Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ai1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 TYR 8.A OH no hydrogen 3.481 N/A TYR 3.A N ASN 1.A OD1 no hydrogen 3.002 N/A TYR 3.A OH ASN 53.A O no hydrogen 2.752 N/A THR 4.A N ASP 7.A OD1 no hydrogen 3.040 N/A ASP 7.A N THR 4.A O no hydrogen 3.146 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.256 N/A TYR 8.A N THR 4.A O no hydrogen 3.505 N/A GLN 9.A N TYR 5.A O no hydrogen 3.114 N/A ASP 10.A N GLU 6.A O no hydrogen 2.802 N/A THR 11.A N ASP 7.A O no hydrogen 3.115 N/A THR 11.A OG1 ASP 7.A O no hydrogen 3.261 N/A THR 11.A OG1 PRO 52.A O no hydrogen 2.841 N/A THR 11.A OG1 ASN 53.A OD1 no hydrogen 3.023 N/A ALA 12.A N TYR 8.A O no hydrogen 3.090 N/A LYS 13.A N GLN 9.A O no hydrogen 2.842 N/A TRP 14.A N ASP 10.A O no hydrogen 3.000 N/A LEU 15.A N THR 11.A O no hydrogen 3.189 N/A LEU 16.A N ALA 12.A O no hydrogen 2.952 N/A SER 17.A N LYS 13.A O no hydrogen 3.154 N/A SER 17.A OG LYS 13.A O no hydrogen 3.512 N/A SER 17.A OG TRP 14.A O no hydrogen 3.040 N/A SER 17.A OG HIS 18.A ND1 no hydrogen 3.081 N/A HIS 18.A N LEU 15.A O no hydrogen 3.116 N/A HIS 18.A ND1 TRP 14.A O no hydrogen 2.472 N/A THR 19.A OG1 GLN 44.A OE1 no hydrogen 2.778 N/A GLN 21.A N THR 19.A OG1 no hydrogen 3.300 N/A GLN 21.A NE2 GLU 20.A OE2 no hydrogen 3.018 N/A ARG 22.A NH1 LEU 16.A O no hydrogen 3.382 N/A ARG 22.A NH1 THR 19.A O no hydrogen 2.652 N/A ARG 22.A NH1 GLN 21.A O no hydrogen 2.993 N/A ARG 22.A NH2 LEU 16.A O no hydrogen 3.076 N/A GLN 24.A N ALA 69.A O no hydrogen 2.968 N/A VAL 25.A N ALA 69.A O no hydrogen 3.236 N/A ALA 26.A N THR 102.A O no hydrogen 3.000 N/A VAL 27.A N VAL 71.A O no hydrogen 2.969 N/A ILE 28.A N VAL 104.A O no hydrogen 2.924 N/A CYS 29.A N MET 73.A O no hydrogen 2.991 N/A CYS 29.A SG LEU 33.A O no hydrogen 3.973 N/A GLY 30.A N THR 106.A OG1 no hydrogen 2.987 N/A LEU 33.A N GLY 30.A O no hydrogen 3.177 N/A LEU 36.A N LEU 33.A O no hydrogen 3.350 N/A VAL 37.A N GLY 34.A O no hydrogen 3.491 N/A ASN 38.A N GLY 35.A O no hydrogen 3.033 N/A ASN 38.A ND2 GLY 35.A O no hydrogen 2.821 N/A LYS 39.A N LEU 36.A O no hydrogen 3.327 N/A LEU 40.A N VAL 37.A O no hydrogen 3.347 N/A THR 41.A N ILE 64.A O no hydrogen 3.008 N/A THR 41.A OG1 ILE 64.A O no hydrogen 3.258 N/A GLN 44.A N PHE 62.A O no hydrogen 3.066 N/A GLN 44.A NE2 HIS 18.A O no hydrogen 3.055 N/A PHE 46.A N LEU 60.A O no hydrogen 2.873 N/A ASP 47.A N GLU 50.A OE2 no hydrogen 2.930 N/A TYR 48.A N GLY 58.A O no hydrogen 2.867 N/A TYR 48.A OH ARG 59.A O no hydrogen 3.293 N/A TYR 48.A OH GLY 75.A O no hydrogen 2.587 N/A GLU 50.A N ASP 47.A O no hydrogen 2.993 N/A ILE 51.A N TYR 48.A O no hydrogen 3.070 N/A PHE 54.A N ILE 51.A O no hydrogen 3.154 N/A ARG 59.A N GLN 74.A O no hydrogen 3.302 N/A ARG 59.A NE ASP 47.A OD2 no hydrogen 3.376 N/A LEU 60.A N PHE 46.A O no hydrogen 2.857 N/A VAL 61.A N MET 72.A O no hydrogen 2.912 N/A PHE 62.A N GLN 44.A O no hydrogen 2.853 N/A GLY 63.A N CYS 70.A O no hydrogen 2.983 N/A ILE 64.A N THR 41.A O no hydrogen 3.006 N/A LEU 65.A N ARG 68.A O no hydrogen 2.769 N/A ASN 66.A ND2 SER 268.A O no hydrogen 2.895 N/A ARG 68.A N LEU 65.A O no hydrogen 2.953 N/A CYS 70.A N GLY 63.A O no hydrogen 2.772 N/A CYS 70.A SG ARG 68.A O no hydrogen 3.610 N/A VAL 71.A N VAL 25.A O no hydrogen 2.972 N/A MET 72.A N VAL 61.A O no hydrogen 2.727 N/A MET 73.A N VAL 27.A O no hydrogen 2.779 N/A GLN 74.A N ARG 59.A O no hydrogen 2.809 N/A GLN 74.A NE2 GLY 34.A O no hydrogen 2.960 N/A ARG 76.A NE GLU 216.A OE2 no hydrogen 2.956 N/A ARG 76.A NH1 THR 106.A O no hydrogen 3.075 N/A ARG 76.A NH2 THR 106.A O no hydrogen 3.304 N/A ARG 76.A NH2 GLU 216.A OE1 no hydrogen 2.946 N/A HIS 78.A N GLU 81.A OE2 no hydrogen 3.218 N/A HIS 78.A ND1 GLU 81.A OE1 no hydrogen 2.950 N/A GLU 81.A N HIS 78.A O no hydrogen 3.096 N/A GLY 82.A N MET 79.A O no hydrogen 2.859 N/A TYR 83.A OH GLU 56.A O no hydrogen 2.459 N/A LYS 87.A N PRO 84.A O no hydrogen 3.016 N/A VAL 88.A N PRO 84.A O no hydrogen 3.221 N/A THR 89.A N PHE 85.A O no hydrogen 3.056 N/A THR 89.A OG1 PHE 85.A O no hydrogen 2.859 N/A PHE 90.A N LYS 87.A O no hydrogen 3.221 N/A VAL 92.A N THR 89.A O no hydrogen 3.146 N/A ARG 93.A NH1 TYR 8.A OH no hydrogen 3.193 N/A VAL 94.A N PHE 90.A O no hydrogen 3.337 N/A PHE 95.A N PRO 91.A O no hydrogen 2.854 N/A ARG 96.A N VAL 92.A O no hydrogen 3.222 N/A LEU 97.A N ARG 93.A O no hydrogen 3.207 N/A LEU 98.A N PHE 95.A O no hydrogen 2.972 N/A GLY 99.A N ARG 96.A O no hydrogen 3.101 N/A VAL 100.A N PHE 95.A O no hydrogen 3.124 N/A GLU 101.A N GLN 24.A O no hydrogen 2.958 N/A THR 102.A N GLN 24.A O no hydrogen 3.350 N/A LEU 103.A N ARG 226.A O no hydrogen 2.770 N/A VAL 104.A N ALA 26.A O no hydrogen 2.822 N/A VAL 105.A N PHE 228.A O no hydrogen 2.960 N/A THR 106.A N ILE 28.A O no hydrogen 3.193 N/A THR 106.A OG1 ILE 28.A O no hydrogen 3.047 N/A ASN 107.A N PHE 230.A O no hydrogen 3.239 N/A ASN 107.A ND2 THR 213.A OG1 no hydrogen 3.006 N/A ALA 109.A N LEU 232.A O no hydrogen 2.938 N/A GLY 110.A N VAL 209.A O no hydrogen 2.924 N/A GLY 111.A N ASN 235.A O no hydrogen 2.723 N/A LEU 112.A N ASP 207.A O no hydrogen 2.834 N/A ASN 113.A N ASP 207.A O no hydrogen 3.117 N/A ASN 113.A ND2 ASP 207.A OD2 no hydrogen 3.112 N/A ASN 115.A N ASN 113.A OD1 no hydrogen 2.862 N/A PHE 116.A N ASN 113.A O no hydrogen 3.008 N/A GLU 117.A N ASP 120.A OD1 no hydrogen 2.890 N/A GLY 119.A N ILE 233.A O no hydrogen 2.824 N/A ASP 120.A N GLU 117.A O no hydrogen 2.996 N/A MET 122.A N SER 231.A O no hydrogen 2.930 N/A LEU 123.A N GLN 180.A O no hydrogen 2.827 N/A ILE 124.A N GLY 229.A O no hydrogen 3.023 N/A ARG 125.A N GLY 182.A O no hydrogen 3.036 N/A HIS 127.A ND1 TYR 158.A OH no hydrogen 2.712 N/A ILE 128.A N TYR 184.A O no hydrogen 3.012 N/A GLY 132.A N ASN 129.A OD1 no hydrogen 3.191 N/A PHE 133.A N LEU 130.A O no hydrogen 3.014 N/A SER 134.A N PRO 131.A O no hydrogen 3.087 N/A SER 134.A OG PRO 131.A O no hydrogen 2.992 N/A GLY 135.A N GLY 132.A O no hydrogen 3.076 N/A GLU 136.A N PRO 131.A O no hydrogen 3.178 N/A LEU 139.A N ASN 137.A OD1 no hydrogen 2.795 N/A ARG 140.A N ASN 137.A O no hydrogen 2.971 N/A ASN 143.A ND2 GLY 148.A O no hydrogen 3.047 N/A ARG 146.A N GLU 144.A OE2 no hydrogen 3.139 N/A ARG 146.A NE GLU 144.A OE2 no hydrogen 2.780 N/A ARG 146.A NH2 GLU 144.A OE1 no hydrogen 3.052 N/A PHE 147.A N GLU 144.A O no hydrogen 2.897 N/A GLY 148.A N GLU 144.A O no hydrogen 3.275 N/A ARG 150.A NE ARG 150.A O no hydrogen 3.134 N/A ARG 150.A NH1 GLY 141.A O no hydrogen 2.936 N/A ARG 150.A NH2 LEU 139.A O no hydrogen 3.060 N/A ARG 150.A NH2 GLY 141.A O no hydrogen 3.050 N/A ALA 157.A N MET 154.A O no hydrogen 3.283 N/A TYR 158.A OH HIS 127.A ND1 no hydrogen 2.712 N/A ASP 159.A N VAL 227.A O no hydrogen 3.038 N/A MET 162.A N ASP 159.A OD1 no hydrogen 2.894 N/A ARG 163.A N ASP 159.A O no hydrogen 3.388 N/A GLN 164.A N ARG 160.A O no hydrogen 3.094 N/A LYS 165.A N ASP 161.A O no hydrogen 2.862 N/A ALA 166.A N MET 162.A O no hydrogen 2.690 N/A HIS 167.A N ARG 163.A O no hydrogen 3.017 N/A HIS 167.A NE2 GLU 181.A OE1 no hydrogen 2.810 N/A SER 168.A N GLN 164.A O no hydrogen 2.851 N/A SER 168.A OG GLN 164.A O no hydrogen 3.254 N/A THR 169.A N LYS 165.A O no hydrogen 2.693 N/A THR 169.A OG1 LYS 165.A O no hydrogen 3.208 N/A TRP 170.A N ALA 166.A O no hydrogen 3.014 N/A LYS 171.A N HIS 167.A O no hydrogen 3.148 N/A LYS 171.A N SER 168.A O no hydrogen 2.909 N/A GLN 172.A N SER 168.A O no hydrogen 3.189 N/A MET 173.A N THR 169.A O no hydrogen 3.157 N/A MET 173.A N TRP 170.A O no hydrogen 3.307 N/A GLY 174.A N LYS 171.A O no hydrogen 3.055 N/A ARG 177.A NH2 ASN 115.A O no hydrogen 3.309 N/A GLN 180.A N ILE 121.A O no hydrogen 2.918 N/A GLN 180.A NE2 GLU 178.A O no hydrogen 3.137 N/A GLY 182.A N LEU 123.A O no hydrogen 3.146 N/A THR 183.A N ASP 207.A OD1 no hydrogen 2.688 N/A TYR 184.A N ASP 126.A O no hydrogen 3.051 N/A TYR 184.A OH SER 212.A O no hydrogen 3.253 N/A VAL 185.A N ALA 208.A O no hydrogen 2.923 N/A MET 186.A N ILE 128.A O no hydrogen 3.144 N/A LEU 187.A N GLY 210.A O no hydrogen 3.104 N/A ASN 191.A ND2 PHE 192.A O no hydrogen 3.040 N/A THR 194.A N GLU 197.A OE2 no hydrogen 2.968 N/A GLU 197.A N THR 194.A OG1 no hydrogen 3.229 N/A CYS 198.A N THR 194.A O no hydrogen 2.993 N/A CYS 198.A SG THR 194.A O no hydrogen 3.389 N/A CYS 198.A SG ILE 238.A O no hydrogen 3.841 N/A ARG 199.A N VAL 195.A O no hydrogen 3.083 N/A ARG 199.A NE MET 239.A O no hydrogen 2.858 N/A ARG 199.A NH2 MET 239.A O no hydrogen 3.265 N/A LEU 200.A N ALA 196.A O no hydrogen 3.117 N/A LEU 201.A N GLU 197.A O no hydrogen 2.968 N/A ARG 202.A N CYS 198.A O no hydrogen 3.099 N/A ARG 202.A NH1 ALA 206.A O no hydrogen 3.018 N/A ARG 202.A NH1 ASP 207.A OD2 no hydrogen 2.907 N/A ASN 203.A N ARG 199.A O no hydrogen 2.995 N/A LEU 204.A N LEU 201.A O no hydrogen 2.966 N/A GLY 205.A N ARG 202.A O no hydrogen 2.916 N/A ALA 206.A N LEU 201.A O no hydrogen 3.382 N/A ASP 207.A N THR 183.A O no hydrogen 2.781 N/A ALA 208.A N THR 183.A O no hydrogen 3.145 N/A VAL 209.A N GLY 110.A O no hydrogen 2.909 N/A GLY 210.A N VAL 185.A O no hydrogen 3.059 N/A SER 212.A N TYR 184.A OH no hydrogen 3.193 N/A SER 212.A OG THR 213.A OG1 no hydrogen 3.114 N/A THR 213.A OG1 SER 212.A OG no hydrogen 3.114 N/A VAL 214.A N SER 212.A O no hydrogen 2.789 N/A VAL 217.A N THR 213.A O no hydrogen 3.026 N/A ILE 218.A N VAL 214.A O no hydrogen 3.050 N/A VAL 219.A N PRO 215.A O no hydrogen 3.133 N/A ALA 220.A N GLU 216.A O no hydrogen 2.858 N/A ARG 221.A N VAL 217.A O no hydrogen 2.824 N/A ARG 221.A NH1 LEU 225.A O no hydrogen 2.876 N/A HIS 222.A N ILE 218.A O no hydrogen 2.982 N/A HIS 222.A NE2 ASN 143.A OD1 no hydrogen 3.133 N/A CYS 223.A N VAL 219.A O no hydrogen 3.123 N/A CYS 223.A SG VAL 219.A O no hydrogen 3.456 N/A CYS 223.A SG ALA 220.A O no hydrogen 3.688 N/A GLY 224.A N ARG 221.A O no hydrogen 3.091 N/A LEU 225.A N ALA 220.A O no hydrogen 2.835 N/A ARG 226.A N GLU 101.A O no hydrogen 3.006 N/A ARG 226.A NH1 THR 102.A OG1 no hydrogen 2.759 N/A PHE 228.A N LEU 103.A O no hydrogen 3.022 N/A PHE 230.A N VAL 105.A O no hydrogen 3.085 N/A SER 231.A N MET 122.A O no hydrogen 2.942 N/A SER 231.A OG ASN 107.A OD1 no hydrogen 2.761 N/A LEU 232.A N ASN 107.A O no hydrogen 2.854 N/A ILE 233.A N ASP 120.A O no hydrogen 2.983 N/A THR 234.A N ALA 109.A O no hydrogen 2.927 N/A THR 234.A OG1 ALA 109.A O no hydrogen 3.182 N/A THR 234.A OG1 ASN 235.A OD1 no hydrogen 3.274 N/A LYS 236.A NZ PRO 114.A O no hydrogen 3.205 N/A LYS 236.A NZ PHE 116.A O no hydrogen 2.603 N/A LYS 236.A NZ GLU 117.A OE2 no hydrogen 3.470 N/A VAL 237.A N GLY 111.A O no hydrogen 3.268 N/A GLU 242.A N ASP 240.A OD1 no hydrogen 2.854 N/A SER 243.A OG ASP 240.A O no hydrogen 3.004 N/A ASN 248.A ND2 LYS 246.A O no hydrogen 3.618 N/A GLU 251.A N ASN 248.A OD1 no hydrogen 2.631 N/A LEU 253.A N HIS 249.A O no hydrogen 3.051 N/A GLU 254.A N GLU 250.A O no hydrogen 2.861 N/A ALA 255.A N GLU 251.A O no hydrogen 2.869 N/A GLY 256.A N VAL 252.A O no hydrogen 3.119 N/A LYS 257.A N LEU 253.A O no hydrogen 3.215 N/A LYS 257.A N GLU 254.A O no hydrogen 2.958 N/A GLN 258.A N GLU 254.A O no hydrogen 3.229 N/A ALA 259.A N ALA 255.A O no hydrogen 3.325 N/A ALA 260.A N LYS 257.A O no hydrogen 2.998 N/A GLN 261.A NE2 LYS 257.A O no hydrogen 3.551 N/A LYS 262.A NZ GLY 119.A O no hydrogen 2.882 N/A LEU 263.A N ALA 259.A O no hydrogen 2.894 N/A GLU 264.A N ALA 260.A O no hydrogen 2.844 N/A GLN 265.A N GLN 261.A O no hydrogen 2.975 N/A PHE 266.A N LYS 262.A O no hydrogen 3.001 N/A VAL 267.A N LEU 263.A O no hydrogen 3.093 N/A SER 268.A N GLU 264.A O no hydrogen 3.145 N/A LEU 269.A N GLN 265.A O no hydrogen 3.236 N/A LEU 270.A N PHE 266.A O no hydrogen 3.103 N/A ALA 272.A N LEU 269.A O no hydrogen 3.001 N/A SER 273.A N LEU 270.A O no hydrogen 3.135 N/A SER 273.A OG LEU 270.A O no hydrogen 3.403 N/A