Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i4f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH ALA 55.A O no hydrogen 2.556 N/A ILE 3.A N VAL 72.A O no hydrogen 2.900 N/A ARG 5.A NH1 GLU 75.A O no hydrogen 2.670 N/A ARG 5.A NH1 PRO 77.A O no hydrogen 2.837 N/A ARG 5.A NH2 PRO 77.A O no hydrogen 2.768 N/A GLU 6.A N GLU 6.A OE2 no hydrogen 2.723 N/A ARG 7.A N GLN 4.A O no hydrogen 3.021 N/A ARG 7.A NH2 MET 28.A O no hydrogen 3.299 N/A ILE 8.A N ARG 5.A O no hydrogen 2.938 N/A GLU 9.A N ILE 26.A O no hydrogen 2.833 N/A GLY 11.A N GLN 24.A O no hydrogen 2.700 N/A CYS 13.A SG GLY 15.A O no hydrogen 3.818 N/A CYS 13.A SG VAL 22.A O no hydrogen 3.912 N/A ILE 14.A N VAL 22.A O no hydrogen 2.738 N/A GLY 15.A N VAL 22.A O no hydrogen 3.139 N/A GLU 16.A N GLY 149.A O no hydrogen 3.130 N/A GLY 17.A N GLY 20.A O no hydrogen 2.931 N/A GLY 20.A N GLY 17.A O no hydrogen 3.453 N/A VAL 22.A N GLY 15.A O no hydrogen 2.939 N/A HIS 23.A N ILE 36.A O no hydrogen 2.892 N/A HIS 23.A ND1 GLY 11.A O no hydrogen 2.960 N/A GLN 24.A N ARG 12.A O no hydrogen 2.826 N/A GLY 25.A N VAL 34.A O no hydrogen 3.019 N/A ILE 26.A N GLU 9.A O no hydrogen 2.896 N/A TYR 27.A N LEU 32.A O no hydrogen 2.755 N/A MET 28.A N ARG 7.A O no hydrogen 2.855 N/A LEU 32.A N TYR 27.A O no hydrogen 3.051 N/A VAL 34.A N GLY 25.A O no hydrogen 3.024 N/A ALA 35.A N MET 82.A O no hydrogen 2.778 N/A ILE 36.A N HIS 23.A O no hydrogen 2.801 N/A LYS 37.A N ILE 80.A O no hydrogen 2.790 N/A LYS 37.A NZ ASP 147.A OD1 no hydrogen 2.670 N/A LYS 37.A NZ ASP 147.A OD2 no hydrogen 3.150 N/A THR 38.A N ASP 21.A O no hydrogen 2.953 N/A THR 38.A OG1 ASP 21.A O no hydrogen 2.821 N/A LYS 40.A N PHE 19.A O no hydrogen 2.874 N/A SER 44.A N ASN 41.A O no hydrogen 3.062 N/A SER 44.A OG ASN 41.A O no hydrogen 3.518 N/A ARG 48.A N SER 44.A O no hydrogen 2.857 N/A GLU 49.A N ASP 45.A O no hydrogen 2.704 N/A LYS 50.A N SER 46.A O no hydrogen 3.436 N/A PHE 51.A N VAL 47.A O no hydrogen 2.799 N/A LEU 52.A N ARG 48.A O no hydrogen 3.135 N/A GLN 53.A N LYS 50.A O no hydrogen 3.417 N/A LEU 56.A N LEU 52.A O no hydrogen 3.095 N/A LEU 56.A N GLN 53.A O no hydrogen 3.090 N/A THR 57.A N GLN 53.A O no hydrogen 2.957 N/A THR 57.A OG1 GLN 53.A O no hydrogen 3.179 N/A THR 57.A OG1 GLN 53.A OE1 no hydrogen 2.710 N/A MET 58.A N GLU 54.A O no hydrogen 2.631 N/A ARG 59.A N LEU 56.A O no hydrogen 3.368 N/A PHE 61.A N MET 58.A O no hydrogen 2.924 N/A ASP 62.A N TYR 119.A OH no hydrogen 2.978 N/A HIS 65.A N HIS 63.A ND1 no hydrogen 3.063 N/A HIS 65.A ND1 VAL 143.A O no hydrogen 2.934 N/A ILE 66.A N HIS 63.A O no hydrogen 3.176 N/A VAL 67.A N LEU 145.A O no hydrogen 3.021 N/A LYS 68.A N GLU 83.A OE1 no hydrogen 2.686 N/A LYS 68.A NZ.A PHE 61.A O no hydrogen 3.306 N/A ILE 70.A N ILE 81.A O no hydrogen 2.751 N/A GLY 71.A N ILE 81.A O no hydrogen 3.151 N/A VAL 72.A N TYR 1.A O no hydrogen 2.906 N/A ILE 73.A N TRP 79.A O no hydrogen 2.838 N/A THR 74.A N GLU 2.A OE1 no hydrogen 2.929 N/A THR 74.A OG1 GLU 2.A OE1 no hydrogen 3.392 N/A THR 74.A OG1 GLU 2.A OE2 no hydrogen 3.021 N/A TRP 79.A N ILE 73.A O no hydrogen 2.996 N/A ILE 80.A N LYS 37.A O no hydrogen 3.024 N/A ILE 81.A N GLY 71.A O no hydrogen 2.769 N/A MET 82.A N ALA 35.A O no hydrogen 2.876 N/A GLU 83.A N LYS 68.A O no hydrogen 2.978 N/A LEU 87.A N VAL 137.A O no hydrogen 3.085 N/A GLY 88.A N CYS 85.A O no hydrogen 3.179 N/A LEU 90.A N VAL 135.A O no hydrogen 2.854 N/A ARG 91.A NH1 GLU 183.A OE1 no hydrogen 2.734 N/A ARG 91.A NH1 GLY 188.A O no hydrogen 2.890 N/A ARG 91.A NH2 GLU 183.A OE1 no hydrogen 2.861 N/A SER 92.A OG.A GLU 89.A O no hydrogen 3.391 N/A PHE 93.A N GLU 89.A O no hydrogen 3.123 N/A LEU 94.A N LEU 90.A O no hydrogen 2.894 N/A GLN 95.A N ARG 91.A O no hydrogen 3.076 N/A VAL 96.A N SER 92.A O no hydrogen 2.980 N/A ARG 97.A N PHE 93.A O no hydrogen 3.037 N/A ARG 97.A NE SER 100.A OG no hydrogen 3.256 N/A ARG 97.A NH1 SER 100.A O no hydrogen 2.963 N/A LYS 98.A N GLN 95.A O no hydrogen 3.301 N/A SER 100.A N ARG 97.A O no hydrogen 3.098 N/A LEU 101.A N ARG 97.A O no hydrogen 3.136 N/A SER 105.A OG ASP 102.A OD1 no hydrogen 2.495 N/A LEU 106.A N ASP 102.A O no hydrogen 3.338 N/A ILE 107.A N LEU 103.A O no hydrogen 2.988 N/A LEU 108.A N ALA 104.A O no hydrogen 2.932 N/A TYR 109.A N SER 105.A O no hydrogen 3.051 N/A TYR 109.A OH ASN 140.A O no hydrogen 2.745 N/A ALA 110.A N LEU 106.A O no hydrogen 3.357 N/A TYR 111.A N ILE 107.A O no hydrogen 2.912 N/A GLN 112.A N LEU 108.A O no hydrogen 2.822 N/A GLN 112.A NE2 ASP 141.A O no hydrogen 2.747 N/A LEU 113.A N TYR 109.A O no hydrogen 3.001 N/A SER 114.A N ALA 110.A O no hydrogen 3.032 N/A SER 114.A OG TYR 111.A O no hydrogen 2.660 N/A THR 115.A N TYR 111.A O no hydrogen 3.105 N/A THR 115.A OG1 GLN 112.A O no hydrogen 2.590 N/A ALA 116.A N GLN 112.A O no hydrogen 3.136 N/A LEU 117.A N LEU 113.A O no hydrogen 2.917 N/A ALA 118.A N SER 114.A O no hydrogen 2.920 N/A TYR 119.A N THR 115.A O no hydrogen 3.078 N/A LEU 120.A N ALA 116.A O no hydrogen 2.983 N/A GLU 121.A N LEU 117.A O no hydrogen 3.048 N/A SER 122.A N ALA 118.A O no hydrogen 2.945 N/A SER 122.A OG TYR 119.A O no hydrogen 2.460 N/A LYS 123.A N TYR 119.A O no hydrogen 3.067 N/A LYS 123.A N LEU 120.A O no hydrogen 2.935 N/A ARG 124.A N GLU 121.A O no hydrogen 3.038 N/A PHE 125.A N LEU 120.A O no hydrogen 3.067 N/A HIS 127.A ND1 GLU 54.A OE2 no hydrogen 3.245 N/A ILE 130.A N ARG 128.A O no hydrogen 2.861 N/A ALA 132.A N ASP 129.A O no hydrogen 3.068 N/A ARG 133.A N ILE 130.A O no hydrogen 3.205 N/A ARG 133.A NH1 ASP 173.A OD2 no hydrogen 2.969 N/A ARG 133.A NH2 HIS 127.A O no hydrogen 2.871 N/A ARG 133.A NH2 ASP 173.A OD2 no hydrogen 2.906 N/A ASN 134.A N GLY 146.A O no hydrogen 3.105 N/A ASN 134.A ND2 GLU 89.A OE2 no hydrogen 3.058 N/A ASN 134.A ND2 PHE 148.A O no hydrogen 2.878 N/A VAL 135.A N ASN 134.A OD1 no hydrogen 2.905 N/A LEU 136.A N LYS 144.A O no hydrogen 2.836 N/A VAL 137.A N GLY 88.A O no hydrogen 2.765 N/A SER 138.A N CYS 142.A O no hydrogen 2.962 N/A SER 138.A OG CYS 142.A O no hydrogen 3.462 N/A SER 139.A N CYS 142.A O no hydrogen 3.179 N/A SER 139.A OG ASP 141.A OD2 no hydrogen 2.573 N/A ASP 141.A N SER 139.A OG no hydrogen 3.321 N/A CYS 142.A N SER 139.A O no hydrogen 3.073 N/A CYS 142.A SG PRO 64.A O no hydrogen 3.649 N/A CYS 142.A SG HIS 65.A ND1 no hydrogen 3.610 N/A CYS 142.A SG SER 138.A OG no hydrogen 3.408 N/A CYS 142.A SG VAL 143.A O no hydrogen 3.854 N/A VAL 143.A N GLN 112.A OE1 no hydrogen 3.090 N/A LYS 144.A N LEU 136.A O no hydrogen 2.735 N/A LYS 144.A NZ PRO 64.A O no hydrogen 3.244 N/A LYS 144.A NZ GLU 83.A OE1 no hydrogen 3.298 N/A LYS 144.A NZ GLU 83.A OE2 no hydrogen 2.665 N/A LEU 145.A N HIS 65.A O no hydrogen 2.780 N/A GLY 146.A N ASN 134.A O no hydrogen 2.902 N/A GLY 149.A N GLU 16.A O no hydrogen 2.772 N/A LEU 150.A N GLU 89.A OE2 no hydrogen 3.132 N/A SER 151.A N ILE 14.A O no hydrogen 2.786 N/A ILE 155.A N LEU 153.A O no hydrogen 2.847 N/A LYS 156.A NZ PHE 192.A O no hydrogen 3.075 N/A LYS 156.A NZ VAL 195.A O no hydrogen 2.859 N/A TRP 157.A N PRO 154.A O no hydrogen 2.928 N/A TRP 157.A NE1 GLU 183.A OE1 no hydrogen 3.173 N/A TRP 157.A NE1 GLU 183.A OE2 no hydrogen 2.922 N/A MET 158.A N ILE 155.A O no hydrogen 3.094 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.717 N/A SER 162.A N ALA 159.A O no hydrogen 2.926 N/A SER 162.A OG ARG 167.A O no hydrogen 2.844 N/A ILE 163.A N ALA 159.A O no hydrogen 3.036 N/A ASN 164.A N PRO 160.A O no hydrogen 2.854 N/A PHE 165.A N GLU 161.A O no hydrogen 2.961 N/A ARG 166.A N SER 162.A O no hydrogen 2.961 N/A ARG 166.A NH2 SER 162.A O no hydrogen 3.279 N/A ARG 167.A N GLU 161.A O no hydrogen 3.170 N/A THR 169.A N SER 172.A OG.B no hydrogen 2.805 N/A THR 169.A N SER 172.A OG.C no hydrogen 2.894 N/A THR 169.A OG1 SER 172.A OG.C no hydrogen 3.357 N/A SER 170.A OG GLU 121.A OE1 no hydrogen 2.778 N/A ALA 171.A N THR 169.A OG1 no hydrogen 3.045 N/A SER 172.A N THR 169.A OG1 no hydrogen 3.355 N/A SER 172.A OG.B THR 169.A O no hydrogen 2.634 N/A SER 172.A OG.C GLU 161.A OE2 no hydrogen 3.199 N/A SER 172.A OG.C ARG 167.A O no hydrogen 3.604 N/A SER 172.A OG.C THR 169.A O no hydrogen 3.323 N/A SER 172.A OG.C THR 169.A OG1 no hydrogen 3.357 N/A ASP 173.A N THR 169.A O no hydrogen 3.064 N/A VAL 174.A N SER 170.A O no hydrogen 2.884 N/A TRP 175.A N ALA 171.A O no hydrogen 3.169 N/A MET 176.A N SER 172.A O no hydrogen 3.166 N/A PHE 177.A N ASP 173.A O no hydrogen 2.913 N/A GLY 178.A N VAL 174.A O no hydrogen 2.939 N/A VAL 179.A N TRP 175.A O no hydrogen 3.129 N/A CYS 180.A N MET 176.A O no hydrogen 2.910 N/A MET 181.A N PHE 177.A O no hydrogen 2.854 N/A TRP 182.A N GLY 178.A O no hydrogen 3.010 N/A TRP 182.A NE1 PRO 211.A O no hydrogen 2.803 N/A GLU 183.A N VAL 179.A O no hydrogen 2.889 N/A ILE 184.A N CYS 180.A O no hydrogen 2.943 N/A LEU 185.A N MET 181.A O no hydrogen 2.970 N/A MET 186.A N TRP 182.A O no hydrogen 2.837 N/A HIS 187.A N ILE 184.A O no hydrogen 3.027 N/A GLY 188.A N GLU 183.A O no hydrogen 2.821 N/A VAL 189.A N MET 186.A O no hydrogen 3.388 N/A VAL 195.A N PHE 192.A O no hydrogen 3.008 N/A ASP 199.A N LYS 196.A O no hydrogen 2.822 N/A VAL 200.A N ASN 197.A O no hydrogen 3.106 N/A ARG 203.A N ASP 199.A O no hydrogen 3.315 N/A ILE 204.A N VAL 200.A O no hydrogen 3.076 N/A GLU 205.A N ILE 201.A O no hydrogen 2.907 N/A ASN 206.A N GLY 202.A O no hydrogen 3.018 N/A ASN 206.A N ARG 203.A O no hydrogen 3.170 N/A GLY 207.A N ILE 204.A O no hydrogen 2.904 N/A GLU 208.A N ARG 203.A O no hydrogen 2.944 N/A ARG 209.A NE TRP 228.A O no hydrogen 3.101 N/A ARG 209.A NH1 ILE 204.A O no hydrogen 2.961 N/A ARG 209.A NH1 GLU 208.A O no hydrogen 2.792 N/A ARG 209.A NH2 TRP 228.A O no hydrogen 3.043 N/A CYS 216.A N PRO 213.A O no hydrogen 2.980 N/A CYS 216.A SG PRO 217.A O no hydrogen 3.404 N/A TYR 221.A N PRO 217.A O no hydrogen 3.032 N/A TYR 221.A OH LEU 210.A O no hydrogen 2.665 N/A SER 222.A N PRO 218.A O no hydrogen 2.839 N/A LEU 223.A N THR 219.A O no hydrogen 3.126 N/A MET 224.A N LEU 220.A O no hydrogen 3.013 N/A THR 225.A N TYR 221.A O no hydrogen 2.920 N/A THR 225.A OG1 SER 222.A O no hydrogen 2.553 N/A LYS 226.A N SER 222.A O no hydrogen 3.035 N/A CYS 227.A N LEU 223.A O no hydrogen 3.180 N/A CYS 227.A SG LEU 223.A O no hydrogen 3.496 N/A TRP 228.A N THR 225.A O no hydrogen 3.106 N/A ALA 229.A N LYS 226.A O no hydrogen 3.247 N/A TYR 230.A OH GLU 205.A OE1.A no hydrogen 2.511 N/A SER 233.A N ASP 231.A OD2 no hydrogen 3.020 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 3.141 N/A SER 233.A OG ASP 231.A OD2 no hydrogen 2.657 N/A ARG 234.A N ASP 231.A O no hydrogen 2.874 N/A ARG 235.A N PRO 232.A O no hydrogen 3.142 N/A ARG 235.A NE ALA 229.A O no hydrogen 2.800 N/A ARG 235.A NH1 GLU 161.A OE1 no hydrogen 2.992 N/A ARG 235.A NH1 ALA 229.A O no hydrogen 3.010 N/A ARG 235.A NH2 GLU 161.A OE2 no hydrogen 2.821 N/A ARG 235.A NH2 ALA 171.A O no hydrogen 2.942 N/A LEU 241.A N ARG 237.A O no hydrogen 3.009 N/A LYS 242.A N PHE 238.A O no hydrogen 2.943 N/A ALA 243.A N THR 239.A O no hydrogen 3.127 N/A GLN 244.A N GLU 240.A O no hydrogen 2.938 N/A LEU 245.A N LEU 241.A O no hydrogen 2.803 N/A SER 246.A N LYS 242.A O no hydrogen 3.094 N/A THR 247.A N ALA 243.A O no hydrogen 3.250 N/A THR 247.A OG1 GLN 244.A O no hydrogen 2.410 N/A ILE 248.A N GLN 244.A O no hydrogen 3.040 N/A LEU 249.A N LEU 245.A O no hydrogen 2.919 N/A GLU 250.A N SER 246.A O no hydrogen 3.193 N/A GLU 251.A N THR 247.A O no hydrogen 3.192 N/A GLU 252.A N ILE 248.A O no hydrogen 3.064 N/A LYS 253.A N LEU 249.A O no hydrogen 2.983 N/A ALA 254.A N GLU 250.A O no hydrogen 3.114 N/A ALA 254.A N GLU 251.A O no hydrogen 3.216 N/A GLN 255.A N GLU 252.A O no hydrogen 3.127 N/A GLN 255.A NE2 GLU 251.A O no hydrogen 3.086 N/A