Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2b50_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N LEU 1.A O no hydrogen 3.072 N/A SER 5.A OG LEU 1.A O no hydrogen 2.793 N/A LYS 6.A N LYS 2.A O no hydrogen 3.066 N/A HIS 7.A N ALA 3.A O no hydrogen 3.032 N/A HIS 7.A NE2 SER 87.A O no hydrogen 2.853 N/A ILE 8.A N PHE 4.A O no hydrogen 3.234 N/A TYR 9.A N SER 5.A O no hydrogen 3.066 N/A ASN 10.A N LYS 6.A O no hydrogen 2.889 N/A ALA 11.A N HIS 7.A O no hydrogen 3.049 N/A TYR 12.A N ILE 8.A O no hydrogen 2.953 N/A TYR 12.A OH ASP 166.A OD1 no hydrogen 2.683 N/A LEU 13.A N TYR 9.A O no hydrogen 2.938 N/A LYS 14.A N ASN 10.A O no hydrogen 2.785 N/A ASN 15.A N TYR 12.A O no hydrogen 3.320 N/A ASN 15.A ND2 ALA 11.A O no hydrogen 2.638 N/A ASN 15.A ND2 SER 87.A OG no hydrogen 3.379 N/A PHE 16.A N TYR 12.A O no hydrogen 3.169 N/A ASN 17.A N GLU 80.A OE2 no hydrogen 3.313 N/A LYS 20.A N ASP 166.A OD1 no hydrogen 2.876 N/A LYS 20.A NZ LEU 164.A O no hydrogen 2.976 N/A LYS 21.A N ASP 166.A OD2 no hydrogen 3.173 N/A LYS 22.A N THR 19.A OG1 no hydrogen 3.293 N/A ALA 23.A N THR 19.A O no hydrogen 2.921 N/A ARG 24.A N LYS 20.A O no hydrogen 2.749 N/A ARG 24.A NH1 ALA 116.A O no hydrogen 3.510 N/A ARG 24.A NH1 SER 117.A O no hydrogen 2.647 N/A ARG 24.A NH1 VAL 119.A O no hydrogen 2.926 N/A ARG 24.A NH2 VAL 119.A O no hydrogen 2.738 N/A SER 25.A N LYS 21.A O no hydrogen 3.168 N/A SER 25.A OG LYS 21.A O no hydrogen 3.340 N/A SER 25.A OG LYS 22.A O no hydrogen 3.207 N/A ILE 26.A N LYS 22.A O no hydrogen 3.091 N/A LEU 27.A N ALA 23.A O no hydrogen 2.931 N/A THR 28.A N ARG 24.A O no hydrogen 2.925 N/A THR 28.A OG1 ARG 24.A O no hydrogen 2.870 N/A GLY 29.A N ILE 26.A O no hydrogen 3.096 N/A LYS 30.A N SER 25.A O no hydrogen 2.701 N/A HIS 33.A N LYS 30.A O no hydrogen 3.223 N/A PHE 37.A N SER 130.A O no hydrogen 2.975 N/A ILE 39.A N PHE 132.A O no hydrogen 2.698 N/A HIS 40.A N THR 44.A OG1 no hydrogen 3.024 N/A ASP 41.A N THR 44.A OG1 no hydrogen 3.105 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.845 N/A THR 44.A N ASP 41.A OD1 no hydrogen 2.865 N/A THR 44.A OG1 ASP 41.A O no hydrogen 3.152 N/A THR 44.A OG1 ASP 41.A OD1 no hydrogen 2.630 N/A LEU 45.A N ASP 41.A O no hydrogen 3.094 N/A TRP 46.A N ILE 42.A O no hydrogen 3.048 N/A GLN 47.A N GLU 43.A O no hydrogen 2.932 N/A ALA 48.A N THR 44.A O no hydrogen 2.874 N/A GLU 49.A N LEU 45.A O no hydrogen 3.180 N/A LYS 50.A N TRP 46.A O no hydrogen 3.232 N/A LYS 50.A N GLN 47.A O no hydrogen 3.072 N/A GLY 51.A N GLN 47.A O no hydrogen 3.326 N/A VAL 53.A N ALA 48.A O no hydrogen 3.397 N/A TRP 54.A N ALA 48.A O no hydrogen 2.938 N/A LYS 55.A NZ GLY 51.A O no hydrogen 2.927 N/A HIS 65.A N GLU 61.A O no hydrogen 2.843 N/A HIS 65.A NE2 GLU 49.A OE2 no hydrogen 2.623 N/A VAL 66.A N ILE 62.A O no hydrogen 3.092 N/A PHE 67.A N SER 63.A O no hydrogen 3.089 N/A TYR 68.A N VAL 64.A O no hydrogen 2.807 N/A ARG 69.A N HIS 65.A O no hydrogen 3.034 N/A ARG 69.A NE GLU 49.A OE2 no hydrogen 2.896 N/A ARG 69.A NH2 GLU 49.A OE1 no hydrogen 3.034 N/A CYS 70.A N VAL 66.A O no hydrogen 2.966 N/A CYS 70.A SG VAL 66.A O no hydrogen 3.469 N/A GLN 71.A N PHE 67.A O no hydrogen 3.041 N/A GLN 71.A NE2 SER 249.A O no hydrogen 2.891 N/A CYS 72.A N TYR 68.A O no hydrogen 3.088 N/A CYS 72.A SG TYR 68.A O no hydrogen 3.431 N/A THR 73.A N ARG 69.A O no hydrogen 3.303 N/A THR 73.A OG1 ARG 69.A O no hydrogen 2.813 N/A THR 74.A N CYS 70.A O no hydrogen 3.063 N/A THR 74.A OG1 CYS 70.A O no hydrogen 3.405 N/A THR 74.A OG1 GLN 71.A O no hydrogen 3.366 N/A VAL 75.A N GLN 71.A O no hydrogen 2.994 N/A GLU 76.A N CYS 72.A O no hydrogen 3.041 N/A THR 77.A N THR 73.A O no hydrogen 2.960 N/A THR 77.A OG1 THR 73.A O no hydrogen 2.673 N/A VAL 78.A N THR 74.A O no hydrogen 2.881 N/A ARG 79.A N VAL 75.A O no hydrogen 3.225 N/A GLU 80.A N GLU 76.A O no hydrogen 3.119 N/A LEU 81.A N THR 77.A O no hydrogen 2.812 N/A THR 82.A N VAL 78.A O no hydrogen 2.973 N/A THR 82.A OG1 VAL 78.A O no hydrogen 2.757 N/A GLU 83.A N ARG 79.A O no hydrogen 3.247 N/A PHE 84.A N GLU 80.A O no hydrogen 2.890 N/A ALA 85.A N LEU 81.A O no hydrogen 2.865 N/A LYS 86.A N THR 82.A O no hydrogen 2.933 N/A LYS 86.A NZ GLU 83.A OE1 no hydrogen 3.068 N/A LYS 86.A NZ GLU 83.A OE2 no hydrogen 2.837 N/A SER 87.A N GLU 83.A O no hydrogen 3.203 N/A SER 87.A N PHE 84.A O no hydrogen 3.052 N/A SER 87.A OG GLU 83.A O no hydrogen 2.873 N/A ILE 88.A N ALA 85.A O no hydrogen 3.142 N/A SER 92.A N ILE 88.A O no hydrogen 3.274 N/A SER 92.A OG LYS 86.A O no hydrogen 2.791 N/A SER 93.A N PRO 89.A O no hydrogen 3.185 N/A SER 93.A OG SER 90.A O no hydrogen 2.979 N/A LEU 94.A N PHE 91.A O no hydrogen 3.168 N/A GLN 99.A N PHE 95.A O no hydrogen 3.217 N/A GLN 99.A NE2 LEU 94.A O no hydrogen 2.999 N/A VAL 100.A N LEU 96.A O no hydrogen 3.032 N/A THR 101.A N ASN 97.A O no hydrogen 3.087 N/A THR 101.A OG1 ASN 97.A O no hydrogen 3.185 N/A LEU 102.A N ASP 98.A O no hydrogen 3.075 N/A LEU 103.A N GLN 99.A O no hydrogen 3.170 N/A LYS 104.A N VAL 100.A O no hydrogen 2.822 N/A LYS 104.A NZ ASP 260.A OD2 no hydrogen 3.180 N/A TYR 105.A N THR 101.A O no hydrogen 3.153 N/A GLY 106.A N LEU 103.A O no hydrogen 3.222 N/A VAL 107.A N LEU 103.A O no hydrogen 2.932 N/A ALA 110.A N GLY 106.A O no hydrogen 3.076 N/A ILE 111.A N VAL 107.A O no hydrogen 2.760 N/A PHE 112.A N HIS 108.A O no hydrogen 3.071 N/A ALA 113.A N GLU 109.A O no hydrogen 3.148 N/A MET 114.A N ALA 110.A O no hydrogen 2.997 N/A LEU 115.A N ILE 111.A O no hydrogen 2.798 N/A ALA 116.A N ALA 113.A O no hydrogen 3.384 N/A SER 117.A N MET 114.A O no hydrogen 2.821 N/A ILE 118.A N LEU 115.A O no hydrogen 2.993 N/A VAL 119.A N ALA 116.A O no hydrogen 3.439 N/A ASN 120.A N GLY 123.A O no hydrogen 2.986 N/A ASP 122.A N ASN 120.A OD1 no hydrogen 2.950 N/A GLY 123.A N ASN 120.A O no hydrogen 3.256 N/A LEU 124.A N VAL 133.A O no hydrogen 2.954 N/A LEU 125.A N ILE 118.A O no hydrogen 2.904 N/A VAL 126.A N GLY 131.A O no hydrogen 2.875 N/A SER 130.A N ALA 127.A O no hydrogen 2.971 N/A GLY 131.A N VAL 126.A O no hydrogen 3.126 N/A PHE 132.A N PHE 37.A O no hydrogen 2.959 N/A VAL 133.A N LEU 124.A O no hydrogen 2.867 N/A THR 134.A N ILE 39.A O no hydrogen 3.029 N/A ARG 135.A N ASP 122.A O no hydrogen 2.729 N/A ARG 135.A NE GLU 150.A OE1 no hydrogen 3.006 N/A ARG 135.A NH1 LYS 121.A O no hydrogen 3.258 N/A ARG 135.A NH2 GLU 150.A OE2 no hydrogen 2.950 N/A PHE 137.A N THR 134.A OG1 no hydrogen 2.932 N/A LEU 138.A N THR 134.A O no hydrogen 3.228 N/A ARG 139.A N ARG 135.A O no hydrogen 3.122 N/A ARG 139.A NH2 GLU 150.A OE2 no hydrogen 2.798 N/A SER 140.A N PHE 137.A O no hydrogen 3.089 N/A SER 140.A OG PHE 137.A O no hydrogen 2.525 N/A ARG 142.A N SER 63.A OG no hydrogen 2.996 N/A ARG 142.A NE GLU 61.A OE1 no hydrogen 2.838 N/A ARG 142.A NH1 GLU 245.A OE2 no hydrogen 2.860 N/A ARG 142.A NH2 GLU 61.A OE1 no hydrogen 3.369 N/A ARG 142.A NH2 GLU 61.A OE2 no hydrogen 3.113 N/A ARG 142.A NH2 GLU 245.A OE1 no hydrogen 2.992 N/A SER 146.A N ARG 142.A O no hydrogen 3.018 N/A SER 146.A OG LEU 141.A O no hydrogen 3.138 N/A SER 146.A OG ARG 142.A O no hydrogen 3.050 N/A SER 146.A OG LYS 143.A O no hydrogen 3.394 N/A ASP 147.A N LYS 143.A O no hydrogen 3.192 N/A LYS 152.A N ILE 149.A O no hydrogen 2.865 N/A LYS 152.A NZ ILE 148.A O no hydrogen 2.809 N/A LYS 152.A NZ HIS 234.A ND1 no hydrogen 2.907 N/A PHE 153.A N ILE 149.A O no hydrogen 3.340 N/A GLU 154.A N GLU 150.A O no hydrogen 3.071 N/A PHE 155.A N PRO 151.A O no hydrogen 3.055 N/A ALA 156.A N LYS 152.A O no hydrogen 2.876 N/A VAL 157.A N PHE 153.A O no hydrogen 3.029 N/A PHE 159.A N PHE 155.A O no hydrogen 2.944 N/A ASN 160.A N ALA 156.A O no hydrogen 2.720 N/A ASN 160.A ND2 ALA 116.A O no hydrogen 2.733 N/A ASN 160.A ND2 VAL 119.A O no hydrogen 3.380 N/A ALA 161.A N VAL 157.A O no hydrogen 3.342 N/A ALA 161.A N LYS 158.A O no hydrogen 3.150 N/A LEU 162.A N PHE 159.A O no hydrogen 2.966 N/A GLU 163.A N ASN 160.A O no hydrogen 3.094 N/A ASP 165.A N ASP 168.A OD2 no hydrogen 2.994 N/A SER 167.A OG ASP 165.A OD1 no hydrogen 2.571 N/A SER 167.A OG ASP 165.A OD2 no hydrogen 3.385 N/A SER 167.A OG HIS 205.A NE2 no hydrogen 2.953 N/A ASP 168.A N ASP 165.A OD1 no hydrogen 2.903 N/A LEU 169.A N ASP 165.A O no hydrogen 2.885 N/A ALA 170.A N ASP 166.A O no hydrogen 2.911 N/A PHE 172.A N ASP 168.A O no hydrogen 3.086 N/A ILE 173.A N LEU 169.A O no hydrogen 2.935 N/A ALA 174.A N ALA 170.A O no hydrogen 3.069 N/A ALA 175.A N LEU 171.A O no hydrogen 2.928 N/A ILE 176.A N PHE 172.A O no hydrogen 3.129 N/A ILE 177.A N ILE 173.A O no hydrogen 3.113 N/A LEU 178.A N ALA 174.A O no hydrogen 3.027 N/A CYS 179.A SG ASP 181.A OD1 no hydrogen 3.141 N/A GLY 180.A N GLN 195.A OE1 no hydrogen 3.407 N/A ARG 182.A NH1 GLU 109.A OE2 no hydrogen 2.924 N/A ARG 182.A NH2 GLU 109.A OE1 no hydrogen 2.794 N/A ARG 182.A NH2 ILE 176.A O no hydrogen 3.028 N/A LEU 185.A N ARG 182.A O no hydrogen 3.376 N/A MET 186.A N ASP 98.A OD1 no hydrogen 2.837 N/A ASN 187.A N ASP 98.A OD2 no hydrogen 3.146 N/A ARG 190.A N ASN 187.A OD1 no hydrogen 3.130 N/A VAL 191.A N ASN 187.A O no hydrogen 3.359 N/A GLU 192.A N VAL 188.A O no hydrogen 2.895 N/A ALA 193.A N PRO 189.A O no hydrogen 3.122 N/A ILE 194.A N ARG 190.A O no hydrogen 2.946 N/A GLN 195.A N VAL 191.A O no hydrogen 2.858 N/A GLN 195.A NE2 ALA 175.A O no hydrogen 2.906 N/A ASP 196.A N GLU 192.A O no hydrogen 3.025 N/A THR 197.A N ALA 193.A O no hydrogen 3.249 N/A THR 197.A OG1 ALA 193.A O no hydrogen 2.942 N/A ILE 198.A N ILE 194.A O no hydrogen 3.093 N/A LEU 199.A N GLN 195.A O no hydrogen 2.862 N/A ARG 200.A N ASP 196.A O no hydrogen 2.750 N/A ALA 201.A N THR 197.A O no hydrogen 2.959 N/A LEU 202.A N ILE 198.A O no hydrogen 2.852 N/A GLU 203.A N LEU 199.A O no hydrogen 2.904 N/A PHE 204.A N ARG 200.A O no hydrogen 2.848 N/A HIS 205.A N ALA 201.A O no hydrogen 2.746 N/A HIS 205.A NE2 SER 167.A OG no hydrogen 2.953 N/A LEU 206.A N LEU 202.A O no hydrogen 2.887 N/A GLN 207.A N GLU 203.A O no hydrogen 3.156 N/A GLN 207.A NE2 GLU 203.A O no hydrogen 3.326 N/A ALA 208.A N HIS 205.A O no hydrogen 3.026 N/A ASN 209.A N HIS 205.A O no hydrogen 2.782 N/A ASN 209.A ND2 ASP 165.A OD1 no hydrogen 3.424 N/A ASN 209.A ND2 ASP 165.A OD2 no hydrogen 2.917 N/A ASN 209.A ND2 ASP 168.A OD1 no hydrogen 2.797 N/A ASN 209.A ND2 HIS 205.A NE2 no hydrogen 3.510 N/A HIS 210.A N LEU 206.A O no hydrogen 2.773 N/A HIS 210.A NE2 ASP 168.A OD2 no hydrogen 2.505 N/A ALA 213.A N HIS 210.A O no hydrogen 3.185 N/A LEU 216.A N ALA 213.A O no hydrogen 3.439 N/A LYS 219.A N GLN 215.A O no hydrogen 3.100 N/A LEU 220.A N LEU 216.A O no hydrogen 2.983 N/A LEU 221.A N PHE 217.A O no hydrogen 2.985 N/A GLN 222.A N PRO 218.A O no hydrogen 3.215 N/A LYS 223.A N LYS 219.A O no hydrogen 3.166 N/A MET 224.A N LEU 220.A O no hydrogen 3.093 N/A ALA 225.A N LEU 221.A O no hydrogen 3.260 N/A ASP 226.A N GLN 222.A O no hydrogen 2.851 N/A LEU 227.A N LYS 223.A O no hydrogen 2.842 N/A ARG 228.A N MET 224.A O no hydrogen 3.077 N/A ARG 228.A NH1 ASP 181.A OD2 no hydrogen 2.656 N/A ARG 228.A NH2 ASP 181.A OD1 no hydrogen 3.481 N/A ARG 228.A NH2 ASP 181.A OD2 no hydrogen 3.463 N/A GLN 229.A N ALA 225.A O no hydrogen 3.198 N/A LEU 230.A N ASP 226.A O no hydrogen 2.833 N/A VAL 231.A N LEU 227.A O no hydrogen 2.903 N/A THR 232.A N ARG 228.A O no hydrogen 3.071 N/A THR 232.A OG1 ARG 228.A O no hydrogen 3.075 N/A GLU 233.A N GLN 229.A O no hydrogen 3.102 N/A HIS 234.A N LEU 230.A O no hydrogen 3.050 N/A ALA 235.A N VAL 231.A O no hydrogen 2.827 N/A GLN 236.A N THR 232.A O no hydrogen 3.248 N/A MET 237.A N GLU 233.A O no hydrogen 3.088 N/A MET 238.A N HIS 234.A O no hydrogen 2.883 N/A GLN 239.A N ALA 235.A O no hydrogen 3.014 N/A GLN 239.A NE2 TYR 258.A O no hydrogen 3.537 N/A ARG 240.A N GLN 236.A O no hydrogen 3.052 N/A ILE 241.A N MET 237.A O no hydrogen 3.014 N/A LYS 242.A N MET 238.A O no hydrogen 3.038 N/A LYS 243.A N GLN 239.A O no hydrogen 3.041 N/A THR 244.A N ARG 240.A O no hydrogen 2.797 N/A THR 244.A OG1 ARG 240.A O no hydrogen 3.034 N/A GLU 245.A N ILE 241.A O no hydrogen 2.743 N/A THR 248.A N GLU 245.A O no hydrogen 3.023 N/A SER 249.A N TYR 68.A OH no hydrogen 2.829 N/A HIS 251.A N GLN 71.A OE1 no hydrogen 2.743 N/A LEU 253.A N HIS 251.A ND1 no hydrogen 3.103 N/A GLN 255.A N HIS 251.A O no hydrogen 3.058 N/A GLN 255.A NE2 LEU 250.A O no hydrogen 2.626 N/A GLU 256.A N PRO 252.A O no hydrogen 3.041 N/A ILE 257.A N LEU 253.A O no hydrogen 3.081 N/A TYR 258.A N LEU 254.A O no hydrogen 3.085 N/A LYS 259.A N GLN 255.A O no hydrogen 3.156 N/A LYS 259.A NZ GLU 256.A OE2 no hydrogen 2.700 N/A MET 261.A N TYR 258.A O no hydrogen 3.136 N/A