Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4crs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A NE2 THR 306.A O no hydrogen 2.810 N/A PHE 7.A N GLN 4.A O no hydrogen 3.409 N/A LEU 11.A N PHE 14.A O no hydrogen 3.065 N/A GLN 12.A NE2 ASP 13.A OD2 no hydrogen 3.485 N/A PHE 14.A N LEU 11.A O no hydrogen 3.040 N/A ARG 15.A N GLU 32.A O no hydrogen 2.934 N/A ARG 15.A NH2 GLU 32.A OE1 no hydrogen 2.715 N/A ARG 15.A NH2 GLU 296.A OE2 no hydrogen 3.276 N/A CYS 16.A N PHE 9.A O no hydrogen 3.003 N/A CYS 17.A N LEU 30.A O no hydrogen 2.952 N/A CYS 17.A SG LEU 30.A O no hydrogen 3.710 N/A LEU 20.A N VAL 28.A O no hydrogen 2.959 N/A LEU 21.A N VAL 28.A O no hydrogen 3.320 N/A LYS 27.A N ALA 44.A O no hydrogen 3.191 N/A LYS 27.A NZ ILE 311.A O no hydrogen 2.786 N/A VAL 28.A N LEU 21.A O no hydrogen 2.723 N/A LEU 29.A N ILE 42.A O no hydrogen 2.771 N/A LEU 30.A N ALA 18.A O no hydrogen 2.685 N/A ALA 31.A N PHE 40.A O no hydrogen 2.912 N/A GLU 32.A N ARG 15.A O no hydrogen 2.976 N/A TYR 33.A N GLU 38.A O no hydrogen 3.183 N/A LYS 34.A N ASP 13.A O no hydrogen 2.864 N/A THR 36.A N TYR 33.A O no hydrogen 3.163 N/A THR 36.A OG1 TYR 33.A O no hydrogen 2.881 N/A THR 36.A OG1 GLU 38.A OE2 no hydrogen 3.036 N/A ASN 37.A N GLU 32.A OE2 no hydrogen 3.289 N/A GLU 38.A N THR 36.A OG1 no hydrogen 3.201 N/A PHE 40.A N ALA 31.A O no hydrogen 3.038 N/A ALA 41.A N MET 94.A O no hydrogen 3.031 N/A ILE 42.A N LEU 29.A O no hydrogen 2.742 N/A LYS 43.A N PHE 92.A O no hydrogen 2.979 N/A LYS 43.A NZ GLU 62.A OE2 no hydrogen 2.748 N/A LYS 43.A NZ ASP 156.A OD1 no hydrogen 3.532 N/A ALA 44.A N LYS 27.A O no hydrogen 2.716 N/A LEU 45.A N VAL 90.A O no hydrogen 2.834 N/A LYS 47.A N GLU 88.A O no hydrogen 2.848 N/A LYS 47.A NZ GLN 85.A OE1 no hydrogen 2.626 N/A LYS 47.A NZ LYS 87.A O no hydrogen 3.487 N/A ILE 50.A N LYS 46.A O no hydrogen 3.214 N/A VAL 51.A N LYS 47.A O no hydrogen 3.101 N/A ALA 52.A N GLY 48.A O no hydrogen 2.881 N/A ARG 53.A N ASP 49.A O no hydrogen 3.177 N/A ARG 53.A N ILE 50.A O no hydrogen 3.040 N/A ASP 54.A N VAL 51.A O no hydrogen 2.855 N/A GLU 55.A N ILE 50.A O no hydrogen 3.214 N/A VAL 56.A N ASP 54.A OD1 no hydrogen 3.507 N/A SER 58.A OG GLY 158.A O no hydrogen 3.381 N/A LEU 59.A N GLU 55.A O no hydrogen 3.063 N/A MET 60.A N VAL 56.A O no hydrogen 3.048 N/A CYS 61.A N ASP 57.A O no hydrogen 2.805 N/A CYS 61.A SG CYS 160.A O no hydrogen 3.742 N/A CYS 61.A SG GLU 162.A OE1 no hydrogen 3.317 N/A GLU 62.A N SER 58.A O no hydrogen 3.168 N/A LYS 63.A N LEU 59.A O no hydrogen 3.130 N/A LYS 63.A NZ PHE 324.A O no hydrogen 2.949 N/A ARG 64.A N MET 60.A O no hydrogen 3.053 N/A ILE 65.A N CYS 61.A O no hydrogen 2.980 N/A PHE 66.A N GLU 62.A O no hydrogen 3.289 N/A GLU 67.A N LYS 63.A O no hydrogen 3.107 N/A THR 68.A N ARG 64.A O no hydrogen 2.965 N/A THR 68.A OG1 ARG 64.A O no hydrogen 3.228 N/A VAL 69.A N ILE 65.A O no hydrogen 2.885 N/A ASN 70.A N PHE 66.A O no hydrogen 2.771 N/A ASN 70.A ND2 LEU 80.A O no hydrogen 2.614 N/A ASN 70.A ND2 TYR 326.A OH no hydrogen 3.499 N/A SER 71.A N GLU 67.A O no hydrogen 2.978 N/A SER 71.A OG THR 68.A O no hydrogen 2.657 N/A ARG 73.A N ASN 70.A O no hydrogen 2.897 N/A ARG 73.A NE ASN 79.A OD1 no hydrogen 3.601 N/A HIS 74.A N VAL 69.A O no hydrogen 3.277 N/A LEU 77.A N HIS 74.A O no hydrogen 3.411 N/A VAL 78.A N ILE 154.A O no hydrogen 3.143 N/A ASN 79.A N GLU 95.A OE2 no hydrogen 3.180 N/A ASN 79.A ND2 HIS 74.A O no hydrogen 3.174 N/A ASN 79.A ND2 GLU 95.A OE2 no hydrogen 2.625 N/A LEU 80.A N ASN 70.A OD1 no hydrogen 2.935 N/A PHE 81.A N VAL 93.A O no hydrogen 2.861 N/A ALA 82.A N VAL 93.A O no hydrogen 3.320 N/A CYS 83.A N TYR 326.A O no hydrogen 3.070 N/A CYS 83.A SG PHE 324.A O no hydrogen 3.681 N/A PHE 84.A N CYS 91.A O no hydrogen 2.970 N/A GLN 85.A NE2 PHE 321.A O no hydrogen 3.073 N/A GLN 85.A NE2 ASP 325.A OD1 no hydrogen 3.312 N/A THR 86.A N HIS 89.A O no hydrogen 2.844 N/A THR 86.A OG1 THR 86.A O no hydrogen 2.497 N/A LYS 87.A NZ GLU 88.A OE2 no hydrogen 3.167 N/A GLU 88.A N THR 86.A O no hydrogen 2.364 N/A HIS 89.A N THR 86.A O no hydrogen 3.153 N/A VAL 90.A N LEU 45.A O no hydrogen 2.852 N/A CYS 91.A N PHE 84.A O no hydrogen 2.736 N/A PHE 92.A N LYS 43.A O no hydrogen 2.854 N/A VAL 93.A N ALA 82.A O no hydrogen 2.601 N/A MET 94.A N ALA 41.A O no hydrogen 2.919 N/A GLU 95.A N ASN 79.A O no hydrogen 2.939 N/A GLY 99.A N LEU 146.A O no hydrogen 2.807 N/A GLY 100.A N ALA 97.A O no hydrogen 3.510 N/A LEU 102.A N LEU 144.A O no hydrogen 2.884 N/A MET 104.A N ASP 101.A OD1 no hydrogen 2.976 N/A HIS 105.A NE2 GLY 99.A O no hydrogen 2.517 N/A ILE 106.A N LEU 102.A O no hydrogen 2.860 N/A HIS 107.A N MET 104.A O no hydrogen 2.852 N/A THR 108.A OG1 HIS 107.A O no hydrogen 2.616 N/A ASP 109.A N ILE 106.A O no hydrogen 2.623 N/A PHE 111.A N MET 205.A O no hydrogen 2.971 N/A ARG 114.A NE TYR 118.A OH no hydrogen 2.871 N/A ARG 114.A NH2 TYR 118.A OH no hydrogen 3.136 N/A VAL 116.A N GLU 112.A O no hydrogen 2.875 N/A TYR 118.A N ARG 114.A O no hydrogen 3.073 N/A ALA 119.A N ALA 115.A O no hydrogen 2.851 N/A ALA 120.A N VAL 116.A O no hydrogen 2.823 N/A CYS 121.A N PHE 117.A O no hydrogen 2.945 N/A CYS 121.A SG PHE 117.A O no hydrogen 3.481 N/A VAL 122.A N TYR 118.A O no hydrogen 3.040 N/A VAL 123.A N ALA 119.A O no hydrogen 2.982 N/A LEU 124.A N ALA 120.A O no hydrogen 3.031 N/A GLY 125.A N CYS 121.A O no hydrogen 3.035 N/A LEU 126.A N VAL 122.A O no hydrogen 2.819 N/A GLN 127.A N VAL 123.A O no hydrogen 2.837 N/A GLN 127.A NE2 GLU 131.A OE2 no hydrogen 3.341 N/A TYR 128.A N LEU 124.A O no hydrogen 3.268 N/A TYR 128.A OH THR 68.A O no hydrogen 2.784 N/A LEU 129.A N GLY 125.A O no hydrogen 3.247 N/A HIS 130.A N LEU 126.A O no hydrogen 2.774 N/A HIS 130.A ND1 ASP 261.A OD1 no hydrogen 3.314 N/A HIS 130.A NE2 ASP 194.A OD2 no hydrogen 2.646 N/A GLU 131.A N GLN 127.A O no hydrogen 2.908 N/A HIS 132.A N TYR 128.A O no hydrogen 3.239 N/A HIS 132.A N LEU 129.A O no hydrogen 2.921 N/A LYS 133.A N HIS 130.A O no hydrogen 3.091 N/A ILE 134.A N LEU 129.A O no hydrogen 2.906 N/A VAL 135.A N LYS 161.A O no hydrogen 2.988 N/A TYR 136.A N ASP 194.A OD2 no hydrogen 3.121 N/A TYR 136.A OH ASP 138.A O no hydrogen 3.123 N/A TYR 136.A OH ALA 155.A O no hydrogen 2.561 N/A ARG 137.A N ASP 194.A OD1 no hydrogen 2.960 N/A ARG 137.A NE LEU 159.A O no hydrogen 2.763 N/A ARG 137.A NH1 TYR 189.A OH no hydrogen 3.081 N/A ARG 137.A NH2 LEU 159.A O no hydrogen 2.768 N/A ASN 143.A N LYS 140.A O no hydrogen 3.032 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.886 N/A LEU 144.A N LEU 141.A O no hydrogen 3.222 N/A LEU 145.A N LYS 153.A O no hydrogen 2.787 N/A LEU 146.A N GLY 100.A O no hydrogen 2.712 N/A ASP 147.A N PHE 151.A O no hydrogen 2.938 N/A THR 148.A OG1 GLU 149.A OE1 no hydrogen 2.871 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.764 N/A GLY 150.A N ASP 147.A O no hydrogen 3.049 N/A PHE 151.A N ASP 147.A OD1 no hydrogen 3.087 N/A LYS 153.A N LEU 145.A O no hydrogen 2.640 N/A LYS 153.A NZ PRO 75.A O no hydrogen 3.245 N/A LYS 153.A NZ GLU 95.A OE2 no hydrogen 2.603 N/A ILE 154.A N PHE 76.A O no hydrogen 3.010 N/A ALA 155.A N ASN 143.A O no hydrogen 2.938 N/A GLY 158.A N ASP 156.A OD1 no hydrogen 3.486 N/A CYS 160.A N PHE 157.A O no hydrogen 3.437 N/A CYS 160.A SG VAL 135.A O no hydrogen 3.421 N/A CYS 160.A SG TYR 136.A O no hydrogen 4.030 N/A LYS 161.A N VAL 135.A O no hydrogen 3.129 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 3.048 N/A MET 164.A N LYS 133.A O no hydrogen 3.259 N/A GLY 165.A N ASP 168.A OD2 no hydrogen 2.723 N/A ASP 168.A N GLY 165.A O no hydrogen 3.000 N/A ARG 169.A NH1 SER 188.A OG no hydrogen 2.637 N/A THR 170.A N TYR 189.A O no hydrogen 3.022 N/A SER 171.A OG THR 187.A O no hydrogen 2.757 N/A PHE 178.A N THR 175.A O no hydrogen 2.941 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.859 N/A VAL 183.A N ALA 180.A O no hydrogen 2.867 N/A LEU 184.A N ALA 180.A O no hydrogen 3.429 N/A LEU 184.A N PRO 181.A O no hydrogen 3.131 N/A THR 185.A OG1 PRO 181.A O no hydrogen 2.870 N/A THR 185.A OG1 GLU 186.A OE2 no hydrogen 2.927 N/A GLU 186.A N GLU 182.A O no hydrogen 2.939 N/A TYR 189.A N THR 170.A O no hydrogen 2.949 N/A ALA 192.A N THR 190.A OG1 no hydrogen 3.263 N/A VAL 193.A N THR 190.A O no hydrogen 3.166 N/A ASP 194.A N ARG 191.A O no hydrogen 2.743 N/A TRP 195.A N ALA 192.A O no hydrogen 2.943 N/A TRP 195.A NE1 ASP 261.A OD1 no hydrogen 2.715 N/A TRP 196.A N ALA 192.A O no hydrogen 3.199 N/A GLY 197.A N VAL 193.A O no hydrogen 3.052 N/A LEU 198.A N ASP 194.A O no hydrogen 2.858 N/A GLY 199.A N TRP 195.A O no hydrogen 2.956 N/A VAL 200.A N TRP 196.A O no hydrogen 3.051 N/A LEU 201.A N GLY 197.A O no hydrogen 2.875 N/A ILE 202.A N LEU 198.A O no hydrogen 3.011 N/A TYR 203.A N GLY 199.A O no hydrogen 3.353 N/A TYR 203.A OH ARG 230.A O no hydrogen 2.689 N/A GLU 204.A N VAL 200.A O no hydrogen 3.042 N/A MET 205.A N LEU 201.A O no hydrogen 2.948 N/A LEU 206.A N ILE 202.A O no hydrogen 2.949 N/A VAL 207.A N TYR 203.A O no hydrogen 2.747 N/A GLY 208.A N GLU 204.A O no hydrogen 2.790 N/A SER 210.A OG PHE 212.A O no hydrogen 3.202 N/A PHE 212.A N SER 210.A OG no hydrogen 3.230 N/A ASP 215.A N GLU 219.A OE1 no hydrogen 2.649 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.608 N/A GLU 219.A N ASP 216.A OD1 no hydrogen 2.790 N/A VAL 220.A N ASP 216.A O no hydrogen 3.037 N/A PHE 221.A N GLU 217.A O no hydrogen 2.773 N/A ASP 222.A N GLU 218.A O no hydrogen 3.358 N/A SER 223.A N GLU 219.A O no hydrogen 3.141 N/A SER 223.A OG PRO 213.A O no hydrogen 3.008 N/A SER 223.A OG GLU 219.A O no hydrogen 3.145 N/A SER 223.A OG VAL 220.A O no hydrogen 3.182 N/A ILE 224.A N VAL 220.A O no hydrogen 2.965 N/A VAL 225.A N PHE 221.A O no hydrogen 3.367 N/A VAL 225.A N ASP 222.A O no hydrogen 3.178 N/A ASN 226.A N ASP 222.A O no hydrogen 2.850 N/A ASN 226.A ND2 ASP 222.A O no hydrogen 3.349 N/A ASN 226.A ND2 ASP 222.A OD1 no hydrogen 3.059 N/A LEU 235.A N PRO 232.A O no hydrogen 3.294 N/A SER 236.A OG GLU 112.A OE1 no hydrogen 2.968 N/A SER 236.A OG GLU 112.A OE2 no hydrogen 3.100 N/A ALA 239.A N SER 236.A OG no hydrogen 2.995 N/A ILE 240.A N SER 236.A O no hydrogen 3.107 N/A SER 241.A N THR 237.A O no hydrogen 2.967 N/A SER 241.A OG HIS 268.A NE2 no hydrogen 2.962 N/A ILE 242.A N GLU 238.A O no hydrogen 3.294 N/A MET 243.A N ALA 239.A O no hydrogen 3.057 N/A ARG 244.A N ILE 240.A O no hydrogen 2.936 N/A ARG 245.A N SER 241.A O no hydrogen 3.094 N/A LEU 246.A N ILE 242.A O no hydrogen 2.873 N/A LEU 247.A N MET 243.A O no hydrogen 2.775 N/A ARG 248.A NH1 ARG 253.A O no hydrogen 3.313 N/A ARG 249.A NH2 ASP 227.A O no hydrogen 3.349 N/A ARG 253.A N ASN 250.A O no hydrogen 3.383 N/A ARG 254.A N PRO 251.A O no hydrogen 3.521 N/A ARG 254.A NE ARG 248.A O no hydrogen 2.809 N/A ARG 254.A NH1 GLU 182.A OE1 no hydrogen 3.523 N/A ARG 254.A NH1 GLU 182.A OE2 no hydrogen 2.756 N/A ARG 254.A NH1 ALA 192.A O no hydrogen 3.346 N/A ARG 254.A NH2 GLU 182.A OE1 no hydrogen 2.786 N/A ARG 254.A NH2 GLU 182.A OE2 no hydrogen 3.552 N/A ARG 254.A NH2 ARG 248.A O no hydrogen 2.845 N/A LEU 255.A N ARG 245.A O no hydrogen 2.949 N/A ALA 257.A N ARG 254.A O no hydrogen 2.944 N/A SER 258.A OG ASP 264.A OD2 no hydrogen 2.313 N/A ASP 261.A N SER 258.A OG no hydrogen 3.317 N/A GLU 263.A N LYS 260.A O no hydrogen 3.186 N/A LYS 266.A N ALA 262.A O no hydrogen 2.702 N/A LYS 266.A NZ GLN 127.A OE1 no hydrogen 3.015 N/A LYS 267.A N GLU 263.A O no hydrogen 3.326 N/A LYS 267.A NZ ASP 264.A OD1 no hydrogen 3.544 N/A HIS 268.A N VAL 265.A O no hydrogen 2.911 N/A HIS 268.A NE2 SER 241.A OG no hydrogen 2.962 N/A PHE 270.A N HIS 268.A ND1 no hydrogen 3.038 N/A PHE 271.A N HIS 268.A O no hydrogen 3.210 N/A ARG 272.A NH1 PRO 269.A O no hydrogen 2.602 N/A ILE 274.A N PHE 271.A O no hydrogen 2.882 N/A SER 277.A OG ASP 275.A OD1 no hydrogen 3.437 N/A LEU 279.A N ASP 275.A O no hydrogen 3.132 N/A MET 280.A N TRP 276.A O no hydrogen 3.089 N/A ASP 281.A N ALA 278.A O no hydrogen 3.276 N/A LYS 282.A N LEU 279.A O no hydrogen 2.756 N/A LYS 283.A N ALA 278.A O no hydrogen 2.888 N/A THR 291.A OG1 THR 291.A O no hydrogen 2.456 N/A ARG 293.A N ASP 297.A OD2 no hydrogen 2.963 N/A ARG 295.A NH1 ASN 37.A O no hydrogen 3.438 N/A ASP 297.A N GLY 294.A O no hydrogen 3.055 N/A SER 299.A N ASP 297.A OD1 no hydrogen 3.103 N/A SER 299.A OG ASP 297.A OD1 no hydrogen 2.594 N/A SER 299.A OG ASP 297.A OD2 no hydrogen 3.470 N/A ASN 300.A ND2 ALA 98.A O no hydrogen 3.523 N/A GLU 304.A N ASP 302.A OD1 no hydrogen 2.977 N/A PHE 305.A N ASP 302.A O no hydrogen 2.970 N/A THR 306.A N ASP 302.A O no hydrogen 3.441 N/A THR 306.A OG1 ASP 303.A O no hydrogen 3.219 N/A SER 307.A N ASP 303.A O no hydrogen 2.688 N/A GLU 308.A N PHE 305.A O no hydrogen 2.751 N/A ILE 311.A N ALA 309.A O no hydrogen 2.814 N/A TYR 326.A N CYS 83.A O no hydrogen 2.939 N/A ALA 328.A N PHE 81.A O no hydrogen 3.000 N/A