Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4h54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N THR 1.A O no hydrogen 2.536 N/A ALA 6.A N THR 2.A O no hydrogen 3.161 N/A LEU 8.A N ILE 4.A O no hydrogen 2.921 N/A LEU 9.A N ASP 5.A O no hydrogen 2.929 N/A ASN 10.A N ALA 6.A O no hydrogen 3.371 N/A LEU 11.A N ILE 7.A O no hydrogen 2.804 N/A ASN 12.A N LEU 8.A O no hydrogen 3.012 N/A LYS 13.A N LEU 9.A O no hydrogen 2.818 N/A ALA 14.A N ASN 10.A O no hydrogen 3.305 N/A ALA 14.A N LEU 11.A O no hydrogen 3.017 N/A ILE 15.A N LEU 11.A O no hydrogen 3.338 N/A ASP 16.A N ASN 12.A O no hydrogen 3.329 N/A ALA 17.A N LYS 13.A O no hydrogen 2.966 N/A HIS 18.A N ALA 14.A O no hydrogen 2.794 N/A HIS 18.A ND1 ALA 14.A O no hydrogen 2.923 N/A HIS 18.A NE2 HIS 57.A NE2 no hydrogen 2.885 N/A HIS 18.A NE2 HIS 61.A NE2 no hydrogen 3.023 N/A TYR 19.A N ILE 15.A O no hydrogen 3.028 N/A TYR 19.A N ASP 16.A O no hydrogen 3.039 N/A GLN 20.A N ASP 16.A O no hydrogen 3.095 N/A TRP 21.A N ALA 17.A O no hydrogen 3.105 N/A LEU 22.A N HIS 18.A O no hydrogen 3.378 N/A VAL 23.A N TYR 19.A O no hydrogen 2.985 N/A SER 24.A N GLN 20.A O no hydrogen 2.868 N/A SER 24.A OG GLN 20.A O no hydrogen 3.109 N/A MET 25.A N TRP 21.A O no hydrogen 3.123 N/A PHE 26.A N LEU 22.A O no hydrogen 3.059 N/A HIS 27.A N VAL 23.A O no hydrogen 2.697 N/A SER 28.A N SER 24.A O no hydrogen 2.732 N/A SER 28.A OG SER 24.A O no hydrogen 2.808 N/A SER 28.A OG MET 25.A O no hydrogen 2.698 N/A VAL 29.A N MET 25.A O no hydrogen 3.121 N/A VAL 30.A N PHE 26.A O no hydrogen 3.285 N/A ALA 31.A N HIS 27.A O no hydrogen 3.034 N/A ILE 36.A N PHE 32.A O no hydrogen 2.942 N/A HIS 38.A N TRP 35.A O no hydrogen 2.886 N/A GLU 46.A N ASP 43.A OD1 no hydrogen 3.292 N/A LEU 47.A N ASP 43.A O no hydrogen 3.211 N/A VAL 50.A N GLU 46.A O no hydrogen 3.405 N/A ARG 51.A N LEU 47.A O no hydrogen 2.986 N/A LEU 52.A N PRO 48.A O no hydrogen 2.870 N/A MET 53.A N TYR 49.A O no hydrogen 3.229 N/A ASP 54.A N VAL 50.A O no hydrogen 2.777 N/A SER 55.A N ARG 51.A O no hydrogen 2.866 N/A SER 55.A OG ARG 51.A O no hydrogen 2.694 N/A ALA 56.A N LEU 52.A O no hydrogen 2.893 N/A HIS 57.A N MET 53.A O no hydrogen 2.731 N/A HIS 57.A NE2 HIS 18.A NE2 no hydrogen 2.885 N/A GLN 58.A N ASP 54.A O no hydrogen 3.103 N/A HIS 59.A N SER 55.A O no hydrogen 3.106 N/A MET 60.A N ALA 56.A O no hydrogen 2.853 N/A HIS 61.A N HIS 57.A O no hydrogen 3.202 N/A HIS 61.A NE2 HIS 18.A NE2 no hydrogen 3.023 N/A HIS 61.A NE2 HIS 57.A NE2 no hydrogen 2.890 N/A ASN 62.A N GLN 58.A O no hydrogen 3.006 N/A CYS 63.A N HIS 59.A O no hydrogen 3.147 N/A CYS 63.A SG HIS 59.A O no hydrogen 3.414 N/A CYS 63.A SG ALA 83.A O no hydrogen 3.686 N/A GLY 64.A N MET 60.A O no hydrogen 3.152 N/A ARG 65.A N HIS 61.A O no hydrogen 2.908 N/A GLU 66.A N ASN 62.A O no hydrogen 2.946 N/A LEU 67.A N CYS 63.A O no hydrogen 2.636 N/A MET 68.A N GLY 64.A O no hydrogen 2.846 N/A LEU 69.A N ARG 65.A O no hydrogen 2.922 N/A ALA 70.A N GLU 66.A O no hydrogen 3.072 N/A ILE 71.A N LEU 67.A O no hydrogen 2.992 N/A VAL 72.A N MET 68.A O no hydrogen 3.062 N/A GLU 73.A N LEU 69.A O no hydrogen 3.060 N/A HIS 75.A N ALA 70.A O no hydrogen 3.139 N/A HIS 75.A NE2 GLU 73.A OE1 no hydrogen 2.812 N/A HIS 80.A N GLN 77.A O no hydrogen 2.636 N/A ASP 82.A N ASP 78.A O no hydrogen 3.138 N/A ALA 83.A N ALA 79.A O no hydrogen 2.803 N/A PHE 84.A N HIS 80.A O no hydrogen 3.188 N/A GLN 85.A N PHE 81.A O no hydrogen 2.877 N/A GLU 86.A N ASP 82.A O no hydrogen 2.901 N/A GLY 87.A N ALA 83.A O no hydrogen 3.085 N/A LEU 88.A N PHE 84.A O no hydrogen 2.845 N/A LEU 89.A N GLN 85.A O no hydrogen 2.923 N/A SER 90.A N GLU 86.A O no hydrogen 2.919 N/A SER 90.A OG GLU 86.A O no hydrogen 2.772 N/A PHE 91.A N GLY 87.A O no hydrogen 2.917 N/A THR 92.A N LEU 88.A O no hydrogen 3.070 N/A THR 92.A OG1 LEU 88.A O no hydrogen 3.554 N/A THR 92.A OG1 LEU 89.A O no hydrogen 2.960 N/A ALA 93.A N LEU 89.A O no hydrogen 2.815 N/A ALA 94.A N SER 90.A O no hydrogen 2.976 N/A LEU 95.A N PHE 91.A O no hydrogen 3.083 N/A THR 96.A N THR 92.A O no hydrogen 3.367 N/A THR 96.A OG1 THR 92.A O no hydrogen 2.810 N/A ASP 97.A N ALA 93.A O no hydrogen 2.897 N/A TYR 98.A N ALA 94.A O no hydrogen 3.234 N/A LYS 99.A N LEU 95.A O no hydrogen 2.716 N/A ILE 100.A N THR 96.A O no hydrogen 2.916 N/A TYR 101.A N ASP 97.A O no hydrogen 3.077 N/A LEU 102.A N TYR 98.A O no hydrogen 3.086 N/A LEU 103.A N LYS 99.A O no hydrogen 3.015 N/A THR 104.A N ILE 100.A O no hydrogen 2.814 N/A THR 104.A OG1 ILE 100.A O no hydrogen 2.509 N/A THR 104.A OG1 TYR 101.A O no hydrogen 3.313 N/A ILE 105.A N TYR 101.A O no hydrogen 2.933 N/A ARG 106.A N LEU 102.A O no hydrogen 2.729 N/A ARG 106.A N LEU 103.A O no hydrogen 3.045 N/A SER 107.A N LEU 103.A O no hydrogen 2.489 N/A SER 107.A N THR 104.A O no hydrogen 2.891 N/A SER 107.A OG LEU 103.A O no hydrogen 3.325 N/A SER 107.A OG THR 104.A O no hydrogen 2.533 N/A ASP 110.A N LEU 115.A O no hydrogen 2.891 N/A THR 113.A N ASP 110.A OD2 no hydrogen 2.583 N/A THR 113.A OG1 ASP 110.A OD2 no hydrogen 2.471 N/A GLY 114.A N ASP 110.A O no hydrogen 2.786 N/A LEU 115.A N THR 113.A OG1 no hydrogen 3.032 N/A GLY 117.A N ASN 108.A O no hydrogen 3.025 N/A ASP 122.A N ARG 118.A O no hydrogen 2.797 N/A GLU 123.A N ARG 119.A O no hydrogen 3.055 N/A SER 124.A N VAL 120.A O no hydrogen 3.074 N/A SER 124.A N LEU 121.A O no hydrogen 2.946 N/A SER 124.A OG VAL 120.A O no hydrogen 3.386 N/A SER 124.A OG LEU 121.A O no hydrogen 3.519 N/A PHE 125.A N LEU 121.A O no hydrogen 2.779 N/A GLN 128.A N SER 124.A O no hydrogen 2.978 N/A GLN 128.A NE2 SER 124.A OG no hydrogen 2.921 N/A GLN 128.A NE2 TYR 181.A OH no hydrogen 2.771 N/A LEU 129.A N PHE 125.A O no hydrogen 2.972 N/A ARG 130.A N ASP 126.A O no hydrogen 3.358 N/A ASN 131.A N HIS 127.A O no hydrogen 3.117 N/A ASN 131.A ND2 HIS 127.A O no hydrogen 3.263 N/A ALA 132.A N LEU 129.A O no hydrogen 3.303 N/A ASN 136.A N ALA 194.A O no hydrogen 2.779 N/A TYR 138.A N VAL 192.A O no hydrogen 2.685 N/A TYR 138.A OH ASP 197.A OD1 no hydrogen 2.574 N/A LEU 139.A N SER 232.A O no hydrogen 3.020 N/A MET 140.A N ILE 190.A O no hydrogen 2.841 N/A LEU 141.A N GLY 230.A O no hydrogen 2.861 N/A LEU 142.A N PHE 188.A O no hydrogen 2.718 N/A ASP 143.A N THR 228.A O no hydrogen 3.227 N/A ILE 144.A N GLU 186.A O no hydrogen 3.179 N/A ASP 145.A N THR 226.A O no hydrogen 3.145 N/A ASN 151.A N PHE 147.A O no hydrogen 2.998 N/A ASP 152.A N LYS 148.A O no hydrogen 2.675 N/A THR 153.A N LEU 149.A O no hydrogen 2.623 N/A THR 153.A OG1 LEU 149.A O no hydrogen 2.711 N/A TYR 154.A N VAL 150.A O no hydrogen 2.970 N/A GLY 155.A N ASN 151.A O no hydrogen 2.844 N/A GLY 159.A N GLY 155.A O no hydrogen 3.247 N/A ASP 160.A N HIS 156.A O no hydrogen 2.649 N/A VAL 161.A N LEU 157.A O no hydrogen 2.980 N/A VAL 162.A N ILE 158.A O no hydrogen 3.047 N/A LEU 163.A N GLY 159.A O no hydrogen 3.207 N/A ARG 164.A N ASP 160.A O no hydrogen 3.072 N/A THR 165.A N VAL 161.A O no hydrogen 2.749 N/A THR 165.A OG1 VAL 161.A O no hydrogen 2.764 N/A LEU 166.A N VAL 162.A O no hydrogen 2.682 N/A ALA 167.A N LEU 163.A O no hydrogen 2.743 N/A THR 168.A N ARG 164.A O no hydrogen 2.883 N/A THR 168.A OG1 ARG 164.A O no hydrogen 2.830 N/A TYR 169.A N THR 165.A O no hydrogen 2.785 N/A LEU 170.A N LEU 166.A O no hydrogen 2.824 N/A ALA 171.A N ALA 167.A O no hydrogen 2.882 N/A SER 172.A N THR 168.A O no hydrogen 3.004 N/A SER 172.A OG THR 168.A O no hydrogen 3.442 N/A SER 172.A OG TYR 169.A O no hydrogen 2.436 N/A TRP 173.A N TYR 169.A O no hydrogen 2.791 N/A THR 174.A OG1 LEU 170.A O no hydrogen 3.016 N/A THR 174.A OG1 ALA 171.A O no hydrogen 3.093 N/A ARG 175.A NH1 TYR 177.A OH no hydrogen 3.142 N/A TYR 181.A N ILE 189.A O no hydrogen 2.821 N/A ARG 182.A N PRO 116.A O no hydrogen 2.783 N/A ARG 182.A NE GLY 184.A O no hydrogen 3.083 N/A ARG 182.A NE GLY 185.A O no hydrogen 3.420 N/A ARG 182.A NH1 ASP 110.A OD1 no hydrogen 3.022 N/A ARG 182.A NH1 ASP 110.A OD2 no hydrogen 3.493 N/A ARG 182.A NH2 GLY 185.A O no hydrogen 2.979 N/A TYR 183.A N GLU 187.A O no hydrogen 2.996 N/A GLY 184.A N GLU 187.A O no hydrogen 2.900 N/A PHE 188.A N LEU 142.A O no hydrogen 2.755 N/A ILE 189.A N TYR 181.A O no hydrogen 3.030 N/A ILE 190.A N MET 140.A O no hydrogen 2.857 N/A ILE 191.A N THR 179.A O no hydrogen 3.202 N/A VAL 192.A N TYR 138.A O no hydrogen 2.717 N/A LYS 193.A N GLU 178.A OE2 no hydrogen 3.049 N/A ALA 194.A N ASN 136.A O no hydrogen 2.918 N/A ALA 195.A N GLU 199.A OE1 no hydrogen 2.700 N/A GLU 199.A N ASN 196.A OD1 no hydrogen 2.764 N/A ALA 200.A N ASN 196.A O no hydrogen 3.248 N/A CYS 201.A N ASP 197.A O no hydrogen 3.017 N/A CYS 201.A SG ASP 197.A O no hydrogen 3.222 N/A ARG 202.A N GLU 198.A O no hydrogen 3.056 N/A ALA 203.A N GLU 199.A O no hydrogen 3.241 N/A GLY 204.A N ALA 200.A O no hydrogen 2.898 N/A VAL 205.A N CYS 201.A O no hydrogen 2.714 N/A ARG 206.A N ARG 202.A O no hydrogen 2.904 N/A ARG 206.A NH1 TRP 173.A O no hydrogen 3.465 N/A ARG 206.A NH2 TRP 173.A O no hydrogen 3.048 N/A ILE 207.A N ALA 203.A O no hydrogen 3.239 N/A CYS 208.A N GLY 204.A O no hydrogen 3.355 N/A CYS 208.A SG GLY 204.A O no hydrogen 3.461 N/A GLN 209.A N VAL 205.A O no hydrogen 3.188 N/A LEU 210.A N ARG 206.A O no hydrogen 2.967 N/A VAL 211.A N ILE 207.A O no hydrogen 2.892 N/A ASP 212.A N CYS 208.A O no hydrogen 3.006 N/A ASN 213.A N GLN 209.A O no hydrogen 2.528 N/A ASN 213.A ND2 GLN 209.A O no hydrogen 2.508 N/A HIS 214.A N VAL 211.A O no hydrogen 3.494 N/A ILE 216.A N ILE 223.A O no hydrogen 2.925 N/A HIS 218.A N GLY 221.A O no hydrogen 2.807 N/A GLY 221.A N HIS 218.A O no hydrogen 2.965 N/A ILE 223.A N ILE 216.A O no hydrogen 3.091 N/A THR 226.A OG1 ASP 145.A OD2 no hydrogen 2.962 N/A THR 228.A N ASP 143.A O no hydrogen 3.414 N/A THR 228.A OG1 ASP 145.A OD1 no hydrogen 2.559 N/A THR 228.A OG1 ASP 145.A OD2 no hydrogen 3.011 N/A ALA 229.A N ARG 261.A O no hydrogen 2.989 N/A GLY 230.A N LEU 141.A O no hydrogen 2.714 N/A VAL 231.A N MET 263.A O no hydrogen 2.899 N/A SER 232.A N LEU 139.A O no hydrogen 3.065 N/A ALA 234.A N LEU 137.A O no hydrogen 2.920 N/A GLU 238.A N PHE 235.A O no hydrogen 3.160 N/A VAL 242.A N PRO 239.A O no hydrogen 3.172 N/A ILE 244.A N LEU 240.A O no hydrogen 2.917 N/A GLY 245.A N ASP 241.A O no hydrogen 3.068 N/A ARG 246.A N VAL 242.A O no hydrogen 3.129 N/A ARG 246.A NH1 ARG 233.A O no hydrogen 2.890 N/A ARG 246.A NH2 ASP 266.A O no hydrogen 3.314 N/A ALA 247.A N VAL 243.A O no hydrogen 2.830 N/A ASP 248.A N ILE 244.A O no hydrogen 2.622 N/A ARG 249.A N GLY 245.A O no hydrogen 2.826 N/A ALA 250.A N ARG 246.A O no hydrogen 2.957 N/A MET 251.A N ALA 247.A O no hydrogen 3.047 N/A TYR 252.A N ASP 248.A O no hydrogen 2.907 N/A GLY 254.A N ALA 250.A O no hydrogen 3.469 N/A LYS 255.A N MET 251.A O no hydrogen 3.027 N/A LYS 255.A NZ ASP 143.A O no hydrogen 3.322 N/A LYS 255.A NZ ASP 143.A OD2 no hydrogen 3.292 N/A LYS 255.A NZ ASP 145.A OD1 no hydrogen 2.839 N/A GLN 256.A N TYR 252.A O no hydrogen 2.865 N/A THR 257.A N GLU 253.A O no hydrogen 2.894 N/A THR 257.A N GLY 254.A O no hydrogen 3.317 N/A THR 257.A OG1 GLU 253.A O no hydrogen 3.140 N/A THR 257.A OG1 GLY 254.A O no hydrogen 2.914 N/A ARG 259.A N GLY 254.A O no hydrogen 3.140 N/A ASN 260.A N ASP 145.A OD2 no hydrogen 3.136 N/A ASN 260.A N THR 228.A OG1 no hydrogen 3.233 N/A ARG 261.A NE ARG 259.A O no hydrogen 2.957 N/A CYS 262.A SG MET 263.A O no hydrogen 3.998 N/A MET 263.A N ALA 229.A O no hydrogen 3.043 N/A PHE 264.A N ASN 272.A O no hydrogen 3.003 N/A ILE 265.A N VAL 231.A O no hydrogen 3.300 N/A ASP 266.A N VAL 270.A O no hydrogen 3.054 N/A GLU 267.A N GLU 267.A OE1 no hydrogen 2.751 N/A ASN 269.A N ASP 266.A O no hydrogen 2.903 N/A VAL 270.A N ASP 266.A OD1 no hydrogen 2.645 N/A ASN 272.A N PHE 264.A O no hydrogen 2.904 N/A VAL 274.A N CYS 262.A O no hydrogen 3.013 N/A