Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5f1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 265.A OE1 no hydrogen 3.074 N/A GLY 1.A N GLU 265.A OE2 no hydrogen 3.176 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.387 N/A SER 4.A OG SER 2.A O no hydrogen 3.255 N/A SER 4.A OG ASP 29.A OD1 no hydrogen 3.224 N/A LEU 5.A N CYS 101.A O no hydrogen 3.002 N/A ARG 6.A N TYR 27.A O no hydrogen 3.001 N/A TYR 7.A N TYR 99.A O no hydrogen 2.782 N/A PHE 8.A N VAL 25.A O no hydrogen 3.041 N/A TYR 9.A N THR 97.A O no hydrogen 2.903 N/A THR 10.A N ILE 23.A O no hydrogen 2.738 N/A SER 11.A N ILE 95.A O no hydrogen 2.807 N/A VAL 12.A N ARG 21.A O no hydrogen 2.993 N/A SER 13.A N HIS 93.A O no hydrogen 2.908 N/A SER 13.A OG HIS 93.A O no hydrogen 3.277 N/A ARG 14.A NH1 ASP 19.A O no hydrogen 2.523 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.505 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.112 N/A GLY 18.A N GLY 16.A O no hydrogen 2.567 N/A ARG 21.A N VAL 12.A O no hydrogen 3.042 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.602 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.169 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.524 N/A PHE 22.A N SER 38.A OG no hydrogen 3.126 N/A ILE 23.A N THR 10.A O no hydrogen 2.881 N/A ALA 24.A N PHE 36.A O no hydrogen 3.059 N/A VAL 25.A N PHE 8.A O no hydrogen 3.174 N/A GLY 26.A N VAL 34.A O no hydrogen 3.119 N/A TYR 27.A N ARG 6.A O no hydrogen 2.984 N/A VAL 28.A N THR 31.A O no hydrogen 3.009 N/A ASP 29.A N SER 4.A O no hydrogen 3.027 N/A THR 31.A N VAL 28.A O no hydrogen 2.947 N/A THR 31.A OG1 TYR 210.A OH no hydrogen 2.358 N/A PHE 33.A N GLY 26.A O no hydrogen 3.072 N/A ARG 35.A N GLU 46.A O no hydrogen 3.067 N/A PHE 36.A N ALA 24.A O no hydrogen 2.771 N/A SER 38.A N PHE 22.A O no hydrogen 3.100 N/A SER 38.A OG PHE 22.A O no hydrogen 3.567 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 3.006 N/A ALA 40.A N ASP 37.A O no hydrogen 3.000 N/A THR 42.A OG1 GLU 46.A OE1 no hydrogen 3.182 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 2.901 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 2.856 N/A THR 45.A N THR 64.A OG1 no hydrogen 3.254 N/A GLU 46.A N ARG 35.A O no hydrogen 2.987 N/A ARG 48.A N PHE 33.A O no hydrogen 2.594 N/A GLU 53.A N PRO 50.A O no hydrogen 3.082 N/A GLN 54.A NE2 TRP 51.A O no hydrogen 3.181 N/A GLU 55.A N VAL 52.A O no hydrogen 3.190 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.712 N/A TYR 59.A N GLY 56.A O no hydrogen 3.153 N/A TYR 59.A OH TYR 172.A OH no hydrogen 2.552 N/A ASP 61.A N PRO 57.A O no hydrogen 2.736 N/A GLY 62.A N GLU 58.A O no hydrogen 2.810 N/A GLU 63.A N TYR 59.A O no hydrogen 2.509 N/A THR 64.A N TRP 60.A O no hydrogen 2.495 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.611 N/A ARG 65.A N ASP 61.A O no hydrogen 2.797 N/A LYS 66.A N GLY 62.A O no hydrogen 3.327 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.749 N/A VAL 67.A N GLU 63.A O no hydrogen 3.180 N/A LYS 68.A NZ GLY 43.A O no hydrogen 3.101 N/A THR 70.A N LYS 66.A O no hydrogen 3.159 N/A THR 70.A OG1 LYS 66.A O no hydrogen 3.253 N/A ALA 71.A N VAL 67.A O no hydrogen 3.272 N/A GLN 72.A N LYS 68.A O no hydrogen 3.141 N/A VAL 73.A N GLU 69.A O no hydrogen 3.192 N/A TYR 74.A N THR 70.A O no hydrogen 2.897 N/A TYR 74.A OH THR 97.A OG1 no hydrogen 2.617 N/A ARG 75.A N ALA 71.A O no hydrogen 2.988 N/A ARG 75.A NE GLN 72.A OE1 no hydrogen 3.261 N/A VAL 76.A N GLN 72.A O no hydrogen 3.237 N/A ASP 77.A N VAL 73.A O no hydrogen 3.227 N/A LEU 78.A N TYR 74.A O no hydrogen 3.029 N/A THR 80.A N VAL 76.A O no hydrogen 3.137 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.134 N/A LEU 81.A N ASP 77.A O no hydrogen 2.882 N/A ARG 82.A N LEU 78.A O no hydrogen 3.046 N/A ARG 82.A NE ASP 79.A OD2 no hydrogen 2.959 N/A ARG 82.A NH1 GLN 87.A O no hydrogen 3.125 N/A ARG 82.A NH2 ASP 79.A OD2 no hydrogen 3.482 N/A GLY 83.A N ASP 79.A O no hydrogen 3.099 N/A TYR 84.A N THR 80.A O no hydrogen 2.880 N/A TYR 85.A N LEU 81.A O no hydrogen 3.004 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.384 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.598 N/A ASN 86.A N GLY 83.A O no hydrogen 3.373 N/A GLN 87.A N ARG 82.A O no hydrogen 2.909 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.490 N/A ALA 90.A N SER 88.A OG no hydrogen 3.381 N/A SER 92.A OG SER 13.A O no hydrogen 2.839 N/A HIS 93.A N SER 13.A OG no hydrogen 3.164 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.069 N/A ILE 95.A N SER 11.A O no hydrogen 2.723 N/A GLN 96.A N ALA 117.A O no hydrogen 2.599 N/A THR 97.A N TYR 9.A O no hydrogen 3.159 N/A THR 97.A OG1 TYR 74.A OH no hydrogen 2.617 N/A THR 97.A OG1 ASP 116.A OD2 no hydrogen 3.045 N/A MET 98.A N GLN 115.A O no hydrogen 2.982 N/A TYR 99.A N TYR 7.A O no hydrogen 3.311 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.641 N/A GLY 100.A N TYR 113.A O no hydrogen 2.991 N/A CYS 101.A N LEU 5.A O no hydrogen 2.841 N/A ASP 102.A N ARG 111.A O no hydrogen 3.020 N/A LEU 103.A N HIS 3.A O no hydrogen 2.960 N/A GLY 104.A N ARG 108.A O no hydrogen 2.655 N/A ARG 108.A N GLY 104.A O no hydrogen 3.403 N/A LEU 110.A N ASP 102.A O no hydrogen 2.908 N/A ARG 111.A NH2 ASP 102.A OD2 no hydrogen 2.998 N/A TYR 113.A N GLY 100.A O no hydrogen 3.145 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 2.647 N/A ARG 114.A NH2 TYR 74.A OH no hydrogen 3.551 N/A GLN 115.A N MET 98.A O no hydrogen 2.831 N/A ASP 116.A N ILE 124.A O no hydrogen 2.665 N/A ALA 117.A N GLN 96.A O no hydrogen 2.651 N/A TYR 118.A N ALA 121.A O no hydrogen 3.133 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.669 N/A ASP 119.A N THR 94.A O no hydrogen 2.837 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.272 N/A ALA 125.A N THR 134.A O no hydrogen 3.103 N/A LEU 126.A N ARG 114.A O no hydrogen 2.922 N/A ASN 127.A N SER 132.A O no hydrogen 3.204 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.458 N/A LEU 130.A N ASN 127.A O no hydrogen 3.111 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 3.077 N/A SER 132.A N ASP 129.A OD1 no hydrogen 2.997 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.017 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.180 N/A THR 134.A N ALA 125.A O no hydrogen 2.830 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.326 N/A ALA 136.A N TYR 123.A O no hydrogen 3.206 N/A ALA 139.A N ASP 137.A OD1 no hydrogen 2.866 N/A GLN 141.A N ASP 137.A O no hydrogen 3.184 N/A GLN 141.A N THR 138.A O no hydrogen 2.906 N/A ILE 142.A N THR 138.A O no hydrogen 3.248 N/A THR 143.A N ALA 139.A O no hydrogen 3.295 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.272 N/A ARG 144.A N ALA 140.A O no hydrogen 2.873 N/A ARG 144.A NH1 GLU 148.A OE1 no hydrogen 2.494 N/A ARG 145.A N GLN 141.A O no hydrogen 3.084 N/A LYS 146.A N ILE 142.A O no hydrogen 3.475 N/A TRP 147.A N ARG 144.A O no hydrogen 2.849 N/A GLU 148.A N ARG 144.A O no hydrogen 2.966 N/A GLU 148.A N ARG 145.A O no hydrogen 2.990 N/A ALA 149.A N ARG 145.A O no hydrogen 3.026 N/A VAL 152.A N TRP 147.A O no hydrogen 3.067 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 3.004 N/A LEU 155.A N GLY 151.A O no hydrogen 2.827 N/A GLN 156.A N VAL 152.A O no hydrogen 3.018 N/A TRP 157.A N VAL 152.A O no hydrogen 2.979 N/A ARG 158.A N ALA 153.A O no hydrogen 2.585 N/A ARG 158.A NH1 ASP 129.A O no hydrogen 3.430 N/A TYR 160.A N GLN 156.A O no hydrogen 3.256 N/A LEU 161.A N TRP 157.A O no hydrogen 3.056 N/A GLU 162.A N ARG 158.A O no hydrogen 2.898 N/A THR 163.A N TYR 160.A O no hydrogen 3.360 N/A THR 163.A OG1 ASN 159.A O no hydrogen 2.870 N/A CYS 165.A N TYR 160.A O no hydrogen 2.894 N/A GLU 167.A N THR 163.A O no hydrogen 2.827 N/A TRP 168.A N THR 164.A O no hydrogen 2.853 N/A LEU 169.A N CYS 165.A O no hydrogen 2.983 N/A GLN 170.A N VAL 166.A O no hydrogen 3.166 N/A ARG 171.A N GLU 167.A O no hydrogen 2.924 N/A ARG 171.A NH1 GLU 167.A OE1 no hydrogen 2.263 N/A TYR 172.A N TRP 168.A O no hydrogen 2.866 N/A TYR 172.A OH TYR 59.A OH no hydrogen 2.552 N/A LEU 173.A N LEU 169.A O no hydrogen 2.891 N/A GLU 174.A N GLN 170.A O no hydrogen 3.213 N/A MET 175.A N ARG 171.A O no hydrogen 3.010 N/A GLY 176.A N LEU 173.A O no hydrogen 2.998 N/A LYS 177.A NZ GLU 174.A OE1 no hydrogen 3.379 N/A THR 179.A N GLY 176.A O no hydrogen 3.202 N/A LEU 180.A N GLY 176.A O no hydrogen 2.948 N/A LEU 181.A N LYS 177.A O no hydrogen 3.164 N/A THR 188.A OG1 TRP 205.A O no hydrogen 2.986 N/A ARG 189.A N TRP 205.A O no hydrogen 3.300 N/A THR 191.A N ARG 203.A O no hydrogen 2.908 N/A THR 191.A OG1 HIS 193.A NE2 no hydrogen 2.984 N/A ARG 192.A NE GLU 255.A OE2 no hydrogen 2.753 N/A HIS 193.A N THR 201.A O no hydrogen 2.950 N/A ILE 195.A N GLU 199.A O no hydrogen 3.239 N/A SER 196.A N GLU 199.A O no hydrogen 3.390 N/A SER 196.A OG GLU 199.A OE1 no hydrogen 3.226 N/A VAL 200.A N VAL 250.A O no hydrogen 3.019 N/A THR 201.A N HIS 193.A O no hydrogen 2.941 N/A LEU 202.A N VAL 248.A O no hydrogen 2.866 N/A ARG 203.A N THR 191.A O no hydrogen 2.860 N/A CYS 204.A N ALA 246.A O no hydrogen 2.965 N/A TRP 205.A N ARG 189.A O no hydrogen 2.319 N/A TRP 205.A NE1 THR 191.A OG1 no hydrogen 3.234 N/A LEU 207.A N SER 187.A O no hydrogen 2.953 N/A PHE 209.A N PHE 242.A O no hydrogen 3.133 N/A TYR 210.A N GLU 184.A O no hydrogen 3.076 N/A TYR 210.A OH THR 31.A OG1 no hydrogen 2.358 N/A ALA 212.A N ASP 30.A OD2 no hydrogen 2.815 N/A THR 215.A N GLN 263.A O no hydrogen 3.315 N/A THR 215.A OG1 GLN 263.A O no hydrogen 3.485 N/A THR 217.A N HIS 261.A O no hydrogen 3.268 N/A THR 217.A OG1 ASP 224.A OD1 no hydrogen 2.859 N/A THR 217.A OG1 ASP 224.A OD2 no hydrogen 2.903 N/A TRP 218.A NE1 ALA 246.A O no hydrogen 3.087 N/A GLN 219.A N THR 259.A O no hydrogen 2.784 N/A ARG 220.A N GLU 223.A O no hydrogen 2.577 N/A ASP 221.A N ARG 257.A O no hydrogen 3.003 N/A GLU 223.A N ARG 220.A O no hydrogen 3.153 N/A GLN 225.A N TRP 218.A O no hydrogen 2.696 N/A THR 226.A OG1 ASP 224.A OD2 no hydrogen 3.258 N/A ASP 228.A N GLN 225.A O no hydrogen 2.415 N/A GLU 230.A N ALA 247.A O no hydrogen 2.870 N/A VAL 232.A N TRP 245.A O no hydrogen 3.344 N/A ARG 235.A N GLN 243.A O no hydrogen 3.103 N/A ARG 235.A NE GLN 243.A OE1 no hydrogen 2.583 N/A ARG 235.A NH2 GLN 243.A OE1 no hydrogen 3.085 N/A ALA 237.A N THR 241.A O no hydrogen 3.042 N/A THR 241.A N ASP 239.A OD1 no hydrogen 3.291 N/A THR 241.A OG1 ASP 239.A OD1 no hydrogen 2.449 N/A PHE 242.A N PHE 209.A O no hydrogen 2.912 N/A GLN 243.A N ARG 235.A O no hydrogen 3.022 N/A LYS 244.A N ALA 206.A O no hydrogen 3.009 N/A LYS 244.A NZ VAL 232.A O no hydrogen 3.156 N/A LYS 244.A NZ THR 234.A OG1 no hydrogen 2.663 N/A ALA 246.A N CYS 204.A O no hydrogen 3.179 N/A ALA 247.A N GLU 230.A O no hydrogen 2.825 N/A VAL 248.A N LEU 202.A O no hydrogen 2.902 N/A VAL 250.A N VAL 200.A O no hydrogen 3.039 N/A SER 252.A N HIS 198.A O no hydrogen 2.594 N/A SER 252.A OG ASP 197.A O no hydrogen 3.042 N/A SER 252.A OG HIS 198.A O no hydrogen 2.585 N/A ARG 257.A NH2 ASP 221.A OD2 no hydrogen 2.683 N/A TYR 258.A N GLU 255.A O no hydrogen 3.310 N/A THR 259.A N GLN 219.A O no hydrogen 3.293 N/A THR 259.A OG1 HIS 261.A NE2 no hydrogen 3.068 N/A HIS 261.A N THR 217.A O no hydrogen 3.076 N/A GLN 263.A N THR 215.A O no hydrogen 3.249 N/A HIS 264.A NE2 PRO 211.A O no hydrogen 3.174 N/A GLY 266.A N HIS 264.A ND1 no hydrogen 2.907 N/A LEU 267.A N HIS 264.A O no hydrogen 3.240 N/A