Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xbc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 70.A O no hydrogen 2.871 N/A ASP 4.A N TYR 28.A OH no hydrogen 3.413 N/A ARG 5.A NE GLU 74.A OE2 no hydrogen 3.431 N/A ARG 5.A NH1 LEU 8.A O no hydrogen 3.374 N/A ARG 5.A NH2 GLU 74.A OE1 no hydrogen 3.527 N/A ARG 5.A NH2 GLU 74.A OE2 no hydrogen 2.693 N/A LYS 6.A N ASP 4.A OD1 no hydrogen 3.099 N/A LEU 7.A N ASP 4.A O no hydrogen 3.013 N/A LEU 8.A N ARG 5.A O no hydrogen 3.352 N/A THR 9.A N TYR 27.A O no hydrogen 2.873 N/A GLU 11.A N LYS 25.A O no hydrogen 2.988 N/A LEU 15.A N VAL 23.A O no hydrogen 2.745 N/A GLY 16.A N VAL 23.A O no hydrogen 3.252 N/A GLY 18.A N GLY 21.A O no hydrogen 3.016 N/A GLY 21.A N GLY 18.A O no hydrogen 3.422 N/A THR 22.A N ILE 41.A O no hydrogen 2.941 N/A VAL 23.A N GLY 16.A O no hydrogen 2.726 N/A LYS 24.A N VAL 39.A O no hydrogen 2.854 N/A LYS 25.A N LYS 13.A O no hydrogen 2.996 N/A GLY 26.A N VAL 37.A O no hydrogen 2.796 N/A TYR 27.A N THR 9.A O no hydrogen 2.779 N/A TYR 28.A N LYS 35.A O no hydrogen 2.776 N/A GLN 29.A N LEU 7.A O no hydrogen 2.984 N/A GLN 29.A NE2 MET 30.A O no hydrogen 2.305 N/A MET 30.A N VAL 33.A O no hydrogen 2.697 N/A LYS 35.A N TYR 28.A O no hydrogen 2.765 N/A VAL 37.A N GLY 26.A O no hydrogen 2.807 N/A ALA 38.A N MET 80.A O no hydrogen 2.849 N/A VAL 39.A N LYS 24.A O no hydrogen 2.766 N/A LYS 40.A N LEU 78.A O no hydrogen 2.758 N/A LYS 40.A NZ GLU 52.A OE1 no hydrogen 2.681 N/A LYS 40.A NZ GLU 52.A OE2 no hydrogen 3.224 N/A ILE 41.A N THR 22.A O no hydrogen 2.649 N/A LEU 42.A N TRP 76.A O no hydrogen 3.140 N/A ASP 47.A N PRO 43.A O no hydrogen 3.281 N/A GLU 48.A N ALA 44.A O no hydrogen 3.310 N/A LEU 49.A N LEU 45.A O no hydrogen 3.091 N/A LEU 50.A N LYS 46.A O no hydrogen 3.028 N/A ALA 51.A N ASP 47.A O no hydrogen 3.098 N/A GLU 52.A N GLU 48.A O no hydrogen 2.794 N/A ALA 53.A N LEU 49.A O no hydrogen 2.737 N/A ASN 54.A N LEU 50.A O no hydrogen 2.997 N/A VAL 55.A N ALA 51.A O no hydrogen 2.964 N/A MET 56.A N GLU 52.A O no hydrogen 2.925 N/A GLN 57.A N ALA 53.A O no hydrogen 2.899 N/A GLN 58.A NE2 ASN 54.A O no hydrogen 2.709 N/A LEU 59.A N MET 56.A O no hydrogen 3.141 N/A ASP 60.A N TYR 116.A OH no hydrogen 2.958 N/A TYR 63.A N ASN 61.A OD1 no hydrogen 2.918 N/A VAL 65.A N ILE 142.A O no hydrogen 2.816 N/A ARG 66.A N GLU 81.A OE1 no hydrogen 2.820 N/A ARG 66.A NH1 ASP 60.A OD2 no hydrogen 2.773 N/A ILE 68.A N VAL 79.A O no hydrogen 2.728 N/A GLY 69.A N VAL 79.A O no hydrogen 3.358 N/A ILE 70.A N VAL 1.A O no hydrogen 2.901 N/A CYS 71.A N MET 77.A O no hydrogen 2.941 N/A ALA 73.A N SER 75.A O no hydrogen 2.972 N/A MET 77.A N CYS 71.A O no hydrogen 2.833 N/A LEU 78.A N LYS 40.A O no hydrogen 2.842 N/A VAL 79.A N GLY 69.A O no hydrogen 2.937 N/A MET 80.A N ALA 38.A O no hydrogen 2.770 N/A GLU 81.A N ARG 66.A O no hydrogen 3.001 N/A LEU 85.A N LEU 134.A O no hydrogen 2.963 N/A GLY 86.A N ALA 83.A O no hydrogen 3.314 N/A LEU 88.A N VAL 132.A O no hydrogen 2.775 N/A TYR 91.A N PRO 87.A O no hydrogen 3.010 N/A LEU 92.A N LEU 88.A O no hydrogen 3.036 N/A GLN 93.A N ASN 89.A O no hydrogen 3.086 N/A GLN 93.A NE2 GLY 201.A O no hydrogen 2.785 N/A GLN 94.A N LYS 90.A O no hydrogen 3.132 N/A GLN 94.A N TYR 91.A O no hydrogen 3.215 N/A ASN 95.A ND2 TYR 91.A O no hydrogen 2.818 N/A ARG 96.A NH1 ARG 96.A O no hydrogen 3.226 N/A VAL 98.A N ASN 95.A O no hydrogen 3.334 N/A ASN 102.A ND2 GLN 137.A O no hydrogen 3.049 N/A ILE 103.A N LYS 99.A O no hydrogen 3.108 N/A ILE 104.A N ASP 100.A O no hydrogen 3.045 N/A GLU 105.A N LYS 101.A O no hydrogen 2.968 N/A LEU 106.A N ASN 102.A O no hydrogen 3.068 N/A VAL 107.A N ILE 103.A O no hydrogen 2.903 N/A HIS 108.A N ILE 104.A O no hydrogen 2.908 N/A HIS 108.A NE2 GLU 255.A OE2 no hydrogen 2.987 N/A GLN 109.A N GLU 105.A O no hydrogen 3.130 N/A GLN 109.A NE2 HIS 138.A O no hydrogen 2.932 N/A VAL 110.A N LEU 106.A O no hydrogen 3.130 N/A SER 111.A N VAL 107.A O no hydrogen 3.094 N/A SER 111.A OG HIS 108.A O no hydrogen 2.543 N/A MET 112.A N HIS 108.A O no hydrogen 3.051 N/A GLY 113.A N GLN 109.A O no hydrogen 3.105 N/A MET 114.A N VAL 110.A O no hydrogen 2.877 N/A LYS 115.A N SER 111.A O no hydrogen 2.796 N/A LYS 115.A NZ GLU 255.A OE1 no hydrogen 2.965 N/A TYR 116.A N MET 112.A O no hydrogen 3.091 N/A LEU 117.A N GLY 113.A O no hydrogen 3.008 N/A GLU 118.A N MET 114.A O no hydrogen 2.896 N/A GLU 119.A N LYS 115.A O no hydrogen 2.936 N/A SER 120.A N TYR 116.A O no hydrogen 2.837 N/A SER 120.A OG TYR 116.A O no hydrogen 2.721 N/A ASN 121.A N GLU 118.A O no hydrogen 2.981 N/A PHE 122.A N LEU 117.A O no hydrogen 2.994 N/A VAL 123.A N LYS 149.A O no hydrogen 2.873 N/A HIS 124.A N ASP 186.A OD2 no hydrogen 2.811 N/A ARG 125.A N ASP 186.A OD1 no hydrogen 3.070 N/A ARG 125.A NH1 LEU 147.A O no hydrogen 2.808 N/A ALA 129.A N GLU 196.A OE1 no hydrogen 2.976 N/A ARG 130.A NH2 ASP 126.A OD1 no hydrogen 3.424 N/A ASN 131.A N ALA 128.A O no hydrogen 2.866 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.951 N/A VAL 132.A N ALA 129.A O no hydrogen 3.233 N/A LEU 133.A N LYS 141.A O no hydrogen 2.776 N/A LEU 134.A N GLY 86.A O no hydrogen 2.884 N/A VAL 135.A N TYR 139.A O no hydrogen 2.781 N/A THR 136.A N TYR 139.A O no hydrogen 3.372 N/A GLN 137.A NE2 ASN 102.A OD1 no hydrogen 2.771 N/A HIS 138.A N THR 136.A OG1 no hydrogen 3.023 N/A HIS 138.A ND1 GLU 105.A OE1 no hydrogen 2.650 N/A TYR 139.A N THR 136.A O no hydrogen 3.156 N/A TYR 139.A OH PRO 62.A O no hydrogen 2.663 N/A ALA 140.A N GLN 109.A OE1 no hydrogen 2.886 N/A LYS 141.A N LEU 133.A O no hydrogen 2.772 N/A LYS 141.A NZ PRO 62.A O no hydrogen 3.523 N/A LYS 141.A NZ ILE 64.A O no hydrogen 3.113 N/A LYS 141.A NZ GLU 81.A OE1 no hydrogen 2.692 N/A ILE 142.A N TYR 63.A O no hydrogen 2.886 N/A SER 143.A N ASN 131.A O no hydrogen 2.864 N/A SER 143.A OG.A ASN 131.A O no hydrogen 2.636 N/A GLY 146.A N ASP 144.A OD1 no hydrogen 3.469 N/A SER 148.A N PHE 145.A O no hydrogen 3.213 N/A SER 148.A OG HIS 124.A O no hydrogen 2.973 N/A LYS 149.A N VAL 123.A O no hydrogen 2.947 N/A LEU 151.A N ASN 121.A O no hydrogen 2.839 N/A ARG 152.A NE ASP 154.A OD1 no hydrogen 3.119 N/A ARG 152.A NH1 ASP 154.A OD1 no hydrogen 3.378 N/A ARG 152.A NH1 ASP 154.A OD2 no hydrogen 2.818 N/A GLU 155.A N ARG 152.A O no hydrogen 3.093 N/A TYR 158.A N PHE 181.A O no hydrogen 2.709 N/A LYS 159.A NZ ALA 160.A O no hydrogen 3.329 N/A ALA 160.A N TYR 179.A O no hydrogen 3.023 N/A HIS 163.A NE2 TYR 179.A OH no hydrogen 3.100 N/A VAL 168.A N TRP 166.A O no hydrogen 2.866 N/A LYS 169.A NZ TYR 205.A O no hydrogen 3.251 N/A LYS 169.A NZ MET 208.A O no hydrogen 2.943 N/A TRP 170.A N PRO 167.A O no hydrogen 2.934 N/A TRP 170.A NE1 GLU 196.A OE1 no hydrogen 2.860 N/A TYR 171.A N VAL 168.A O no hydrogen 2.830 N/A TYR 171.A OH ARG 125.A O no hydrogen 2.633 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.786 N/A CYS 175.A N ALA 172.A O no hydrogen 3.085 N/A CYS 175.A SG LYS 180.A O no hydrogen 3.684 N/A ILE 176.A N ALA 172.A O no hydrogen 3.260 N/A ASN 177.A N PRO 173.A O no hydrogen 2.876 N/A TYR 178.A N GLU 174.A O no hydrogen 3.057 N/A LYS 180.A N GLU 174.A O no hydrogen 3.178 N/A PHE 181.A N TYR 158.A O no hydrogen 2.864 N/A SER 182.A N SER 185.A OG no hydrogen 2.928 N/A SER 182.A OG SER 185.A OG no hydrogen 3.349 N/A LYS 184.A N SER 182.A OG no hydrogen 3.196 N/A LYS 184.A NZ VAL 245.A O no hydrogen 3.393 N/A LYS 184.A NZ ARG 248.A O no hydrogen 2.779 N/A SER 185.A N SER 182.A OG no hydrogen 3.342 N/A SER 185.A OG GLU 174.A OE2 no hydrogen 2.816 N/A SER 185.A OG SER 182.A OG no hydrogen 3.349 N/A ASP 186.A N SER 182.A O no hydrogen 3.333 N/A VAL 187.A N SER 183.A O no hydrogen 3.018 N/A TRP 188.A N LYS 184.A O no hydrogen 3.215 N/A SER 189.A N SER 185.A O no hydrogen 3.281 N/A SER 189.A OG TRP 170.A O no hydrogen 2.687 N/A SER 189.A OG SER 185.A O no hydrogen 3.205 N/A PHE 190.A N ASP 186.A O no hydrogen 2.690 N/A GLY 191.A N VAL 187.A O no hydrogen 3.005 N/A VAL 192.A N TRP 188.A O no hydrogen 3.294 N/A LEU 193.A N SER 189.A O no hydrogen 2.890 N/A MET 194.A N PHE 190.A O no hydrogen 2.854 N/A TRP 195.A N GLY 191.A O no hydrogen 3.010 N/A TRP 195.A NE1 GLY 224.A O no hydrogen 2.912 N/A GLU 196.A N VAL 192.A O no hydrogen 2.869 N/A ALA 197.A N LEU 193.A O no hydrogen 2.890 N/A PHE 198.A N MET 194.A O no hydrogen 3.012 N/A SER 199.A N TRP 195.A O no hydrogen 2.923 N/A SER 199.A OG TRP 195.A O no hydrogen 2.716 N/A TYR 200.A N ALA 197.A O no hydrogen 3.014 N/A TYR 200.A OH VAL 98.A O no hydrogen 2.729 N/A GLY 201.A N GLU 196.A O no hydrogen 2.806 N/A GLN 202.A N SER 199.A O no hydrogen 3.312 N/A MET 208.A N TYR 205.A O no hydrogen 3.193 N/A LYS 209.A N GLU 212.A OE1 no hydrogen 3.180 N/A VAL 213.A N LYS 209.A O no hydrogen 3.044 N/A THR 214.A N GLY 210.A O no hydrogen 3.188 N/A ALA 215.A N SER 211.A O no hydrogen 3.176 N/A MET 216.A N GLU 212.A O no hydrogen 3.092 N/A LEU 217.A N VAL 213.A O no hydrogen 2.882 N/A GLU 218.A N THR 214.A O no hydrogen 3.024 N/A LYS 219.A N ALA 215.A O no hydrogen 3.214 N/A LYS 219.A N MET 216.A O no hydrogen 3.174 N/A LYS 219.A NZ GLU 221.A OE2 no hydrogen 2.588 N/A GLY 220.A N LEU 217.A O no hydrogen 2.940 N/A GLU 221.A N MET 216.A O no hydrogen 3.174 N/A ARG 222.A NE TRP 241.A O no hydrogen 3.073 N/A ARG 222.A NH1 LEU 217.A O no hydrogen 3.099 N/A ARG 222.A NH1 GLU 221.A O no hydrogen 3.066 N/A ARG 222.A NH2 TRP 241.A O no hydrogen 3.064 N/A CYS 225.A SG PRO 226.A O no hydrogen 3.691 N/A CYS 225.A SG CYS 229.A O no hydrogen 3.581 N/A CYS 229.A N PRO 226.A O no hydrogen 3.064 N/A CYS 229.A SG PRO 230.A O no hydrogen 3.717 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.778 N/A MET 233.A N PRO 230.A O no hydrogen 2.909 N/A TYR 234.A N PRO 230.A O no hydrogen 3.089 N/A TYR 234.A OH MET 223.A O no hydrogen 2.558 N/A ASP 235.A N ARG 231.A O no hydrogen 2.947 N/A LEU 236.A N GLU 232.A O no hydrogen 3.311 N/A MET 237.A N MET 233.A O no hydrogen 3.022 N/A ASN 238.A N TYR 234.A O no hydrogen 3.003 N/A ASN 238.A ND2 TYR 234.A O no hydrogen 3.424 N/A LEU 239.A N ASP 235.A O no hydrogen 3.079 N/A CYS 240.A N LEU 236.A O no hydrogen 2.958 N/A CYS 240.A SG LEU 236.A O no hydrogen 3.344 N/A TRP 241.A N MET 237.A O no hydrogen 3.173 N/A TRP 241.A N ASN 238.A O no hydrogen 2.997 N/A THR 242.A N LEU 239.A O no hydrogen 3.255 N/A THR 242.A OG1 LEU 239.A O no hydrogen 2.618 N/A ASN 247.A N ASP 244.A O no hydrogen 3.099 N/A ARG 248.A N VAL 245.A O no hydrogen 2.984 N/A ARG 248.A NE THR 242.A O no hydrogen 2.766 N/A ARG 248.A NH1 GLU 174.A OE1 no hydrogen 3.438 N/A ARG 248.A NH1 GLU 174.A OE2 no hydrogen 2.640 N/A ARG 248.A NH1 LYS 184.A O no hydrogen 2.842 N/A ARG 248.A NH2 GLU 174.A OE1 no hydrogen 2.863 N/A ARG 248.A NH2 THR 242.A O no hydrogen 3.118 N/A ARG 248.A NH2 TYR 243.A O no hydrogen 3.127 N/A PHE 251.A N GLU 118.A OE2 no hydrogen 3.011 N/A VAL 254.A N GLY 250.A O no hydrogen 3.087 N/A GLU 255.A N PHE 251.A O no hydrogen 2.709 N/A LEU 256.A N ALA 252.A O no hydrogen 3.079 N/A ARG 257.A N ALA 253.A O no hydrogen 3.036 N/A LEU 258.A N VAL 254.A O no hydrogen 3.020 N/A ARG 259.A N GLU 255.A O no hydrogen 2.805 N/A ARG 259.A NE GLU 255.A OE2 no hydrogen 3.067 N/A ARG 259.A NH2 GLU 255.A OE1 no hydrogen 2.887 N/A ASN 260.A N LEU 256.A O no hydrogen 2.938 N/A TYR 261.A N ARG 257.A O no hydrogen 3.233 N/A TYR 262.A N LEU 258.A O no hydrogen 2.999 N/A TYR 263.A N ARG 259.A O no hydrogen 3.345 N/A ASP 264.A N ASN 260.A O no hydrogen 3.205 N/A VAL 265.A N TYR 261.A O no hydrogen 3.011 N/A VAL 266.A N TYR 262.A O no hydrogen 2.787 N/A ASN 267.A N TYR 263.A O no hydrogen 2.991 N/A