Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gjw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASP 130.A OD2 no hydrogen 2.988 N/A LEU 4.A N SER 2.A OG no hydrogen 3.064 N/A VAL 8.A N PRO 5.A O no hydrogen 3.078 N/A GLN 9.A N PRO 5.A O no hydrogen 3.127 N/A GLN 9.A NE2 LEU 4.A O no hydrogen 2.919 N/A ASP 10.A N LYS 6.A O no hydrogen 2.782 N/A LEU 11.A N PRO 7.A O no hydrogen 3.130 N/A ILE 12.A N VAL 8.A O no hydrogen 3.080 N/A LYS 13.A N GLN 9.A O no hydrogen 3.173 N/A LYS 13.A NZ ASP 10.A OD1 no hydrogen 2.480 N/A MET 14.A N ASP 10.A O no hydrogen 3.171 N/A ILE 15.A N LEU 11.A O no hydrogen 3.020 N/A PHE 16.A N ILE 12.A O no hydrogen 3.106 N/A PHE 16.A N LYS 13.A O no hydrogen 3.072 N/A SER 20.A OG ASP 17.A OD2 no hydrogen 2.702 N/A LYS 22.A N VAL 18.A O no hydrogen 3.028 N/A LYS 23.A N GLU 19.A O no hydrogen 2.833 N/A ALA 24.A N SER 20.A O no hydrogen 3.000 N/A MET 25.A N MET 21.A O no hydrogen 3.210 N/A MET 25.A N LYS 22.A O no hydrogen 3.137 N/A VAL 26.A N LYS 22.A O no hydrogen 2.855 N/A GLU 27.A N LYS 23.A O no hydrogen 2.905 N/A TYR 28.A N MET 25.A O no hydrogen 2.624 N/A GLU 29.A N VAL 26.A O no hydrogen 2.526 N/A ILE 30.A N MET 25.A O no hydrogen 3.105 N/A ASP 31.A N PRO 80.A O no hydrogen 3.035 N/A GLN 33.A N ASP 31.A OD2 no hydrogen 3.206 N/A LYS 34.A NZ ASP 31.A OD1 no hydrogen 3.492 N/A MET 35.A N ASP 31.A O no hydrogen 2.939 N/A LYS 39.A N PRO 36.A O no hydrogen 2.969 N/A LEU 40.A N LEU 37.A O no hydrogen 2.945 N/A SER 41.A N GLN 44.A OE1 no hydrogen 3.304 N/A GLN 44.A N SER 41.A O no hydrogen 3.168 N/A GLN 44.A N SER 41.A OG no hydrogen 3.281 N/A GLN 44.A NE2 LEU 78.A O no hydrogen 3.697 N/A ILE 45.A N SER 41.A O no hydrogen 3.263 N/A GLN 46.A N LYS 42.A O no hydrogen 2.786 N/A ALA 47.A N ARG 43.A O no hydrogen 3.347 N/A ALA 48.A N GLN 44.A O no hydrogen 3.279 N/A TYR 49.A N ILE 45.A O no hydrogen 2.998 N/A TYR 49.A OH ASP 105.A OD1 no hydrogen 2.445 N/A SER 50.A N GLN 46.A O no hydrogen 3.051 N/A SER 50.A OG GLN 46.A O no hydrogen 3.243 N/A ILE 51.A N ALA 47.A O no hydrogen 3.036 N/A LEU 52.A N ALA 48.A O no hydrogen 2.887 N/A SER 53.A N TYR 49.A O no hydrogen 2.885 N/A SER 53.A OG TYR 49.A O no hydrogen 3.080 N/A SER 53.A OG GLU 222.A O no hydrogen 2.574 N/A GLU 54.A N SER 50.A O no hydrogen 2.956 N/A VAL 55.A N ILE 51.A O no hydrogen 2.935 N/A VAL 55.A N LEU 52.A O no hydrogen 3.246 N/A GLN 56.A N LEU 52.A O no hydrogen 3.133 N/A GLN 57.A N SER 53.A O no hydrogen 3.264 N/A ALA 58.A N GLU 54.A O no hydrogen 3.224 N/A VAL 59.A N VAL 55.A O no hydrogen 2.727 N/A SER 60.A N GLN 56.A O no hydrogen 2.767 N/A GLN 61.A N GLN 57.A O no hydrogen 2.966 N/A GLY 62.A N ALA 58.A O no hydrogen 2.690 N/A SER 63.A N ALA 58.A O no hydrogen 3.027 N/A SER 63.A OG ALA 58.A O no hydrogen 3.112 N/A GLN 67.A NE2 SER 64.A O no hydrogen 3.140 N/A ILE 68.A N ASP 65.A O no hydrogen 2.415 N/A ASP 70.A N SER 66.A O no hydrogen 3.061 N/A LEU 71.A N GLN 67.A O no hydrogen 3.084 N/A SER 72.A N ILE 68.A O no hydrogen 2.868 N/A ASN 73.A N LEU 69.A O no hydrogen 3.040 N/A ARG 74.A N ASP 70.A O no hydrogen 2.813 N/A ARG 74.A NH1 GLU 54.A OE2 no hydrogen 3.229 N/A PHE 75.A N LEU 71.A O no hydrogen 3.177 N/A TYR 76.A N SER 72.A O no hydrogen 3.198 N/A TYR 76.A OH PRO 89.A O no hydrogen 2.819 N/A THR 77.A N ASN 73.A O no hydrogen 3.031 N/A THR 77.A N ARG 74.A O no hydrogen 3.266 N/A THR 77.A OG1 ASN 73.A O no hydrogen 2.741 N/A LEU 78.A N ARG 74.A O no hydrogen 3.181 N/A LEU 78.A N PHE 75.A O no hydrogen 3.254 N/A ILE 79.A N PHE 75.A O no hydrogen 2.896 N/A ASP 82.A N GLU 29.A O no hydrogen 2.804 N/A LEU 91.A N SER 72.A OG no hydrogen 2.977 N/A SER 96.A N ASN 93.A OD1 no hydrogen 2.911 N/A SER 96.A OG LEU 90.A O no hydrogen 3.519 N/A GLN 98.A N ALA 94.A O no hydrogen 3.176 N/A ALA 99.A N ASP 95.A O no hydrogen 3.125 N/A LYS 100.A NZ SER 96.A O no hydrogen 3.501 N/A ALA 101.A N VAL 97.A O no hydrogen 2.649 N/A GLU 102.A N GLN 98.A O no hydrogen 2.888 N/A MET 103.A N ALA 99.A O no hydrogen 3.120 N/A LEU 104.A N LYS 100.A O no hydrogen 3.025 N/A ASP 105.A N ALA 101.A O no hydrogen 3.252 N/A ASN 106.A N GLU 102.A O no hydrogen 3.448 N/A LEU 107.A N MET 103.A O no hydrogen 2.884 N/A LEU 108.A N LEU 104.A O no hydrogen 2.840 N/A LEU 108.A N ASP 105.A O no hydrogen 3.183 N/A ASP 109.A N ASP 105.A O no hydrogen 3.115 N/A ILE 110.A N ASN 106.A O no hydrogen 2.805 N/A GLU 111.A N LEU 107.A O no hydrogen 3.111 N/A VAL 112.A N LEU 108.A O no hydrogen 2.871 N/A ALA 113.A N ASP 109.A O no hydrogen 2.820 N/A TYR 114.A N ILE 110.A O no hydrogen 2.712 N/A SER 115.A N GLU 111.A O no hydrogen 2.991 N/A LEU 116.A N VAL 112.A O no hydrogen 3.126 N/A LEU 117.A N ALA 113.A O no hydrogen 3.021 N/A ARG 118.A N TYR 114.A O no hydrogen 2.892 N/A ARG 118.A NE TYR 114.A OH no hydrogen 2.901 N/A GLY 119.A N LEU 116.A O no hydrogen 3.197 N/A SER 125.A N ASP 123.A OD2 no hydrogen 2.465 N/A LYS 126.A N ASP 123.A OD2 no hydrogen 3.296 N/A LYS 126.A NZ GLU 134.A OE1 no hydrogen 2.297 N/A ASP 130.A N ASP 127.A O no hydrogen 2.721 N/A VAL 131.A N ASP 127.A O no hydrogen 3.173 N/A ASN 132.A N PRO 128.A O no hydrogen 2.506 N/A TYR 133.A N ILE 129.A O no hydrogen 2.813 N/A GLU 134.A N ASP 130.A O no hydrogen 3.176 N/A LYS 135.A N VAL 131.A O no hydrogen 3.207 N/A LYS 135.A N ASN 132.A O no hydrogen 3.078 N/A LYS 135.A NZ ASN 132.A OD1 no hydrogen 2.362 N/A LEU 136.A N TYR 133.A O no hydrogen 2.888 N/A THR 138.A OG1 LEU 136.A O no hydrogen 3.435 N/A THR 138.A OG1 LEU 212.A O no hydrogen 3.355 N/A ASP 139.A N GLU 179.A O no hydrogen 2.815 N/A ILE 140.A N TYR 133.A OH no hydrogen 3.072 N/A LYS 141.A N LYS 177.A O no hydrogen 3.282 N/A LYS 141.A NZ ASP 139.A OD2 no hydrogen 3.443 N/A VAL 143.A N ILE 175.A O no hydrogen 2.933 N/A ALA 150.A N SER 147.A OG no hydrogen 2.913 N/A GLU 151.A N SER 147.A O no hydrogen 2.964 N/A ILE 152.A N GLU 148.A O no hydrogen 2.897 N/A ILE 153.A N GLU 149.A O no hydrogen 2.934 N/A ARG 154.A N ALA 150.A O no hydrogen 2.845 N/A ARG 154.A NH1 ARG 145.A O no hydrogen 2.928 N/A ARG 154.A NH2 ARG 145.A O no hydrogen 3.135 N/A LYS 155.A N GLU 151.A O no hydrogen 2.987 N/A TYR 156.A N ILE 152.A O no hydrogen 2.923 N/A TYR 156.A OH LEU 198.A O no hydrogen 2.922 N/A VAL 157.A N ILE 153.A O no hydrogen 3.056 N/A LYS 158.A N ARG 154.A O no hydrogen 2.865 N/A ASN 159.A N LYS 155.A O no hydrogen 2.719 N/A THR 160.A N TYR 156.A O no hydrogen 3.152 N/A THR 160.A OG1 TYR 156.A O no hydrogen 2.547 N/A HIS 161.A N LYS 158.A O no hydrogen 3.360 N/A HIS 161.A ND1 SER 241.A OG no hydrogen 3.217 N/A HIS 161.A NE2 TYR 168.A O no hydrogen 3.035 N/A ASN 166.A ND2 HIS 161.A NE2 no hydrogen 2.766 N/A ALA 167.A N HIS 165.A O no hydrogen 2.886 N/A ASP 169.A N ASN 347.A O no hydrogen 2.889 N/A GLU 171.A N LYS 345.A O no hydrogen 3.034 N/A ILE 173.A N LYS 343.A O no hydrogen 3.088 N/A ASP 174.A N LYS 343.A O no hydrogen 3.483 N/A PHE 176.A N LEU 341.A O no hydrogen 2.745 N/A LYS 177.A N LYS 141.A O no hydrogen 3.019 N/A ILE 178.A N LYS 339.A O no hydrogen 2.792 N/A GLU 179.A N ASP 139.A O no hydrogen 3.182 N/A ARG 180.A NE GLU 183.A OE2 no hydrogen 3.063 N/A ARG 180.A NH2 GLU 183.A OE2 no hydrogen 3.133 N/A GLU 181.A N LYS 137.A O no hydrogen 2.540 N/A GLU 183.A N ARG 180.A O no hydrogen 3.141 N/A CYS 184.A N GLY 182.A O no hydrogen 2.335 N/A CYS 184.A SG GLY 182.A O no hydrogen 2.796 N/A GLN 185.A N GLY 182.A O no hydrogen 3.272 N/A ARG 186.A NH2 VAL 336.A O no hydrogen 3.441 N/A TYR 187.A OH GLU 262.A OE2 no hydrogen 2.382 N/A LYS 188.A N CYS 184.A O no hydrogen 2.764 N/A LYS 191.A N LYS 188.A O no hydrogen 2.581 N/A GLN 192.A N PRO 189.A O no hydrogen 3.337 N/A ASN 195.A ND2 GLY 266.A O no hydrogen 2.291 N/A ARG 197.A N VAL 263.A O no hydrogen 3.011 N/A ARG 197.A NE ASN 195.A OD1 no hydrogen 2.904 N/A ARG 197.A NH2 ASN 195.A OD1 no hydrogen 3.268 N/A LEU 198.A N ASP 307.A O no hydrogen 2.728 N/A LEU 199.A N GLY 261.A O no hydrogen 2.907 N/A TRP 200.A N ALA 237.A O no hydrogen 2.807 N/A HIS 201.A N LEU 259.A O no hydrogen 2.743 N/A THR 206.A OG1 ASN 106.A OD1 no hydrogen 3.360 N/A ASN 207.A N ARG 204.A O no hydrogen 3.039 N/A ASN 207.A ND2 SER 203.A OG no hydrogen 3.399 N/A PHE 208.A N THR 205.A O no hydrogen 3.486 N/A ILE 211.A N ASN 207.A O no hydrogen 3.107 N/A LEU 212.A N PHE 208.A O no hydrogen 2.908 N/A SER 213.A N ALA 209.A O no hydrogen 3.243 N/A SER 213.A OG ALA 209.A O no hydrogen 2.471 N/A SER 213.A OG GLY 210.A O no hydrogen 2.831 N/A GLN 214.A N GLY 210.A O no hydrogen 2.824 N/A ARG 217.A NE GLY 215.A O no hydrogen 2.668 N/A ARG 217.A NH2 GLY 215.A O no hydrogen 2.942 N/A GLU 222.A N GLU 222.A OE2 no hydrogen 3.121 N/A ALA 223.A N PRO 220.A O no hydrogen 3.115 N/A PHE 230.A N TYR 235.A OH no hydrogen 2.878 N/A LYS 232.A NZ PRO 220.A O no hydrogen 3.014 N/A LYS 232.A NZ ALA 223.A O no hydrogen 2.719 N/A ILE 234.A N VAL 330.A O no hydrogen 2.877 N/A TYR 235.A OH GLY 231.A O no hydrogen 2.533 N/A PHE 236.A N TYR 328.A O no hydrogen 2.774 N/A ALA 237.A N TRP 200.A O no hydrogen 3.136 N/A VAL 240.A N THR 160.A OG1 no hydrogen 3.019 N/A SER 241.A OG THR 160.A O no hydrogen 3.468 N/A SER 241.A OG HIS 161.A ND1 no hydrogen 3.217 N/A LYS 242.A N MET 239.A O no hydrogen 3.093 N/A LYS 242.A NZ GLU 327.A OE2 no hydrogen 3.404 N/A ALA 244.A N VAL 240.A O no hydrogen 2.774 N/A TYR 246.A N SER 243.A O no hydrogen 2.940 N/A CYS 247.A N ALA 244.A O no hydrogen 3.296 N/A CYS 247.A SG ALA 244.A O no hydrogen 3.686 N/A CYS 247.A SG LEU 257.A O no hydrogen 3.555 N/A SER 250.A N ASP 253.A O no hydrogen 2.959 N/A GLY 256.A N LEU 344.A O no hydrogen 2.933 N/A ILE 258.A N LEU 342.A O no hydrogen 2.926 N/A LEU 259.A N HIS 201.A O no hydrogen 2.791 N/A LEU 260.A N TYR 340.A O no hydrogen 2.898 N/A GLY 261.A N LEU 199.A O no hydrogen 2.895 N/A GLU 262.A N ASN 337.A O no hydrogen 2.909 N/A VAL 263.A N ARG 197.A O no hydrogen 2.862 N/A ALA 264.A N GLN 335.A O no hydrogen 3.023 N/A LEU 265.A N ASN 195.A O no hydrogen 3.225 N/A GLY 266.A N HIS 194.A O no hydrogen 3.346 N/A ASN 267.A ND2 GLY 283.A O no hydrogen 2.900 N/A TYR 269.A N SER 286.A O no hydrogen 2.662 N/A LEU 271.A N LYS 288.A O no hydrogen 2.911 N/A LYS 272.A NZ ASP 320.A OD2 no hydrogen 2.287 N/A HIS 273.A ND1 SER 322.A OG no hydrogen 2.575 N/A SER 275.A N MET 229.A O no hydrogen 2.992 N/A SER 275.A OG HIS 273.A O no hydrogen 3.121 N/A LYS 284.A N PRO 281.A O no hydrogen 3.093 N/A LYS 284.A NZ MET 268.A O no hydrogen 2.627 N/A HIS 285.A N ASN 267.A O no hydrogen 2.844 N/A SER 286.A OG LEU 265.A O no hydrogen 2.696 N/A VAL 287.A N ILE 329.A O no hydrogen 3.063 N/A LYS 288.A N TYR 269.A O no hydrogen 2.853 N/A GLY 289.A N GLU 327.A O no hydrogen 2.632 N/A LEU 290.A N LEU 271.A O no hydrogen 2.860 N/A GLY 291.A N ASN 326.A OD1 no hydrogen 3.100 N/A LYS 292.A N LEU 323.A O no hydrogen 3.027 N/A THR 293.A N LEU 324.A O no hydrogen 2.905 N/A THR 293.A OG1 LEU 324.A O no hydrogen 2.726 N/A THR 294.A N ILE 314.A O no hydrogen 3.019 N/A ASP 296.A N THR 312.A O no hydrogen 2.832 N/A SER 298.A OG ASP 296.A OD2 no hydrogen 3.298 N/A ALA 299.A N ASP 296.A O no hydrogen 3.200 N/A ASN 300.A N PRO 297.A O no hydrogen 3.381 N/A ILE 301.A N VAL 308.A O no hydrogen 3.035 N/A LEU 303.A N VAL 306.A O no hydrogen 2.260 N/A VAL 306.A N LEU 303.A O no hydrogen 2.300 N/A ASP 307.A N ARG 196.A O no hydrogen 2.801 N/A VAL 308.A N ILE 301.A O no hydrogen 2.895 N/A LEU 310.A N VAL 308.A O no hydrogen 3.123 N/A THR 312.A OG1 ASN 159.A O no hydrogen 3.543 N/A ILE 314.A N THR 294.A O no hydrogen 2.800 N/A SER 315.A OG SER 316.A O no hydrogen 3.179 N/A SER 316.A N LYS 292.A O no hydrogen 2.612 N/A SER 316.A OG GLY 291.A O no hydrogen 2.708 N/A SER 316.A OG LYS 292.A O no hydrogen 2.948 N/A THR 321.A OG1 LYS 272.A O no hydrogen 3.159 N/A THR 321.A OG1 LEU 290.A O no hydrogen 2.456 N/A SER 322.A N LYS 272.A O no hydrogen 3.259 N/A SER 322.A OG LYS 272.A O no hydrogen 3.443 N/A SER 322.A OG HIS 273.A ND1 no hydrogen 2.575 N/A LEU 323.A N THR 321.A OG1 no hydrogen 3.179 N/A ASN 326.A ND2 ASP 238.A OD2 no hydrogen 2.891 N/A GLU 327.A N GLY 289.A O no hydrogen 3.035 N/A TYR 328.A N PHE 236.A O no hydrogen 2.859 N/A TYR 328.A OH ASP 238.A OD2 no hydrogen 3.185 N/A ILE 329.A N VAL 287.A O no hydrogen 2.850 N/A VAL 330.A N ILE 234.A O no hydrogen 3.145 N/A TYR 331.A OH PHE 230.A O no hydrogen 2.839 N/A ALA 334.A N ASP 332.A OD1 no hydrogen 2.885 N/A GLN 335.A N ASP 332.A O no hydrogen 3.249 N/A GLN 335.A NE2 ALA 264.A O no hydrogen 2.816 N/A GLN 335.A NE2 HIS 285.A O no hydrogen 3.227 N/A VAL 336.A N ILE 333.A O no hydrogen 3.324 N/A ASN 337.A N GLU 262.A O no hydrogen 2.897 N/A ASN 337.A ND2 LEU 338.A O no hydrogen 3.464 N/A LEU 338.A N GLU 183.A OE2 no hydrogen 3.397 N/A LYS 339.A N LEU 260.A O no hydrogen 2.908 N/A TYR 340.A N LEU 260.A O no hydrogen 2.927 N/A TYR 340.A OH GLU 149.A OE2 no hydrogen 2.551 N/A LEU 341.A N PHE 176.A O no hydrogen 2.774 N/A LEU 342.A N ILE 258.A O no hydrogen 2.692 N/A LYS 343.A N ASP 174.A O no hydrogen 2.856 N/A LEU 344.A N GLY 256.A O no hydrogen 2.967 N/A LYS 345.A N GLU 171.A O no hydrogen 2.885 N/A PHE 346.A N PRO 254.A O no hydrogen 2.634 N/A ASN 347.A N ASP 169.A O no hydrogen 2.888 N/A LYS 349.A N ALA 167.A O no hydrogen 2.965 N/A