Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xm1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 6.A OE1 no hydrogen 3.446 N/A SER 2.A OG GLU 6.A OE1 no hydrogen 2.891 N/A ALA 7.A N THR 3.A O no hydrogen 3.074 N/A PHE 8.A N PHE 4.A O no hydrogen 2.799 N/A ASN 9.A N GLU 5.A O no hydrogen 3.121 N/A LYS 10.A N GLU 6.A O no hydrogen 2.833 N/A LEU 11.A N ALA 7.A O no hydrogen 2.734 N/A LEU 12.A N PHE 8.A O no hydrogen 3.146 N/A LYS 13.A N ASN 9.A O no hydrogen 3.067 N/A GLU 14.A N LYS 10.A O no hydrogen 2.933 N/A VAL 15.A N LYS 10.A O no hydrogen 3.341 N/A LEU 16.A N LEU 11.A O no hydrogen 3.081 N/A PHE 18.A N LEU 12.A O no hydrogen 2.520 N/A ASN 22.A N ASN 19.A OD1 no hydrogen 3.369 N/A GLU 25.A N ASN 22.A O no hydrogen 3.227 N/A ALA 27.A N PHE 24.A O no hydrogen 3.258 N/A LYS 28.A N ASP 130.A OD1 no hydrogen 3.091 N/A LYS 29.A N ASP 130.A OD1 no hydrogen 3.091 N/A LYS 29.A NZ GLU 127.A O no hydrogen 3.071 N/A LYS 29.A NZ GLU 127.A OE2 no hydrogen 2.503 N/A VAL 30.A N GLU 57.A O no hydrogen 2.868 N/A ILE 31.A N GLY 131.A O no hydrogen 3.058 N/A CYS 32.A N ILE 59.A O no hydrogen 2.827 N/A ILE 33.A N PHE 133.A O no hydrogen 2.531 N/A GLU 34.A N ILE 61.A O no hydrogen 2.860 N/A HIS 36.A N ASP 39.A OD2 no hydrogen 3.131 N/A HIS 36.A NE2 ASP 146.A OD1 no hydrogen 2.814 N/A ASP 38.A N GLU 88.A OE1 no hydrogen 3.305 N/A ASP 39.A N HIS 36.A O no hydrogen 3.259 N/A CYS 40.A N GLU 34.A OE1 no hydrogen 2.905 N/A CYS 40.A SG CYS 32.A O no hydrogen 3.620 N/A CYS 40.A SG GLU 34.A OE1 no hydrogen 3.664 N/A ILE 42.A N ASP 38.A O no hydrogen 2.813 N/A GLY 43.A N ASP 39.A O no hydrogen 2.802 N/A MET 44.A N CYS 40.A O no hydrogen 2.922 N/A GLY 45.A N ALA 41.A O no hydrogen 2.928 N/A GLY 46.A N GLU 244.A OE2 no hydrogen 3.001 N/A THR 47.A N GLU 244.A OE1 no hydrogen 2.743 N/A THR 47.A OG1 GLU 244.A OE1 no hydrogen 2.540 N/A ILE 48.A N MET 44.A O no hydrogen 3.019 N/A LYS 49.A N GLY 45.A O no hydrogen 3.194 N/A LYS 49.A NZ LEU 94.A O no hydrogen 3.389 N/A LYS 50.A N GLY 46.A O no hydrogen 2.952 N/A LEU 51.A N THR 47.A O no hydrogen 2.784 N/A SER 52.A N ILE 48.A O no hydrogen 2.841 N/A SER 52.A OG LEU 95.A O no hydrogen 3.275 N/A ASP 53.A N LYS 49.A O no hydrogen 2.919 N/A GLU 54.A N LYS 50.A O no hydrogen 3.002 N/A GLY 55.A N SER 52.A O no hydrogen 2.502 N/A VAL 56.A N LEU 51.A O no hydrogen 2.995 N/A GLU 57.A N LYS 28.A O no hydrogen 2.887 N/A ILE 59.A N VAL 30.A O no hydrogen 2.916 N/A TYR 60.A N LYS 99.A O no hydrogen 2.997 N/A ILE 61.A N CYS 32.A O no hydrogen 3.132 N/A CYS 62.A N TYR 101.A O no hydrogen 2.930 N/A CYS 62.A SG GLU 34.A OE2 no hydrogen 3.349 N/A CYS 62.A SG THR 64.A O no hydrogen 3.232 N/A MET 63.A N GLU 34.A O no hydrogen 2.758 N/A THR 64.A OG1 PRO 35.A O no hydrogen 2.505 N/A ASP 65.A N TYR 105.A O no hydrogen 3.057 N/A TYR 67.A N ASP 65.A OD1 no hydrogen 3.077 N/A MET 68.A N ASP 107.A OD2 no hydrogen 2.691 N/A GLY 69.A N GLY 66.A O no hydrogen 3.214 N/A THR 70.A N MET 68.A O no hydrogen 2.692 N/A ASP 72.A N THR 70.A OG1 no hydrogen 2.611 N/A LYS 74.A N ASP 72.A OD2 no hydrogen 2.890 N/A LEU 75.A N ASP 72.A O no hydrogen 3.152 N/A GLU 79.A N SER 76.A OG no hydrogen 3.343 N/A LEU 80.A N SER 76.A O no hydrogen 3.040 N/A ALA 81.A N GLY 77.A O no hydrogen 2.923 N/A LEU 82.A N HIS 78.A O no hydrogen 3.125 N/A ILE 83.A N GLU 79.A O no hydrogen 2.883 N/A ARG 84.A N LEU 80.A O no hydrogen 2.732 N/A ARG 84.A NH1 GLY 66.A O no hydrogen 2.909 N/A ARG 84.A NH2 PRO 37.A O no hydrogen 2.850 N/A ARG 85.A N ALA 81.A O no hydrogen 3.073 N/A ARG 86.A N LEU 82.A O no hydrogen 3.338 N/A GLU 87.A N ILE 83.A O no hydrogen 3.067 N/A GLU 88.A N ARG 84.A O no hydrogen 2.934 N/A GLU 89.A N ARG 85.A O no hydrogen 2.976 N/A GLU 90.A N ARG 86.A O no hydrogen 3.306 N/A SER 91.A N GLU 87.A O no hydrogen 2.818 N/A SER 91.A OG ALA 207.A O no hydrogen 2.835 N/A SER 91.A OG HIS 211.A NE2 no hydrogen 3.265 N/A ALA 92.A N GLU 88.A O no hydrogen 2.709 N/A LYS 93.A N GLU 89.A O no hydrogen 2.897 N/A LEU 94.A N GLU 90.A O no hydrogen 3.141 N/A LEU 95.A N SER 91.A O no hydrogen 3.345 N/A LEU 95.A N ALA 92.A O no hydrogen 3.245 N/A GLY 96.A N LYS 93.A O no hydrogen 2.924 N/A VAL 97.A N ALA 92.A O no hydrogen 2.835 N/A LYS 99.A NZ GLU 127.A OE1 no hydrogen 2.766 N/A TYR 101.A N TYR 60.A O no hydrogen 2.765 N/A TYR 101.A OH GLU 127.A OE1 no hydrogen 2.621 N/A LEU 103.A N CYS 62.A O no hydrogen 3.061 N/A TYR 105.A N MET 63.A O no hydrogen 3.334 N/A TYR 105.A OH ASP 119.A OD2 no hydrogen 2.367 N/A ASP 107.A N ASP 65.A OD1 no hydrogen 2.878 N/A THR 108.A N ASP 146.A OD1 no hydrogen 2.811 N/A THR 108.A OG1 ASP 107.A O no hydrogen 2.423 N/A GLU 109.A N ARG 106.A O no hydrogen 2.718 N/A LEU 110.A N ASP 146.A OD2 no hydrogen 3.301 N/A TYR 112.A OH GLU 156.A OE1 no hydrogen 3.225 N/A TYR 112.A OH GLU 156.A OE2 no hydrogen 2.735 N/A VAL 116.A N SER 113.A O no hydrogen 3.041 N/A ARG 117.A N SER 113.A O no hydrogen 3.182 N/A ARG 117.A NE GLU 156.A OE1 no hydrogen 3.020 N/A ARG 117.A NH2 GLU 156.A OE1 no hydrogen 2.974 N/A LYS 118.A N ARG 114.A O no hydrogen 2.854 N/A ASP 119.A N GLU 115.A O no hydrogen 3.259 N/A LEU 120.A N VAL 116.A O no hydrogen 3.195 N/A VAL 121.A N ARG 117.A O no hydrogen 2.762 N/A LYS 122.A N LYS 118.A O no hydrogen 2.814 N/A ILE 123.A N ASP 119.A O no hydrogen 3.269 N/A ILE 124.A N LEU 120.A O no hydrogen 2.771 N/A ARG 125.A N VAL 121.A O no hydrogen 2.906 N/A ARG 125.A NE SER 161.A O no hydrogen 3.033 N/A ARG 125.A NH1 SER 161.A O no hydrogen 3.355 N/A ARG 125.A NH1 PHE 166.A O no hydrogen 3.007 N/A ARG 125.A NH2 PHE 166.A O no hydrogen 3.015 N/A ARG 125.A NH2 SER 167.A O no hydrogen 3.159 N/A ARG 125.A NH2 ASP 170.A OD1 no hydrogen 2.951 N/A LYS 126.A N LYS 122.A O no hydrogen 3.011 N/A GLU 127.A N ILE 123.A O no hydrogen 2.900 N/A LYS 128.A N ILE 124.A O no hydrogen 2.756 N/A ASP 130.A N LYS 29.A O no hydrogen 2.851 N/A VAL 132.A N PHE 182.A O no hydrogen 3.053 N/A PHE 133.A N ILE 31.A O no hydrogen 2.687 N/A ALA 134.A N ALA 184.A O no hydrogen 3.334 N/A ASP 136.A N TYR 186.A O no hydrogen 2.866 N/A TRP 138.A N ASP 136.A OD2 no hydrogen 2.829 N/A LEU 139.A N ASP 136.A O no hydrogen 3.056 N/A GLU 142.A N LEU 139.A O no hydrogen 3.115 N/A SER 143.A OG TYR 141.A O no hydrogen 3.217 N/A HIS 144.A N GLU 142.A OE2 no hydrogen 2.707 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.173 N/A ARG 148.A N HIS 144.A O no hydrogen 3.091 N/A ARG 148.A NH1 GLU 142.A O no hydrogen 2.872 N/A ARG 149.A N PRO 145.A O no hydrogen 2.962 N/A ARG 149.A NH1 LEU 110.A O no hydrogen 3.019 N/A THR 150.A N ASP 146.A O no hydrogen 3.155 N/A THR 150.A OG1 ASP 146.A O no hydrogen 2.816 N/A GLY 151.A N HIS 147.A O no hydrogen 3.213 N/A PHE 152.A N ARG 148.A O no hydrogen 3.098 N/A LEU 153.A N ARG 149.A O no hydrogen 2.878 N/A ALA 154.A N THR 150.A O no hydrogen 2.848 N/A ALA 154.A N GLY 151.A O no hydrogen 3.020 N/A ILE 155.A N GLY 151.A O no hydrogen 3.231 N/A GLU 156.A N PHE 152.A O no hydrogen 2.928 N/A SER 157.A N LEU 153.A O no hydrogen 2.863 N/A SER 157.A OG LEU 153.A O no hydrogen 2.753 N/A VAL 158.A N ALA 154.A O no hydrogen 2.997 N/A ALA 159.A N ILE 155.A O no hydrogen 3.230 N/A PHE 160.A N GLU 156.A O no hydrogen 2.954 N/A SER 161.A N SER 157.A O no hydrogen 2.874 N/A SER 161.A OG SER 157.A O no hydrogen 2.880 N/A LEU 163.A N PHE 160.A O no hydrogen 3.068 N/A PHE 166.A N LEU 163.A O no hydrogen 3.034 N/A ASP 170.A N SER 167.A O no hydrogen 3.107 N/A ASP 172.A N ASN 168.A O no hydrogen 3.214 N/A ILE 173.A N ILE 169.A O no hydrogen 3.037 N/A ILE 173.A N ASP 170.A O no hydrogen 3.134 N/A GLY 174.A N ILE 171.A O no hydrogen 2.990 N/A LEU 175.A N ASP 170.A O no hydrogen 2.905 N/A HIS 178.A N SER 161.A O no hydrogen 3.190 N/A HIS 178.A NE2 PRO 129.A O no hydrogen 2.733 N/A SER 181.A N ASP 130.A O no hydrogen 2.659 N/A PHE 182.A N ASP 130.A O no hydrogen 3.068 N/A ALA 184.A N VAL 132.A O no hydrogen 2.990 N/A LEU 185.A N ARG 247.A O no hydrogen 2.788 N/A TYR 186.A N ALA 134.A O no hydrogen 2.977 N/A TYR 186.A OH ILE 33.A O no hydrogen 2.824 N/A TYR 187.A OH ASP 39.A OD1 no hydrogen 2.831 N/A THR 188.A OG1 ASP 136.A OD1 no hydrogen 2.837 N/A LYS 190.A N THR 188.A OG1 no hydrogen 2.955 N/A ASN 192.A N PHE 246.A O no hydrogen 2.819 N/A ASN 192.A ND2 VAL 248.A O no hydrogen 2.533 N/A ASN 192.A ND2 ILE 263.A O no hydrogen 3.316 N/A TYR 193.A N PHE 246.A O no hydrogen 3.092 N/A VAL 195.A N GLU 244.A O no hydrogen 2.906 N/A ILE 197.A N TYR 242.A O no hydrogen 2.949 N/A THR 198.A N ASP 196.A OD1 no hydrogen 2.894 N/A THR 198.A OG1 ASP 196.A OD1 no hydrogen 2.832 N/A THR 198.A OG1 TYR 242.A O no hydrogen 3.387 N/A LEU 200.A N ILE 197.A O no hydrogen 2.756 N/A MET 201.A N THR 198.A O no hydrogen 3.476 N/A LYS 204.A N LEU 200.A O no hydrogen 2.862 N/A LYS 204.A NZ ILE 42.A O no hydrogen 2.738 N/A LYS 204.A NZ GLU 244.A OE2 no hydrogen 2.707 N/A LEU 205.A N MET 201.A O no hydrogen 2.996 N/A LYS 206.A N GLU 202.A O no hydrogen 3.098 N/A ALA 207.A N LEU 203.A O no hydrogen 2.847 N/A ILE 208.A N LYS 204.A O no hydrogen 2.875 N/A ARG 209.A N LEU 205.A O no hydrogen 2.724 N/A ARG 209.A NH1 ASP 217.A OD2 no hydrogen 3.071 N/A ARG 209.A NH2 PHE 215.A O no hydrogen 2.962 N/A ARG 209.A NH2 ASP 217.A OD2 no hydrogen 2.815 N/A ALA 210.A N LYS 206.A O no hydrogen 2.977 N/A HIS 211.A N ILE 208.A O no hydrogen 2.889 N/A ARG 212.A N ALA 210.A O no hydrogen 2.843 N/A SER 213.A N GLU 87.A OE1 no hydrogen 2.796 N/A SER 213.A OG GLU 87.A OE1 no hydrogen 3.388 N/A SER 213.A OG GLU 87.A OE2 no hydrogen 2.747 N/A GLN 214.A N HIS 211.A O no hydrogen 3.048 N/A GLN 214.A NE2 GLY 69.A O no hydrogen 2.726 N/A GLN 214.A NE2 SER 213.A OG no hydrogen 3.016 N/A PHE 215.A N HIS 211.A O no hydrogen 2.970 N/A ILE 219.A N THR 216.A OG1 no hydrogen 3.329 N/A TRP 220.A N THR 216.A O no hydrogen 2.880 N/A GLU 221.A N ASP 217.A O no hydrogen 2.998 N/A THR 222.A N ILE 219.A O no hydrogen 2.984 N/A TRP 223.A N ILE 219.A O no hydrogen 3.022 N/A GLU 224.A N TRP 220.A O no hydrogen 2.882 N/A PHE 226.A N THR 222.A O no hydrogen 2.888 N/A LEU 227.A N TRP 223.A O no hydrogen 2.565 N/A ARG 228.A N GLU 224.A O no hydrogen 2.810 N/A ARG 228.A NE GLU 224.A OE1 no hydrogen 2.581 N/A ARG 228.A NH1 GLU 202.A OE1 no hydrogen 3.463 N/A ARG 228.A NH1 TYR 242.A OH no hydrogen 2.980 N/A ARG 228.A NH2 GLU 202.A OE1 no hydrogen 3.137 N/A ARG 228.A NH2 GLU 224.A OE1 no hydrogen 2.480 N/A THR 229.A N PRO 225.A O no hydrogen 2.949 N/A THR 229.A OG1 PRO 225.A O no hydrogen 2.474 N/A VAL 230.A N PHE 226.A O no hydrogen 3.038 N/A THR 231.A N LEU 227.A O no hydrogen 3.150 N/A THR 231.A OG1 LEU 227.A O no hydrogen 3.287 N/A THR 231.A OG1 ARG 228.A O no hydrogen 3.127 N/A MET 232.A N ARG 228.A O no hydrogen 2.924 N/A PHE 233.A N THR 229.A O no hydrogen 2.851 N/A TYR 234.A N VAL 230.A O no hydrogen 3.014 N/A TYR 234.A OH THR 188.A O no hydrogen 2.838 N/A GLY 235.A N THR 231.A O no hydrogen 2.709 N/A GLU 236.A N MET 232.A O no hydrogen 3.016 N/A LYS 237.A N TYR 234.A O no hydrogen 3.098 N/A ILE 238.A N GLY 235.A O no hydrogen 3.024 N/A GLY 239.A N GLU 236.A O no hydrogen 3.266 N/A VAL 240.A N GLY 235.A O no hydrogen 2.994 N/A TYR 242.A N THR 198.A OG1 no hydrogen 3.012 N/A GLY 243.A N THR 231.A O no hydrogen 2.906 N/A GLU 244.A N VAL 195.A O no hydrogen 2.899 N/A PHE 246.A N TYR 193.A O no hydrogen 2.821 N/A ARG 247.A N LEU 185.A O no hydrogen 2.798 N/A ARG 247.A NH1 LYS 190.A O no hydrogen 3.157 N/A ARG 247.A NH1 ILE 263.A OXT no hydrogen 3.041 N/A ARG 247.A NH2 ILE 263.A OXT no hydrogen 2.785 N/A VAL 248.A N ASN 192.A OD1 no hydrogen 2.852 N/A PHE 253.A N PRO 250.A O no hydrogen 2.722 N/A TYR 254.A N GLY 251.A O no hydrogen 3.253 N/A HIS 255.A N LEU 252.A O no hydrogen 3.131 N/A THR 257.A OG1 LEU 252.A O no hydrogen 3.072 N/A THR 257.A OG1 HIS 255.A O no hydrogen 2.767 N/A ALA 260.A N THR 257.A O no hydrogen 3.305 N/A LEU 262.A N PHE 259.A O no hydrogen 3.097 N/A