Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jqq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N ALA 108.A O no hydrogen 3.020 N/A TYR 6.A OH LEU 41.A O no hydrogen 3.161 N/A THR 7.A N ASN 10.A OD1 no hydrogen 3.169 N/A THR 7.A OG1 ASN 10.A OD1 no hydrogen 3.116 N/A ASN 10.A N THR 7.A O no hydrogen 3.185 N/A ASN 10.A N THR 7.A OG1 no hydrogen 3.355 N/A LEU 12.A N LEU 105.A O no hydrogen 2.892 N/A CYS 14.A N ILE 103.A O no hydrogen 2.725 N/A CYS 14.A SG LEU 12.A O no hydrogen 3.696 N/A LYS 15.A N ASN 37.A O no hydrogen 2.911 N/A LYS 15.A NZ ASN 100.A O no hydrogen 3.262 N/A LYS 15.A NZ ASP 102.A OD1 no hydrogen 2.561 N/A ILE 16.A N ASP 101.A O no hydrogen 3.183 N/A VAL 17.A N GLU 35.A O no hydrogen 2.704 N/A ASP 18.A N GLU 35.A O no hydrogen 3.404 N/A LYS 19.A N ASP 18.A OD1 no hydrogen 2.789 N/A LYS 19.A NZ ILE 94.A O no hydrogen 2.872 N/A LYS 19.A NZ LYS 95.A O no hydrogen 2.737 N/A LYS 19.A NZ LEU 97.A O no hydrogen 3.022 N/A ILE 20.A N HIS 33.A O no hydrogen 2.898 N/A LEU 22.A N VAL 31.A O no hydrogen 2.733 N/A VAL 23.A N ASN 21.A OD1 no hydrogen 3.010 N/A ARG 24.A N ASP 173.A O no hydrogen 2.988 N/A ARG 24.A NH1 ILE 175.A O no hydrogen 3.534 N/A ARG 24.A NH2 GLU 172.A O no hydrogen 2.687 N/A ARG 24.A NH2 ILE 175.A O no hydrogen 2.844 N/A ASN 26.A N ASP 173.A OD2 no hydrogen 2.798 N/A SER 27.A N ARG 24.A O no hydrogen 2.886 N/A SER 27.A OG SER 174.A OG no hydrogen 2.865 N/A ASN 29.A N SER 27.A OG no hydrogen 2.947 N/A TYR 32.A N ILE 79.A O no hydrogen 3.044 N/A TYR 32.A OH GLU 30.A OE2 no hydrogen 2.536 N/A HIS 33.A N ILE 20.A O no hydrogen 2.776 N/A HIS 33.A ND1 TYR 177.A OH no hydrogen 2.909 N/A LEU 34.A N VAL 77.A O no hydrogen 2.958 N/A GLU 35.A N ASP 18.A O no hydrogen 3.018 N/A ILE 36.A N LEU 75.A O no hydrogen 2.613 N/A ASN 37.A N LYS 15.A O no hydrogen 2.718 N/A ASN 39.A N ASN 37.A OD1 no hydrogen 2.819 N/A LEU 41.A N HIS 38.A O no hydrogen 2.966 N/A PHE 42.A N HIS 38.A ND1 no hydrogen 3.019 N/A LEU 45.A N HIS 48.A ND1 no hydrogen 2.827 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.564 N/A HIS 48.A N LEU 45.A O no hydrogen 2.994 N/A THR 49.A N HIS 109.A O no hydrogen 3.084 N/A THR 49.A OG1 HIS 109.A O no hydrogen 3.232 N/A CYS 50.A N TYR 64.A O no hydrogen 2.774 N/A CYS 50.A SG TYR 64.A O no hydrogen 3.785 N/A ILE 52.A N ARG 62.A O no hydrogen 2.888 N/A ILE 53.A N TYR 104.A O no hydrogen 3.086 N/A TYR 56.A N ILE 53.A O no hydrogen 3.341 N/A ARG 59.A NH1 TYR 56.A OH no hydrogen 3.451 N/A CYS 60.A SG GLN 58.A O no hydrogen 3.300 N/A ARG 62.A N ILE 52.A O no hydrogen 3.011 N/A TYR 64.A N CYS 50.A O no hydrogen 2.741 N/A ILE 66.A N HIS 48.A O no hydrogen 3.195 N/A SER 67.A N SER 76.A O no hydrogen 2.731 N/A SER 67.A OG SER 76.A OG no hydrogen 2.675 N/A SER 67.A OG TYR 177.A OH no hydrogen 2.748 N/A SER 68.A OG TYR 44.A OH no hydrogen 2.882 N/A SER 69.A OG ASN 71.A OD1 no hydrogen 2.632 N/A ASN 70.A N GLU 46.A OE2 no hydrogen 2.677 N/A MET 72.A N SER 69.A O no hydrogen 3.020 N/A ASN 74.A ND2 GLU 35.A OE2 no hydrogen 3.051 N/A LEU 75.A N ILE 36.A O no hydrogen 2.941 N/A SER 76.A N SER 68.A OG no hydrogen 3.214 N/A SER 76.A OG SER 67.A OG no hydrogen 2.675 N/A VAL 77.A N LEU 34.A O no hydrogen 3.226 N/A ILE 79.A N TYR 32.A O no hydrogen 2.874 N/A LYS 80.A NZ ASN 29.A OD1 no hydrogen 3.422 N/A ILE 81.A N GLU 30.A O no hydrogen 2.745 N/A HIS 82.A N SER 91.A OG no hydrogen 2.743 N/A LYS 83.A NZ GLU 30.A OE1 no hydrogen 2.725 N/A TYR 84.A N ASN 86.A O no hydrogen 2.933 N/A THR 85.A OG1 TYR 84.A O no hydrogen 3.442 N/A THR 85.A OG1 ASN 86.A O no hydrogen 3.381 N/A GLY 88.A N HIS 82.A O no hydrogen 2.911 N/A CYS 90.A SG TYR 64.A OH no hydrogen 3.110 N/A GLY 92.A N GLY 88.A O no hydrogen 2.686 N/A PHE 93.A N TYR 89.A O no hydrogen 3.312 N/A ILE 94.A N CYS 90.A O no hydrogen 2.812 N/A LYS 95.A N SER 91.A O no hydrogen 3.045 N/A ASN 96.A N GLY 92.A O no hydrogen 3.312 N/A LEU 97.A N ILE 94.A O no hydrogen 3.357 N/A LYS 98.A N ASP 101.A OD2 no hydrogen 2.806 N/A ASN 100.A N ILE 16.A O no hydrogen 2.705 N/A ASP 101.A N LYS 98.A O no hydrogen 3.064 N/A ILE 103.A N CYS 14.A O no hydrogen 2.825 N/A LEU 105.A N LEU 12.A O no hydrogen 3.006 N/A THR 106.A N GLY 51.A O no hydrogen 2.937 N/A THR 106.A OG1 HIS 109.A NE2 no hydrogen 2.774 N/A GLY 107.A N TYR 6.A O no hydrogen 2.456 N/A HIS 109.A N THR 49.A O no hydrogen 3.053 N/A HIS 109.A NE2 THR 106.A OG1 no hydrogen 2.774 N/A ALA 118.A N PRO 115.A O no hydrogen 3.053 N/A GLN 120.A N GLN 120.A OE1 no hydrogen 2.619 N/A LYS 121.A N ASP 117.A O no hydrogen 2.900 N/A THR 123.A N ALA 118.A O no hydrogen 3.243 N/A ASN 124.A ND2 TYR 226.A O no hydrogen 2.834 N/A PHE 125.A N TYR 162.A O no hydrogen 3.006 N/A ILE 126.A N GLU 229.A O no hydrogen 3.117 N/A PHE 127.A N THR 164.A O no hydrogen 2.783 N/A ILE 128.A N TYR 231.A O no hydrogen 3.024 N/A ALA 129.A N TYR 166.A O no hydrogen 2.781 N/A THR 130.A N CYS 233.A O no hydrogen 3.183 N/A GLY 131.A N GLY 168.A O no hydrogen 3.193 N/A THR 132.A OG1 TYR 261.A OH no hydrogen 2.776 N/A GLY 133.A N THR 130.A O no hydrogen 2.796 N/A SER 135.A N THR 132.A O no hydrogen 3.060 N/A TYR 137.A OH ILE 128.A O no hydrogen 2.631 N/A ILE 138.A N ILE 134.A O no hydrogen 2.995 N/A SER 139.A N SER 135.A O no hydrogen 3.076 N/A SER 139.A OG PRO 136.A O no hydrogen 2.529 N/A PHE 140.A N PRO 136.A O no hydrogen 2.833 N/A LEU 141.A N TYR 137.A O no hydrogen 2.867 N/A LYS 142.A N ILE 138.A O no hydrogen 2.945 N/A LYS 142.A NZ SER 67.A O no hydrogen 2.731 N/A LYS 143.A N SER 139.A O no hydrogen 3.250 N/A LEU 144.A N PHE 140.A O no hydrogen 2.907 N/A PHE 145.A N LEU 141.A O no hydrogen 2.859 N/A ALA 146.A N LYS 143.A O no hydrogen 3.199 N/A TYR 147.A N LYS 142.A O no hydrogen 2.984 N/A ASN 150.A N ASP 148.A OD1 no hydrogen 3.012 N/A ASN 151.A N ASP 148.A O no hydrogen 3.060 N/A ASN 151.A ND2 ASP 148.A OD2 no hydrogen 2.622 N/A SER 157.A OG LEU 144.A O no hydrogen 3.403 N/A SER 157.A OG TYR 159.A O no hydrogen 3.531 N/A TYR 159.A N SER 157.A OG no hydrogen 3.153 N/A TYR 159.A OH THR 123.A O no hydrogen 2.775 N/A TYR 162.A N ASN 124.A OD1 no hydrogen 2.870 N/A ILE 163.A N ASN 191.A O no hydrogen 2.733 N/A THR 164.A N PHE 125.A O no hydrogen 2.865 N/A ILE 165.A N ASN 193.A O no hydrogen 2.831 N/A TYR 166.A N PHE 127.A O no hydrogen 2.744 N/A TYR 167.A N HIS 195.A O no hydrogen 3.019 N/A TYR 167.A OH GLY 131.A O no hydrogen 2.828 N/A GLY 168.A N ALA 129.A O no hydrogen 2.898 N/A VAL 169.A N VAL 197.A O no hydrogen 3.201 N/A ASN 171.A ND2 ASN 26.A O no hydrogen 2.852 N/A SER 174.A N ASN 171.A O no hydrogen 2.911 N/A SER 174.A OG SER 27.A OG no hydrogen 2.865 N/A SER 174.A OG ASN 171.A OD1 no hydrogen 2.727 N/A ILE 175.A N GLU 172.A O no hydrogen 3.313 N/A LEU 176.A N TYR 167.A OH no hydrogen 3.322 N/A TYR 177.A OH HIS 33.A ND1 no hydrogen 2.909 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.593 N/A LEU 181.A N TYR 177.A O no hydrogen 2.870 N/A GLU 182.A N LEU 178.A O no hydrogen 2.789 N/A TYR 183.A N ASN 179.A O no hydrogen 2.959 N/A TYR 183.A OH LEU 152.A O no hydrogen 2.620 N/A PHE 184.A N GLU 180.A O no hydrogen 2.860 N/A GLN 185.A N LEU 181.A O no hydrogen 3.118 N/A GLN 185.A NE2 LEU 181.A O no hydrogen 3.362 N/A LYS 186.A N GLU 182.A O no hydrogen 3.086 N/A LYS 186.A N TYR 183.A O no hydrogen 2.954 N/A MET 187.A N TYR 183.A O no hydrogen 2.850 N/A TYR 188.A N PHE 184.A O no hydrogen 2.846 N/A ASN 191.A N TYR 188.A O no hydrogen 3.140 N/A ASN 191.A ND2 GLY 161.A O no hydrogen 2.798 N/A ASN 193.A N ILE 163.A O no hydrogen 2.932 N/A HIS 195.A N ILE 165.A O no hydrogen 2.913 N/A VAL 197.A N TYR 167.A O no hydrogen 2.788 N/A SER 199.A N VAL 169.A O no hydrogen 3.091 N/A TYR 200.A N TYR 170.A O no hydrogen 3.123 N/A LYS 201.A NZ TYR 200.A OH no hydrogen 3.342 N/A GLN 202.A N SER 199.A O no hydrogen 3.236 N/A TYR 207.A N ASP 210.A OD2 no hydrogen 2.697 N/A GLU 211.A N TYR 207.A O no hydrogen 3.243 N/A ILE 212.A N VAL 208.A O no hydrogen 3.144 N/A TYR 213.A N GLN 209.A O no hydrogen 2.807 N/A LYS 214.A N ASP 210.A O no hydrogen 2.893 N/A ARG 215.A N GLU 211.A O no hydrogen 3.002 N/A ARG 215.A NE GLU 211.A OE1 no hydrogen 3.148 N/A ARG 215.A NH1 GLU 218.A OE2 no hydrogen 3.334 N/A PHE 219.A N ARG 215.A O no hydrogen 2.748 N/A LEU 220.A N LYS 216.A O no hydrogen 2.827 N/A ASN 221.A N THR 217.A O no hydrogen 2.828 N/A LEU 222.A N GLU 218.A O no hydrogen 3.155 N/A PHE 223.A N PHE 219.A O no hydrogen 3.198 N/A ASN 224.A N LEU 220.A O no hydrogen 2.839 N/A ASN 225.A N ASN 221.A O no hydrogen 2.755 N/A TYR 226.A N LEU 222.A O no hydrogen 3.265 N/A CYS 228.A SG LEU 222.A O no hydrogen 3.163 N/A GLU 229.A N ASN 124.A O no hydrogen 2.943 N/A LEU 230.A N ARG 255.A O no hydrogen 2.654 N/A TYR 231.A N ILE 126.A O no hydrogen 2.914 N/A TYR 231.A OH ASN 113.A O no hydrogen 2.584 N/A ILE 232.A N HIS 257.A O no hydrogen 2.759 N/A CYS 233.A N ILE 128.A O no hydrogen 2.840 N/A CYS 233.A SG GLY 133.A O no hydrogen 3.569 N/A CYS 233.A SG GLU 259.A O no hydrogen 3.647 N/A GLY 234.A N GLU 259.A O no hydrogen 3.249 N/A LYS 235.A N THR 130.A OG1 no hydrogen 2.987 N/A ARG 239.A N LYS 236.A O no hydrogen 3.377 N/A ARG 239.A NE LYS 236.A O no hydrogen 2.960 N/A LYS 241.A NZ ASP 210.A OD1 no hydrogen 2.535 N/A VAL 242.A N ILE 238.A O no hydrogen 3.414 N/A MET 243.A N ARG 239.A O no hydrogen 2.696 N/A ASP 244.A N TYR 240.A O no hydrogen 2.750 N/A ILE 245.A N LYS 241.A O no hydrogen 3.226 N/A LEU 246.A N VAL 242.A O no hydrogen 3.318 N/A LYS 247.A N MET 243.A O no hydrogen 2.967 N/A SER 248.A N ASP 244.A O no hydrogen 2.926 N/A SER 248.A OG ASP 244.A O no hydrogen 3.420 N/A SER 248.A OG ILE 245.A O no hydrogen 2.815 N/A LYS 253.A N ASP 249.A O no hydrogen 3.381 N/A ARG 255.A N LYS 252.A O no hydrogen 2.916 N/A ARG 255.A NH1 PHE 223.A O no hydrogen 2.869 N/A ARG 255.A NH1 CYS 228.A O no hydrogen 3.192 N/A VAL 256.A N LYS 253.A O no hydrogen 3.242 N/A HIS 257.A N LEU 230.A O no hydrogen 2.680 N/A HIS 257.A NE2 GLU 229.A OE1 no hydrogen 2.665 N/A GLU 259.A N ILE 232.A O no hydrogen 2.917 N/A TYR 261.A N GLY 234.A O no hydrogen 3.186 N/A TYR 261.A OH THR 132.A OG1 no hydrogen 2.776 N/A