Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jq8_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD1 no hydrogen 2.823 N/A ALA 5.A N ARG 28.A O no hydrogen 2.662 N/A VAL 6.A N VAL 88.A O no hydrogen 2.771 N/A VAL 7.A N VAL 30.A O no hydrogen 3.094 N/A THR 8.A N VAL 90.A O no hydrogen 3.104 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.006 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.989 N/A ALA 10.A N HIS 32.A O no hydrogen 2.830 N/A ARG 13.A NH1 LEU 188.A O no hydrogen 2.931 N/A ARG 13.A NH2 LEU 187.A O no hydrogen 2.693 N/A ARG 16.A N LYS 12.A O no hydrogen 3.134 N/A ARG 16.A NH2 GLU 46.A OE2 no hydrogen 3.361 N/A ALA 17.A N ARG 13.A O no hydrogen 3.112 N/A ILE 18.A N ILE 14.A O no hydrogen 2.961 N/A ALA 19.A N GLY 15.A O no hydrogen 3.001 N/A VAL 20.A N ARG 16.A O no hydrogen 2.821 N/A LYS 21.A N ALA 17.A O no hydrogen 3.044 N/A LYS 21.A NZ ASP 218.A OD1 no hydrogen 2.768 N/A LEU 22.A N ILE 18.A O no hydrogen 2.993 N/A HIS 23.A N ALA 19.A O no hydrogen 2.958 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.711 N/A GLN 24.A N VAL 20.A O no hydrogen 2.838 N/A THR 25.A N LYS 21.A O no hydrogen 3.003 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.753 N/A GLY 26.A N HIS 23.A O no hydrogen 3.049 N/A TYR 27.A N LEU 22.A O no hydrogen 2.846 N/A ARG 28.A N PRO 3.A O no hydrogen 2.812 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.291 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.893 N/A VAL 29.A N THR 54.A O no hydrogen 2.902 N/A VAL 30.A N ALA 5.A O no hydrogen 2.786 N/A ILE 31.A N VAL 56.A O no hydrogen 2.778 N/A HIS 32.A N VAL 7.A O no hydrogen 3.092 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.784 N/A TYR 33.A N CYS 58.A O no hydrogen 3.143 N/A ALA 37.A N ASN 35.A O no hydrogen 2.624 N/A ALA 40.A N SER 36.A O no hydrogen 3.282 N/A VAL 41.A N ALA 37.A O no hydrogen 3.071 N/A SER 42.A N GLU 38.A O no hydrogen 2.846 N/A LEU 43.A N ALA 39.A O no hydrogen 2.993 N/A ALA 44.A N ALA 40.A O no hydrogen 2.846 N/A ASP 45.A N VAL 41.A O no hydrogen 2.825 N/A GLU 46.A N SER 42.A O no hydrogen 3.335 N/A LEU 47.A N LEU 43.A O no hydrogen 2.997 N/A ASN 48.A N ALA 44.A O no hydrogen 2.913 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 3.000 N/A LYS 49.A N ASP 45.A O no hydrogen 2.881 N/A ARG 51.A N LEU 47.A O no hydrogen 3.115 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 2.890 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.036 N/A THR 54.A N ASN 48.A OD1 no hydrogen 3.144 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.711 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.605 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 3.065 N/A VAL 56.A N VAL 29.A O no hydrogen 3.204 N/A CYS 58.A N ILE 31.A O no hydrogen 2.960 N/A CYS 58.A SG SER 78.A OG.B no hydrogen 3.774 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 3.231 N/A ALA 60.A N TYR 33.A O no hydrogen 3.108 N/A THR 63.A N ASP 61.A OD1 no hydrogen 2.808 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.537 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.508 N/A ASN 64.A N ALA 111.A O no hydrogen 2.805 N/A VAL 67.A N.A SER 65.A OG no hydrogen 3.199 N/A VAL 67.A N.B SER 65.A OG no hydrogen 3.190 N/A LEU 68.A N SER 65.A O no hydrogen 3.341 N/A LEU 68.A N SER 65.A OG no hydrogen 3.223 N/A SER 71.A N VAL 67.A O.A no hydrogen 2.970 N/A SER 71.A N VAL 67.A O.B no hydrogen 2.991 N/A SER 71.A OG VAL 67.A O.A no hydrogen 3.349 N/A SER 71.A OG VAL 67.A O.B no hydrogen 3.431 N/A CYS 72.A N LEU 68.A O no hydrogen 2.900 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.367 N/A CYS 72.A SG ALA 120.A O no hydrogen 3.787 N/A GLU 73.A N.A PRO 69.A O no hydrogen 3.132 N/A GLU 73.A N.B PRO 69.A O no hydrogen 3.130 N/A GLU 74.A N ALA 70.A O no hydrogen 2.987 N/A ILE 75.A N SER 71.A O no hydrogen 3.165 N/A ILE 76.A N CYS 72.A O no hydrogen 3.285 N/A ASN 77.A N GLU 73.A O.A no hydrogen 2.775 N/A ASN 77.A N GLU 73.A O.B no hydrogen 2.765 N/A SER 78.A N GLU 74.A O no hydrogen 2.840 N/A SER 78.A OG.B GLU 74.A O no hydrogen 2.616 N/A SER 78.A OG.B GLU 74.A OE2 no hydrogen 2.727 N/A CYS 79.A N ILE 76.A O no hydrogen 3.049 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.318 N/A PHE 80.A N ILE 76.A O no hydrogen 3.359 N/A ARG 81.A N ASN 77.A O no hydrogen 2.824 N/A ARG 81.A NH1 GLU 74.A OE2 no hydrogen 2.624 N/A ARG 81.A NH2 GLU 74.A OE2 no hydrogen 3.189 N/A ALA 82.A N SER 78.A O no hydrogen 3.220 N/A PHE 83.A N CYS 79.A O no hydrogen 2.919 N/A GLY 84.A N PHE 80.A O no hydrogen 2.843 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.686 N/A ARG 85.A NH2 ASP 87.A OD1 no hydrogen 3.388 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 3.014 N/A CYS 86.A SG VAL 88.A O no hydrogen 4.026 N/A ASP 87.A N ALA 4.A O no hydrogen 2.783 N/A VAL 88.A N ALA 4.A O no hydrogen 3.152 N/A LEU 89.A N SER 135.A O no hydrogen 3.277 N/A VAL 90.A N VAL 6.A O no hydrogen 2.759 N/A ASN 91.A N VAL 137.A O no hydrogen 2.906 N/A ASN 91.A ND2 ASN 138.A OD1 no hydrogen 2.687 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.753 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.461 N/A ASN 92.A ND2 GLY 9.A O no hydrogen 3.309 N/A ALA 93.A N THR 8.A OG1 no hydrogen 3.237 N/A SER 94.A OG ALA 95.A O no hydrogen 3.473 N/A SER 94.A OG ASN 117.A OD1 no hydrogen 2.571 N/A ALA 95.A N THR 116.A OG1 no hydrogen 3.010 N/A TYR 97.A OH GLU 112.A OE1 no hydrogen 2.689 N/A THR 99.A N ALA 149.A O no hydrogen 2.829 N/A LYS 104.A NZ GLU 112.A OE1 no hydrogen 2.775 N/A THR 105.A OG1 THR 108.A OG1 no hydrogen 3.047 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.902 N/A THR 108.A N THR 105.A OG1 no hydrogen 3.368 N/A THR 108.A OG1 THR 105.A OG1 no hydrogen 3.047 N/A GLN 109.A N THR 105.A O no hydrogen 3.015 N/A VAL 110.A N VAL 106.A O no hydrogen 2.818 N/A ALA 111.A N GLU 107.A O no hydrogen 2.966 N/A GLU 112.A N THR 108.A O no hydrogen 2.891 N/A LEU 113.A N GLN 109.A O no hydrogen 3.041 N/A ILE 114.A N VAL 110.A O no hydrogen 3.011 N/A THR 116.A N GLU 112.A O no hydrogen 2.918 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.640 N/A ASN 117.A ND2 ALA 95.A O no hydrogen 3.091 N/A ASN 117.A ND2 LEU 113.A O no hydrogen 2.903 N/A ALA 118.A N ILE 114.A O no hydrogen 3.023 N/A ILE 119.A N ILE 114.A O no hydrogen 2.972 N/A ALA 120.A N GLY 115.A O no hydrogen 2.747 N/A PHE 122.A N ALA 118.A O no hydrogen 3.006 N/A LEU 123.A N ILE 119.A O no hydrogen 2.832 N/A LEU 124.A N ALA 120.A O no hydrogen 2.798 N/A THR 125.A N PRO 121.A O no hydrogen 2.940 N/A THR 125.A OG1 PRO 121.A O no hydrogen 2.704 N/A MET 126.A N PHE 122.A O no hydrogen 2.994 N/A SER 127.A N LEU 123.A O no hydrogen 3.002 N/A SER 127.A OG GLU 73.A OE2.B no hydrogen 2.871 N/A SER 127.A OG LEU 123.A O no hydrogen 3.100 N/A PHE 128.A N LEU 124.A O no hydrogen 2.760 N/A ALA 129.A N THR 125.A O no hydrogen 2.997 N/A GLN 130.A N MET 126.A O no hydrogen 2.948 N/A ARG 131.A N SER 127.A O no hydrogen 3.112 N/A ARG 131.A NE ASN 77.A OD1 no hydrogen 2.665 N/A ARG 131.A NH2 ASN 77.A OD1 no hydrogen 2.887 N/A GLN 132.A NE2 CYS 86.A O no hydrogen 3.220 N/A GLN 132.A NE2 PHE 128.A O no hydrogen 2.797 N/A ASN 133.A ND2 VAL 224.A O no hydrogen 2.676 N/A SER 135.A N ASP 87.A O no hydrogen 3.278 N/A ILE 136.A N ARG 177.A O no hydrogen 2.616 N/A VAL 137.A N LEU 89.A O no hydrogen 2.897 N/A ASN 138.A N ASN 179.A O no hydrogen 2.800 N/A ASN 138.A ND2 THR 164.A OG1 no hydrogen 2.922 N/A LEU 139.A N ASN 91.A O no hydrogen 2.943 N/A CYS 140.A N VAL 181.A O no hydrogen 2.815 N/A CYS 140.A SG ASN 138.A O no hydrogen 3.540 N/A ALA 142.A N PRO 183.A O no hydrogen 3.064 N/A MET 143.A N ASP 141.A OD1 no hydrogen 3.019 N/A VAL 144.A N ASP 141.A O no hydrogen 3.261 N/A GLN 146.A N MET 143.A O no hydrogen 2.927 N/A SER 151.A OG.A THR 99.A O no hydrogen 3.407 N/A LEU 152.A N THR 99.A OG1 no hydrogen 3.361 N/A TYR 153.A OH ASP 141.A OD2 no hydrogen 2.570 N/A ASN 154.A N PHE 150.A O no hydrogen 2.870 N/A ASN 154.A ND2 VAL 144.A O no hydrogen 3.175 N/A MET 155.A N SER 151.A O no hydrogen 2.742 N/A GLY 156.A N LEU 152.A O no hydrogen 2.895 N/A LYS 157.A N TYR 153.A O no hydrogen 2.957 N/A LYS 157.A NZ ASN 117.A OD1 no hydrogen 2.873 N/A LYS 157.A NZ LEU 139.A O no hydrogen 2.905 N/A HIS 158.A N ASN 154.A O no hydrogen 2.845 N/A HIS 158.A NE2 VAL 144.A O no hydrogen 2.922 N/A ALA 159.A N MET 155.A O no hydrogen 2.941 N/A LEU 160.A N GLY 156.A O no hydrogen 2.967 N/A VAL 161.A N LYS 157.A O no hydrogen 3.218 N/A GLY 162.A N HIS 158.A O no hydrogen 3.136 N/A LEU 163.A N ALA 159.A O no hydrogen 2.837 N/A THR 164.A N LEU 160.A O no hydrogen 2.885 N/A THR 164.A OG1 LEU 160.A O no hydrogen 2.520 N/A GLN 165.A N VAL 161.A O no hydrogen 3.049 N/A SER 166.A N GLY 162.A O no hydrogen 2.864 N/A SER 166.A OG GLY 162.A O no hydrogen 2.996 N/A ALA 167.A N LEU 163.A O no hydrogen 2.771 N/A ALA 168.A N THR 164.A O no hydrogen 3.231 N/A LEU 169.A N GLN 165.A O no hydrogen 3.147 N/A GLU 170.A N SER 166.A O no hydrogen 3.069 N/A LEU 171.A N ALA 167.A O no hydrogen 2.781 N/A TYR 174.A N LEU 171.A O no hydrogen 3.322 N/A GLY 175.A N ALA 172.A O no hydrogen 2.984 N/A ILE 176.A N LEU 171.A O no hydrogen 3.051 N/A ARG 177.A N LEU 134.A O no hydrogen 3.067 N/A ARG 177.A NH1 LEU 223.A O no hydrogen 2.675 N/A ARG 177.A NH1 ILE 231.A O no hydrogen 3.169 N/A ARG 177.A NH2 ASN 133.A OD1 no hydrogen 3.207 N/A ARG 177.A NH2 LEU 223.A O no hydrogen 2.769 N/A VAL 178.A N THR 232.A OG1 no hydrogen 2.796 N/A ASN 179.A N ILE 136.A O no hydrogen 2.833 N/A ASN 179.A ND2 ILE 231.A O no hydrogen 2.835 N/A GLY 180.A N SER 234.A O no hydrogen 2.762 N/A VAL 181.A N ASN 138.A O no hydrogen 2.970 N/A ALA 182.A N ILE 236.A O no hydrogen 2.825 N/A GLY 184.A N VAL 238.A O no hydrogen 3.353 N/A SER 186.A OG ALA 211.A O no hydrogen 2.730 N/A MET 192.A N PRO 189.A O no hydrogen 3.321 N/A LYS 197.A N GLY 193.A O no hydrogen 3.172 N/A ASP 198.A N GLU 194.A O no hydrogen 3.130 N/A LYS 199.A N GLU 195.A O no hydrogen 3.402 N/A TRP 200.A N GLU 196.A O no hydrogen 3.303 N/A ARG 201.A N LYS 197.A O no hydrogen 2.899 N/A ARG 201.A NE GLU 210.A OE1 no hydrogen 3.440 N/A ARG 201.A NE GLU 210.A OE2 no hydrogen 3.072 N/A ARG 201.A NH1 GLU 194.A OE2 no hydrogen 2.928 N/A ARG 201.A NH1 ASP 198.A OD1 no hydrogen 3.135 N/A ARG 201.A NH2 GLU 210.A OE1 no hydrogen 2.959 N/A ARG 202.A N ASP 198.A O no hydrogen 2.889 N/A LYS 203.A N TRP 200.A O no hydrogen 3.419 N/A VAL 204.A N ARG 201.A O no hydrogen 3.211 N/A LEU 206.A N GLY 240.A O no hydrogen 3.235 N/A GLY 207.A N PRO 205.A O no hydrogen 3.182 N/A ARG 208.A N VAL 204.A O no hydrogen 3.109 N/A ARG 208.A NH2 ARG 202.A O no hydrogen 2.581 N/A GLU 210.A N GLU 210.A OE2 no hydrogen 2.706 N/A ALA 211.A N VAL 185.A O no hydrogen 3.032 N/A SER 212.A N GLN 215.A OE1 no hydrogen 3.237 N/A SER 212.A OG GLN 215.A OE1 no hydrogen 3.506 N/A GLN 215.A N SER 212.A OG no hydrogen 3.214 N/A ILE 216.A N SER 212.A O no hydrogen 3.411 N/A ALA 217.A N ALA 213.A O no hydrogen 3.053 N/A ASP 218.A N GLU 214.A O.A no hydrogen 2.932 N/A ASP 218.A N GLU 214.A O.B no hydrogen 2.808 N/A ALA 219.A N ILE 216.A O no hydrogen 3.063 N/A VAL 220.A N ILE 216.A O no hydrogen 3.297 N/A ILE 221.A N ALA 217.A O no hydrogen 2.841 N/A PHE 222.A N ASP 218.A O no hydrogen 3.109 N/A LEU 223.A N ALA 219.A O no hydrogen 3.263 N/A VAL 224.A N VAL 220.A O no hydrogen 3.137 N/A SER 225.A N ILE 221.A O no hydrogen 3.048 N/A SER 225.A N PHE 222.A O no hydrogen 3.135 N/A SER 225.A OG PHE 222.A O no hydrogen 2.631 N/A SER 227.A N SER 225.A OG no hydrogen 3.375 N/A ALA 228.A N SER 225.A O no hydrogen 3.141 N/A ILE 231.A N ALA 228.A O no hydrogen 2.997 N/A THR 232.A OG1 VAL 178.A O no hydrogen 3.488 N/A GLY 233.A N VAL 178.A O no hydrogen 2.613 N/A SER 234.A N ASN 179.A OD1 no hydrogen 3.021 N/A ILE 236.A N GLY 180.A O no hydrogen 2.866 N/A VAL 238.A N ALA 182.A O no hydrogen 2.895 N/A GLY 241.A N ASP 239.A OD1 no hydrogen 2.753 N/A LEU 242.A N ASP 239.A O no hydrogen 3.070 N/A SER 243.A N ASP 239.A OD2 no hydrogen 2.810 N/A SER 243.A OG ASP 239.A OD2 no hydrogen 2.784 N/A LEU 244.A N GLY 241.A O no hydrogen 3.151 N/A VAL 245.A N LEU 242.A O no hydrogen 3.190 N/A HIS 246.A ND1 ALA 247.A OXT no hydrogen 2.674 N/A