Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jgq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N LEU 232.A OXT no hydrogen 2.894 N/A LYS 2.A NZ LEU 205.A O no hydrogen 2.730 N/A LYS 2.A NZ VAL 210.A O no hydrogen 2.736 N/A ILE 3.A N ASP 211.A O no hydrogen 3.013 N/A ALA 4.A N ARG 35.A O no hydrogen 3.016 N/A MET 5.A N LEU 213.A O no hydrogen 2.797 N/A ALA 6.A N PHE 37.A O no hydrogen 2.746 N/A ASN 7.A N ILE 215.A O no hydrogen 2.803 N/A PHE 8.A N PHE 39.A O no hydrogen 3.161 N/A LYS 9.A N ASN 7.A OD1 no hydrogen 3.000 N/A LYS 9.A NZ GLU 91.A OE2 no hydrogen 2.533 N/A ALA 11.A N PHE 8.A O no hydrogen 3.133 N/A LYS 16.A NZ GLU 221.A OE2 no hydrogen 3.384 N/A SER 17.A N PRO 13.A O no hydrogen 2.985 N/A SER 17.A OG GLY 44.A O no hydrogen 2.805 N/A HIS 18.A N ILE 14.A O no hydrogen 3.112 N/A HIS 18.A NE2 PHE 43.A O no hydrogen 2.942 N/A ALA 19.A N PHE 15.A O no hydrogen 3.135 N/A TYR 20.A N LYS 16.A O no hydrogen 3.009 N/A TYR 20.A OH SER 219.A O no hydrogen 2.815 N/A LEU 21.A N SER 17.A O no hydrogen 3.027 N/A LYS 22.A N HIS 18.A O no hydrogen 3.211 N/A GLU 23.A N ALA 19.A O no hydrogen 2.772 N/A LEU 24.A N TYR 20.A O no hydrogen 2.850 N/A GLU 25.A N LEU 21.A O no hydrogen 2.914 N/A LYS 26.A N LYS 22.A O no hydrogen 3.184 N/A LYS 26.A N GLU 23.A O no hydrogen 2.925 N/A THR 27.A N GLU 23.A O no hydrogen 2.933 N/A THR 27.A OG1 GLU 23.A O no hydrogen 3.071 N/A LEU 28.A N LEU 24.A O no hydrogen 2.935 N/A LYS 29.A N HIS 32.A ND1 no hydrogen 3.006 N/A HIS 32.A N LYS 29.A O no hydrogen 3.014 N/A PHE 33.A N PRO 30.A O no hydrogen 2.964 N/A ARG 35.A N HIS 32.A O no hydrogen 2.920 N/A ARG 35.A NE ASP 34.A O no hydrogen 2.935 N/A ARG 35.A NE ASP 34.A OD1 no hydrogen 2.609 N/A ARG 35.A NH1 THR 1.A O no hydrogen 2.718 N/A ARG 35.A NH2 ASP 34.A O no hydrogen 3.018 N/A VAL 36.A N HIS 32.A O no hydrogen 2.854 N/A PHE 37.A N ALA 4.A O no hydrogen 2.889 N/A VAL 38.A N THR 54.A O no hydrogen 2.869 N/A PHE 39.A N ALA 6.A O no hydrogen 2.729 N/A GLY 44.A N ASP 41.A OD1 no hydrogen 2.640 N/A LEU 45.A N ASP 41.A O no hydrogen 3.073 N/A ASN 48.A N LEU 80.A O no hydrogen 2.808 N/A ASN 48.A ND2 LYS 81.A O no hydrogen 2.756 N/A LEU 51.A N GLU 25.A OE2 no hydrogen 2.947 N/A HIS 52.A N GLU 25.A OE1 no hydrogen 3.145 N/A HIS 52.A ND1 GLU 25.A O no hydrogen 2.402 N/A THR 54.A N VAL 36.A O no hydrogen 2.831 N/A THR 54.A OG1 PHE 33.A O no hydrogen 2.776 N/A GLY 56.A N VAL 38.A O no hydrogen 3.071 N/A VAL 57.A N THR 84.A O no hydrogen 3.101 N/A GLN 58.A NE2 LYS 9.A O no hydrogen 2.939 N/A GLN 58.A NE2 PHE 39.A O no hydrogen 2.902 N/A TYR 61.A N ILE 72.A O no hydrogen 2.756 N/A ARG 63.A N TYR 61.A O no hydrogen 2.777 N/A PHE 68.A N GLY 66.A O no hydrogen 2.927 N/A GLU 71.A N PHE 68.A O no hydrogen 2.915 N/A THR 73.A OG1 ASP 64.A O no hydrogen 3.407 N/A SER 74.A N ARG 63.A O no hydrogen 3.077 N/A SER 74.A OG ARG 63.A O no hydrogen 3.218 N/A SER 74.A OG ASP 64.A OD2 no hydrogen 3.208 N/A LYS 75.A N ASP 64.A O no hydrogen 3.046 N/A HIS 76.A N THR 73.A O no hydrogen 3.256 N/A GLU 78.A N SER 74.A O no hydrogen 2.916 N/A GLU 79.A N LYS 75.A O no hydrogen 2.862 N/A LEU 80.A N HIS 76.A O no hydrogen 2.982 N/A LYS 81.A N GLU 78.A O no hydrogen 3.087 N/A LYS 81.A NZ GLU 79.A O no hydrogen 2.696 N/A ILE 82.A N LEU 77.A O no hydrogen 2.803 N/A HIS 83.A ND1 HIS 83.A O no hydrogen 2.964 N/A LEU 85.A N LYS 116.A O no hydrogen 3.054 N/A LEU 86.A N VAL 57.A O no hydrogen 3.133 N/A ILE 87.A N VAL 118.A O no hydrogen 3.098 N/A GLU 91.A N HIS 89.A ND1 no hydrogen 3.078 N/A ARG 92.A N HIS 89.A O no hydrogen 2.980 N/A ARG 92.A NE GLU 98.A OE2 no hydrogen 2.836 N/A ARG 92.A NH2 GLU 98.A OE2 no hydrogen 3.295 N/A ARG 93.A N HIS 89.A O no hydrogen 3.153 N/A ARG 93.A NE GLY 88.A O no hydrogen 2.879 N/A ARG 93.A NH2 CYS 120.A O no hydrogen 3.026 N/A THR 94.A N SER 90.A O no hydrogen 3.053 N/A THR 94.A OG1 SER 90.A O no hydrogen 3.330 N/A LEU 95.A N GLU 91.A O no hydrogen 2.921 N/A LYS 97.A N THR 94.A O no hydrogen 3.431 N/A LYS 97.A NZ THR 94.A O no hydrogen 3.549 N/A GLU 98.A N ARG 92.A O no hydrogen 3.118 N/A SER 99.A OG SER 101.A OG no hydrogen 2.872 N/A SER 101.A OG SER 99.A OG no hydrogen 2.872 N/A LEU 103.A N SER 99.A O no hydrogen 3.003 N/A LYS 104.A N PRO 100.A O no hydrogen 2.869 N/A GLU 105.A N SER 101.A O no hydrogen 2.911 N/A LYS 106.A N PHE 102.A O no hydrogen 3.051 N/A LYS 106.A NZ ASN 59.A OD1 no hydrogen 2.773 N/A LYS 106.A NZ ALA 60.A O no hydrogen 3.367 N/A LYS 106.A NZ GLU 98.A OE1 no hydrogen 3.553 N/A LYS 106.A NZ GLU 98.A OE2 no hydrogen 2.846 N/A PHE 107.A N LEU 103.A O no hydrogen 2.932 N/A ASP 108.A N LYS 104.A O no hydrogen 2.976 N/A PHE 109.A N GLU 105.A O no hydrogen 3.127 N/A PHE 110.A N LYS 106.A O no hydrogen 2.928 N/A LYS 111.A N PHE 107.A O no hydrogen 2.814 N/A SER 112.A N ASP 108.A O no hydrogen 3.054 N/A SER 112.A OG PHE 109.A O no hydrogen 2.522 N/A LYS 113.A N PHE 110.A O no hydrogen 3.150 N/A LYS 113.A NZ ASP 64.A OD2 no hydrogen 2.780 N/A ASN 114.A N LYS 111.A O no hydrogen 2.794 N/A PHE 115.A N PHE 110.A O no hydrogen 2.960 N/A LYS 116.A N HIS 83.A O no hydrogen 2.942 N/A ILE 117.A N ASN 152.A O no hydrogen 2.982 N/A VAL 118.A N LEU 85.A O no hydrogen 2.996 N/A TYR 119.A N VAL 154.A O no hydrogen 2.755 N/A CYS 120.A N ILE 87.A O no hydrogen 2.888 N/A CYS 120.A SG ILE 87.A O no hydrogen 3.951 N/A CYS 120.A SG VAL 118.A O no hydrogen 3.989 N/A ILE 121.A N ALA 156.A O no hydrogen 3.013 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.544 N/A ARG 128.A N GLU 124.A O no hydrogen 3.237 N/A ARG 128.A NH1 GLU 123.A OE2 no hydrogen 3.155 N/A ARG 128.A NH1 THR 176.A OG1 no hydrogen 2.938 N/A ARG 128.A NH2 THR 176.A OG1 no hydrogen 2.827 N/A GLU 129.A N LEU 125.A O no hydrogen 2.882 N/A LYS 130.A N THR 127.A O no hydrogen 2.874 N/A GLY 131.A N ARG 128.A O no hydrogen 3.347 N/A VAL 135.A N GLY 131.A O no hydrogen 3.303 N/A LYS 136.A N PHE 132.A O no hydrogen 2.960 N/A GLU 137.A N LYS 133.A O no hydrogen 2.900 N/A PHE 138.A N ALA 134.A O no hydrogen 3.022 N/A LEU 139.A N VAL 135.A O no hydrogen 2.922 N/A SER 140.A N LYS 136.A O no hydrogen 2.851 N/A SER 140.A OG LYS 136.A O no hydrogen 2.630 N/A SER 140.A OG GLU 137.A O no hydrogen 3.018 N/A GLU 141.A N GLU 137.A O no hydrogen 2.939 N/A GLN 142.A N PHE 138.A O no hydrogen 3.097 N/A GLN 142.A NE2 GLY 122.A O no hydrogen 3.573 N/A LEU 143.A N LEU 139.A O no hydrogen 3.097 N/A GLU 144.A N GLU 141.A O no hydrogen 3.358 N/A ASN 145.A N GLN 142.A O no hydrogen 3.376 N/A ASN 145.A ND2 PRO 100.A O no hydrogen 2.859 N/A ASN 145.A ND2 TYR 119.A OH no hydrogen 3.119 N/A ILE 146.A N LEU 143.A O no hydrogen 3.357 N/A ASN 149.A N ASP 147.A OD1 no hydrogen 3.040 N/A TYR 150.A N ASP 147.A O no hydrogen 3.258 N/A TYR 150.A OH PHE 115.A O no hydrogen 2.632 N/A LEU 153.A N TYR 150.A O no hydrogen 3.128 N/A VAL 154.A N ILE 117.A O no hydrogen 2.793 N/A VAL 155.A N PRO 189.A O no hydrogen 3.045 N/A ALA 156.A N TYR 119.A O no hydrogen 2.947 N/A TYR 157.A N LEU 191.A O no hydrogen 2.789 N/A TYR 157.A OH GLU 123.A OE1 no hydrogen 2.746 N/A TYR 157.A OH GLU 123.A OE2 no hydrogen 3.090 N/A GLU 158.A N ILE 121.A O no hydrogen 2.825 N/A ILE 160.A N GLU 123.A O no hydrogen 3.019 N/A TRP 161.A NE1 GLU 123.A OE2 no hydrogen 2.914 N/A ALA 162.A N PRO 159.A O no hydrogen 2.859 N/A ILE 163.A N ILE 160.A O no hydrogen 3.333 N/A THR 165.A N SER 195.A OG no hydrogen 3.169 N/A THR 165.A OG1 TRP 161.A O no hydrogen 3.391 N/A SER 167.A OG ALA 168.A O no hydrogen 3.361 N/A ALA 168.A N TYR 192.A OH no hydrogen 3.264 N/A GLU 171.A N GLU 171.A OE2 no hydrogen 2.715 N/A ASP 172.A N SER 169.A OG no hydrogen 3.009 N/A ILE 173.A N SER 169.A O no hydrogen 2.831 N/A TYR 174.A N LEU 170.A O no hydrogen 2.759 N/A LEU 175.A N GLU 171.A O no hydrogen 3.093 N/A THR 176.A N ASP 172.A O no hydrogen 2.916 N/A THR 176.A OG1 ASP 172.A O no hydrogen 2.912 N/A HIS 177.A N ILE 173.A O no hydrogen 3.006 N/A GLY 178.A N TYR 174.A O no hydrogen 3.065 N/A PHE 179.A N LEU 175.A O no hydrogen 3.075 N/A LEU 180.A N THR 176.A O no hydrogen 2.965 N/A LYS 181.A N HIS 177.A O no hydrogen 2.913 N/A LYS 181.A NZ ASP 211.A OD1 no hydrogen 2.628 N/A GLN 182.A N PHE 179.A O no hydrogen 2.815 N/A GLN 182.A NE2 GLY 178.A O no hydrogen 3.546 N/A ILE 183.A N LEU 180.A O no hydrogen 2.883 N/A LEU 184.A N LEU 180.A O no hydrogen 2.935 N/A LYS 187.A N ASN 185.A OD1 no hydrogen 2.799 N/A THR 188.A N ASN 185.A O no hydrogen 3.058 N/A THR 188.A OG1 ASN 185.A O no hydrogen 3.559 N/A LEU 190.A N ASP 211.A OD1 no hydrogen 2.813 N/A LEU 191.A N VAL 155.A O no hydrogen 2.803 N/A TYR 192.A N GLY 212.A O no hydrogen 3.024 N/A TYR 192.A OH GLY 194.A O no hydrogen 2.668 N/A GLY 193.A N TYR 157.A O no hydrogen 2.924 N/A SER 195.A OG ALA 162.A O no hydrogen 2.517 N/A SER 195.A OG THR 165.A O no hydrogen 3.029 N/A ASN 197.A N ASN 200.A OD1 no hydrogen 2.940 N/A GLN 199.A N ASN 197.A OD1 no hydrogen 2.911 N/A ASN 200.A N ASN 197.A OD1 no hydrogen 2.902 N/A ASN 200.A ND2 SER 195.A O no hydrogen 3.208 N/A ALA 201.A N ASN 197.A O no hydrogen 3.006 N/A ILE 204.A N ASN 200.A O no hydrogen 3.087 N/A LEU 205.A N ALA 201.A O no hydrogen 2.844 N/A GLY 206.A N GLU 203.A O no hydrogen 2.902 N/A ILE 207.A N ILE 204.A O no hydrogen 3.330 N/A VAL 210.A N ILE 207.A O no hydrogen 2.896 N/A ASP 211.A N LEU 190.A O no hydrogen 2.886 N/A LEU 213.A N ILE 3.A O no hydrogen 2.797 N/A LEU 214.A N TYR 192.A O no hydrogen 3.059 N/A ILE 215.A N MET 5.A O no hydrogen 2.623 N/A SER 219.A N GLY 216.A O no hydrogen 3.123 N/A SER 219.A OG ILE 215.A O no hydrogen 3.036 N/A SER 219.A OG GLY 216.A O no hydrogen 2.893 N/A TRP 220.A N SER 217.A O no hydrogen 3.253 N/A TRP 220.A NE1 ASN 7.A O no hydrogen 2.979 N/A PHE 225.A N GLU 221.A O no hydrogen 3.203 N/A LYS 226.A N LEU 222.A O no hydrogen 2.815 N/A LYS 226.A NZ GLU 223.A OE2 no hydrogen 3.238 N/A THR 227.A N GLU 223.A O no hydrogen 2.936 N/A THR 227.A OG1 GLU 223.A O no hydrogen 3.119 N/A ILE 228.A N ASN 224.A O no hydrogen 2.966 N/A ILE 229.A N PHE 225.A O no hydrogen 2.852 N/A SER 230.A N LYS 226.A O no hydrogen 3.218 N/A SER 230.A N THR 227.A O no hydrogen 3.070 N/A SER 230.A OG THR 227.A O no hydrogen 2.374 N/A PHE 231.A N ILE 228.A O no hydrogen 2.926 N/A LEU 232.A N ILE 229.A O no hydrogen 3.067 N/A