Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8fr1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N ASN 8.A O no hydrogen 2.724 N/A GLY 5.A N ASN 8.A OD1 no hydrogen 2.994 N/A LYS 6.A NZ LYS 6.A O no hydrogen 3.014 N/A ASN 8.A ND2 HIS 1.A O no hydrogen 3.479 N/A HIS 12.A N GLY 9.A O no hydrogen 2.754 N/A HIS 12.A NE2 LYS 6.A O no hydrogen 2.776 N/A TRP 13.A NE1 GLY 3.A O no hydrogen 3.186 N/A TRP 13.A NE1 ASN 8.A O no hydrogen 2.997 N/A LYS 15.A N HIS 12.A O no hydrogen 2.889 N/A LYS 15.A NZ HIS 12.A ND1 no hydrogen 3.068 N/A ASP 16.A N TRP 13.A O no hydrogen 3.004 N/A PHE 17.A N TRP 13.A O no hydrogen 2.751 N/A ALA 20.A N PHE 17.A O no hydrogen 2.767 N/A LYS 21.A N PRO 18.A O no hydrogen 3.226 N/A GLY 22.A N ILE 19.A O no hydrogen 2.808 N/A ARG 24.A N GLU 201.A OE2 no hydrogen 3.014 N/A ARG 24.A NE GLY 192.A O no hydrogen 2.898 N/A ARG 24.A NH1 PRO 134.A O no hydrogen 3.218 N/A ARG 24.A NH2 PRO 134.A O no hydrogen 3.425 N/A ARG 24.A NH2 GLY 192.A O no hydrogen 2.922 N/A ARG 24.A NH2 VAL 203.A O no hydrogen 2.686 N/A GLN 25.A NE2 LEU 199.A O no hydrogen 3.205 N/A GLN 25.A NE2 GLU 201.A OE2 no hydrogen 3.092 N/A SER 26.A N SER 193.A OG no hydrogen 2.970 N/A SER 26.A OG TYR 190.A OH no hydrogen 2.999 N/A SER 26.A OG SER 193.A O no hydrogen 3.449 N/A ILE 30.A N THR 105.A O no hydrogen 2.773 N/A THR 32.A N ASP 107.A OD1 no hydrogen 3.141 N/A THR 32.A OG1 ASP 107.A OD1 no hydrogen 3.084 N/A THR 32.A OG1 ASP 107.A OD2 no hydrogen 2.990 N/A HIS 33.A N ASP 31.A OD1 no hydrogen 3.240 N/A THR 34.A N ASP 31.A O no hydrogen 3.052 N/A THR 34.A OG1 ASP 31.A OD2 no hydrogen 2.425 N/A ALA 35.A N ASP 31.A O no hydrogen 3.083 N/A LYS 36.A N ILE 252.A O no hydrogen 3.046 N/A ASP 38.A N ALA 254.A O no hydrogen 2.975 N/A SER 40.A N ASP 38.A OD1 no hydrogen 2.857 N/A SER 40.A OG ASP 38.A OD1 no hydrogen 2.643 N/A SER 40.A OG ASP 38.A OD2 no hydrogen 2.933 N/A LEU 41.A N ASP 38.A O no hydrogen 3.379 N/A SER 45.A N LYS 77.A O no hydrogen 3.150 N/A SER 45.A OG LYS 77.A O no hydrogen 2.947 N/A SER 47.A N VAL 75.A O no hydrogen 3.007 N/A TYR 48.A OH HIS 119.A NE2 no hydrogen 2.572 N/A ALA 51.A N TYR 48.A O no hydrogen 3.423 N/A THR 52.A OG1 GLN 50.A O no hydrogen 3.520 N/A SER 53.A OG PHE 172.A O no hydrogen 2.647 N/A LEU 54.A N THR 66.A O no hydrogen 2.824 N/A ILE 56.A N ALA 170.A O no hydrogen 2.944 N/A LEU 57.A N GLN 64.A O no hydrogen 2.818 N/A ASN 58.A N LYS 168.A O no hydrogen 2.844 N/A ASN 58.A ND2 ILE 163.A O no hydrogen 3.257 N/A ASN 58.A ND2 ASN 226.A O no hydrogen 3.179 N/A ASN 59.A N SER 62.A O no hydrogen 3.022 N/A GLY 60.A N ASN 58.A OD1 no hydrogen 2.698 N/A HIS 61.A N ASN 59.A OD1 no hydrogen 3.180 N/A SER 62.A OG PHE 63.A O no hydrogen 3.292 N/A SER 62.A OG PHE 92.A O no hydrogen 2.734 N/A GLN 64.A N LEU 57.A O no hydrogen 2.849 N/A VAL 65.A N PHE 90.A O no hydrogen 3.035 N/A THR 66.A N ARG 55.A O no hydrogen 2.877 N/A PHE 67.A N LEU 88.A O no hydrogen 3.035 N/A ASP 68.A N THR 52.A O no hydrogen 2.818 N/A SER 70.A N ASP 68.A OD1 no hydrogen 3.107 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 2.890 N/A LYS 73.A N GLN 71.A O no hydrogen 2.799 N/A LYS 73.A NZ ASP 68.A OD2 no hydrogen 3.320 N/A VAL 75.A N SER 47.A O no hydrogen 3.116 N/A LEU 76.A N TYR 85.A O no hydrogen 2.819 N/A LYS 77.A N SER 45.A O no hydrogen 3.204 N/A GLY 79.A N PRO 43.A O no hydrogen 3.119 N/A LEU 81.A N GLY 78.A O no hydrogen 2.900 N/A TYR 85.A N LEU 76.A O no hydrogen 3.086 N/A TYR 85.A OH ASP 135.A O no hydrogen 2.928 N/A ARG 86.A N TRP 120.A O no hydrogen 2.898 N/A ARG 86.A NE ASP 72.A OD1 no hydrogen 2.578 N/A ARG 86.A NH1 ASP 69.A O no hydrogen 2.427 N/A LEU 87.A N ALA 74.A O no hydrogen 2.850 N/A LEU 88.A N VAL 118.A O no hydrogen 2.815 N/A PHE 90.A N VAL 65.A O no hydrogen 3.070 N/A HIS 91.A N HIS 116.A O no hydrogen 2.992 N/A HIS 91.A ND1 GLN 89.A OE1 no hydrogen 2.790 N/A HIS 93.A N GLU 114.A O no hydrogen 2.926 N/A HIS 93.A ND1 ASN 240.A O no hydrogen 2.749 N/A TRP 94.A N ASN 240.A OD1 no hydrogen 2.798 N/A TRP 94.A NE1 MET 237.A O no hydrogen 2.824 N/A SER 96.A N ASP 239.A OD1 no hydrogen 3.146 N/A SER 96.A OG ASP 239.A OD1 no hydrogen 3.357 N/A SER 96.A OG ASP 239.A OD2 no hydrogen 2.853 N/A GLN 100.A N LEU 97.A O no hydrogen 3.300 N/A GLN 100.A NE2 ASP 239.A OD1 no hydrogen 2.705 N/A GLN 100.A NE2 ASP 239.A OD2 no hydrogen 3.483 N/A SER 102.A N TYR 111.A O no hydrogen 3.015 N/A SER 102.A OG HIS 104.A O no hydrogen 2.848 N/A GLU 103.A N GLU 114.A OE1 no hydrogen 2.771 N/A HIS 104.A N GLU 114.A OE1 no hydrogen 2.844 N/A HIS 104.A ND1 GLU 114.A OE2 no hydrogen 2.903 N/A HIS 104.A NE2 TYR 190.A OH no hydrogen 2.579 N/A THR 105.A OG1 ASP 29.A OD1 no hydrogen 2.568 N/A VAL 106.A N LYS 109.A O no hydrogen 3.085 N/A ASP 107.A N ILE 30.A O no hydrogen 3.047 N/A LYS 108.A N ASP 29.A OD1 no hydrogen 2.751 N/A LYS 109.A N VAL 106.A O no hydrogen 3.067 N/A TYR 111.A N SER 102.A OG no hydrogen 2.917 N/A ALA 112.A N LEU 144.A O no hydrogen 3.116 N/A ALA 113.A N LEU 144.A O no hydrogen 3.341 N/A GLU 114.A N HIS 93.A O no hydrogen 2.915 N/A LEU 115.A N ILE 142.A O no hydrogen 2.746 N/A HIS 116.A N HIS 91.A O no hydrogen 2.819 N/A HIS 116.A NE2 GLU 114.A OE2 no hydrogen 2.415 N/A LEU 117.A N LEU 140.A O no hydrogen 2.861 N/A VAL 118.A N GLN 89.A O no hydrogen 2.799 N/A HIS 119.A N ALA 138.A O no hydrogen 2.831 N/A HIS 119.A ND1 ALA 138.A O no hydrogen 3.158 N/A HIS 119.A NE2 TYR 48.A OH no hydrogen 2.572 N/A TRP 120.A N ARG 86.A O no hydrogen 2.981 N/A TRP 120.A NE1 ASP 69.A OD2 no hydrogen 2.996 N/A ASN 121.A N GLY 136.A O no hydrogen 2.852 N/A ASN 121.A ND2 ASP 135.A O no hydrogen 3.321 N/A THR 122.A N THR 84.A O no hydrogen 3.074 N/A THR 122.A OG1 THR 84.A O no hydrogen 3.023 N/A LYS 123.A N ASN 121.A OD1 no hydrogen 3.419 N/A LYS 123.A NZ ASP 135.A OD2 no hydrogen 3.411 N/A TYR 124.A N ASN 121.A O no hydrogen 3.056 N/A TYR 124.A OH ASP 135.A OD1 no hydrogen 2.589 N/A GLY 125.A N THR 122.A O no hydrogen 2.865 N/A ASP 126.A N TYR 124.A O no hydrogen 2.960 N/A LYS 129.A N ASP 126.A OD1 no hydrogen 3.292 N/A LYS 129.A NZ ASP 126.A OD2 no hydrogen 3.173 N/A ALA 130.A N ASP 126.A O no hydrogen 3.237 N/A VAL 131.A N VAL 127.A O no hydrogen 3.099 N/A GLN 132.A N LYS 129.A O no hydrogen 3.197 N/A GLN 132.A NE2 GLY 128.A O no hydrogen 2.743 N/A GLN 133.A N ALA 130.A O no hydrogen 2.977 N/A GLN 133.A NE2 LYS 129.A O no hydrogen 3.643 N/A GLY 136.A N GLN 133.A O no hydrogen 3.210 N/A LEU 137.A N CYS 202.A O no hydrogen 3.001 N/A ALA 138.A N HIS 119.A O no hydrogen 2.863 N/A VAL 139.A N THR 204.A O no hydrogen 3.299 N/A LEU 140.A N LEU 117.A O no hydrogen 2.932 N/A GLY 141.A N ILE 206.A O no hydrogen 2.783 N/A ILE 142.A N LEU 115.A O no hydrogen 2.960 N/A LEU 144.A N ALA 113.A O no hydrogen 3.016 N/A LYS 145.A N ILE 212.A O no hydrogen 2.991 N/A GLY 147.A N VAL 214.A O no hydrogen 2.639 N/A SER 148.A OG SER 213.A OG no hydrogen 3.266 N/A LYS 150.A N GLN 218.A OE1 no hydrogen 3.002 N/A LYS 150.A NZ LEU 181.A O no hydrogen 3.303 N/A LEU 153.A N LYS 150.A O no hydrogen 3.079 N/A GLN 154.A N PRO 151.A O no hydrogen 3.044 N/A VAL 157.A N LEU 153.A O no hydrogen 3.044 N/A ASP 158.A N GLN 154.A O no hydrogen 2.833 N/A VAL 159.A N VAL 156.A O no hydrogen 3.083 N/A LEU 160.A N VAL 157.A O no hydrogen 3.375 N/A SER 162.A N VAL 159.A O no hydrogen 2.730 N/A SER 162.A OG VAL 159.A O no hydrogen 3.347 N/A ILE 163.A N LEU 160.A O no hydrogen 3.040 N/A LYS 164.A NZ ASN 226.A OD1 no hydrogen 3.230 N/A LYS 164.A NZ GLU 234.A OE1 no hydrogen 3.361 N/A GLU 166.A N ASN 228.A O no hydrogen 2.803 N/A GLY 167.A N ASN 58.A O no hydrogen 2.701 N/A LYS 168.A N THR 165.A O no hydrogen 3.268 N/A LYS 168.A NZ THR 165.A OG1 no hydrogen 3.051 N/A LYS 168.A NZ GLU 230.A OE2 no hydrogen 2.675 N/A ALA 170.A N ILE 56.A O no hydrogen 2.838 N/A PHE 172.A N LEU 54.A O no hydrogen 2.994 N/A PHE 175.A N SER 53.A OG no hydrogen 2.934 N/A ARG 178.A N ASP 176.A OD1 no hydrogen 3.155 N/A ARG 178.A NE ASP 176.A OD1 no hydrogen 2.889 N/A ARG 178.A NE ASP 176.A OD2 no hydrogen 3.271 N/A ARG 178.A NH2 ASP 176.A OD2 no hydrogen 3.014 N/A GLY 179.A N ASP 176.A O no hydrogen 3.400 N/A LEU 180.A N PRO 177.A O no hydrogen 3.140 N/A LEU 181.A N ARG 178.A O no hydrogen 3.118 N/A SER 184.A N GLU 210.A OE2 no hydrogen 2.644 N/A ASP 186.A N SER 184.A OG no hydrogen 3.120 N/A TYR 187.A N SER 255.A OG no hydrogen 3.071 N/A TYR 187.A OH LYS 42.A O no hydrogen 2.964 N/A TRP 188.A N VAL 207.A O no hydrogen 2.785 N/A THR 189.A N LYS 253.A O no hydrogen 2.829 N/A THR 189.A OG1 TRP 205.A O no hydrogen 2.798 N/A TYR 190.A N TRP 205.A O no hydrogen 3.283 N/A TYR 190.A OH SER 26.A OG no hydrogen 2.999 N/A TYR 190.A OH HIS 104.A NE2 no hydrogen 2.579 N/A GLY 192.A N VAL 203.A O no hydrogen 2.712 N/A SER 193.A N SER 26.A OG no hydrogen 2.879 N/A SER 193.A OG LEU 194.A O no hydrogen 2.786 N/A LEU 194.A N ALA 200.A O no hydrogen 3.015 N/A THR 195.A OG1 GLU 103.A OE1 no hydrogen 2.333 N/A THR 195.A OG1 GLU 103.A OE2 no hydrogen 3.224 N/A LEU 199.A N THR 196.A O no hydrogen 2.833 N/A CYS 202.A SG ALA 200.A O no hydrogen 3.839 N/A VAL 203.A N GLY 192.A O no hydrogen 3.325 N/A THR 204.A N LEU 137.A O no hydrogen 2.894 N/A TRP 205.A N TYR 190.A O no hydrogen 2.912 N/A TRP 205.A NE1 SER 193.A O no hydrogen 2.879 N/A ILE 206.A N VAL 139.A O no hydrogen 2.922 N/A VAL 207.A N TRP 188.A O no hydrogen 2.889 N/A LEU 208.A N GLY 141.A O no hydrogen 2.903 N/A LYS 209.A N ASP 186.A O no hydrogen 2.760 N/A LYS 209.A NZ ASP 186.A OD2 no hydrogen 3.065 N/A ILE 212.A N PHE 143.A O no hydrogen 2.908 N/A SER 213.A OG SER 148.A O no hydrogen 3.388 N/A SER 213.A OG SER 148.A OG no hydrogen 3.266 N/A VAL 214.A N LYS 145.A O no hydrogen 2.850 N/A SER 215.A N GLN 218.A OE1 no hydrogen 3.079 N/A SER 215.A OG GLU 217.A OE2 no hydrogen 3.521 N/A GLN 218.A N SER 215.A OG no hydrogen 3.378 N/A GLN 218.A NE2 LYS 150.A O no hydrogen 2.890 N/A GLN 218.A NE2 GLN 154.A OE1 no hydrogen 2.908 N/A VAL 219.A N SER 215.A O no hydrogen 3.140 N/A LEU 220.A N SER 216.A O no hydrogen 2.769 N/A LYS 221.A N GLU 217.A O no hydrogen 3.323 N/A LYS 221.A N GLN 218.A O no hydrogen 3.260 N/A LYS 221.A NZ VAL 157.A O no hydrogen 3.419 N/A ARG 223.A N VAL 219.A O no hydrogen 3.310 N/A ARG 223.A NE GLY 95.A O no hydrogen 2.805 N/A ARG 223.A NH2 ASP 98.A OD1 no hydrogen 2.976 N/A LYS 224.A N LYS 221.A O no hydrogen 3.392 N/A LEU 225.A N PHE 222.A O no hydrogen 3.307 N/A ASN 226.A N LYS 164.A O no hydrogen 2.884 N/A PHE 227.A N GLU 235.A O no hydrogen 2.799 N/A ASN 228.A ND2 GLY 229.A O no hydrogen 2.951 N/A GLY 229.A N GLU 232.A OE1 no hydrogen 2.644 N/A GLU 235.A N ASN 228.A OD1 no hydrogen 2.903 N/A MET 237.A N LEU 225.A O no hydrogen 2.574 N/A ASN 240.A N TRP 94.A O no hydrogen 3.341 N/A ASN 240.A ND2 HIS 61.A O no hydrogen 2.977 N/A TRP 241.A NE1 ASP 239.A OD1 no hydrogen 3.076 N/A ARG 242.A N GLU 103.A OE2 no hydrogen 2.815 N/A ARG 242.A NH1 GLN 25.A OE1 no hydrogen 2.727 N/A ARG 242.A NH1 SER 26.A O no hydrogen 2.643 N/A ARG 242.A NH2 GLN 25.A OE1 no hydrogen 3.142 N/A GLN 245.A N PRO 27.A O no hydrogen 2.724 N/A GLN 245.A NE2 PRO 243.A O no hydrogen 2.690 N/A LYS 248.A NZ LYS 21.A O no hydrogen 3.422 N/A LYS 248.A NZ GLY 22.A O no hydrogen 3.091 N/A ASN 249.A N GLU 23.A OE1 no hydrogen 2.992 N/A ARG 250.A N LYS 248.A O no hydrogen 2.896 N/A ARG 250.A NE LEU 247.A O no hydrogen 2.928 N/A ARG 250.A NH1 GLN 25.A O no hydrogen 2.990 N/A ARG 250.A NH1 PRO 191.A O no hydrogen 2.875 N/A ARG 250.A NH2 GLN 25.A O no hydrogen 2.779 N/A ARG 250.A NH2 PRO 246.A O no hydrogen 2.972 N/A ARG 250.A NH2 LEU 247.A O no hydrogen 3.569 N/A LYS 253.A N THR 189.A O no hydrogen 2.995 N/A ALA 254.A N LYS 36.A O no hydrogen 2.678 N/A SER 255.A N TYR 187.A O no hydrogen 2.999 N/A SER 255.A OG TYR 187.A O no hydrogen 3.372 N/A