Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pum_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 12.A N TRP 50.A O no hydrogen 2.784 N/A ARG 13.A N ASN 136.A OD1 no hydrogen 3.090 N/A ARG 13.A NH1 ASN 136.A O no hydrogen 3.294 N/A VAL 15.A N LEU 133.A O no hydrogen 2.966 N/A GLY 16.A N MET 20.A O no hydrogen 2.669 N/A ARG 17.A NH1 ALA 110.A O no hydrogen 2.905 N/A ARG 17.A NH2 SER 209.A O no hydrogen 2.812 N/A ASN 18.A N ASP 179.A OD2 no hydrogen 2.844 N/A GLY 19.A N GLY 16.A O no hydrogen 2.636 N/A MET 20.A N ARG 17.A O no hydrogen 3.214 N/A THR 21.A N TRP 38.A O no hydrogen 2.702 N/A THR 21.A OG1 TRP 38.A O no hydrogen 3.162 N/A VAL 22.A N ILE 14.A O no hydrogen 2.877 N/A ASP 23.A N GLN 36.A O no hydrogen 2.868 N/A VAL 24.A N ASN 47.A O no hydrogen 3.079 N/A ARG 25.A N GLN 34.A O no hydrogen 3.316 N/A ARG 25.A NE GLN 36.A OE1 no hydrogen 3.071 N/A ARG 25.A NH1 GLN 34.A OE1 no hydrogen 3.082 N/A ARG 25.A NH2 GLN 36.A OE1 no hydrogen 3.276 N/A ARG 25.A NH2 GLY 116.A O no hydrogen 2.712 N/A ARG 25.A NH2 THR 118.A OG1 no hydrogen 3.059 N/A ASP 27.A N VAL 24.A O no hydrogen 3.100 N/A ASP 28.A N ARG 25.A O no hydrogen 2.989 N/A GLN 30.A N ASP 28.A OD1 no hydrogen 2.913 N/A GLY 32.A N ILE 78.A O no hydrogen 2.978 N/A ASN 33.A N GLN 30.A O no hydrogen 3.097 N/A ASN 33.A ND2 ARG 25.A O no hydrogen 2.889 N/A ASN 33.A ND2 ASP 28.A O no hydrogen 2.765 N/A ILE 35.A N VAL 76.A O no hydrogen 3.052 N/A GLN 36.A N ASP 23.A O no hydrogen 2.792 N/A GLN 36.A NE2 ASP 23.A OD1 no hydrogen 2.980 N/A LEU 37.A N THR 117.A O no hydrogen 2.872 N/A TRP 38.A N THR 21.A O no hydrogen 2.963 N/A LYS 41.A NZ ASP 45.A OD1 no hydrogen 2.681 N/A SER 42.A N SER 40.A OG no hydrogen 3.120 N/A ASN 43.A ND2 ASP 45.A OD1 no hydrogen 2.915 N/A ASP 45.A N ASN 43.A OD1 no hydrogen 2.618 N/A GLN 48.A N ASP 45.A O no hydrogen 3.512 N/A LEU 49.A N PRO 46.A O no hydrogen 2.980 N/A TRP 50.A N VAL 12.A O no hydrogen 2.773 N/A TRP 50.A NE1 VAL 22.A O no hydrogen 3.087 N/A THR 51.A N ARG 59.A O no hydrogen 2.725 N/A ILE 52.A N PRO 10.A O no hydrogen 2.867 N/A LYS 53.A N THR 57.A O no hydrogen 3.117 N/A LYS 53.A NZ GLU 9.A OE1 no hydrogen 2.932 N/A LYS 54.A N GLU 9.A OE2 no hydrogen 2.648 N/A GLY 56.A N LYS 53.A O no hydrogen 3.332 N/A THR 57.A N ASP 55.A OD1 no hydrogen 2.825 N/A THR 57.A OG1 ASP 55.A OD1 no hydrogen 2.662 N/A THR 57.A OG1 ASP 55.A OD2 no hydrogen 3.520 N/A ARG 59.A N THR 51.A O no hydrogen 3.044 N/A ARG 59.A NE THR 57.A OG1 no hydrogen 2.679 N/A ARG 59.A NH2 THR 57.A OG1 no hydrogen 3.243 N/A SER 60.A N SER 63.A O no hydrogen 2.849 N/A SER 60.A OG PRO 46.A O no hydrogen 2.718 N/A SER 60.A OG LEU 49.A O no hydrogen 3.383 N/A SER 63.A N SER 60.A O no hydrogen 2.857 N/A CYS 64.A N PHE 79.A O no hydrogen 2.749 N/A LEU 65.A N ILE 58.A O no hydrogen 2.901 N/A THR 66.A N MET 77.A O no hydrogen 2.630 N/A THR 66.A OG1 CYS 64.A O no hydrogen 2.678 N/A THR 67.A N ALA 88.A O no hydrogen 2.958 N/A THR 67.A OG1 GLY 69.A O no hydrogen 2.824 N/A TYR 68.A N TYR 75.A O no hydrogen 2.925 N/A GLY 69.A N THR 67.A OG1 no hydrogen 3.313 N/A GLY 73.A N VAL 121.A O no hydrogen 2.821 N/A VAL 74.A N THR 71.A O no hydrogen 3.257 N/A VAL 76.A N LEU 119.A O no hydrogen 2.954 N/A MET 77.A N THR 66.A O no hydrogen 2.571 N/A ILE 78.A N ASN 33.A O no hydrogen 2.954 N/A PHE 79.A N CYS 64.A O no hydrogen 2.961 N/A ASP 80.A N ASP 31.A OD1 no hydrogen 2.880 N/A CYS 81.A SG GLY 62.A O no hydrogen 3.486 N/A ASN 82.A N ASP 80.A OD1 no hydrogen 2.638 N/A THR 83.A N ASP 80.A O no hydrogen 3.310 N/A THR 83.A N ASP 80.A OD1 no hydrogen 3.314 N/A THR 83.A OG1 ASP 80.A O no hydrogen 3.547 N/A ALA 84.A N ASP 80.A O no hydrogen 3.008 N/A ARG 86.A NH1 ASP 55.A OD2 no hydrogen 3.355 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.535 N/A ALA 88.A N VAL 85.A O no hydrogen 2.957 N/A THR 89.A N ARG 86.A O no hydrogen 2.819 N/A THR 89.A OG1 ARG 86.A O no hydrogen 2.641 N/A ILE 90.A N GLU 87.A O no hydrogen 3.395 N/A TRP 91.A N GLY 56.A O no hydrogen 3.028 N/A TRP 91.A NE1 LEU 65.A O no hydrogen 2.901 N/A GLN 92.A N ILE 100.A O no hydrogen 2.793 N/A TRP 94.A N THR 98.A O no hydrogen 2.900 N/A TRP 94.A NE1 GLN 92.A OE1 no hydrogen 3.304 N/A GLY 97.A N TRP 94.A O no hydrogen 2.968 N/A ILE 100.A N GLN 92.A O no hydrogen 2.926 N/A ASN 101.A N LEU 106.A O no hydrogen 2.870 N/A ASN 101.A ND2 SER 104.A OG no hydrogen 2.659 N/A SER 104.A OG ASN 101.A O no hydrogen 3.476 N/A ASN 105.A N ASN 101.A O no hydrogen 2.722 N/A LEU 106.A N SER 104.A OG no hydrogen 2.999 N/A VAL 107.A N GLN 122.A O no hydrogen 2.776 N/A LEU 108.A N ILE 99.A O no hydrogen 2.819 N/A ALA 109.A N THR 120.A O no hydrogen 2.814 N/A ALA 110.A N GLY 129.A O no hydrogen 2.883 N/A GLY 116.A N LEU 37.A O no hydrogen 2.798 N/A THR 117.A N ILE 114.A O no hydrogen 3.260 N/A THR 117.A OG1 ILE 114.A O no hydrogen 2.757 N/A THR 118.A OG1 GLN 34.A OE1 no hydrogen 2.877 N/A LEU 119.A N ILE 35.A O no hydrogen 2.848 N/A THR 120.A N ALA 109.A O no hydrogen 2.933 N/A THR 120.A OG1 GLN 122.A OE1 no hydrogen 2.613 N/A VAL 121.A N VAL 74.A O no hydrogen 3.144 N/A GLN 122.A N VAL 107.A O no hydrogen 2.894 N/A THR 127.A N ASP 125.A OD2 no hydrogen 2.950 N/A THR 127.A OG1 ASP 125.A OD1 no hydrogen 3.443 N/A THR 127.A OG1 ASP 125.A OD2 no hydrogen 2.560 N/A LEU 128.A N GLY 211.A O no hydrogen 2.793 N/A GLN 130.A N THR 127.A O no hydrogen 2.817 N/A GLY 131.A N LEU 128.A O no hydrogen 2.944 N/A TRP 132.A N GLY 97.A O no hydrogen 2.730 N/A TRP 132.A NE1 LEU 108.A O no hydrogen 3.062 N/A LEU 133.A N VAL 15.A O no hydrogen 2.795 N/A GLY 135.A N ARG 13.A O no hydrogen 2.790 N/A ALA 139.A N ASP 137.A OD1 no hydrogen 3.303 N/A ARG 141.A N LEU 176.A O no hydrogen 2.972 N/A ARG 141.A NH1 ASP 137.A O no hydrogen 2.716 N/A ARG 141.A NH1 ALA 139.A O no hydrogen 2.942 N/A VAL 143.A N TRP 174.A O no hydrogen 2.688 N/A THR 144.A N VAL 262.A O no hydrogen 2.803 N/A TYR 146.A N LEU 260.A O no hydrogen 2.780 N/A GLY 147.A N LEU 151.A O no hydrogen 2.939 N/A ASP 150.A N GLY 147.A O no hydrogen 2.897 N/A LEU 151.A N PHE 148.A O no hydrogen 2.910 N/A CYS 152.A N GLU 163.A O no hydrogen 2.731 N/A MET 153.A N ILE 145.A O no hydrogen 2.962 N/A GLU 154.A N TRP 161.A O no hydrogen 2.665 N/A SER 155.A N ASN 171.A O no hydrogen 2.835 N/A SER 155.A OG ASN 171.A O no hydrogen 3.561 N/A ALA 156.A N SER 159.A O no hydrogen 2.642 N/A SER 159.A N ALA 156.A O no hydrogen 2.900 N/A TRP 161.A N GLU 154.A O no hydrogen 3.005 N/A GLU 163.A N CYS 152.A O no hydrogen 2.913 N/A CYS 165.A SG ASP 150.A O no hydrogen 3.050 N/A THR 166.A OG1 GLN 169.A OE1 no hydrogen 3.083 N/A GLN 169.A N THR 166.A O no hydrogen 3.132 N/A GLN 172.A N GLN 169.A O no hydrogen 3.011 N/A ARG 173.A N GLU 170.A O no hydrogen 2.938 N/A ARG 173.A NH1 THR 144.A OG1 no hydrogen 2.914 N/A ARG 173.A NH1 PRO 263.A OXT no hydrogen 3.178 N/A ARG 173.A NH2 PRO 263.A OXT no hydrogen 3.132 N/A TRP 174.A N VAL 143.A O no hydrogen 2.677 N/A TRP 174.A NE1 MET 153.A O no hydrogen 2.953 N/A ALA 175.A N ARG 183.A O no hydrogen 2.702 N/A LEU 176.A N ARG 141.A O no hydrogen 2.720 N/A TYR 177.A N SER 181.A O no hydrogen 3.058 N/A TYR 177.A OH GLN 188.A OE1 no hydrogen 2.483 N/A GLY 180.A N TYR 177.A O no hydrogen 2.910 N/A SER 181.A N ASP 179.A OD1 no hydrogen 2.962 N/A SER 181.A OG ASP 179.A OD1 no hydrogen 2.606 N/A ARG 183.A N ALA 175.A O no hydrogen 2.927 N/A ARG 183.A NE SER 181.A OG no hydrogen 2.892 N/A ARG 183.A NH1 GLN 188.A O no hydrogen 2.857 N/A ARG 183.A NH2 ASP 179.A OD2 no hydrogen 2.991 N/A LYS 185.A N ARG 173.A O no hydrogen 3.113 N/A LYS 185.A NZ GLU 170.A OE2 no hydrogen 2.385 N/A ASN 187.A N PRO 184.A O no hydrogen 2.964 N/A GLN 188.A NE2 LYS 185.A O no hydrogen 3.124 N/A SER 189.A N ASN 187.A OD1 no hydrogen 3.087 N/A GLN 190.A N ASN 187.A O no hydrogen 2.976 N/A CYS 191.A N VAL 206.A O no hydrogen 2.720 N/A LEU 192.A N ILE 182.A O no hydrogen 2.908 N/A THR 193.A N ASN 204.A O no hydrogen 2.788 N/A THR 193.A OG1 CYS 191.A O no hydrogen 2.950 N/A THR 193.A OG1 GLN 215.A OE1 no hydrogen 3.110 N/A ASN 194.A N GLY 214.A O no hydrogen 3.000 N/A ASN 194.A ND2 ASN 227.A OD1 no hydrogen 3.548 N/A SER 200.A OG VAL 199.A O no hydrogen 3.053 N/A THR 201.A N SER 198.A O no hydrogen 3.022 N/A THR 201.A OG1 SER 198.A O no hydrogen 2.537 N/A ILE 203.A N ILE 246.A O no hydrogen 2.785 N/A ASN 204.A N THR 193.A O no hydrogen 2.778 N/A ILE 205.A N GLY 158.A O no hydrogen 2.824 N/A VAL 206.A N CYS 191.A O no hydrogen 3.193 N/A SER 207.A OG SER 209.A OG no hydrogen 3.165 N/A CYS 208.A N SER 189.A O no hydrogen 2.961 N/A CYS 208.A SG SER 189.A O no hydrogen 3.444 N/A SER 209.A N SER 207.A OG no hydrogen 3.132 N/A SER 209.A OG SER 207.A OG no hydrogen 3.165 N/A GLY 211.A N CYS 208.A O no hydrogen 2.712 N/A GLN 215.A N SER 212.A O no hydrogen 3.023 N/A GLN 215.A NE2 CYS 208.A O no hydrogen 3.617 N/A ARG 216.A N SER 213.A O no hydrogen 3.213 N/A ARG 216.A NH1 THR 127.A O no hydrogen 2.997 N/A ARG 216.A NH2 ASN 96.A O no hydrogen 2.848 N/A TRP 217.A N GLY 180.A O no hydrogen 2.830 N/A TRP 217.A NE1 LEU 192.A O no hydrogen 3.041 N/A VAL 218.A N LEU 226.A O no hydrogen 2.824 N/A THR 220.A N ALA 224.A O no hydrogen 2.982 N/A THR 220.A OG1 ALA 224.A O no hydrogen 3.056 N/A GLY 223.A N THR 220.A O no hydrogen 3.148 N/A ALA 224.A N THR 220.A OG1 no hydrogen 2.787 N/A LEU 226.A N VAL 218.A O no hydrogen 2.966 N/A ASN 227.A N LEU 232.A O no hydrogen 2.935 N/A LEU 228.A N ARG 216.A O no hydrogen 3.022 N/A LYS 229.A NZ SER 213.A OG no hydrogen 2.878 N/A GLY 231.A N ASN 227.A O no hydrogen 2.970 N/A ALA 233.A N TYR 249.A O no hydrogen 2.849 N/A MET 234.A N ILE 225.A O no hydrogen 2.800 N/A ASP 235.A N ILE 247.A O no hydrogen 2.632 N/A VAL 236.A N ASN 256.A O no hydrogen 2.906 N/A ALA 237.A N ARG 245.A O no hydrogen 3.175 N/A ALA 239.A N VAL 236.A O no hydrogen 2.923 N/A ASN 240.A N ALA 237.A O no hydrogen 2.767 N/A LEU 243.A N ASN 240.A O no hydrogen 2.823 N/A ALA 244.A N PRO 241.A O no hydrogen 2.956 N/A ILE 247.A N ASP 235.A O no hydrogen 2.732 N/A ILE 248.A N THR 201.A O no hydrogen 3.159 N/A TYR 249.A N ALA 233.A O no hydrogen 2.893 N/A THR 252.A N GLN 257.A OE1 no hydrogen 2.779 N/A ASN 256.A ND2 VAL 236.A O no hydrogen 2.946 N/A GLN 257.A N ASN 254.A O no hydrogen 2.802 N/A GLN 257.A NE2 ASP 235.A OD2 no hydrogen 2.856 N/A GLN 257.A NE2 PRO 250.A O no hydrogen 2.966 N/A MET 258.A N PRO 255.A O no hydrogen 3.350 N/A TRP 259.A N GLY 223.A O no hydrogen 2.747 N/A TRP 259.A NE1 MET 234.A O no hydrogen 3.231 N/A LEU 260.A N TYR 146.A O no hydrogen 2.701 N/A VAL 262.A N THR 144.A O no hydrogen 2.783 N/A