Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k22_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A OG1 SER 9.A OG no hydrogen 2.960 N/A VAL 8.A N GLU 170.A OE2 no hydrogen 3.164 N/A SER 9.A N THR 6.A OG1 no hydrogen 3.054 N/A SER 9.A OG THR 6.A O no hydrogen 2.903 N/A SER 9.A OG THR 6.A OG1 no hydrogen 2.960 N/A LEU 11.A N LEU 7.A O no hydrogen 3.062 N/A GLU 12.A N VAL 8.A O no hydrogen 3.021 N/A VAL 13.A N SER 9.A O no hydrogen 3.436 N/A ILE 14.A N LEU 10.A O no hydrogen 3.067 N/A GLU 15.A N GLU 12.A O no hydrogen 3.320 N/A ALA 21.A N ASP 100.A OD1 no hydrogen 2.908 N/A TYR 23.A N ASP 100.A OD2 no hydrogen 3.032 N/A TYR 23.A OH ASP 29.A OD1 no hydrogen 2.914 N/A SER 26.A OG ASP 24.A OD1 no hydrogen 2.581 N/A SER 26.A OG ASP 24.A OD2 no hydrogen 2.953 N/A VAL 27.A N ASP 24.A OD2 no hydrogen 3.352 N/A THR 31.A OG1 PRO 111.A O no hydrogen 3.105 N/A ARG 33.A N SER 30.A OG no hydrogen 3.369 N/A ARG 33.A NE PRO 28.A O no hydrogen 3.330 N/A ARG 33.A NH1 ASP 24.A O no hydrogen 3.265 N/A ARG 33.A NH2 ASP 24.A O no hydrogen 3.071 N/A ARG 33.A NH2 PRO 28.A O no hydrogen 3.124 N/A ILE 34.A N SER 30.A O no hydrogen 3.044 N/A MET 35.A N THR 31.A O no hydrogen 2.698 N/A THR 36.A N TRP 32.A O no hydrogen 2.936 N/A THR 36.A OG1 TRP 32.A O no hydrogen 2.966 N/A THR 37.A N ARG 33.A O no hydrogen 3.190 N/A THR 37.A OG1 ARG 33.A O no hydrogen 2.719 N/A LEU 38.A N ILE 34.A O no hydrogen 2.950 N/A ASN 39.A N MET 35.A O no hydrogen 3.097 N/A ASN 39.A ND2 GLU 222.A O no hydrogen 3.075 N/A MET 40.A N THR 36.A O no hydrogen 3.175 N/A LEU 41.A N THR 37.A O no hydrogen 2.787 N/A GLY 42.A N LEU 38.A O no hydrogen 2.879 N/A GLY 43.A N ASN 39.A O no hydrogen 3.124 N/A ARG 44.A N MET 40.A O no hydrogen 3.256 N/A ARG 44.A NH2 TYR 20.A O no hydrogen 2.758 N/A GLN 45.A N LEU 41.A O no hydrogen 3.062 N/A GLN 45.A NE2 LEU 41.A O no hydrogen 3.581 N/A VAL 46.A N GLY 42.A O no hydrogen 3.152 N/A ILE 47.A N GLY 43.A O no hydrogen 3.235 N/A ALA 48.A N ARG 44.A O no hydrogen 3.039 N/A ALA 49.A N GLN 45.A O no hydrogen 2.775 N/A VAL 50.A N VAL 46.A O no hydrogen 2.975 N/A LYS 51.A N ILE 47.A O no hydrogen 3.321 N/A TRP 52.A N ALA 48.A O no hydrogen 3.005 N/A ALA 53.A N ALA 49.A O no hydrogen 2.730 N/A LYS 54.A N VAL 50.A O no hydrogen 2.991 N/A ALA 55.A N TRP 52.A O no hydrogen 2.993 N/A ILE 56.A N ALA 53.A O no hydrogen 3.112 N/A PHE 59.A N ILE 56.A O no hydrogen 2.977 N/A ASN 61.A N GLY 58.A O no hydrogen 3.271 N/A LEU 62.A N PHE 59.A O no hydrogen 3.125 N/A HIS 63.A N SER 156.A OG no hydrogen 3.139 N/A GLN 67.A N HIS 63.A O no hydrogen 2.893 N/A GLN 67.A NE2 LEU 62.A O no hydrogen 2.971 N/A MET 68.A N LEU 64.A O no hydrogen 2.853 N/A THR 69.A N ASP 65.A O no hydrogen 3.109 N/A THR 69.A OG1 ASP 65.A O no hydrogen 2.659 N/A LEU 70.A N ASP 66.A O no hydrogen 2.992 N/A GLN 72.A N MET 68.A O no hydrogen 2.940 N/A TYR 73.A N THR 69.A O no hydrogen 2.880 N/A SER 74.A N LEU 70.A O no hydrogen 2.911 N/A SER 74.A OG LEU 70.A O no hydrogen 2.550 N/A TRP 75.A N LEU 71.A O no hydrogen 3.244 N/A TYR 77.A OH HIS 200.A ND1 no hydrogen 2.530 N/A LEU 78.A N SER 74.A O no hydrogen 3.085 N/A MET 79.A N TRP 75.A O no hydrogen 3.015 N/A ALA 80.A N MET 76.A O no hydrogen 2.785 N/A PHE 81.A N TYR 77.A O no hydrogen 3.004 N/A ALA 82.A N LEU 78.A O no hydrogen 2.933 N/A LEU 83.A N MET 79.A O no hydrogen 2.897 N/A GLY 84.A N ALA 80.A O no hydrogen 2.999 N/A TRP 85.A N PHE 81.A O no hydrogen 2.948 N/A ARG 86.A N ALA 82.A O no hydrogen 3.022 N/A ARG 86.A NH1 PHE 97.A O no hydrogen 3.192 N/A SER 87.A N LEU 83.A O no hydrogen 3.039 N/A SER 87.A OG LEU 83.A O no hydrogen 2.834 N/A SER 87.A OG LEU 94.A O no hydrogen 3.332 N/A TYR 88.A N GLY 84.A O no hydrogen 2.984 N/A TYR 88.A OH GLN 131.A OE1 no hydrogen 3.206 N/A ARG 89.A N TRP 85.A O no hydrogen 2.913 N/A GLN 90.A N ARG 86.A O no hydrogen 2.954 N/A SER 91.A N SER 87.A O no hydrogen 3.208 N/A LEU 94.A N ALA 92.A O no hydrogen 3.030 N/A CYS 96.A N SER 87.A OG no hydrogen 2.842 N/A ALA 98.A N LEU 101.A O no hydrogen 3.309 N/A LEU 101.A N ALA 98.A O no hydrogen 3.087 N/A ILE 103.A N LEU 95.A O no hydrogen 2.916 N/A ASN 104.A N ILE 102.A O no hydrogen 2.903 N/A ARG 107.A N ASN 104.A OD1 no hydrogen 2.762 N/A ARG 107.A NE ASP 29.A OD1 no hydrogen 3.458 N/A ARG 107.A NE ASP 29.A OD2 no hydrogen 3.052 N/A ARG 107.A NH1 ILE 102.A O no hydrogen 2.961 N/A ARG 107.A NH2 ASP 29.A OD1 no hydrogen 3.258 N/A MET 108.A N ASN 104.A O no hydrogen 2.757 N/A THR 109.A N GLN 106.A O no hydrogen 3.117 N/A THR 109.A OG1 GLN 106.A O no hydrogen 2.638 N/A LEU 110.A N ARG 107.A O no hydrogen 3.080 N/A MET 113.A N LEU 110.A O no hydrogen 3.157 N/A GLN 116.A N MET 113.A O no hydrogen 3.228 N/A CYS 117.A N MET 113.A O no hydrogen 2.893 N/A CYS 117.A SG MET 113.A O no hydrogen 3.282 N/A LYS 118.A N TYR 114.A O no hydrogen 3.008 N/A LYS 118.A NZ ASP 115.A OD1 no hydrogen 3.047 N/A HIS 119.A N GLN 116.A O no hydrogen 3.394 N/A LEU 121.A N CYS 117.A O no hydrogen 2.844 N/A TYR 122.A N LYS 118.A O no hydrogen 3.008 N/A TYR 122.A OH SER 198.A OG no hydrogen 3.367 N/A SER 124.A N MET 120.A O no hydrogen 3.124 N/A SER 125.A N LEU 121.A O no hydrogen 2.893 N/A SER 125.A OG LEU 121.A O no hydrogen 3.033 N/A SER 125.A OG TYR 122.A O no hydrogen 3.054 N/A GLU 126.A N TYR 122.A O no hydrogen 2.994 N/A LEU 127.A N VAL 123.A O no hydrogen 3.174 N/A HIS 128.A N SER 124.A O no hydrogen 3.193 N/A ARG 129.A N SER 125.A O no hydrogen 2.727 N/A ARG 129.A NE GLU 126.A OE1 no hydrogen 2.975 N/A ARG 129.A NH2 GLU 126.A OE1 no hydrogen 3.255 N/A ARG 129.A NH2 GLU 126.A OE2 no hydrogen 3.351 N/A LEU 130.A N GLU 126.A O no hydrogen 3.043 N/A GLN 131.A N HIS 128.A O no hydrogen 3.073 N/A VAL 132.A N LEU 127.A O no hydrogen 3.297 N/A SER 133.A N GLU 136.A OE1 no hydrogen 2.728 N/A TYR 137.A N SER 133.A O no hydrogen 2.929 N/A TYR 137.A OH GLU 15.A OE2 no hydrogen 3.358 N/A LEU 138.A N TYR 134.A O no hydrogen 2.938 N/A CYS 139.A N GLU 135.A O no hydrogen 3.146 N/A CYS 139.A SG GLU 135.A O no hydrogen 3.349 N/A MET 140.A N GLU 136.A O no hydrogen 2.963 N/A LYS 141.A N TYR 137.A O no hydrogen 2.865 N/A LYS 141.A NZ GLU 15.A OE1 no hydrogen 2.885 N/A LYS 141.A NZ GLU 15.A OE2 no hydrogen 3.468 N/A THR 142.A N LEU 138.A O no hydrogen 3.104 N/A THR 142.A OG1 LEU 138.A O no hydrogen 2.841 N/A LEU 143.A N CYS 139.A O no hydrogen 2.966 N/A LEU 144.A N MET 140.A O no hydrogen 3.138 N/A LEU 144.A N LYS 141.A O no hydrogen 3.078 N/A LEU 145.A N LYS 141.A O no hydrogen 3.282 N/A LEU 146.A N LEU 143.A O no hydrogen 3.181 N/A SER 147.A N LEU 144.A O no hydrogen 3.161 N/A SER 147.A OG LEU 144.A O no hydrogen 2.697 N/A VAL 149.A N LYS 244.A O no hydrogen 3.178 N/A LYS 151.A N ASN 242.A O no hydrogen 2.880 N/A LEU 154.A N GLN 157.A OE1 no hydrogen 2.766 N/A LYS 155.A N ASP 66.A OD1 no hydrogen 3.067 N/A LYS 155.A NZ ASP 65.A OD2 no hydrogen 2.631 N/A SER 156.A N ASP 66.A OD2 no hydrogen 2.641 N/A SER 156.A OG ASP 66.A OD2 no hydrogen 3.135 N/A GLN 157.A NE2 ASP 161.A OD1 no hydrogen 3.135 N/A PHE 160.A N SER 156.A O no hydrogen 2.981 N/A ASP 161.A N GLN 157.A O no hydrogen 3.035 N/A GLU 162.A N GLU 158.A O no hydrogen 3.064 N/A ILE 163.A N LEU 159.A O no hydrogen 3.037 N/A ARG 164.A N PHE 160.A O no hydrogen 2.860 N/A ARG 164.A NE LEU 146.A O no hydrogen 3.043 N/A MET 165.A N ASP 161.A O no hydrogen 3.110 N/A THR 166.A N GLU 162.A O no hydrogen 2.919 N/A THR 166.A OG1 GLU 162.A O no hydrogen 2.767 N/A TYR 167.A N ILE 163.A O no hydrogen 3.146 N/A TYR 167.A OH PRO 57.A O no hydrogen 2.984 N/A ILE 168.A N ARG 164.A O no hydrogen 2.908 N/A LYS 169.A N MET 165.A O no hydrogen 2.943 N/A GLU 170.A N THR 166.A O no hydrogen 2.807 N/A LEU 171.A N TYR 167.A O no hydrogen 3.014 N/A GLY 172.A N ILE 168.A O no hydrogen 2.957 N/A LYS 173.A N LYS 169.A O no hydrogen 2.762 N/A ALA 174.A N GLU 170.A O no hydrogen 3.004 N/A ILE 175.A N LEU 171.A O no hydrogen 3.155 N/A VAL 176.A N GLY 172.A O no hydrogen 3.272 N/A LYS 177.A N LYS 173.A O no hydrogen 3.227 N/A LYS 177.A NZ GLU 135.A OE1 no hydrogen 3.373 N/A LYS 177.A NZ GLU 135.A OE2 no hydrogen 3.207 N/A ARG 178.A N ALA 174.A O no hydrogen 3.036 N/A ARG 178.A N ILE 175.A O no hydrogen 3.075 N/A ARG 178.A NE GLN 131.A O no hydrogen 3.422 N/A ARG 178.A NH1 GLN 131.A O no hydrogen 3.279 N/A SER 183.A N ASN 181.A OD1 no hydrogen 3.213 N/A GLN 184.A N ASN 181.A O no hydrogen 2.970 N/A GLN 184.A NE2 GLN 187.A OE1 no hydrogen 3.154 N/A ASN 185.A N SER 182.A O no hydrogen 3.307 N/A ARG 188.A N GLN 184.A O no hydrogen 2.830 N/A ARG 188.A NE GLU 136.A OE2 no hydrogen 2.917 N/A ARG 188.A NH1 LEU 130.A O no hydrogen 2.906 N/A ARG 188.A NH2 LEU 130.A O no hydrogen 2.892 N/A ARG 188.A NH2 GLU 136.A OE1 no hydrogen 3.009 N/A ARG 188.A NH2 GLU 136.A OE2 no hydrogen 3.567 N/A PHE 189.A N ASN 185.A O no hydrogen 2.853 N/A TYR 190.A N TRP 186.A O no hydrogen 2.974 N/A GLN 191.A N GLN 187.A O no hydrogen 2.793 N/A LEU 192.A N ARG 188.A O no hydrogen 2.782 N/A THR 193.A N PHE 189.A O no hydrogen 3.228 N/A THR 193.A OG1 PHE 189.A O no hydrogen 2.711 N/A THR 193.A OG1 TYR 190.A O no hydrogen 3.008 N/A THR 193.A OG1 HIS 249.A NE2 no hydrogen 2.715 N/A LYS 194.A N TYR 190.A O no hydrogen 3.000 N/A LYS 194.A NZ TYR 190.A OH no hydrogen 3.358 N/A LEU 195.A N GLN 191.A O no hydrogen 3.034 N/A LEU 196.A N LEU 192.A O no hydrogen 3.179 N/A ASP 197.A N THR 193.A O no hydrogen 3.120 N/A SER 198.A N LYS 194.A O no hydrogen 3.100 N/A SER 198.A OG TYR 122.A OH no hydrogen 3.367 N/A SER 198.A OG LEU 195.A O no hydrogen 2.605 N/A MET 199.A N LEU 196.A O no hydrogen 3.199 N/A HIS 200.A N ASP 197.A O no hydrogen 3.285 N/A HIS 200.A ND1 TYR 77.A OH no hydrogen 2.530 N/A HIS 200.A NE2 LEU 246.A O no hydrogen 3.199 N/A VAL 202.A N SER 198.A O no hydrogen 3.420 N/A VAL 203.A N MET 199.A O no hydrogen 2.825 N/A GLU 204.A N HIS 200.A O no hydrogen 2.813 N/A ASN 205.A N GLU 201.A O no hydrogen 3.146 N/A LEU 206.A N VAL 202.A O no hydrogen 3.076 N/A LEU 207.A N VAL 203.A O no hydrogen 2.729 N/A ASN 208.A N GLU 204.A O no hydrogen 3.189 N/A TYR 209.A N ASN 205.A O no hydrogen 3.192 N/A CYS 210.A N LEU 206.A O no hydrogen 2.963 N/A PHE 211.A N LEU 207.A O no hydrogen 2.776 N/A GLN 212.A N ASN 208.A O no hydrogen 3.038 N/A THR 213.A N TYR 209.A O no hydrogen 2.827 N/A THR 213.A OG1 TYR 209.A O no hydrogen 2.952 N/A PHE 214.A N CYS 210.A O no hydrogen 2.940 N/A LEU 215.A N PHE 211.A O no hydrogen 2.785 N/A ASP 216.A N THR 213.A O no hydrogen 3.432 N/A THR 218.A OG1 ASP 216.A OD1 no hydrogen 2.788 N/A THR 218.A OG1 ASP 216.A OD2 no hydrogen 3.401 N/A ALA 228.A N PRO 224.A O no hydrogen 2.768 N/A GLU 229.A N GLU 225.A O no hydrogen 3.036 N/A ILE 230.A N MET 226.A O no hydrogen 3.470 N/A ILE 231.A N LEU 227.A O no hydrogen 2.985 N/A THR 232.A N ALA 228.A O no hydrogen 2.870 N/A THR 232.A OG1 ALA 228.A O no hydrogen 2.733 N/A ASN 233.A N GLU 229.A O no hydrogen 2.701 N/A GLN 234.A N ILE 230.A O no hydrogen 2.989 N/A ILE 235.A N ILE 231.A O no hydrogen 3.006 N/A LYS 237.A NZ ASN 233.A OD1 no hydrogen 2.769 N/A TYR 238.A N GLN 234.A O no hydrogen 3.083 N/A SER 239.A N ILE 235.A O no hydrogen 3.249 N/A ASN 240.A N PRO 236.A O no hydrogen 3.076 N/A GLY 241.A N LYS 237.A O no hydrogen 3.256 N/A LYS 244.A N VAL 149.A O no hydrogen 2.772 N/A LEU 246.A N SER 147.A O no hydrogen 2.963 N/A PHE 248.A N ASP 197.A OD1 no hydrogen 2.775 N/A HIS 249.A N ASP 197.A OD2 no hydrogen 3.032 N/A HIS 249.A NE2 THR 193.A OG1 no hydrogen 2.715 N/A