Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gws_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A ND2 LYS 39.A O no hydrogen 3.228 N/A ASN 5.A ND2 LEU 38.A O no hydrogen 3.669 N/A ASN 5.A ND2 LYS 43.A O no hydrogen 3.241 N/A ILE 8.A N ASN 5.A O no hydrogen 3.170 N/A THR 9.A N ASN 5.A O no hydrogen 2.839 N/A THR 9.A OG1 ASN 3.A OD1 no hydrogen 3.068 N/A THR 9.A OG1 ASN 5.A O no hydrogen 3.238 N/A THR 9.A OG1 LEU 6.A O no hydrogen 3.080 N/A GLU 10.A N LEU 6.A O no hydrogen 2.821 N/A LEU 12.A N ILE 8.A O no hydrogen 2.839 N/A GLU 13.A N THR 9.A O no hydrogen 2.709 N/A VAL 14.A N GLU 10.A O no hydrogen 3.217 N/A LEU 15.A N LYS 11.A O no hydrogen 3.306 N/A ALA 16.A N LEU 12.A O no hydrogen 3.057 N/A LYS 17.A N GLU 13.A O no hydrogen 3.047 N/A ALA 18.A N VAL 14.A O no hydrogen 3.230 N/A TYR 19.A N LEU 15.A O no hydrogen 3.141 N/A SER 20.A N ALA 16.A O no hydrogen 2.923 N/A VAL 21.A N LYS 17.A O no hydrogen 2.906 N/A GLN 22.A N TYR 19.A O no hydrogen 2.911 N/A GLN 22.A NE2 ALA 18.A O no hydrogen 3.106 N/A GLY 23.A N SER 20.A O no hydrogen 3.079 N/A ASP 24.A N TYR 19.A O no hydrogen 3.179 N/A LYS 25.A N GLY 23.A O no hydrogen 2.501 N/A ARG 27.A NH1 ASP 24.A OD2 no hydrogen 2.754 N/A ALA 28.A N ASP 24.A O no hydrogen 2.945 N/A LEU 29.A N LYS 25.A O no hydrogen 2.891 N/A GLY 30.A N TRP 26.A O no hydrogen 2.877 N/A TYR 31.A N ARG 27.A O no hydrogen 3.032 N/A ALA 32.A N ALA 28.A O no hydrogen 2.988 N/A LYS 33.A N LEU 29.A O no hydrogen 3.040 N/A ALA 34.A N GLY 30.A O no hydrogen 3.214 N/A ILE 35.A N TYR 31.A O no hydrogen 2.717 N/A ASN 36.A N ALA 32.A O no hydrogen 3.029 N/A ALA 37.A N LYS 33.A O no hydrogen 3.201 N/A LEU 38.A N ALA 34.A O no hydrogen 2.975 N/A LYS 39.A N ILE 35.A O no hydrogen 3.045 N/A LYS 39.A NZ GLU 13.A OE2 no hydrogen 3.146 N/A SER 40.A N ASN 36.A O no hydrogen 3.164 N/A SER 40.A OG ASN 36.A O no hydrogen 3.442 N/A SER 40.A OG ALA 37.A O no hydrogen 3.493 N/A PHE 41.A N LEU 38.A O no hydrogen 2.962 N/A LYS 43.A NZ PRO 44.A O no hydrogen 3.214 N/A VAL 45.A N ASN 5.A OD1 no hydrogen 2.841 N/A THR 46.A N GLU 50.A OE1 no hydrogen 2.923 N/A THR 46.A OG1 GLU 50.A OE1 no hydrogen 3.488 N/A GLU 50.A N SER 47.A OG no hydrogen 2.911 N/A ALA 51.A N SER 47.A O no hydrogen 3.004 N/A CYS 52.A N TYR 48.A O no hydrogen 3.074 N/A CYS 52.A SG TYR 48.A O no hydrogen 3.416 N/A SER 53.A N GLU 50.A O no hydrogen 2.855 N/A SER 53.A OG GLU 50.A O no hydrogen 2.433 N/A ILE 54.A N ALA 51.A O no hydrogen 3.086 N/A ILE 57.A N ILE 54.A O no hydrogen 3.019 N/A ALA 62.A N GLY 58.A O no hydrogen 2.920 N/A GLU 63.A N LYS 59.A O no hydrogen 2.881 N/A LYS 64.A N ARG 60.A O no hydrogen 3.415 N/A ILE 65.A N MET 61.A O no hydrogen 2.955 N/A ILE 66.A N ALA 62.A O no hydrogen 2.871 N/A GLU 67.A N GLU 63.A O no hydrogen 2.957 N/A ILE 68.A N LYS 64.A O no hydrogen 3.034 N/A LEU 69.A N ILE 65.A O no hydrogen 2.990 N/A GLU 70.A N ILE 66.A O no hydrogen 3.012 N/A SER 71.A N GLU 67.A O no hydrogen 2.796 N/A SER 71.A OG GLU 67.A O no hydrogen 2.531 N/A GLY 72.A N ILE 68.A O no hydrogen 2.624 N/A HIS 73.A N SER 71.A OG no hydrogen 3.217 N/A ARG 75.A N GLU 67.A OE2 no hydrogen 3.070 N/A LYS 76.A NZ TYR 19.A OH no hydrogen 3.344 N/A LEU 77.A N LEU 74.A O no hydrogen 3.025 N/A ASP 78.A N ARG 75.A O no hydrogen 2.953 N/A HIS 79.A N LYS 76.A O no hydrogen 2.754 N/A ILE 80.A N LEU 77.A O no hydrogen 3.246 N/A SER 81.A OG SER 83.A OG no hydrogen 2.713 N/A SER 83.A N SER 81.A OG no hydrogen 3.251 N/A SER 83.A OG SER 81.A OG no hydrogen 2.713 N/A VAL 84.A N SER 81.A O no hydrogen 3.346 N/A LEU 87.A N SER 83.A O no hydrogen 2.914 N/A GLU 88.A N VAL 84.A O no hydrogen 2.878 N/A LEU 89.A N PRO 85.A O no hydrogen 3.097 N/A PHE 90.A N VAL 86.A O no hydrogen 2.928 N/A SER 91.A N LEU 87.A O no hydrogen 2.983 N/A SER 91.A OG LEU 87.A O no hydrogen 2.889 N/A SER 91.A OG GLU 88.A O no hydrogen 3.220 N/A ASN 92.A N LEU 89.A O no hydrogen 3.339 N/A ASN 92.A ND2 TYR 132.A OH no hydrogen 3.050 N/A ILE 93.A N PHE 90.A O no hydrogen 3.197 N/A ALA 96.A N ILE 93.A O no hydrogen 2.974 N/A ALA 101.A N GLY 97.A O no hydrogen 2.973 N/A GLN 102.A N THR 98.A O no hydrogen 2.821 N/A GLN 102.A NE2 GLN 22.A O no hydrogen 3.555 N/A MET 103.A N LYS 99.A O no hydrogen 2.947 N/A TRP 104.A N THR 100.A O no hydrogen 3.025 N/A TYR 105.A N ALA 101.A O no hydrogen 2.954 N/A GLN 106.A N GLN 102.A O no hydrogen 2.890 N/A GLN 107.A N TRP 104.A O no hydrogen 3.001 N/A GLY 108.A N TYR 105.A O no hydrogen 2.819 N/A PHE 109.A N TRP 104.A O no hydrogen 3.173 N/A ARG 110.A N ASP 114.A OD1 no hydrogen 2.643 N/A ARG 110.A NH1 TYR 105.A O no hydrogen 3.069 N/A ARG 110.A NH1 PHE 109.A O no hydrogen 2.725 N/A SER 111.A N ASP 114.A OD1 no hydrogen 3.041 N/A ASP 114.A N SER 111.A OG no hydrogen 2.939 N/A ILE 115.A N SER 111.A O no hydrogen 3.195 N/A ARG 116.A N LEU 112.A O no hydrogen 3.026 N/A ARG 116.A NE GLU 113.A OE1 no hydrogen 3.211 N/A ARG 116.A NH2 GLU 113.A OE2 no hydrogen 3.066 N/A SER 117.A N GLU 113.A O no hydrogen 2.984 N/A SER 117.A OG GLU 113.A O no hydrogen 3.051 N/A SER 117.A OG GLU 113.A OE2 no hydrogen 2.485 N/A GLN 118.A N ASP 114.A O no hydrogen 2.775 N/A ALA 119.A N ILE 115.A O no hydrogen 3.054 N/A THR 122.A N GLN 125.A OE1 no hydrogen 2.917 N/A GLN 124.A NE2 LEU 213.A O no hydrogen 3.065 N/A GLN 125.A N THR 122.A OG1 no hydrogen 3.052 N/A GLN 125.A NE2 GLY 95.A O no hydrogen 3.197 N/A ALA 126.A N THR 122.A O no hydrogen 2.854 N/A ILE 127.A N THR 123.A O no hydrogen 3.153 N/A GLY 128.A N GLN 124.A O no hydrogen 2.729 N/A LEU 129.A N GLN 125.A O no hydrogen 2.702 N/A LYS 130.A N ALA 126.A O no hydrogen 3.124 N/A LYS 130.A NZ ASP 211.A OD1 no hydrogen 3.099 N/A HIS 131.A NE2 ASP 211.A OD1 no hydrogen 3.251 N/A TYR 132.A N LEU 129.A O no hydrogen 3.141 N/A PHE 135.A N HIS 131.A O no hydrogen 2.814 N/A LEU 136.A N TYR 132.A O no hydrogen 3.026 N/A LEU 136.A N SER 133.A O no hydrogen 3.046 N/A GLU 137.A N ASP 134.A O no hydrogen 3.271 N/A ARG 138.A NE THR 176.A OG1 no hydrogen 2.985 N/A ARG 138.A NH2 THR 176.A O no hydrogen 2.966 N/A MET 139.A N CYS 177.A O no hydrogen 2.760 N/A ARG 141.A N ALA 175.A O no hydrogen 2.810 N/A ARG 141.A NH1 TYR 170.A O no hydrogen 3.018 N/A ARG 141.A NH1 LYS 174.A O no hydrogen 2.808 N/A ARG 141.A NH2 TYR 170.A O no hydrogen 3.302 N/A GLU 143.A N PRO 140.A O no hydrogen 2.934 N/A ALA 144.A N PRO 140.A O no hydrogen 3.282 N/A THR 145.A N ARG 141.A O no hydrogen 2.760 N/A THR 145.A OG1 ARG 141.A O no hydrogen 3.112 N/A THR 145.A OG1 TYR 170.A OH no hydrogen 2.571 N/A GLU 146.A N GLU 142.A O no hydrogen 3.081 N/A ILE 147.A N GLU 143.A O no hydrogen 2.889 N/A GLU 148.A N ALA 144.A O no hydrogen 2.798 N/A GLN 149.A N THR 145.A O no hydrogen 2.873 N/A THR 150.A N GLU 146.A O no hydrogen 2.919 N/A THR 150.A OG1 GLU 146.A O no hydrogen 2.933 N/A VAL 151.A N ILE 147.A O no hydrogen 3.244 N/A GLN 152.A N GLU 148.A O no hydrogen 2.964 N/A GLN 152.A NE2 GLU 148.A OE2 no hydrogen 2.796 N/A LYS 153.A N GLN 149.A O no hydrogen 2.903 N/A ALA 154.A N THR 150.A O no hydrogen 3.216 N/A ALA 155.A N VAL 151.A O no hydrogen 2.914 N/A GLN 156.A N GLN 152.A O no hydrogen 2.773 N/A GLN 156.A NE2 LEU 162.A O no hydrogen 3.137 N/A ALA 157.A N LYS 153.A O no hydrogen 3.212 N/A PHE 158.A N ALA 155.A O no hydrogen 3.026 N/A ASN 159.A N ALA 155.A O no hydrogen 3.356 N/A GLY 161.A N ASN 159.A OD1 no hydrogen 2.819 N/A LEU 162.A N ASN 159.A O no hydrogen 3.118 N/A LEU 163.A N THR 185.A O no hydrogen 2.765 N/A VAL 165.A N LEU 183.A O no hydrogen 2.873 N/A CYS 167.A N ASP 181.A O no hydrogen 2.793 N/A CYS 167.A SG VAL 165.A O no hydrogen 3.816 N/A CYS 167.A SG ASP 181.A O no hydrogen 3.994 N/A GLY 168.A N PHE 258.A O no hydrogen 2.915 N/A TYR 170.A OH THR 145.A OG1 no hydrogen 2.571 N/A ARG 171.A N CYS 167.A O no hydrogen 2.923 N/A ARG 171.A NH1 THR 259.A OG1 no hydrogen 2.776 N/A ARG 171.A NH1 GLU 308.A OE1 no hydrogen 2.950 N/A ARG 171.A NH2 GLU 308.A OE2 no hydrogen 2.892 N/A ARG 172.A N GLY 168.A O no hydrogen 3.198 N/A ARG 172.A NE ASP 326.A OD2 no hydrogen 3.115 N/A ARG 172.A NH1 THR 259.A O no hydrogen 2.906 N/A GLY 173.A N TYR 170.A O no hydrogen 3.045 N/A LYS 174.A N SER 169.A O no hydrogen 3.164 N/A LYS 174.A NZ ASP 326.A OD1 no hydrogen 2.513 N/A LYS 174.A NZ ASP 326.A OD2 no hydrogen 3.215 N/A CYS 177.A N MET 139.A O no hydrogen 2.750 N/A VAL 180.A N ARG 240.A O no hydrogen 3.050 N/A VAL 182.A N ASP 242.A O no hydrogen 2.901 N/A LEU 183.A N VAL 165.A O no hydrogen 2.724 N/A ILE 184.A N ILE 244.A O no hydrogen 2.679 N/A THR 185.A N LEU 163.A O no hydrogen 2.947 N/A THR 185.A OG1 VAL 246.A O no hydrogen 2.856 N/A HIS 186.A NE2 ASN 159.A OD1 no hydrogen 3.073 N/A ASP 188.A N HIS 186.A ND1 no hydrogen 3.050 N/A GLY 189.A N HIS 186.A O no hydrogen 2.961 N/A ARG 190.A N ASP 188.A OD1 no hydrogen 2.632 N/A SER 191.A N ASP 188.A OD1 no hydrogen 2.703 N/A SER 191.A OG ASP 188.A OD2 no hydrogen 2.561 N/A ARG 193.A N ARG 190.A O no hydrogen 3.200 N/A ARG 193.A NH2 GLN 221.A OE1 no hydrogen 3.314 N/A ARG 198.A NE GLY 194.A O no hydrogen 2.849 N/A LEU 199.A N ILE 195.A O no hydrogen 2.897 N/A LEU 199.A N PHE 196.A O no hydrogen 3.180 N/A LEU 200.A N PHE 196.A O no hydrogen 3.074 N/A ASP 201.A N SER 197.A O no hydrogen 2.883 N/A SER 202.A N ARG 198.A O no hydrogen 2.959 N/A LEU 203.A N LEU 199.A O no hydrogen 3.032 N/A ARG 204.A N LEU 200.A O no hydrogen 2.888 N/A ARG 204.A NH2 ASP 212.A OD2 no hydrogen 2.576 N/A GLN 205.A N ASP 201.A O no hydrogen 2.780 N/A GLU 206.A N SER 202.A O no hydrogen 2.995 N/A GLY 207.A N ARG 204.A O no hydrogen 2.782 N/A PHE 208.A N LEU 203.A O no hydrogen 2.966 N/A THR 210.A N VAL 228.A O no hydrogen 2.765 N/A THR 210.A OG1 VAL 228.A O no hydrogen 3.327 N/A ASP 211.A N VAL 228.A O no hydrogen 3.498 N/A LEU 213.A N LEU 226.A O no hydrogen 2.800 N/A VAL 214.A N LEU 226.A O no hydrogen 2.880 N/A GLU 217.A N LYS 224.A O no hydrogen 2.930 N/A ASN 219.A N GLN 222.A O no hydrogen 2.972 N/A GLN 222.A N ASN 219.A O no hydrogen 3.063 N/A GLN 222.A NE2 GLU 250.A OE1 no hydrogen 2.740 N/A GLN 222.A NE2 GLU 281.A O no hydrogen 2.945 N/A GLN 223.A N VAL 245.A O no hydrogen 3.022 N/A LYS 224.A N GLU 217.A O no hydrogen 2.909 N/A TYR 225.A N ILE 243.A O no hydrogen 2.667 N/A TYR 225.A OH ASP 212.A OD1 no hydrogen 2.452 N/A LEU 226.A N VAL 214.A O no hydrogen 3.052 N/A GLY 227.A N LEU 241.A O no hydrogen 2.823 N/A VAL 228.A N ASP 211.A O no hydrogen 2.763 N/A CYS 229.A N ARG 239.A O no hydrogen 2.864 N/A CYS 229.A SG ARG 239.A O no hydrogen 3.836 N/A ARG 230.A N PHE 208.A O no hydrogen 3.087 N/A ARG 236.A NE PRO 232.A O no hydrogen 3.261 N/A ARG 236.A NH1 GLU 146.A OE2 no hydrogen 3.147 N/A ARG 236.A NH2 GLU 146.A OE1 no hydrogen 2.820 N/A ARG 236.A NH2 GLU 146.A OE2 no hydrogen 3.519 N/A ARG 237.A NH1 ASP 134.A OD1 no hydrogen 2.586 N/A HIS 238.A N ASP 134.A OD2 no hydrogen 3.000 N/A ARG 239.A N CYS 229.A O no hydrogen 2.726 N/A ARG 239.A NE GLU 143.A OE2 no hydrogen 2.747 N/A ARG 239.A NH2 GLU 143.A OE1 no hydrogen 2.964 N/A ARG 239.A NH2 GLU 143.A OE2 no hydrogen 3.453 N/A ARG 240.A NH1 GLY 227.A O no hydrogen 2.953 N/A ARG 240.A NH1 ASP 242.A OD2 no hydrogen 2.944 N/A ARG 240.A NH2 ASP 242.A OD2 no hydrogen 3.115 N/A LEU 241.A N GLY 227.A O no hydrogen 3.019 N/A ASP 242.A N VAL 180.A O no hydrogen 2.817 N/A ILE 243.A N TYR 225.A O no hydrogen 2.844 N/A ILE 244.A N VAL 182.A O no hydrogen 2.983 N/A VAL 245.A N GLN 223.A O no hydrogen 2.870 N/A VAL 246.A N ILE 184.A O no hydrogen 2.869 N/A GLU 250.A N PRO 247.A O no hydrogen 2.946 N/A PHE 251.A N TYR 248.A O no hydrogen 3.070 N/A CYS 253.A SG THR 305.A OG1 no hydrogen 3.659 N/A ALA 254.A N GLU 250.A O no hydrogen 2.824 N/A LEU 255.A N PHE 251.A O no hydrogen 2.693 N/A LEU 256.A N ALA 252.A O no hydrogen 2.817 N/A TYR 257.A N CYS 253.A O no hydrogen 2.943 N/A PHE 258.A N ALA 254.A O no hydrogen 2.916 N/A THR 259.A N LEU 255.A O no hydrogen 3.092 N/A THR 259.A N LEU 256.A O no hydrogen 3.347 N/A THR 259.A OG1 LEU 255.A O no hydrogen 2.717 N/A GLY 260.A N LEU 256.A O no hydrogen 3.264 N/A SER 261.A N ARG 325.A O no hydrogen 2.932 N/A SER 261.A OG ARG 325.A O no hydrogen 3.398 N/A SER 261.A OG ASP 326.A O no hydrogen 2.622 N/A PHE 264.A N SER 261.A OG no hydrogen 3.388 N/A ASN 265.A N SER 261.A O no hydrogen 2.925 N/A ASN 265.A ND2 TYR 257.A O no hydrogen 2.804 N/A ARG 266.A N ALA 262.A O no hydrogen 2.994 N/A SER 267.A N HIS 263.A O no hydrogen 2.958 N/A SER 267.A OG PHE 264.A O no hydrogen 2.821 N/A MET 268.A N PHE 264.A O no hydrogen 2.955 N/A ARG 269.A N ASN 265.A O no hydrogen 3.021 N/A ALA 270.A N ARG 266.A O no hydrogen 3.140 N/A LEU 271.A N SER 267.A O no hydrogen 3.046 N/A ALA 272.A N MET 268.A O no hydrogen 2.910 N/A LYS 273.A N ARG 269.A O no hydrogen 2.945 N/A THR 274.A N ALA 270.A O no hydrogen 3.299 N/A THR 274.A OG1 LEU 271.A O no hydrogen 2.759 N/A LYS 275.A N LEU 271.A O no hydrogen 3.271 N/A LYS 275.A N ALA 272.A O no hydrogen 2.960 N/A GLY 276.A N LYS 273.A O no hydrogen 2.743 N/A MET 277.A N ALA 272.A O no hydrogen 2.803 N/A SER 278.A N SER 285.A O no hydrogen 2.771 N/A SER 280.A N ALA 283.A O no hydrogen 3.059 N/A GLU 281.A N GLU 281.A OE1 no hydrogen 3.187 N/A HIS 282.A N SER 280.A OG no hydrogen 2.962 N/A HIS 282.A ND1 GLU 250.A OE1 no hydrogen 2.985 N/A HIS 282.A NE2 ASN 219.A OD1 no hydrogen 2.498 N/A ALA 283.A N SER 280.A OG no hydrogen 3.284 N/A SER 285.A N SER 278.A O no hydrogen 2.912 N/A THR 286.A N ARG 301.A O.A no hydrogen 2.981 N/A THR 286.A N ARG 301.A O.B no hydrogen 2.985 N/A ALA 287.A N GLY 276.A O no hydrogen 2.894 N/A VAL 289.A N GLY 298.A O no hydrogen 2.723 N/A ASN 291.A N CYS 295.A O no hydrogen 3.154 N/A GLY 294.A N ASN 291.A O no hydrogen 2.562 N/A CYS 295.A N ASN 291.A OD1 no hydrogen 3.093 N/A CYS 295.A SG HIS 293.A O no hydrogen 3.632 N/A VAL 297.A N VAL 289.A O no hydrogen 2.641 N/A GLY 298.A N VAL 289.A O no hydrogen 3.112 N/A ARG 301.A N.A THR 286.A OG1 no hydrogen 2.834 N/A ARG 301.A N.B THR 286.A OG1 no hydrogen 2.846 N/A LEU 303.A N LEU 284.A O no hydrogen 2.794 N/A THR 307.A N ASP 310.A OD2 no hydrogen 3.013 N/A THR 307.A OG1 ASP 310.A OD2 no hydrogen 3.012 N/A ASP 310.A N THR 307.A O no hydrogen 2.929 N/A VAL 311.A N GLU 308.A O no hydrogen 2.739 N/A PHE 312.A N GLU 308.A O no hydrogen 3.196 N/A ARG 313.A N LYS 309.A O no hydrogen 2.809 N/A ARG 313.A NH2 ASP 310.A OD1 no hydrogen 2.994 N/A LEU 314.A N ASP 310.A O no hydrogen 3.121 N/A LEU 315.A N VAL 311.A O no hydrogen 3.157 N/A LEU 315.A N PHE 312.A O no hydrogen 3.014 N/A GLY 316.A N ARG 313.A O no hydrogen 2.767 N/A LEU 317.A N PHE 312.A O no hydrogen 2.767 N/A ARG 320.A NH2 GLU 324.A O.A no hydrogen 2.603 N/A ARG 320.A NH2 GLU 324.A O.B no hydrogen 2.595 N/A ARG 320.A NH2 TRP 327.A OXT no hydrogen 2.545 N/A GLU 321.A N GLU 324.A OE1.B no hydrogen 3.381 N/A GLU 324.A N.A GLU 321.A O no hydrogen 2.740 N/A GLU 324.A N.B GLU 321.A O no hydrogen 2.734 N/A ARG 325.A N PRO 322.A O no hydrogen 2.914 N/A ARG 325.A NE ARG 320.A O no hydrogen 3.064 N/A ARG 325.A NH1 GLU 308.A OE1 no hydrogen 2.938 N/A ARG 325.A NH2 GLU 308.A OE2 no hydrogen 2.957 N/A ARG 325.A NH2 ARG 320.A O no hydrogen 3.051 N/A