Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fg8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ASP 6.A OD2 no hydrogen 2.917 N/A ARG 3.A NH2 ASP 72.A OD1 no hydrogen 2.948 N/A PHE 4.A N GLU 76.A OE2 no hydrogen 3.233 N/A SER 5.A N GLU 76.A OE2 no hydrogen 2.803 N/A SER 5.A OG GLU 76.A OE1 no hydrogen 2.720 N/A SER 5.A OG GLU 76.A OE2 no hydrogen 3.029 N/A ASP 6.A N THR 2.A O no hydrogen 3.342 N/A ASN 7.A N PHE 4.A O no hydrogen 3.016 N/A TYR 8.A N PHE 4.A O no hydrogen 2.863 N/A ASP 9.A N VAL 26.A O no hydrogen 3.058 N/A LYS 11.A N ARG 24.A O no hydrogen 2.634 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.965 N/A LEU 14.A N VAL 22.A O no hydrogen 2.819 N/A GLY 15.A N VAL 22.A O no hydrogen 3.388 N/A GLY 17.A N SER 20.A O no hydrogen 2.979 N/A ILE 21.A N ILE 38.A O no hydrogen 3.178 N/A VAL 22.A N GLY 15.A O no hydrogen 2.958 N/A LYS 23.A N ALA 36.A O no hydrogen 2.882 N/A ARG 24.A N GLU 12.A O no hydrogen 2.749 N/A ARG 24.A NE GLU 12.A OE1 no hydrogen 3.221 N/A ARG 24.A NE GLU 12.A OE2 no hydrogen 3.177 N/A ARG 24.A NH1 GLU 33.A OE1 no hydrogen 3.162 N/A ARG 24.A NH2 GLU 12.A OE1 no hydrogen 3.225 N/A CYS 25.A N PHE 34.A O no hydrogen 2.748 N/A CYS 25.A SG PHE 34.A O no hydrogen 3.596 N/A VAL 26.A N ASP 9.A O no hydrogen 2.890 N/A GLN 27.A N PHE 32.A O no hydrogen 2.842 N/A LYS 28.A N ASN 7.A O no hydrogen 2.916 N/A THR 30.A OG1 GLN 27.A O no hydrogen 3.500 N/A THR 30.A OG1 GLN 27.A OE1 no hydrogen 2.710 N/A GLY 31.A N GLN 27.A O no hydrogen 2.823 N/A PHE 32.A N THR 30.A OG1 no hydrogen 3.017 N/A PHE 34.A N CYS 25.A O no hydrogen 2.779 N/A ALA 35.A N PHE 84.A O no hydrogen 2.910 N/A ALA 36.A N LYS 23.A O no hydrogen 2.711 N/A LYS 37.A N LEU 82.A O no hydrogen 2.780 N/A LYS 37.A NZ GLU 55.A OE2 no hydrogen 2.798 N/A ILE 38.A N ILE 21.A O no hydrogen 2.794 N/A ILE 39.A N HIS 80.A O no hydrogen 2.987 N/A THR 41.A N ASN 78.A O no hydrogen 2.992 N/A LYS 42.A N ASN 40.A OD1 no hydrogen 3.316 N/A LEU 44.A N THR 41.A O no hydrogen 3.165 N/A THR 45.A N ASP 48.A OD2 no hydrogen 2.917 N/A THR 45.A OG1 ASP 48.A OD2 no hydrogen 2.226 N/A PHE 49.A N THR 45.A O no hydrogen 3.064 N/A GLN 50.A N ALA 46.A O no hydrogen 3.030 N/A LYS 51.A N ARG 47.A O no hydrogen 2.920 N/A LEU 52.A N ASP 48.A O no hydrogen 2.982 N/A GLU 53.A N PHE 49.A O no hydrogen 3.029 N/A ARG 54.A N GLN 50.A O no hydrogen 2.869 N/A ARG 54.A NH2 GLY 153.A O no hydrogen 3.023 N/A GLU 55.A N LYS 51.A O no hydrogen 2.820 N/A ALA 56.A N LEU 52.A O no hydrogen 3.044 N/A ARG 57.A N GLU 53.A O no hydrogen 2.881 N/A ARG 57.A NH1.A GLU 157.A OE1 no hydrogen 2.429 N/A ARG 57.A NH2.A GLU 157.A OE1 no hydrogen 2.571 N/A ARG 57.A NH2.B GLU 157.A OE1 no hydrogen 2.745 N/A ILE 58.A N ARG 54.A O no hydrogen 2.870 N/A CYS 59.A N GLU 55.A O no hydrogen 3.012 N/A CYS 59.A SG.A GLU 55.A O no hydrogen 3.374 N/A CYS 59.A SG.B VAL 68.A O no hydrogen 3.364 N/A ARG 60.A N ALA 56.A O no hydrogen 3.182 N/A LYS 61.A N ARG 57.A O no hydrogen 3.248 N/A LYS 61.A NZ ASN 124.A O no hydrogen 3.242 N/A LYS 61.A NZ GLU 157.A OE2 no hydrogen 2.929 N/A LEU 62.A N CYS 59.A O no hydrogen 3.181 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 3.058 N/A ASN 66.A ND2 GLN 113.A OE1 no hydrogen 3.285 N/A ASN 66.A ND2 VAL 147.A O no hydrogen 2.331 N/A ILE 67.A N HIS 64.A O no hydrogen 3.333 N/A VAL 68.A N LEU 149.A O no hydrogen 3.040 N/A HIS 71.A N VAL 83.A O no hydrogen 2.559 N/A HIS 71.A NE2.B ASP 85.A OD1 no hydrogen 3.089 N/A ASP 72.A N VAL 83.A O no hydrogen 3.098 N/A SER 73.A N ASP 72.A OD1 no hydrogen 2.646 N/A SER 73.A OG HIS 80.A NE2 no hydrogen 2.820 N/A ILE 74.A N TYR 81.A O no hydrogen 2.754 N/A GLN 75.A NE2 GLU 76.A O no hydrogen 2.523 N/A GLU 76.A N TYR 79.A O no hydrogen 2.746 N/A HIS 80.A N ILE 39.A O no hydrogen 2.918 N/A HIS 80.A ND1 GLN 75.A OE1 no hydrogen 2.872 N/A HIS 80.A NE2 SER 73.A OG no hydrogen 2.820 N/A TYR 81.A N ILE 74.A O no hydrogen 2.709 N/A TYR 81.A OH GLU 76.A OE1 no hydrogen 3.401 N/A LEU 82.A N LYS 37.A O no hydrogen 3.023 N/A VAL 83.A N ASP 72.A O no hydrogen 2.781 N/A PHE 84.A N ALA 35.A O no hydrogen 2.794 N/A ASP 85.A N ARG 69.A O no hydrogen 2.946 N/A THR 88.A OG1 ALA 139.A O no hydrogen 3.312 N/A GLY 89.A N LEU 138.A O no hydrogen 2.881 N/A LEU 92.A N LEU 136.A O no hydrogen 2.840 N/A PHE 93.A N PRO 133.A O no hydrogen 3.089 N/A ASP 95.A N GLU 91.A O no hydrogen 3.326 N/A ILE 96.A N LEU 92.A O no hydrogen 2.986 N/A VAL 97.A N PHE 93.A O no hydrogen 3.034 N/A ALA 98.A N GLU 94.A O no hydrogen 2.837 N/A ARG 99.A N ASP 95.A O no hydrogen 2.965 N/A ARG 99.A N ILE 96.A O no hydrogen 3.288 N/A ARG 99.A NH1 ASP 95.A OD2 no hydrogen 2.874 N/A TYR 102.A N LEU 201.A O no hydrogen 2.705 N/A TYR 102.A OH ASP 95.A OD2 no hydrogen 2.314 N/A ASP 106.A N SER 103.A OG no hydrogen 2.979 N/A ALA 107.A N SER 103.A O no hydrogen 2.803 N/A SER 108.A N GLU 104.A O no hydrogen 2.926 N/A SER 108.A OG TRP 265.A O no hydrogen 3.247 N/A HIS 109.A N ALA 105.A O no hydrogen 2.974 N/A HIS 109.A NE2 GLY 144.A O no hydrogen 3.172 N/A CYS 110.A N ASP 106.A O no hydrogen 2.891 N/A ILE 111.A N ALA 107.A O no hydrogen 2.875 N/A GLN 112.A N SER 108.A O no hydrogen 2.948 N/A GLN 113.A N HIS 109.A O no hydrogen 3.161 N/A GLN 113.A NE2 ALA 145.A O no hydrogen 3.258 N/A ILE 114.A N CYS 110.A O no hydrogen 3.076 N/A LEU 115.A N ILE 111.A O no hydrogen 2.838 N/A GLU 116.A N GLN 112.A O no hydrogen 3.031 N/A SER 117.A N GLN 113.A O no hydrogen 3.046 N/A SER 117.A OG ILE 114.A O no hydrogen 2.591 N/A VAL 118.A N ILE 114.A O no hydrogen 2.859 N/A ASN 119.A N LEU 115.A O no hydrogen 2.733 N/A HIS 120.A N GLU 116.A O no hydrogen 3.014 N/A CYS 121.A N SER 117.A O no hydrogen 3.125 N/A CYS 121.A SG SER 117.A O no hydrogen 3.508 N/A HIS 122.A N VAL 118.A O no hydrogen 2.909 N/A HIS 122.A NE2 ASP 190.A OD2 no hydrogen 2.687 N/A GLN 123.A N ASN 119.A O no hydrogen 2.929 N/A ASN 124.A N HIS 120.A O no hydrogen 3.268 N/A ASN 124.A N CYS 121.A O no hydrogen 3.109 N/A ASN 124.A ND2 HIS 120.A O no hydrogen 2.777 N/A GLY 125.A N HIS 122.A O no hydrogen 2.980 N/A VAL 126.A N CYS 121.A O no hydrogen 2.813 N/A VAL 127.A N ILE 156.A O no hydrogen 2.936 N/A HIS 128.A N ASP 190.A OD2 no hydrogen 3.041 N/A HIS 128.A NE2 ALA 150.A O no hydrogen 2.788 N/A ARG 129.A N ASP 190.A OD1 no hydrogen 2.953 N/A ARG 129.A NE LEU 154.A O no hydrogen 2.787 N/A ARG 129.A NH1 TYR 185.A OH no hydrogen 2.883 N/A ARG 129.A NH2 LEU 154.A O no hydrogen 2.921 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.121 N/A LYS 132.A NZ THR 171.A OG1 no hydrogen 2.647 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.590 N/A ASN 135.A N LYS 132.A O no hydrogen 2.886 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.981 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 3.083 N/A LEU 136.A N PRO 133.A O no hydrogen 3.469 N/A LEU 137.A N LYS 148.A O no hydrogen 2.826 N/A LEU 138.A N GLY 90.A O no hydrogen 2.934 N/A ALA 139.A N ALA 146.A O no hydrogen 2.594 N/A ALA 145.A N ALA 142.A O no hydrogen 3.078 N/A VAL 147.A N GLN 113.A OE1 no hydrogen 3.036 N/A LYS 148.A N LEU 137.A O no hydrogen 2.564 N/A LYS 148.A NZ PRO 65.A O no hydrogen 2.857 N/A LEU 149.A N ASN 66.A O no hydrogen 2.564 N/A ALA 150.A N ASN 135.A O no hydrogen 2.853 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 3.262 N/A ALA 155.A N PHE 152.A O no hydrogen 3.154 N/A ILE 156.A N VAL 127.A O no hydrogen 3.026 N/A VAL 158.A N GLY 125.A O no hydrogen 3.058 N/A HIS 162.A N GLN 159.A O no hydrogen 3.068 N/A ALA 164.A N TYR 185.A O no hydrogen 3.002 N/A THR 171.A OG1 ASP 130.A OD1 no hydrogen 2.709 N/A TYR 174.A N THR 171.A O no hydrogen 2.824 N/A LEU 175.A N PRO 172.A O no hydrogen 3.167 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.677 N/A VAL 179.A N SER 176.A OG no hydrogen 3.393 N/A LEU 180.A N SER 176.A O no hydrogen 3.166 N/A LYS 181.A N PRO 177.A O no hydrogen 2.813 N/A LYS 182.A N VAL 179.A O no hydrogen 2.998 N/A GLU 183.A N GLU 178.A O no hydrogen 2.843 N/A TYR 185.A N ALA 164.A O no hydrogen 2.813 N/A TYR 185.A OH GLY 167.A O no hydrogen 2.818 N/A LYS 187.A NZ HIS 122.A O no hydrogen 2.683 N/A LYS 187.A NZ GLY 160.A O no hydrogen 2.871 N/A VAL 189.A N GLY 186.A O no hydrogen 3.306 N/A ASP 190.A N LYS 187.A O no hydrogen 2.961 N/A ILE 191.A N SER 188.A O no hydrogen 3.105 N/A TRP 192.A N SER 188.A O no hydrogen 3.378 N/A ALA 193.A N VAL 189.A O no hydrogen 3.224 N/A CYS 194.A N ASP 190.A O no hydrogen 3.010 N/A CYS 194.A SG ASP 190.A O no hydrogen 3.309 N/A GLY 195.A N ILE 191.A O no hydrogen 2.916 N/A VAL 196.A N TRP 192.A O no hydrogen 2.982 N/A ILE 197.A N ALA 193.A O no hydrogen 2.855 N/A LEU 198.A N CYS 194.A O no hydrogen 2.790 N/A TYR 199.A N GLY 195.A O no hydrogen 3.065 N/A TYR 199.A OH ASP 226.A O no hydrogen 2.668 N/A ILE 200.A N VAL 196.A O no hydrogen 2.941 N/A LEU 201.A N ILE 197.A O no hydrogen 2.778 N/A LEU 202.A N LEU 198.A O no hydrogen 3.178 N/A LEU 202.A N TYR 199.A O no hydrogen 3.222 N/A VAL 203.A N TYR 199.A O no hydrogen 3.212 N/A GLY 204.A N ILE 200.A O no hydrogen 2.752 N/A TYR 205.A OH GLU 231.A OE1 no hydrogen 2.573 N/A TRP 209.A N GLN 219.A OE1 no hydrogen 3.026 N/A ASP 212.A N ASP 210.A OD1 no hydrogen 2.591 N/A HIS 214.A N ASP 212.A OD1 no hydrogen 3.179 N/A LEU 216.A N ASP 212.A O no hydrogen 3.048 N/A TYR 217.A N GLN 213.A O no hydrogen 3.058 N/A SER 218.A N HIS 214.A O no hydrogen 3.090 N/A GLN 219.A N ARG 215.A O no hydrogen 2.875 N/A GLN 219.A NE2 PRO 207.A O no hydrogen 3.098 N/A GLN 219.A NE2 ALA 224.A O no hydrogen 2.666 N/A ILE 220.A N LEU 216.A O no hydrogen 2.943 N/A LYS 221.A N TYR 217.A O no hydrogen 2.849 N/A ALA 222.A N SER 218.A O no hydrogen 3.094 N/A GLY 223.A N ILE 220.A O no hydrogen 2.843 N/A ALA 224.A N GLN 219.A O no hydrogen 2.909 N/A TYR 225.A OH ASN 244.A OD1 no hydrogen 2.682 N/A TYR 227.A OH LYS 240.A O no hydrogen 3.131 N/A TYR 227.A OH ASN 244.A OD1 no hydrogen 2.543 N/A SER 229.A OG ASP 233.A OD1 no hydrogen 2.580 N/A SER 229.A OG ASP 233.A OD2 no hydrogen 3.341 N/A TRP 232.A N PRO 228.A O no hydrogen 3.291 N/A ASP 233.A N PRO 230.A O no hydrogen 3.051 N/A VAL 235.A N TRP 232.A O no hydrogen 3.189 N/A THR 236.A N GLU 104.A OE1 no hydrogen 2.713 N/A THR 236.A OG1 GLU 238.A OE1 no hydrogen 2.178 N/A GLU 238.A N THR 236.A OG1 no hydrogen 3.401 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.878 N/A ALA 239.A N THR 236.A O no hydrogen 3.175 N/A LYS 240.A N THR 236.A O no hydrogen 3.340 N/A LYS 240.A NZ TRP 232.A O no hydrogen 3.157 N/A ASN 241.A N PRO 237.A O no hydrogen 2.863 N/A LEU 242.A N GLU 238.A O no hydrogen 3.429 N/A ILE 243.A N ALA 239.A O no hydrogen 3.097 N/A ASN 244.A N LYS 240.A O no hydrogen 2.944 N/A GLN 245.A N ASN 241.A O no hydrogen 3.009 N/A MET 246.A N LEU 242.A O no hydrogen 3.012 N/A LEU 247.A N ILE 243.A O no hydrogen 2.664 N/A THR 248.A OG1 ASN 244.A O no hydrogen 2.966 N/A THR 248.A OG1 GLN 245.A O no hydrogen 2.756 N/A ASN 252.A ND2 ASN 250.A OD1 no hydrogen 3.562 N/A ARG 254.A N PRO 251.A O no hydrogen 3.251 N/A ARG 254.A NE THR 248.A O no hydrogen 2.954 N/A ARG 254.A NH1 GLU 178.A OE1 no hydrogen 3.549 N/A ARG 254.A NH1 GLU 178.A OE2 no hydrogen 2.689 N/A ARG 254.A NH1 SER 188.A O no hydrogen 2.984 N/A ARG 254.A NH2 GLU 178.A OE1 no hydrogen 3.040 N/A ARG 254.A NH2 THR 248.A O no hydrogen 2.828 N/A ILE 255.A N GLN 245.A O no hydrogen 3.414 N/A THR 256.A N GLU 259.A OE2 no hydrogen 3.228 N/A GLU 259.A N THR 256.A OG1 no hydrogen 3.399 N/A ALA 260.A N ALA 257.A O no hydrogen 3.130 N/A LEU 261.A N ALA 257.A O no hydrogen 3.011 N/A HIS 263.A N ALA 260.A O no hydrogen 3.228 N/A HIS 263.A NE2 GLU 238.A O no hydrogen 2.900 N/A TRP 265.A NE1 GLU 104.A OE2 no hydrogen 2.784 N/A ILE 266.A N HIS 263.A O no hydrogen 2.906 N/A CYS 267.A N HIS 263.A O no hydrogen 2.938 N/A CYS 267.A SG LEU 261.A O no hydrogen 3.089 N/A CYS 267.A SG LYS 262.A O no hydrogen 3.534 N/A GLN 268.A N PRO 264.A O no hydrogen 2.492 N/A ARG 269.A N CYS 267.A O no hydrogen 2.494 N/A ARG 269.A NE TRP 265.A O no hydrogen 2.765 N/A ARG 269.A NH2 TRP 265.A O no hydrogen 3.380 N/A