Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gfg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 76.A O no hydrogen 2.888 N/A ASP 4.A N TYR 28.A OH no hydrogen 2.960 N/A ARG 5.A NE ARG 5.A O no hydrogen 3.161 N/A LYS 6.A N ASP 4.A OD1 no hydrogen 3.198 N/A LYS 6.A NZ ASP 4.A OD1 no hydrogen 2.984 N/A LYS 6.A NZ ASP 4.A OD2 no hydrogen 3.279 N/A LEU 7.A N ASP 4.A O no hydrogen 2.665 N/A LEU 8.A N ARG 5.A O no hydrogen 3.241 N/A THR 9.A N TYR 27.A O no hydrogen 2.824 N/A GLU 11.A N LYS 25.A O no hydrogen 2.969 N/A LEU 15.A N VAL 23.A O no hydrogen 2.804 N/A GLY 16.A N VAL 23.A O no hydrogen 3.111 N/A GLY 18.A N GLY 21.A O no hydrogen 3.308 N/A GLY 21.A N GLY 18.A O no hydrogen 2.550 N/A THR 22.A N ILE 41.A O no hydrogen 2.911 N/A VAL 23.A N GLY 16.A O no hydrogen 3.267 N/A LYS 24.A N VAL 39.A O no hydrogen 3.203 N/A LYS 24.A NZ GLU 11.A O no hydrogen 3.145 N/A LYS 25.A NZ GLU 90.A OE1 no hydrogen 3.104 N/A GLY 26.A N VAL 37.A O no hydrogen 3.087 N/A TYR 27.A N THR 9.A O no hydrogen 2.851 N/A TYR 27.A OH GLU 11.A OE2 no hydrogen 2.597 N/A TYR 28.A N LYS 35.A O no hydrogen 2.772 N/A GLN 29.A N LEU 7.A O no hydrogen 2.962 N/A GLN 29.A NE2 MET 30.A O no hydrogen 2.872 N/A LYS 35.A N TYR 28.A O no hydrogen 2.994 N/A VAL 37.A N GLY 26.A O no hydrogen 2.860 N/A ALA 38.A N MET 86.A O no hydrogen 2.796 N/A VAL 39.A N LYS 24.A O no hydrogen 3.066 N/A LYS 40.A N LEU 84.A O no hydrogen 2.758 N/A LYS 40.A NZ GLU 58.A OE2 no hydrogen 3.497 N/A LYS 40.A NZ ASP 150.A OD1 no hydrogen 3.108 N/A ILE 41.A N THR 22.A O no hydrogen 2.963 N/A LEU 42.A N TRP 82.A O no hydrogen 3.166 N/A LYS 43.A N PHE 20.A O no hydrogen 2.689 N/A LYS 43.A NZ ASN 19.A O no hydrogen 2.912 N/A ASN 47.A ND2 ALA 46.A O no hydrogen 3.308 N/A ASP 48.A N GLU 45.A O no hydrogen 3.388 N/A GLU 54.A N ALA 50.A O no hydrogen 3.302 N/A LEU 55.A N LEU 51.A O no hydrogen 3.061 N/A ALA 57.A N ASP 53.A O no hydrogen 2.966 N/A GLU 58.A N GLU 54.A O no hydrogen 2.812 N/A ALA 59.A N LEU 55.A O no hydrogen 2.974 N/A ASN 60.A N LEU 56.A O no hydrogen 2.939 N/A VAL 61.A N ALA 57.A O no hydrogen 2.789 N/A MET 62.A N GLU 58.A O no hydrogen 3.026 N/A GLN 63.A N ALA 59.A O no hydrogen 3.095 N/A GLN 64.A N VAL 61.A O no hydrogen 3.095 N/A GLN 64.A NE2 ASN 60.A O no hydrogen 3.244 N/A LEU 65.A N MET 62.A O no hydrogen 3.115 N/A ASP 66.A N TYR 122.A OH no hydrogen 2.818 N/A TYR 69.A N ASN 67.A OD1 no hydrogen 2.803 N/A ILE 70.A N ASN 67.A O no hydrogen 3.282 N/A VAL 71.A N ILE 148.A O no hydrogen 2.827 N/A ARG 72.A N GLU 87.A OE2 no hydrogen 2.927 N/A ARG 72.A NE ASN 67.A O no hydrogen 3.523 N/A ILE 74.A N VAL 85.A O no hydrogen 2.680 N/A GLY 75.A N VAL 85.A O no hydrogen 3.143 N/A ILE 76.A N VAL 1.A O no hydrogen 2.678 N/A CYS 77.A N MET 83.A O no hydrogen 3.044 N/A CYS 77.A SG LEU 3.A O no hydrogen 3.857 N/A ALA 79.A N SER 81.A O no hydrogen 3.075 N/A MET 83.A N CYS 77.A O no hydrogen 3.012 N/A LEU 84.A N LYS 40.A O no hydrogen 2.896 N/A VAL 85.A N GLY 75.A O no hydrogen 2.859 N/A MET 86.A N ALA 38.A O no hydrogen 2.797 N/A GLU 87.A N ARG 72.A O no hydrogen 2.965 N/A LEU 91.A N LEU 140.A O no hydrogen 3.003 N/A GLY 92.A N ALA 89.A O no hydrogen 3.208 N/A LEU 94.A N VAL 138.A O no hydrogen 2.672 N/A TYR 97.A N PRO 93.A O no hydrogen 3.165 N/A TYR 97.A OH GLN 143.A OE1 no hydrogen 2.789 N/A LEU 98.A N LEU 94.A O no hydrogen 3.076 N/A GLN 99.A N ASN 95.A O no hydrogen 3.081 N/A GLN 99.A NE2 GLY 207.A O no hydrogen 2.686 N/A GLN 100.A N LYS 96.A O no hydrogen 3.070 N/A GLN 100.A N TYR 97.A O no hydrogen 3.070 N/A ASN 101.A N LEU 98.A O no hydrogen 3.316 N/A ASN 101.A ND2 TYR 97.A O no hydrogen 2.643 N/A ARG 102.A NE GLN 99.A O no hydrogen 2.636 N/A VAL 104.A N ASN 101.A O no hydrogen 3.225 N/A ASN 108.A N LYS 105.A O no hydrogen 2.787 N/A ASN 108.A ND2 GLN 143.A O no hydrogen 3.016 N/A ILE 109.A N LYS 105.A O no hydrogen 3.026 N/A ILE 110.A N ASP 106.A O no hydrogen 2.998 N/A GLU 111.A N LYS 107.A O no hydrogen 3.061 N/A LEU 112.A N ASN 108.A O no hydrogen 3.113 N/A VAL 113.A N ILE 109.A O no hydrogen 3.145 N/A HIS 114.A N ILE 110.A O no hydrogen 2.946 N/A HIS 114.A NE2 GLU 261.A OE2 no hydrogen 2.674 N/A GLN 115.A N GLU 111.A O no hydrogen 3.075 N/A GLN 115.A NE2 HIS 144.A O no hydrogen 2.902 N/A VAL 116.A N LEU 112.A O no hydrogen 3.157 N/A SER 117.A N VAL 113.A O no hydrogen 3.026 N/A SER 117.A OG HIS 114.A O no hydrogen 2.549 N/A MET 118.A N HIS 114.A O no hydrogen 2.999 N/A GLY 119.A N GLN 115.A O no hydrogen 3.159 N/A MET 120.A N VAL 116.A O no hydrogen 2.887 N/A LYS 121.A N SER 117.A O no hydrogen 2.623 N/A TYR 122.A N MET 118.A O no hydrogen 3.027 N/A LEU 123.A N GLY 119.A O no hydrogen 2.949 N/A GLU 124.A N MET 120.A O no hydrogen 2.745 N/A GLU 125.A N LYS 121.A O no hydrogen 2.937 N/A SER 126.A N TYR 122.A O no hydrogen 3.054 N/A SER 126.A N LEU 123.A O no hydrogen 3.184 N/A SER 126.A OG TYR 122.A O no hydrogen 2.924 N/A ASN 127.A N GLU 124.A O no hydrogen 2.752 N/A PHE 128.A N LEU 123.A O no hydrogen 3.165 N/A VAL 129.A N LYS 155.A O no hydrogen 2.866 N/A HIS 130.A N ASP 192.A OD2 no hydrogen 2.895 N/A HIS 130.A NE2 SER 149.A O no hydrogen 2.942 N/A ARG 131.A N ASP 192.A OD1 no hydrogen 3.100 N/A ARG 131.A NH1 LEU 153.A O no hydrogen 2.705 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 2.899 N/A ALA 135.A N GLU 202.A OE1 no hydrogen 3.027 N/A ASN 137.A N ALA 134.A O no hydrogen 3.020 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.739 N/A VAL 138.A N ALA 135.A O no hydrogen 3.221 N/A LEU 139.A N LYS 147.A O no hydrogen 2.777 N/A LEU 140.A N GLY 92.A O no hydrogen 2.990 N/A VAL 141.A N TYR 145.A O no hydrogen 2.741 N/A THR 142.A N TYR 145.A O no hydrogen 3.422 N/A GLN 143.A NE2 ASN 108.A OD1 no hydrogen 3.083 N/A HIS 144.A N THR 142.A OG1 no hydrogen 2.934 N/A HIS 144.A ND1 GLU 111.A OE1 no hydrogen 2.694 N/A TYR 145.A N THR 142.A O no hydrogen 3.072 N/A TYR 145.A OH PRO 68.A O no hydrogen 2.357 N/A ALA 146.A N GLN 115.A OE1 no hydrogen 2.780 N/A LYS 147.A N LEU 139.A O no hydrogen 2.840 N/A LYS 147.A NZ PRO 68.A O no hydrogen 3.231 N/A LYS 147.A NZ GLU 87.A OE2 no hydrogen 3.016 N/A LYS 147.A NZ TYR 145.A OH no hydrogen 3.276 N/A ILE 148.A N TYR 69.A O no hydrogen 2.787 N/A SER 149.A N ASN 137.A O no hydrogen 3.049 N/A SER 149.A OG ASN 137.A O no hydrogen 3.569 N/A SER 149.A OG ASP 150.A OD2 no hydrogen 2.643 N/A SER 154.A N PHE 151.A O no hydrogen 3.320 N/A SER 154.A OG HIS 130.A O no hydrogen 3.218 N/A LYS 155.A N VAL 129.A O no hydrogen 2.983 N/A LEU 157.A N ASN 127.A O no hydrogen 3.028 N/A ARG 158.A NE ASP 160.A OD1 no hydrogen 2.866 N/A ARG 158.A NH1 ASP 160.A OD1 no hydrogen 3.111 N/A ARG 158.A NH1 ASP 160.A OD2 no hydrogen 2.528 N/A GLU 161.A N ARG 158.A O no hydrogen 3.209 N/A TYR 164.A N PHE 187.A O no hydrogen 2.669 N/A LYS 165.A NZ ALA 166.A O no hydrogen 2.791 N/A ALA 166.A N TYR 185.A O no hydrogen 3.038 N/A HIS 169.A ND1 GLY 170.A O no hydrogen 2.703 N/A VAL 174.A N TRP 172.A O no hydrogen 2.532 N/A LYS 175.A NZ TYR 211.A O no hydrogen 3.335 N/A LYS 175.A NZ MET 214.A O no hydrogen 3.178 N/A TRP 176.A N PRO 173.A O no hydrogen 2.894 N/A TRP 176.A NE1 GLU 202.A OE1 no hydrogen 2.848 N/A TYR 177.A N VAL 174.A O no hydrogen 3.091 N/A TYR 177.A OH ARG 131.A O no hydrogen 2.807 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.905 N/A CYS 181.A N ALA 178.A O no hydrogen 2.919 N/A CYS 181.A SG LYS 186.A O no hydrogen 3.720 N/A ILE 182.A N ALA 178.A O no hydrogen 3.384 N/A ASN 183.A N PRO 179.A O no hydrogen 2.798 N/A TYR 184.A N GLU 180.A O no hydrogen 2.909 N/A LYS 186.A N GLU 180.A O no hydrogen 3.356 N/A PHE 187.A N TYR 164.A O no hydrogen 2.814 N/A SER 188.A N SER 191.A OG no hydrogen 2.982 N/A LYS 190.A NZ VAL 251.A O no hydrogen 3.017 N/A LYS 190.A NZ ARG 254.A O no hydrogen 2.482 N/A SER 191.A N SER 188.A O no hydrogen 3.106 N/A SER 191.A OG SER 188.A O no hydrogen 2.745 N/A ASP 192.A N SER 188.A O no hydrogen 3.202 N/A VAL 193.A N SER 189.A O no hydrogen 2.833 N/A TRP 194.A N LYS 190.A O no hydrogen 3.124 N/A SER 195.A N SER 191.A O no hydrogen 3.121 N/A SER 195.A OG TRP 176.A O no hydrogen 2.448 N/A SER 195.A OG SER 191.A O no hydrogen 3.533 N/A PHE 196.A N ASP 192.A O no hydrogen 2.808 N/A GLY 197.A N VAL 193.A O no hydrogen 3.106 N/A VAL 198.A N TRP 194.A O no hydrogen 3.305 N/A LEU 199.A N SER 195.A O no hydrogen 2.797 N/A MET 200.A N PHE 196.A O no hydrogen 2.780 N/A TRP 201.A N GLY 197.A O no hydrogen 3.188 N/A TRP 201.A NE1 GLY 230.A O no hydrogen 3.136 N/A GLU 202.A N VAL 198.A O no hydrogen 2.915 N/A ALA 203.A N LEU 199.A O no hydrogen 2.927 N/A PHE 204.A N MET 200.A O no hydrogen 2.874 N/A SER 205.A N TRP 201.A O no hydrogen 2.953 N/A SER 205.A N GLU 202.A O no hydrogen 3.118 N/A SER 205.A OG TRP 201.A O no hydrogen 2.735 N/A TYR 206.A N ALA 203.A O no hydrogen 3.014 N/A TYR 206.A OH VAL 104.A O no hydrogen 2.738 N/A GLY 207.A N GLU 202.A O no hydrogen 2.902 N/A GLN 208.A N SER 205.A O no hydrogen 3.284 N/A MET 214.A N TYR 211.A O no hydrogen 3.190 N/A LYS 215.A N GLU 218.A OE1 no hydrogen 3.088 N/A VAL 219.A N LYS 215.A O no hydrogen 2.993 N/A THR 220.A N GLY 216.A O no hydrogen 2.924 N/A THR 220.A OG1 GLY 216.A O no hydrogen 3.161 N/A ALA 221.A N SER 217.A O no hydrogen 2.741 N/A MET 222.A N GLU 218.A O no hydrogen 2.950 N/A LEU 223.A N VAL 219.A O no hydrogen 3.130 N/A GLU 224.A N THR 220.A O no hydrogen 3.162 N/A LYS 225.A N ALA 221.A O no hydrogen 3.334 N/A GLY 226.A N LEU 223.A O no hydrogen 2.916 N/A GLU 227.A N MET 222.A O no hydrogen 3.142 N/A ARG 228.A NE TRP 247.A O no hydrogen 3.281 N/A ARG 228.A NH1 LEU 223.A O no hydrogen 3.275 N/A ARG 228.A NH1 GLU 227.A O no hydrogen 3.201 N/A ARG 228.A NH2 TRP 247.A O no hydrogen 2.719 N/A CYS 231.A SG PRO 232.A O no hydrogen 3.606 N/A CYS 231.A SG CYS 235.A O no hydrogen 3.518 N/A CYS 235.A N PRO 232.A O no hydrogen 3.076 N/A CYS 235.A SG PRO 236.A O no hydrogen 3.623 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.676 N/A MET 239.A N PRO 236.A O no hydrogen 2.894 N/A TYR 240.A N PRO 236.A O no hydrogen 3.065 N/A TYR 240.A OH MET 229.A O no hydrogen 2.685 N/A ASP 241.A N ARG 237.A O no hydrogen 2.929 N/A LEU 242.A N GLU 238.A O no hydrogen 3.325 N/A MET 243.A N MET 239.A O no hydrogen 3.150 N/A ASN 244.A N TYR 240.A O no hydrogen 3.142 N/A ASN 244.A ND2 TYR 240.A O no hydrogen 3.340 N/A LEU 245.A N ASP 241.A O no hydrogen 2.990 N/A CYS 246.A N LEU 242.A O no hydrogen 3.027 N/A CYS 246.A N MET 243.A O no hydrogen 2.979 N/A CYS 246.A SG LEU 242.A O no hydrogen 3.290 N/A TRP 247.A N MET 243.A O no hydrogen 3.131 N/A THR 248.A OG1 LEU 245.A O no hydrogen 2.697 N/A ASN 253.A N ASP 250.A O no hydrogen 2.889 N/A ASN 253.A N ASP 250.A OD1 no hydrogen 2.904 N/A ARG 254.A N VAL 251.A O no hydrogen 2.959 N/A ARG 254.A NE THR 248.A O no hydrogen 2.835 N/A ARG 254.A NH1 GLU 180.A OE1 no hydrogen 3.558 N/A ARG 254.A NH1 GLU 180.A OE2 no hydrogen 2.667 N/A ARG 254.A NH1 LYS 190.A O no hydrogen 2.950 N/A ARG 254.A NH2 GLU 180.A OE1 no hydrogen 2.781 N/A ARG 254.A NH2 GLU 180.A OE2 no hydrogen 3.471 N/A ARG 254.A NH2 THR 248.A O no hydrogen 3.151 N/A ARG 254.A NH2 TYR 249.A O no hydrogen 3.170 N/A PHE 257.A N GLU 124.A OE2 no hydrogen 2.891 N/A VAL 260.A N GLY 256.A O no hydrogen 3.112 N/A GLU 261.A N PHE 257.A O no hydrogen 2.634 N/A LEU 262.A N ALA 258.A O no hydrogen 3.069 N/A ARG 263.A N ALA 259.A O no hydrogen 3.067 N/A LEU 264.A N VAL 260.A O no hydrogen 3.108 N/A ARG 265.A N GLU 261.A O no hydrogen 2.816 N/A ARG 265.A NE GLU 261.A OE2 no hydrogen 3.253 N/A ARG 265.A NH2 GLU 261.A OE1 no hydrogen 2.820 N/A ASN 266.A N LEU 262.A O no hydrogen 3.014 N/A TYR 267.A N ARG 263.A O no hydrogen 3.290 N/A TYR 267.A OH GLU 238.A OE1 no hydrogen 3.216 N/A TYR 268.A N LEU 264.A O no hydrogen 2.954 N/A TYR 269.A N ARG 265.A O no hydrogen 3.288 N/A ASP 270.A N ASN 266.A O no hydrogen 2.989 N/A VAL 271.A N TYR 267.A O no hydrogen 3.098 N/A VAL 272.A N TYR 268.A O no hydrogen 2.864 N/A ASN 273.A N TYR 269.A O no hydrogen 2.810 N/A GLU 274.A N ASP 270.A O no hydrogen 3.057 N/A GLY 275.A N VAL 271.A O no hydrogen 3.023 N/A HIS 276.A N VAL 272.A O no hydrogen 3.391 N/A HIS 276.A N ASN 273.A O no hydrogen 3.146 N/A HIS 277.A N GLU 274.A O no hydrogen 2.992 N/A