Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jq6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD1 no hydrogen 2.925 N/A ALA 5.A N ARG 28.A O no hydrogen 2.854 N/A VAL 6.A N VAL 88.A O no hydrogen 2.864 N/A VAL 7.A N VAL 30.A O no hydrogen 3.032 N/A THR 8.A N VAL 90.A O no hydrogen 3.037 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.403 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.923 N/A ALA 10.A N HIS 32.A O no hydrogen 2.839 N/A LYS 12.A NZ.A SER 36.A OG no hydrogen 3.349 N/A ARG 13.A NH1 LEU 189.A O.A no hydrogen 2.990 N/A ARG 13.A NH1 LEU 190.A O.B no hydrogen 2.832 N/A ARG 13.A NH2 LEU 189.A O.A no hydrogen 3.319 N/A ARG 13.A NH2 LEU 189.A O.B no hydrogen 2.678 N/A ARG 16.A N LYS 12.A O no hydrogen 3.137 N/A ARG 16.A NH2 GLU 46.A OE1 no hydrogen 3.285 N/A ALA 17.A N ARG 13.A O no hydrogen 3.137 N/A ILE 18.A N ILE 14.A O no hydrogen 2.966 N/A ALA 19.A N GLY 15.A O no hydrogen 2.923 N/A VAL 20.A N ARG 16.A O no hydrogen 2.852 N/A LYS 21.A N ALA 17.A O no hydrogen 2.888 N/A LYS 21.A NZ GLU 216.A OE1 no hydrogen 3.015 N/A LYS 21.A NZ ASP 220.A OD1 no hydrogen 3.167 N/A LEU 22.A N ILE 18.A O no hydrogen 2.852 N/A HIS 23.A N ALA 19.A O no hydrogen 2.865 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.731 N/A GLN 24.A N VAL 20.A O no hydrogen 2.857 N/A THR 25.A N LYS 21.A O no hydrogen 2.960 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.876 N/A GLY 26.A N HIS 23.A O no hydrogen 2.944 N/A TYR 27.A N LEU 22.A O no hydrogen 3.058 N/A ARG 28.A N PRO 3.A O no hydrogen 2.842 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.397 N/A ARG 28.A NH2 GLU 1.A OE1.A no hydrogen 3.252 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.897 N/A VAL 29.A N THR 54.A O no hydrogen 2.824 N/A VAL 30.A N ALA 5.A O no hydrogen 2.850 N/A ILE 31.A N VAL 56.A O no hydrogen 2.848 N/A HIS 32.A N VAL 7.A O no hydrogen 3.083 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.867 N/A TYR 33.A N CYS 58.A O no hydrogen 3.125 N/A ALA 37.A N ASN 35.A O no hydrogen 2.930 N/A ALA 40.A N SER 36.A O no hydrogen 3.026 N/A VAL 41.A N ALA 37.A O no hydrogen 3.010 N/A SER 42.A N GLU 38.A O no hydrogen 2.984 N/A LEU 43.A N ALA 39.A O no hydrogen 2.886 N/A ALA 44.A N ALA 40.A O no hydrogen 2.954 N/A ASP 45.A N VAL 41.A O no hydrogen 2.885 N/A GLU 46.A N SER 42.A O no hydrogen 3.044 N/A LEU 47.A N LEU 43.A O no hydrogen 2.975 N/A ASN 48.A N ALA 44.A O no hydrogen 2.868 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 3.068 N/A LYS 49.A N ASP 45.A O no hydrogen 2.865 N/A GLU 50.A N GLU 46.A O no hydrogen 3.288 N/A ARG 51.A N LEU 47.A O no hydrogen 3.049 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 2.921 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.035 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.962 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.731 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.672 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.974 N/A VAL 56.A N VAL 29.A O no hydrogen 3.035 N/A CYS 58.A N ILE 31.A O no hydrogen 2.950 N/A CYS 58.A SG SER 78.A OG.B no hydrogen 3.342 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 2.896 N/A ALA 60.A N TYR 33.A O no hydrogen 3.030 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.017 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.616 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.536 N/A ASN 64.A N ALA 111.A O no hydrogen 2.907 N/A VAL 67.A N SER 65.A OG no hydrogen 2.966 N/A LEU 68.A N SER 65.A O no hydrogen 3.224 N/A SER 71.A N VAL 67.A O no hydrogen 3.006 N/A SER 71.A OG VAL 67.A O no hydrogen 3.521 N/A CYS 72.A N LEU 68.A O no hydrogen 2.931 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.470 N/A CYS 72.A SG ALA 120.A O no hydrogen 3.917 N/A GLU 73.A N PRO 69.A O no hydrogen 3.016 N/A GLU 74.A N ALA 70.A O no hydrogen 2.957 N/A ILE 75.A N SER 71.A O no hydrogen 3.009 N/A ILE 76.A N CYS 72.A O no hydrogen 3.191 N/A ASN 77.A N GLU 73.A O no hydrogen 2.879 N/A ASN 77.A ND2.A GLU 74.A OE1 no hydrogen 3.238 N/A SER 78.A N GLU 74.A O no hydrogen 2.884 N/A SER 78.A OG.A ILE 75.A O no hydrogen 2.610 N/A SER 78.A OG.B GLU 74.A O no hydrogen 2.922 N/A CYS 79.A N ILE 76.A O no hydrogen 3.024 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.241 N/A PHE 80.A N ILE 76.A O no hydrogen 3.387 N/A ARG 81.A N ASN 77.A O no hydrogen 2.823 N/A ARG 81.A NE ASN 77.A OD1.B no hydrogen 2.912 N/A ALA 82.A N SER 78.A O no hydrogen 3.134 N/A PHE 83.A N CYS 79.A O no hydrogen 2.834 N/A GLY 84.A N PHE 80.A O no hydrogen 2.813 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.800 N/A ARG 85.A NH1 GLU 1.A OE2.A no hydrogen 3.096 N/A ARG 85.A NH2 ASP 87.A OD1 no hydrogen 3.441 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 2.901 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.871 N/A ASP 87.A N ALA 4.A O no hydrogen 2.687 N/A VAL 88.A N ALA 4.A O no hydrogen 3.188 N/A LEU 89.A N SER 136.A O no hydrogen 3.126 N/A VAL 90.A N VAL 6.A O no hydrogen 2.762 N/A ASN 91.A N VAL 138.A O no hydrogen 2.907 N/A ASN 91.A ND2 ASN 139.A OD1 no hydrogen 2.806 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.887 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.174 N/A ASN 92.A ND2 GLY 9.A O no hydrogen 3.008 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.931 N/A SER 94.A OG ALA 95.A O no hydrogen 3.311 N/A SER 94.A OG ASN 117.A OD1 no hydrogen 2.768 N/A ALA 95.A N THR 116.A OG1 no hydrogen 2.973 N/A TYR 97.A OH GLU 112.A OE1 no hydrogen 2.722 N/A THR 99.A N ALA 151.A O no hydrogen 2.800 N/A THR 99.A OG1 THR 99.A O no hydrogen 2.591 N/A LYS 104.A NZ GLU 112.A OE1 no hydrogen 3.085 N/A THR 105.A OG1 THR 108.A OG1 no hydrogen 3.048 N/A GLU 107.A N GLU 107.A OE2 no hydrogen 2.844 N/A THR 108.A N THR 105.A OG1 no hydrogen 3.363 N/A THR 108.A OG1 THR 105.A OG1 no hydrogen 3.048 N/A GLN 109.A N THR 105.A O no hydrogen 3.052 N/A VAL 110.A N VAL 106.A O no hydrogen 2.924 N/A ALA 111.A N GLU 107.A O no hydrogen 2.946 N/A GLU 112.A N THR 108.A O no hydrogen 2.875 N/A LEU 113.A N GLN 109.A O no hydrogen 2.969 N/A ILE 114.A N VAL 110.A O no hydrogen 2.950 N/A GLY 115.A N ALA 111.A O no hydrogen 2.914 N/A THR 116.A N GLU 112.A O no hydrogen 2.953 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.708 N/A ASN 117.A N LEU 113.A O no hydrogen 3.250 N/A ASN 117.A ND2 ALA 95.A O no hydrogen 3.108 N/A ASN 117.A ND2 LEU 113.A O no hydrogen 2.874 N/A ALA 118.A N ILE 114.A O no hydrogen 2.981 N/A ILE 119.A N ILE 114.A O no hydrogen 2.982 N/A ALA 120.A N GLY 115.A O no hydrogen 2.825 N/A PHE 122.A N ALA 118.A O no hydrogen 3.040 N/A LEU 123.A N ILE 119.A O no hydrogen 2.931 N/A LEU 124.A N ALA 120.A O no hydrogen 2.855 N/A THR 125.A N PRO 121.A O no hydrogen 2.935 N/A THR 125.A OG1 PRO 121.A O no hydrogen 2.703 N/A MET 126.A N PHE 122.A O no hydrogen 2.896 N/A SER 127.A N LEU 123.A O no hydrogen 2.853 N/A SER 127.A OG LEU 123.A O no hydrogen 3.390 N/A PHE 128.A N LEU 124.A O no hydrogen 2.866 N/A ALA 129.A N THR 125.A O no hydrogen 2.928 N/A GLN 130.A N MET 126.A O no hydrogen 3.004 N/A ARG 131.A N SER 127.A O no hydrogen 3.165 N/A ARG 131.A NE.A ASN 77.A OD1.A no hydrogen 2.918 N/A ARG 131.A NH2.A ASN 77.A OD1.A no hydrogen 2.373 N/A GLN 132.A N ALA 129.A O no hydrogen 3.121 N/A GLN 132.A NE2 CYS 86.A O no hydrogen 2.912 N/A GLN 132.A NE2 PHE 128.A O no hydrogen 3.164 N/A ASN 134.A ND2 VAL 226.A O no hydrogen 2.727 N/A SER 136.A N ASP 87.A O no hydrogen 3.018 N/A ILE 137.A N ARG 179.A O no hydrogen 2.848 N/A VAL 138.A N LEU 89.A O no hydrogen 2.937 N/A ASN 139.A N ASN 181.A O no hydrogen 2.819 N/A ASN 139.A ND2 THR 166.A OG1 no hydrogen 2.883 N/A LEU 140.A N ASN 91.A O no hydrogen 2.924 N/A CYS 141.A N VAL 183.A O no hydrogen 2.681 N/A CYS 141.A SG ASN 139.A O no hydrogen 3.610 N/A ALA 143.A N PRO 185.A O no hydrogen 2.954 N/A MET 144.A N ASP 142.A OD1 no hydrogen 2.808 N/A VAL 145.A N ASP 142.A O no hydrogen 3.280 N/A GLN 147.A N MET 144.A O no hydrogen 2.974 N/A PHE 152.A N CYS 149.A O no hydrogen 3.367 N/A LEU 154.A N THR 99.A OG1 no hydrogen 3.355 N/A TYR 155.A OH ASP 142.A OD2 no hydrogen 2.576 N/A ASN 156.A N PHE 152.A O no hydrogen 2.855 N/A ASN 156.A ND2 VAL 145.A O no hydrogen 3.040 N/A MET 157.A N SER 153.A O no hydrogen 2.798 N/A GLY 158.A N LEU 154.A O no hydrogen 3.003 N/A LYS 159.A N TYR 155.A O no hydrogen 3.058 N/A LYS 159.A NZ ASN 117.A OD1 no hydrogen 3.104 N/A LYS 159.A NZ LEU 140.A O no hydrogen 2.820 N/A HIS 160.A N ASN 156.A O no hydrogen 2.863 N/A HIS 160.A NE2 VAL 145.A O no hydrogen 3.074 N/A ALA 161.A N MET 157.A O no hydrogen 2.877 N/A LEU 162.A N GLY 158.A O no hydrogen 2.923 N/A VAL 163.A N LYS 159.A O no hydrogen 3.094 N/A GLY 164.A N HIS 160.A O no hydrogen 3.176 N/A LEU 165.A N ALA 161.A O no hydrogen 2.862 N/A THR 166.A N LEU 162.A O no hydrogen 2.917 N/A THR 166.A OG1 LEU 162.A O no hydrogen 2.737 N/A GLN 167.A N VAL 163.A O no hydrogen 2.974 N/A SER 168.A N GLY 164.A O no hydrogen 2.790 N/A SER 168.A OG GLY 164.A O no hydrogen 3.315 N/A ALA 169.A N LEU 165.A O no hydrogen 2.745 N/A ALA 170.A N THR 166.A O no hydrogen 2.971 N/A LEU 171.A N GLN 167.A O no hydrogen 3.100 N/A GLU 172.A N SER 168.A O no hydrogen 3.066 N/A LEU 173.A N ALA 169.A O no hydrogen 2.937 N/A ALA 174.A N ALA 170.A O no hydrogen 3.182 N/A TYR 176.A N LEU 173.A O no hydrogen 2.910 N/A GLY 177.A N ALA 174.A O no hydrogen 3.028 N/A ILE 178.A N LEU 173.A O no hydrogen 3.268 N/A ARG 179.A N LEU 135.A O no hydrogen 3.239 N/A ARG 179.A NH1 LEU 225.A O no hydrogen 2.892 N/A ARG 179.A NH1 ILE 233.A O no hydrogen 3.138 N/A ARG 179.A NH2 ASN 134.A OD1 no hydrogen 3.225 N/A ARG 179.A NH2 LEU 225.A O no hydrogen 2.786 N/A VAL 180.A N THR 234.A OG1 no hydrogen 2.941 N/A ASN 181.A N ILE 137.A O no hydrogen 2.937 N/A ASN 181.A ND2 ILE 233.A O no hydrogen 3.002 N/A GLY 182.A N SER 236.A O no hydrogen 2.879 N/A VAL 183.A N ASN 139.A O no hydrogen 2.917 N/A ALA 184.A N ILE 238.A O no hydrogen 2.859 N/A GLY 186.A N VAL 240.A O no hydrogen 3.303 N/A SER 188.A OG.B ALA 213.A O no hydrogen 3.107 N/A LEU 189.A N.A ALA 213.A O no hydrogen 2.946 N/A LEU 190.A N.A GLU 212.A OE1 no hydrogen 3.402 N/A MET 194.A N.A PRO 191.A O.A no hydrogen 3.225 N/A MET 194.A N.A PRO 191.A O.B no hydrogen 2.425 N/A GLY 195.A N.B GLU 198.A OE2.A no hydrogen 2.365 N/A LYS 199.A N GLY 195.A O.A no hydrogen 3.014 N/A LYS 199.A NZ GLU 196.A OE1.A no hydrogen 3.505 N/A LYS 199.A NZ GLU 196.A OE1.B no hydrogen 2.743 N/A ASP 200.A N GLU 196.A O.A no hydrogen 3.390 N/A LYS 201.A N GLU 197.A O.A no hydrogen 2.966 N/A TRP 202.A N GLU 198.A O.A no hydrogen 3.167 N/A TRP 202.A N GLU 198.A O.B no hydrogen 3.177 N/A ARG 203.A N LYS 199.A O no hydrogen 2.922 N/A ARG 203.A NE GLU 212.A OE2 no hydrogen 2.879 N/A ARG 203.A NH2 GLU 212.A OE1 no hydrogen 3.188 N/A ARG 204.A N ASP 200.A O no hydrogen 2.910 N/A ARG 204.A NH1 ASP 200.A OD2 no hydrogen 3.131 N/A LYS 205.A N TRP 202.A O no hydrogen 3.212 N/A VAL 206.A N ARG 203.A O no hydrogen 3.166 N/A LEU 208.A N GLY 242.A O no hydrogen 3.152 N/A GLY 209.A N PRO 207.A O no hydrogen 3.156 N/A ARG 210.A N VAL 206.A O no hydrogen 3.085 N/A ARG 210.A NH1 ARG 204.A O no hydrogen 2.609 N/A ARG 211.A NH1 GLY 209.A O no hydrogen 2.809 N/A GLU 212.A N GLU 212.A OE2 no hydrogen 2.732 N/A ALA 213.A N VAL 187.A O.A no hydrogen 2.999 N/A ALA 213.A N VAL 187.A O.B no hydrogen 2.876 N/A SER 214.A N GLN 217.A OE1 no hydrogen 3.032 N/A GLN 217.A N SER 214.A OG no hydrogen 3.213 N/A ILE 218.A N SER 214.A O no hydrogen 3.345 N/A ALA 219.A N ALA 215.A O no hydrogen 2.854 N/A ASP 220.A N GLU 216.A O no hydrogen 2.815 N/A ALA 221.A N ILE 218.A O no hydrogen 3.172 N/A VAL 222.A N ILE 218.A O no hydrogen 3.417 N/A ILE 223.A N ALA 219.A O no hydrogen 2.894 N/A PHE 224.A N ASP 220.A O no hydrogen 3.043 N/A LEU 225.A N ALA 221.A O no hydrogen 3.136 N/A VAL 226.A N VAL 222.A O no hydrogen 3.035 N/A SER 227.A N PHE 224.A O no hydrogen 3.034 N/A SER 227.A OG PHE 224.A O no hydrogen 2.734 N/A SER 229.A N SER 227.A OG no hydrogen 3.033 N/A ALA 230.A N SER 227.A O no hydrogen 3.150 N/A GLN 231.A NE2.B ASN 134.A OD1 no hydrogen 2.732 N/A GLN 231.A NE2.B SER 227.A O no hydrogen 3.388 N/A ILE 233.A N ALA 230.A O no hydrogen 2.919 N/A THR 234.A OG1 VAL 180.A O no hydrogen 3.531 N/A GLY 235.A N VAL 180.A O no hydrogen 2.728 N/A SER 236.A N ASN 181.A OD1 no hydrogen 2.982 N/A ILE 238.A N GLY 182.A O no hydrogen 2.938 N/A LYS 239.A NZ SER 245.A OG no hydrogen 3.276 N/A VAL 240.A N ALA 184.A O no hydrogen 2.889 N/A GLY 243.A N ASP 241.A OD1 no hydrogen 2.809 N/A LEU 244.A N ASP 241.A O no hydrogen 3.016 N/A SER 245.A N ASP 241.A OD2 no hydrogen 2.924 N/A SER 245.A OG ASP 241.A OD2 no hydrogen 2.678 N/A LEU 246.A N GLY 243.A O no hydrogen 3.057 N/A VAL 247.A N LEU 244.A O no hydrogen 3.203 N/A HIS 248.A ND1 ALA 249.A OXT no hydrogen 2.621 N/A