Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mxx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N ASP 2.A OD1 no hydrogen 3.449 N/A GLU 5.A N ASP 2.A O no hydrogen 3.066 N/A ILE 6.A N VAL 72.A O no hydrogen 3.189 N/A ARG 8.A NH2 GLU 75.A O no hydrogen 2.784 N/A SER 10.A N PRO 7.A O no hydrogen 3.261 N/A SER 10.A OG PRO 7.A O no hydrogen 2.688 N/A LEU 11.A N ARG 8.A O no hydrogen 2.687 N/A ARG 12.A NE GLU 14.A OE1 no hydrogen 2.688 N/A ARG 12.A NE THR 29.A OG1 no hydrogen 3.344 N/A GLU 14.A N MET 27.A O no hydrogen 3.125 N/A LYS 16.A NZ GLN 19.A OE1 no hydrogen 3.170 N/A LYS 16.A NZ GLU 24.A OE1 no hydrogen 3.384 N/A VAL 25.A N GLY 18.A O no hydrogen 3.361 N/A TRP 26.A N ILE 38.A O no hydrogen 2.812 N/A MET 27.A N VAL 15.A O no hydrogen 3.093 N/A GLY 28.A N VAL 36.A O no hydrogen 2.921 N/A THR 29.A N ARG 12.A O no hydrogen 3.174 N/A THR 29.A OG1 GLU 14.A OE1 no hydrogen 2.776 N/A ASN 31.A N SER 10.A O no hydrogen 2.726 N/A THR 33.A N TRP 30.A O no hydrogen 3.072 N/A THR 33.A OG1 THR 34.A OG1 no hydrogen 2.816 N/A THR 34.A N TRP 30.A O no hydrogen 3.223 N/A THR 34.A OG1 TRP 30.A O no hydrogen 3.355 N/A THR 34.A OG1 THR 33.A OG1 no hydrogen 2.816 N/A VAL 36.A N GLY 28.A O no hydrogen 3.175 N/A ALA 37.A N THR 82.A O no hydrogen 3.068 N/A ILE 38.A N TRP 26.A O no hydrogen 2.803 N/A LYS 39.A N ILE 80.A O no hydrogen 2.848 N/A THR 40.A N GLU 24.A O no hydrogen 2.833 N/A LYS 42.A N PHE 22.A O no hydrogen 3.121 N/A THR 45.A N LYS 42.A O no hydrogen 2.724 N/A LEU 52.A N GLU 49.A O no hydrogen 2.762 N/A GLN 53.A N GLU 49.A O no hydrogen 2.566 N/A ALA 55.A N LEU 52.A O no hydrogen 2.604 N/A GLN 56.A N LEU 52.A O no hydrogen 3.033 N/A LYS 59.A N ALA 55.A O no hydrogen 3.245 N/A LYS 59.A N GLN 56.A O no hydrogen 2.947 N/A LYS 59.A NZ ASP 2.A OD1 no hydrogen 3.433 N/A LYS 59.A NZ ASP 2.A OD2 no hydrogen 2.972 N/A LYS 59.A NZ GLN 56.A OE1 no hydrogen 3.548 N/A LYS 60.A N GLN 56.A O no hydrogen 3.279 N/A ARG 62.A N TYR 120.A OH no hydrogen 3.049 N/A LYS 65.A N HIS 63.A ND1 no hydrogen 2.865 N/A LYS 65.A NZ GLN 113.A OE1 no hydrogen 3.464 N/A LEU 66.A N HIS 63.A O no hydrogen 3.098 N/A VAL 67.A N VAL 146.A O no hydrogen 3.050 N/A GLN 68.A N GLU 83.A OE2 no hydrogen 2.932 N/A TYR 70.A N VAL 81.A O no hydrogen 2.764 N/A ALA 71.A N VAL 81.A O no hydrogen 3.319 N/A VAL 72.A N TRP 4.A O no hydrogen 2.854 N/A VAL 73.A N TYR 79.A O no hydrogen 3.125 N/A SER 74.A OG GLU 5.A OE2 no hydrogen 2.680 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.914 N/A TYR 79.A N VAL 73.A O no hydrogen 3.180 N/A ILE 80.A N LYS 39.A O no hydrogen 3.313 N/A VAL 81.A N ALA 71.A O no hydrogen 2.797 N/A THR 82.A N ALA 37.A O no hydrogen 2.929 N/A THR 82.A OG1 GLU 83.A O no hydrogen 2.914 N/A GLU 83.A N GLN 68.A O no hydrogen 2.867 N/A LYS 87.A N VAL 138.A O no hydrogen 3.009 N/A GLY 88.A N MET 85.A O no hydrogen 3.443 N/A LEU 90.A N ILE 136.A O no hydrogen 2.791 N/A ASP 92.A N SER 89.A OG no hydrogen 3.090 N/A PHE 93.A N SER 89.A O no hydrogen 3.059 N/A LEU 94.A N LEU 90.A O no hydrogen 2.828 N/A LYS 95.A N LEU 91.A O no hydrogen 3.126 N/A LYS 95.A N ASP 92.A O no hydrogen 3.023 N/A GLY 96.A N ASP 92.A O no hydrogen 2.727 N/A GLY 99.A N GLY 96.A O no hydrogen 3.031 N/A TYR 101.A N THR 98.A O no hydrogen 2.882 N/A LEU 102.A N GLY 99.A O no hydrogen 3.173 N/A ARG 103.A N GLN 106.A OE1 no hydrogen 2.946 N/A ARG 103.A NH1 LYS 100.A O no hydrogen 2.863 N/A ARG 103.A NH1 LEU 102.A O no hydrogen 2.517 N/A ARG 103.A NH2 LYS 100.A O no hydrogen 2.947 N/A GLN 106.A N ARG 103.A O no hydrogen 3.035 N/A LEU 107.A N ARG 103.A O no hydrogen 3.154 N/A VAL 108.A N LEU 104.A O no hydrogen 2.575 N/A ASP 109.A N PRO 105.A O no hydrogen 3.114 N/A MET 110.A N GLN 106.A O no hydrogen 2.965 N/A ALA 111.A N LEU 107.A O no hydrogen 2.929 N/A ALA 112.A N VAL 108.A O no hydrogen 2.964 N/A GLN 113.A N ASP 109.A O no hydrogen 3.186 N/A GLN 113.A NE2 ASP 109.A O no hydrogen 3.551 N/A GLN 113.A NE2 LEU 142.A O no hydrogen 2.863 N/A ILE 114.A N MET 110.A O no hydrogen 3.223 N/A ALA 115.A N ALA 111.A O no hydrogen 2.761 N/A SER 116.A N ALA 112.A O no hydrogen 2.699 N/A SER 116.A OG GLN 246.A OE1 no hydrogen 3.448 N/A GLY 117.A N GLN 113.A O no hydrogen 2.722 N/A MET 118.A N ILE 114.A O no hydrogen 2.823 N/A ALA 119.A N ALA 115.A O no hydrogen 2.617 N/A TYR 120.A N SER 116.A O no hydrogen 3.267 N/A TYR 120.A N GLY 117.A O no hydrogen 3.327 N/A VAL 121.A N GLY 117.A O no hydrogen 3.127 N/A GLU 122.A N MET 118.A O no hydrogen 2.503 N/A ARG 123.A N ALA 119.A O no hydrogen 3.168 N/A MET 124.A N TYR 120.A O no hydrogen 2.787 N/A ASN 125.A N GLU 122.A O no hydrogen 3.157 N/A VAL 127.A N ARG 153.A O no hydrogen 3.284 N/A HIS 128.A N ASP 177.A OD2 no hydrogen 2.630 N/A HIS 128.A NE2 THR 147.A O no hydrogen 2.634 N/A ARG 129.A N ASP 177.A OD1 no hydrogen 3.023 N/A ARG 129.A NH1 LEU 151.A O no hydrogen 3.039 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.301 N/A ARG 132.A NE ASP 130.A OD1 no hydrogen 3.507 N/A ALA 133.A N GLU 187.A OE1 no hydrogen 2.685 N/A ASN 135.A N ARG 132.A O no hydrogen 2.679 N/A ILE 136.A N ALA 133.A O no hydrogen 3.107 N/A LEU 137.A N LYS 145.A O no hydrogen 2.823 N/A VAL 138.A N GLY 88.A O no hydrogen 2.913 N/A GLY 139.A N VAL 143.A O no hydrogen 2.858 N/A VAL 143.A N GLU 140.A O no hydrogen 3.340 N/A CYS 144.A N GLN 113.A OE1 no hydrogen 2.719 N/A CYS 144.A SG LEU 142.A O no hydrogen 3.658 N/A LYS 145.A N LEU 137.A O no hydrogen 2.850 N/A LYS 145.A NZ GLU 64.A O no hydrogen 2.888 N/A VAL 146.A N LYS 65.A O no hydrogen 3.026 N/A THR 147.A N ASN 135.A O no hydrogen 3.084 N/A ASP 148.A N THR 147.A OG1 no hydrogen 2.700 N/A ALA 152.A N PHE 149.A O no hydrogen 2.998 N/A LYS 160.A NZ PRO 195.A O no hydrogen 3.345 N/A LYS 160.A NZ MET 199.A O no hydrogen 2.965 N/A TRP 161.A N PRO 158.A O no hydrogen 3.182 N/A TRP 161.A NE1 GLU 187.A OE1 no hydrogen 2.973 N/A THR 162.A N ILE 159.A O no hydrogen 2.953 N/A THR 162.A OG1 PRO 158.A O no hydrogen 2.711 N/A ALA 166.A N ALA 163.A O no hydrogen 2.829 N/A ALA 167.A N ALA 163.A O no hydrogen 2.830 N/A LEU 168.A N PRO 164.A O no hydrogen 2.804 N/A TYR 169.A N GLU 165.A O no hydrogen 3.081 N/A ARG 171.A N GLU 165.A O no hydrogen 2.939 N/A THR 173.A N SER 176.A OG no hydrogen 3.204 N/A SER 176.A N THR 173.A OG1 no hydrogen 3.042 N/A SER 176.A OG THR 173.A O no hydrogen 2.975 N/A ASP 177.A N THR 173.A O no hydrogen 2.849 N/A VAL 178.A N ILE 174.A O no hydrogen 2.753 N/A TRP 179.A N LYS 175.A O no hydrogen 3.156 N/A SER 180.A N SER 176.A O no hydrogen 3.298 N/A SER 180.A OG TRP 161.A O no hydrogen 2.788 N/A PHE 181.A N ASP 177.A O no hydrogen 2.950 N/A GLY 182.A N VAL 178.A O no hydrogen 3.016 N/A ILE 183.A N TRP 179.A O no hydrogen 3.275 N/A LEU 184.A N SER 180.A O no hydrogen 2.723 N/A LEU 185.A N PHE 181.A O no hydrogen 2.746 N/A THR 186.A N ILE 183.A O no hydrogen 2.686 N/A THR 186.A OG1 ILE 183.A O no hydrogen 2.518 N/A GLU 187.A N ILE 183.A O no hydrogen 3.103 N/A LEU 188.A N LEU 184.A O no hydrogen 2.978 N/A THR 189.A N LEU 185.A O no hydrogen 3.023 N/A THR 189.A OG1 LEU 185.A O no hydrogen 2.720 N/A THR 189.A OG1 THR 186.A O no hydrogen 3.230 N/A THR 190.A N GLU 187.A O no hydrogen 3.259 N/A THR 190.A OG1 THR 186.A O no hydrogen 2.747 N/A THR 190.A OG1 GLU 187.A O no hydrogen 3.402 N/A LYS 191.A NZ LEU 102.A O no hydrogen 2.973 N/A LYS 191.A NZ ASN 265.A O no hydrogen 2.801 N/A GLY 192.A N GLU 187.A O no hydrogen 2.719 N/A MET 199.A N TYR 196.A O no hydrogen 2.990 N/A VAL 204.A N VAL 200.A O no hydrogen 2.799 N/A LEU 205.A N ASN 201.A O no hydrogen 3.028 N/A ASP 206.A N ARG 202.A O no hydrogen 2.963 N/A GLN 207.A N GLU 203.A O no hydrogen 2.964 N/A VAL 208.A N VAL 204.A O no hydrogen 2.618 N/A GLU 209.A N LEU 205.A O no hydrogen 2.933 N/A ARG 210.A N ASP 206.A O no hydrogen 3.068 N/A GLY 211.A N VAL 208.A O no hydrogen 2.914 N/A TYR 212.A N GLN 207.A O no hydrogen 2.776 N/A ARG 213.A NE TRP 232.A O no hydrogen 2.793 N/A ARG 213.A NH1 VAL 208.A O no hydrogen 3.264 N/A ARG 213.A NH1 TYR 212.A O no hydrogen 2.669 N/A ARG 213.A NH2 TRP 232.A O no hydrogen 2.631 N/A CYS 216.A SG PRO 217.A O no hydrogen 3.691 N/A CYS 216.A SG CYS 220.A O no hydrogen 3.147 N/A CYS 220.A N PRO 217.A O no hydrogen 2.906 N/A CYS 220.A SG PRO 221.A O no hydrogen 3.723 N/A SER 223.A OG TYR 252.A OH no hydrogen 2.896 N/A SER 223.A OG GLU 257.A OE2 no hydrogen 2.481 N/A HIS 225.A N PRO 221.A O no hydrogen 3.062 N/A HIS 225.A NE2 MET 214.A O no hydrogen 2.870 N/A ASP 226.A N GLU 222.A O no hydrogen 2.753 N/A LEU 227.A N SER 223.A O no hydrogen 3.211 N/A MET 228.A N LEU 224.A O no hydrogen 3.231 N/A CYS 229.A N HIS 225.A O no hydrogen 3.080 N/A CYS 229.A SG HIS 225.A O no hydrogen 3.237 N/A GLN 230.A N ASP 226.A O no hydrogen 2.816 N/A CYS 231.A N LEU 227.A O no hydrogen 3.022 N/A CYS 231.A SG LEU 227.A O no hydrogen 3.476 N/A TRP 232.A N MET 228.A O no hydrogen 2.965 N/A ARG 233.A N GLN 230.A O no hydrogen 3.310 N/A ARG 233.A NE GLU 238.A O no hydrogen 2.996 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.980 N/A GLU 238.A N GLU 235.A O no hydrogen 2.920 N/A ARG 239.A N PRO 236.A O no hydrogen 3.007 N/A ARG 239.A NE LYS 175.A O no hydrogen 3.265 N/A ARG 239.A NH1 GLU 165.A OE1 no hydrogen 3.300 N/A ARG 239.A NH1 ARG 233.A O no hydrogen 2.681 N/A ARG 239.A NH2 GLU 165.A OE1 no hydrogen 3.565 N/A ARG 239.A NH2 GLU 165.A OE2 no hydrogen 2.694 N/A ARG 239.A NH2 LYS 175.A O no hydrogen 2.891 N/A PHE 242.A N GLU 122.A OE2 no hydrogen 2.731 N/A GLU 243.A N GLU 122.A OE1 no hydrogen 3.273 N/A TYR 244.A N THR 241.A OG1 no hydrogen 2.686 N/A LEU 245.A N THR 241.A O no hydrogen 2.897 N/A GLN 246.A N PHE 242.A O no hydrogen 2.448 N/A ALA 247.A N GLU 243.A O no hydrogen 3.324 N/A PHE 248.A N TYR 244.A O no hydrogen 2.937 N/A LEU 249.A N LEU 245.A O no hydrogen 3.147 N/A GLU 250.A N GLN 246.A O no hydrogen 3.029 N/A ASP 251.A N ALA 247.A O no hydrogen 2.996 N/A TYR 252.A N LEU 249.A O no hydrogen 3.013 N/A TYR 252.A OH SER 223.A OG no hydrogen 2.896 N/A THR 254.A N ASP 251.A O no hydrogen 3.273 N/A SER 255.A N ASP 251.A O no hydrogen 2.825 N/A THR 256.A N TYR 252.A O no hydrogen 3.008 N/A GLU 257.A N TYR 252.A O no hydrogen 2.986 N/A TYR 260.A N GLU 257.A O no hydrogen 3.178 N/A TYR 260.A OH LEU 266.A OXT no hydrogen 2.627 N/A GLY 263.A N LEU 266.A O no hydrogen 3.037 N/A GLU 264.A N GLU 219.A OE1 no hydrogen 2.774 N/A ASN 265.A N GLU 219.A OE2 no hydrogen 2.558 N/A LEU 266.A N GLU 219.A OE2 no hydrogen 2.584 N/A