Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i1j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLN 239.A OXT no hydrogen 2.971 N/A TYR 4.A OH ASP 227.A OD2 no hydrogen 2.517 N/A LEU 10.A N HIS 7.A O no hydrogen 2.907 N/A LEU 11.A N HIS 36.A O no hydrogen 2.809 N/A LYS 12.A N GLU 9.A O no hydrogen 3.042 N/A ARG 14.A N LEU 11.A O no hydrogen 3.095 N/A ARG 14.A NH1 ASP 142.A O no hydrogen 3.037 N/A ARG 14.A NH1 ASP 142.A OD2 no hydrogen 3.316 N/A ARG 14.A NH2 ASP 142.A OD2 no hydrogen 2.863 N/A VAL 15.A N ASP 95.A OD2 no hydrogen 2.845 N/A ILE 16.A N SER 39.A O no hydrogen 2.848 N/A LEU 17.A N GLY 96.A O no hydrogen 2.934 N/A VAL 18.A N VAL 41.A O no hydrogen 2.933 N/A THR 19.A N LEU 98.A O no hydrogen 3.063 N/A THR 19.A OG1 LEU 98.A O no hydrogen 3.569 N/A ALA 21.A N LEU 43.A O no hydrogen 3.071 N/A ALA 27.A N ARG 23.A O no hydrogen 3.166 N/A ALA 28.A N GLY 24.A O no hydrogen 3.103 N/A ALA 29.A N ILE 25.A O no hydrogen 2.846 N/A ALA 30.A N GLY 26.A O no hydrogen 2.936 N/A ARG 31.A N ALA 27.A O no hydrogen 2.890 N/A ARG 31.A NH2 GLN 56.A OE1 no hydrogen 2.642 N/A ALA 32.A N ALA 28.A O no hydrogen 2.825 N/A TYR 33.A N ALA 29.A O no hydrogen 2.760 N/A TYR 33.A OH TYR 221.A O no hydrogen 2.837 N/A ALA 34.A N ALA 30.A O no hydrogen 3.037 N/A ALA 35.A N ARG 31.A O no hydrogen 2.983 N/A HIS 36.A N ALA 32.A O no hydrogen 3.006 N/A HIS 36.A N TYR 33.A O no hydrogen 3.104 N/A HIS 36.A ND1 ALA 32.A O no hydrogen 2.819 N/A GLY 37.A N ALA 34.A O no hydrogen 3.043 N/A ALA 38.A N TYR 33.A O no hydrogen 3.016 N/A SER 39.A N ARG 14.A O no hydrogen 2.879 N/A VAL 41.A N ILE 16.A O no hydrogen 2.834 N/A LEU 42.A N LEU 66.A O no hydrogen 2.693 N/A LEU 43.A N VAL 18.A O no hydrogen 3.029 N/A GLY 44.A N ILE 68.A O no hydrogen 3.151 N/A ARG 45.A NH1 GLU 73.A OE1 no hydrogen 2.765 N/A ARG 45.A NH1 GLU 73.A OE2 no hydrogen 3.220 N/A ARG 45.A NH2 GLU 73.A OE2 no hydrogen 2.823 N/A SER 49.A N THR 46.A OG1 no hydrogen 3.014 N/A SER 49.A OG THR 46.A O no hydrogen 2.810 N/A SER 49.A OG THR 46.A OG1 no hydrogen 3.289 N/A LEU 50.A N GLU 47.A O no hydrogen 3.064 N/A ALA 51.A N ALA 48.A O no hydrogen 3.461 N/A SER 54.A N LEU 50.A O no hydrogen 2.992 N/A ASP 55.A N ALA 51.A O no hydrogen 2.811 N/A GLN 56.A N GLU 52.A O no hydrogen 2.870 N/A ILE 57.A N VAL 53.A O no hydrogen 3.012 N/A LYS 58.A N SER 54.A O no hydrogen 2.916 N/A SER 59.A N ASP 55.A O no hydrogen 2.968 N/A SER 59.A OG ASP 55.A O no hydrogen 3.368 N/A SER 59.A OG GLN 56.A O no hydrogen 2.834 N/A ALA 60.A N GLN 56.A O no hydrogen 3.047 N/A GLY 61.A N LYS 58.A O no hydrogen 3.020 N/A GLN 62.A N ILE 57.A O no hydrogen 3.123 N/A LEU 66.A N VAL 40.A O.A no hydrogen 3.154 N/A LEU 66.A N VAL 40.A O.B no hydrogen 3.165 N/A ILE 68.A N LEU 42.A O no hydrogen 2.756 N/A LEU 70.A N GLY 44.A O no hydrogen 2.942 N/A GLU 73.A N ASN 71.A OD1 no hydrogen 3.023 N/A ASN 74.A N ASN 71.A O no hydrogen 3.217 N/A ASN 74.A N ASN 71.A OD1 no hydrogen 3.275 N/A ALA 75.A N ASN 71.A O no hydrogen 2.786 N/A THR 76.A N GLN 79.A OE1 no hydrogen 2.763 N/A THR 76.A OG1 GLN 79.A OE1 no hydrogen 2.968 N/A GLN 78.A N THR 76.A OG1 no hydrogen 3.171 N/A TYR 80.A N THR 76.A O no hydrogen 3.158 N/A ARG 81.A N ALA 77.A O no hydrogen 2.784 N/A GLU 82.A N GLN 78.A O no hydrogen 2.898 N/A LEU 83.A N GLN 79.A O no hydrogen 2.962 N/A ALA 84.A N TYR 80.A O no hydrogen 3.099 N/A ALA 85.A N ARG 81.A O no hydrogen 2.950 N/A ARG 86.A N GLU 82.A O no hydrogen 2.973 N/A VAL 87.A N LEU 83.A O no hydrogen 3.033 N/A GLU 88.A N ALA 84.A O no hydrogen 2.803 N/A HIS 89.A N ALA 85.A O no hydrogen 2.803 N/A GLU 90.A N ARG 86.A O no hydrogen 3.126 N/A PHE 91.A N VAL 87.A O no hydrogen 2.851 N/A ARG 93.A NE ASP 95.A OD1 no hydrogen 3.295 N/A ARG 93.A NE ASP 95.A OD2 no hydrogen 2.835 N/A ARG 93.A NH2 GLY 13.A O no hydrogen 2.832 N/A LEU 94.A N LEU 136.A O no hydrogen 3.115 N/A ASP 95.A N VAL 15.A O no hydrogen 2.806 N/A GLY 96.A N VAL 15.A O no hydrogen 3.107 N/A LEU 97.A N SER 144.A O no hydrogen 2.849 N/A LEU 98.A N LEU 17.A O no hydrogen 2.867 N/A HIS 99.A N ALA 146.A O no hydrogen 2.859 N/A HIS 99.A NE2 THR 130.A OG1 no hydrogen 2.699 N/A ASN 100.A N THR 19.A OG1 no hydrogen 2.923 N/A ASN 100.A ND2 THR 19.A O no hydrogen 3.134 N/A ALA 101.A N THR 19.A OG1 no hydrogen 2.989 N/A SER 102.A OG ALA 101.A O no hydrogen 2.732 N/A ILE 103.A N ASN 123.A OD1 no hydrogen 2.833 N/A ARG 107.A NE ASN 159.A O no hydrogen 2.900 N/A ARG 107.A NH1 ALA 203.A O no hydrogen 2.845 N/A ARG 107.A NH2 ALA 158.A O no hydrogen 3.537 N/A ARG 107.A NH2 ASN 159.A O no hydrogen 3.560 N/A THR 108.A OG1 PRO 109.A O no hydrogen 2.885 N/A GLN 112.A N PRO 109.A O no hydrogen 3.009 N/A LEU 113.A N LEU 110.A O no hydrogen 3.182 N/A PHE 118.A N PRO 114.A O no hydrogen 3.039 N/A VAL 120.A N ASP 117.A O no hydrogen 3.066 N/A VAL 122.A N GLN 119.A O no hydrogen 2.859 N/A ASN 123.A N VAL 120.A O no hydrogen 2.872 N/A ASN 123.A ND2 ILE 103.A O no hydrogen 2.799 N/A ASN 123.A ND2 SER 166.A OG no hydrogen 3.022 N/A ASN 125.A ND2 HIS 121.A ND1 no hydrogen 3.136 N/A ALA 126.A N HIS 121.A O no hydrogen 2.902 N/A THR 127.A OG1 ASN 123.A O no hydrogen 2.805 N/A PHE 128.A N VAL 124.A O no hydrogen 2.916 N/A THR 130.A N THR 127.A O no hydrogen 2.938 N/A THR 130.A OG1 HIS 99.A NE2 no hydrogen 2.699 N/A THR 130.A OG1 THR 127.A O no hydrogen 2.707 N/A ARG 131.A N PHE 128.A O no hydrogen 2.828 N/A LEU 133.A N LEU 129.A O no hydrogen 3.059 N/A LEU 133.A N THR 130.A O no hydrogen 3.235 N/A LEU 134.A N THR 130.A O no hydrogen 2.806 N/A LEU 137.A N LEU 133.A O no hydrogen 2.939 N/A LYS 138.A N LEU 134.A O no hydrogen 2.838 N/A ARG 139.A N LEU 136.A O no hydrogen 3.040 N/A SER 140.A N LEU 137.A O no hydrogen 3.204 N/A SER 140.A OG ASP 95.A OD1 no hydrogen 2.630 N/A ASP 142.A N SER 140.A OG no hydrogen 3.025 N/A ALA 143.A N ALA 185.A O no hydrogen 2.867 N/A SER 144.A N ASP 95.A O no hydrogen 2.875 N/A SER 144.A OG LEU 224.A O no hydrogen 2.725 N/A ILE 145.A N ARG 187.A O no hydrogen 2.815 N/A ALA 146.A N LEU 97.A O no hydrogen 2.841 N/A PHE 147.A N ASN 189.A O no hydrogen 2.850 N/A THR 148.A N HIS 99.A O no hydrogen 3.156 N/A THR 148.A OG1 HIS 99.A O no hydrogen 2.645 N/A SER 149.A N ILE 191.A O no hydrogen 2.733 N/A SER 149.A OG SER 150.A O no hydrogen 3.532 N/A SER 149.A OG GLU 171.A OE2 no hydrogen 2.640 N/A VAL 152.A N SER 150.A OG no hydrogen 3.132 N/A GLY 153.A N SER 150.A O no hydrogen 2.913 N/A ARG 154.A N SER 151.A O no hydrogen 3.125 N/A ARG 154.A NE GLU 171.A OE2 no hydrogen 2.858 N/A ARG 154.A NH1 LEU 236.A O no hydrogen 3.282 N/A ARG 154.A NH2 GLU 171.A OE2 no hydrogen 3.399 N/A ARG 154.A NH2 SER 190.A OG no hydrogen 3.019 N/A ARG 154.A NH2 LEU 236.A O no hydrogen 2.985 N/A LYS 155.A N SER 151.A O no hydrogen 2.880 N/A LYS 155.A NZ GLY 156.A O no hydrogen 2.566 N/A TYR 163.A N TRP 160.A O no hydrogen 2.824 N/A GLY 164.A N TRP 160.A O no hydrogen 3.471 N/A SER 166.A N ALA 162.A O no hydrogen 2.842 N/A SER 166.A OG TYR 163.A O no hydrogen 2.765 N/A LYS 167.A N TYR 163.A O no hydrogen 3.049 N/A LYS 167.A NZ SER 102.A OG no hydrogen 2.797 N/A LYS 167.A NZ THR 148.A O no hydrogen 2.796 N/A PHE 168.A N GLY 164.A O no hydrogen 2.918 N/A ALA 169.A N VAL 165.A O no hydrogen 2.997 N/A THR 170.A N SER 166.A O no hydrogen 2.880 N/A THR 170.A OG1 SER 166.A O no hydrogen 2.771 N/A GLU 171.A N LYS 167.A O no hydrogen 2.998 N/A GLY 172.A N PHE 168.A O no hydrogen 3.004 N/A LEU 173.A N ALA 169.A O no hydrogen 2.739 N/A THR 175.A N GLY 172.A O no hydrogen 3.009 N/A THR 175.A OG1 GLY 172.A O no hydrogen 2.859 N/A LEU 176.A N LEU 173.A O no hydrogen 2.914 N/A ASP 178.A N GLN 174.A O no hydrogen 3.162 N/A GLU 179.A N THR 175.A O no hydrogen 3.120 N/A LEU 180.A N LEU 176.A O no hydrogen 2.830 N/A GLU 181.A N ALA 177.A O no hydrogen 3.032 N/A THR 184.A N LEU 180.A O no hydrogen 3.251 N/A THR 184.A OG1 LEU 180.A O no hydrogen 2.914 N/A VAL 186.A N THR 184.A OG1 no hydrogen 3.056 N/A ARG 187.A N ALA 143.A O no hydrogen 2.911 N/A ARG 187.A NE LEU 224.A O no hydrogen 3.465 N/A ARG 187.A NE SER 228.A OG no hydrogen 2.992 N/A ARG 187.A NH1 ASP 142.A OD1 no hydrogen 2.915 N/A ARG 187.A NH2 ASP 142.A OD2 no hydrogen 2.900 N/A ARG 187.A NH2 GLY 225.A O no hydrogen 2.972 N/A ARG 187.A NH2 SER 228.A OG no hydrogen 3.329 N/A ASN 189.A N ILE 145.A O no hydrogen 3.022 N/A ASN 189.A ND2 ILE 231.A O no hydrogen 2.893 N/A SER 190.A N GLN 234.A O no hydrogen 2.932 N/A SER 190.A OG GLU 171.A OE1 no hydrogen 2.799 N/A SER 190.A OG GLU 171.A OE2 no hydrogen 3.240 N/A ILE 191.A N PHE 147.A O no hydrogen 2.836 N/A ASN 192.A N LEU 236.A O no hydrogen 2.835 N/A ASN 192.A ND2 ASN 237.A OD1 no hydrogen 3.260 N/A GLY 194.A N ASN 192.A OD1 no hydrogen 3.192 N/A ARG 197.A N.A PRO 213.A O no hydrogen 2.842 N/A ARG 197.A N.B PRO 213.A O no hydrogen 2.813 N/A ARG 197.A NE.A PRO 209.A O no hydrogen 3.241 N/A THR 198.A N THR 196.A O no hydrogen 3.052 N/A ARG 200.A NE GLU 207.A OE1 no hydrogen 2.878 N/A ARG 200.A NH2 GLU 207.A OE2 no hydrogen 2.869 N/A ALA 201.A N THR 198.A O no hydrogen 3.075 N/A GLN 202.A N GLY 199.A O no hydrogen 2.964 N/A TYR 204.A N ARG 200.A O no hydrogen 2.992 N/A GLU 207.A N TYR 204.A O no hydrogen 3.164 N/A ASN 211.A N ASN 208.A O no hydrogen 3.062 N/A ASN 212.A N PRO 209.A O no hydrogen 2.905 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.796 N/A ASP 217.A N ALA 214.A O no hydrogen 2.909 N/A ILE 218.A N PRO 215.A O no hydrogen 3.126 N/A TYR 223.A N PRO 219.A O no hydrogen 2.927 N/A LEU 224.A N VAL 220.A O no hydrogen 3.103 N/A SER 228.A N GLY 225.A O no hydrogen 3.284 N/A SER 228.A OG TYR 223.A O no hydrogen 2.790 N/A SER 228.A OG LEU 224.A O no hydrogen 2.927 N/A SER 228.A OG GLY 225.A O no hydrogen 3.030 N/A THR 229.A N PRO 226.A O no hydrogen 3.162 N/A THR 229.A OG1 ASP 142.A OD1 no hydrogen 2.814 N/A THR 229.A OG1 ASP 142.A OD2 no hydrogen 3.227 N/A THR 229.A OG1 PRO 226.A O no hydrogen 3.132 N/A ILE 231.A N SER 228.A O no hydrogen 3.060 N/A ASN 232.A ND2 ALA 188.A O no hydrogen 3.391 N/A GLY 233.A N ALA 188.A O no hydrogen 2.674 N/A GLN 234.A N ASN 189.A OD1 no hydrogen 2.904 N/A GLN 234.A NE2 ASN 232.A O no hydrogen 2.858 N/A LEU 236.A N SER 190.A O no hydrogen 2.896 N/A ALA 238.A N ASN 192.A O no hydrogen 2.903 N/A GLN 239.A NE2 PRO 193.A O no hydrogen 2.851 N/A GLN 239.A NE2 ALA 195.A O no hydrogen 2.792 N/A