Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bib_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH TYR 6.A OH no hydrogen 3.249 N/A TYR 4.A OH GLU 69.A OE1 no hydrogen 3.151 N/A ASP 5.A N ARG 29.A O no hydrogen 3.225 N/A TYR 6.A N ASP 5.A OD1 no hydrogen 2.922 N/A TYR 6.A OH GLU 41.A OE2 no hydrogen 2.442 N/A GLU 7.A N ALA 27.A O no hydrogen 2.855 N/A ASP 9.A N ASP 13.A O no hydrogen 2.827 N/A ASN 11.A N ASP 9.A OD1 no hydrogen 3.157 N/A GLY 12.A N ASP 9.A O no hydrogen 2.970 N/A ASP 13.A N ASP 9.A OD1 no hydrogen 2.816 N/A ARG 14.A NH1 GLU 41.A OE1 no hydrogen 2.874 N/A VAL 15.A N GLU 7.A O no hydrogen 2.932 N/A LEU 17.A N VAL 25.A O no hydrogen 2.731 N/A GLY 18.A N VAL 25.A O no hydrogen 3.493 N/A GLY 20.A N GLY 23.A O no hydrogen 2.801 N/A VAL 25.A N GLY 18.A O no hydrogen 2.838 N/A TYR 26.A N ILE 39.A O no hydrogen 2.827 N/A ALA 27.A N VAL 15.A O no hydrogen 2.935 N/A GLY 28.A N ILE 37.A O no hydrogen 2.848 N/A ARG 29.A N ASP 5.A O no hydrogen 2.930 N/A ASP 30.A N VAL 35.A O no hydrogen 2.758 N/A LEU 31.A N GLU 3.A O no hydrogen 3.150 N/A SER 32.A N ASP 30.A OD1 no hydrogen 3.089 N/A SER 32.A OG ASP 30.A OD1 no hydrogen 2.867 N/A ASN 33.A N ASP 30.A O no hydrogen 3.468 N/A GLN 34.A N ASP 30.A O no hydrogen 2.769 N/A VAL 35.A N ASN 33.A OD1 no hydrogen 3.009 N/A ILE 37.A N GLY 28.A O no hydrogen 2.994 N/A ALA 38.A N MET 77.A O no hydrogen 2.763 N/A ILE 39.A N TYR 26.A O no hydrogen 2.731 N/A LYS 40.A N ILE 75.A O no hydrogen 2.842 N/A GLU 41.A N ILE 24.A O no hydrogen 2.723 N/A ILE 42.A N ILE 73.A O no hydrogen 2.920 N/A GLU 44.A N GLY 71.A O no hydrogen 3.297 N/A ILE 49.A N LEU 45.A O no hydrogen 2.880 N/A LEU 51.A N GLU 47.A O no hydrogen 3.110 N/A HIS 52.A N GLU 48.A O no hydrogen 3.323 N/A HIS 52.A NE2 VAL 61.A O no hydrogen 2.812 N/A LYS 53.A N ILE 49.A O no hydrogen 2.909 N/A LEU 55.A N HIS 52.A O no hydrogen 3.180 N/A LYS 56.A N TYR 116.A OH no hydrogen 2.840 N/A ASN 59.A N HIS 57.A ND1 no hydrogen 2.926 N/A ASN 59.A ND2 GLN 109.A OE1 no hydrogen 3.077 N/A ASN 59.A ND2 LEU 141.A O no hydrogen 2.778 N/A ILE 60.A N HIS 57.A O no hydrogen 3.353 N/A VAL 61.A N ILE 143.A O no hydrogen 3.010 N/A GLN 62.A N GLU 78.A OE2 no hydrogen 2.702 N/A GLN 62.A NE2 LEU 55.A O no hydrogen 3.543 N/A GLN 62.A NE2 TYR 63.A O no hydrogen 3.364 N/A TYR 63.A OH SER 66.A OG no hydrogen 2.734 N/A LEU 64.A N PHE 76.A O no hydrogen 2.637 N/A GLY 65.A N PHE 76.A O no hydrogen 3.357 N/A SER 66.A OG TYR 63.A OH no hydrogen 2.734 N/A PHE 67.A N LYS 74.A O no hydrogen 3.063 N/A SER 68.A OG GLU 44.A OE1 no hydrogen 3.366 N/A SER 68.A OG GLU 44.A OE2 no hydrogen 2.843 N/A GLU 69.A N PHE 72.A O no hydrogen 2.974 N/A PHE 72.A N GLU 69.A O no hydrogen 2.751 N/A ILE 73.A N ILE 42.A O no hydrogen 2.914 N/A LYS 74.A N PHE 67.A O no hydrogen 2.821 N/A LYS 74.A NZ TYR 6.A OH no hydrogen 3.136 N/A LYS 74.A NZ GLU 69.A OE1 no hydrogen 2.760 N/A LYS 74.A NZ ASN 70.A OD1 no hydrogen 2.871 N/A ILE 75.A N LYS 40.A O no hydrogen 2.847 N/A PHE 76.A N GLY 65.A O no hydrogen 2.779 N/A MET 77.A N ALA 38.A O no hydrogen 2.919 N/A GLU 78.A N GLN 62.A O no hydrogen 3.004 N/A GLY 83.A N ILE 134.A O no hydrogen 3.197 N/A SER 84.A OG SER 86.A OG no hydrogen 3.298 N/A LEU 85.A N VAL 132.A O no hydrogen 2.843 N/A SER 86.A N GLY 129.A O no hydrogen 3.156 N/A SER 86.A OG SER 84.A OG no hydrogen 3.298 N/A SER 86.A OG ASP 130.A OD1 no hydrogen 2.406 N/A ALA 87.A N SER 84.A OG no hydrogen 3.145 N/A LEU 88.A N SER 84.A O no hydrogen 2.961 N/A LEU 89.A N LEU 85.A O no hydrogen 2.910 N/A ARG 90.A N SER 86.A O no hydrogen 3.061 N/A SER 91.A N ALA 87.A O no hydrogen 2.919 N/A SER 91.A OG ALA 87.A O no hydrogen 3.492 N/A LYS 92.A N LEU 88.A O no hydrogen 2.860 N/A TRP 93.A N LEU 88.A O no hydrogen 2.800 N/A GLY 94.A N LEU 89.A O no hydrogen 2.696 N/A LEU 96.A N MET 189.A O no hydrogen 2.844 N/A LYS 97.A N ALA 190.A O no hydrogen 3.068 N/A ASN 99.A N LEU 96.A O no hydrogen 2.723 N/A THR 102.A N ASN 99.A OD1 no hydrogen 3.081 N/A THR 102.A OG1 ASN 99.A OD1 no hydrogen 2.741 N/A ILE 103.A N ASN 99.A O no hydrogen 3.217 N/A GLY 104.A N GLU 100.A O no hydrogen 2.768 N/A PHE 105.A N GLN 101.A O no hydrogen 2.907 N/A TYR 106.A N THR 102.A O no hydrogen 3.029 N/A THR 107.A N ILE 103.A O no hydrogen 2.747 N/A THR 107.A OG1 ILE 103.A O no hydrogen 2.744 N/A LYS 108.A N GLY 104.A O no hydrogen 3.134 N/A GLN 109.A NE2 PHE 105.A O no hydrogen 3.475 N/A GLN 109.A NE2 GLY 139.A O no hydrogen 2.772 N/A ILE 110.A N TYR 106.A O no hydrogen 3.167 N/A LEU 111.A N THR 107.A O no hydrogen 2.996 N/A GLU 112.A N LYS 108.A O no hydrogen 2.906 N/A GLY 113.A N GLN 109.A O no hydrogen 3.012 N/A LEU 114.A N ILE 110.A O no hydrogen 2.778 N/A LYS 115.A N LEU 111.A O no hydrogen 2.603 N/A LYS 115.A NZ ASP 119.A OD2 no hydrogen 2.721 N/A LYS 115.A NZ ASN 245.A OD1 no hydrogen 2.890 N/A TYR 116.A N GLU 112.A O no hydrogen 3.065 N/A LEU 117.A N GLY 113.A O no hydrogen 3.074 N/A HIS 118.A N LEU 114.A O no hydrogen 2.677 N/A HIS 118.A NE2 ASP 178.A OD2 no hydrogen 2.736 N/A ASP 119.A N LYS 115.A O no hydrogen 2.700 N/A ASN 120.A N TYR 116.A O no hydrogen 3.252 N/A ASN 120.A N LEU 117.A O no hydrogen 3.189 N/A ASN 120.A ND2 TYR 116.A O no hydrogen 2.807 N/A GLN 121.A N HIS 118.A O no hydrogen 2.866 N/A GLN 121.A NE2 ASP 119.A O no hydrogen 3.383 N/A ILE 122.A N LEU 117.A O no hydrogen 2.813 N/A VAL 123.A N LYS 150.A O no hydrogen 3.050 N/A HIS 124.A N ASP 178.A OD2 no hydrogen 2.837 N/A HIS 124.A NE2 SER 144.A O no hydrogen 2.659 N/A ARG 125.A N ASP 178.A OD1 no hydrogen 2.812 N/A ARG 125.A NE THR 148.A O no hydrogen 3.017 N/A ARG 125.A NH2 THR 148.A O no hydrogen 2.907 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 3.052 N/A LYS 128.A NZ THR 157.A OG1 no hydrogen 3.032 N/A GLY 129.A N GLU 188.A OE1 no hydrogen 3.091 N/A ASN 131.A N LYS 128.A O no hydrogen 2.980 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.834 N/A LEU 133.A N LYS 142.A O no hydrogen 2.683 N/A ILE 134.A N GLY 83.A O no hydrogen 2.798 N/A ASN 135.A N VAL 140.A O no hydrogen 2.799 N/A THR 136.A N PRO 81.A O no hydrogen 2.894 N/A THR 136.A OG1 PRO 81.A O no hydrogen 3.516 N/A TYR 137.A N ASN 135.A OD1 no hydrogen 2.979 N/A SER 138.A N ASN 135.A OD1 no hydrogen 3.014 N/A GLY 139.A N ASN 135.A O no hydrogen 2.770 N/A VAL 140.A N SER 138.A OG no hydrogen 3.409 N/A LEU 141.A N GLN 109.A OE1 no hydrogen 2.835 N/A LYS 142.A N LEU 133.A O no hydrogen 2.651 N/A LYS 142.A NZ LYS 58.A O.A no hydrogen 2.866 N/A LYS 142.A NZ LYS 58.A O.B no hydrogen 2.807 N/A LYS 142.A NZ GLU 78.A OE2 no hydrogen 3.489 N/A ILE 143.A N ASN 59.A O no hydrogen 2.795 N/A SER 144.A N ASN 131.A O no hydrogen 2.827 N/A SER 144.A OG ASP 145.A OD1 no hydrogen 2.730 N/A THR 148.A OG1 HIS 124.A O no hydrogen 2.917 N/A THR 148.A OG1 ASP 145.A O no hydrogen 3.165 N/A SER 149.A OG PHE 146.A O no hydrogen 2.807 N/A LYS 150.A N VAL 123.A O no hydrogen 3.225 N/A GLY 156.A N TYR 173.A OH no hydrogen 2.865 N/A THR 157.A N ASP 126.A OD1 no hydrogen 3.052 N/A THR 157.A OG1 ASP 126.A OD1 no hydrogen 2.644 N/A THR 157.A OG1 ASP 126.A OD2 no hydrogen 3.439 N/A GLN 159.A N GLN 159.A OE1 no hydrogen 2.872 N/A TYR 160.A N THR 157.A O no hydrogen 3.146 N/A TYR 160.A OH GLU 188.A OE1 no hydrogen 2.715 N/A MET 161.A N LEU 158.A O no hydrogen 3.310 N/A ILE 165.A N ALA 162.A O no hydrogen 3.086 N/A ASP 167.A N PRO 163.A O no hydrogen 2.982 N/A LYS 168.A N GLU 164.A O no hydrogen 2.849 N/A GLY 169.A N ILE 165.A O no hydrogen 2.745 N/A GLY 172.A N GLY 169.A O no hydrogen 2.873 N/A TYR 173.A N PRO 170.A O no hydrogen 3.001 N/A LYS 175.A NZ HIS 118.A O no hydrogen 3.182 N/A LYS 175.A NZ GLN 121.A OE1 no hydrogen 3.255 N/A ALA 177.A N GLY 174.A O no hydrogen 3.138 N/A ASP 178.A N LYS 175.A O no hydrogen 3.043 N/A TRP 180.A N ALA 176.A O no hydrogen 3.264 N/A SER 181.A N ALA 177.A O no hydrogen 3.234 N/A SER 181.A OG TYR 160.A O no hydrogen 2.873 N/A SER 181.A OG ALA 177.A O no hydrogen 3.122 N/A LEU 182.A N ASP 178.A O no hydrogen 2.792 N/A GLY 183.A N ILE 179.A O no hydrogen 3.019 N/A CYS 184.A N TRP 180.A O no hydrogen 3.008 N/A CYS 184.A SG GLN 159.A O no hydrogen 3.797 N/A CYS 184.A SG TRP 180.A O no hydrogen 3.539 N/A THR 185.A N SER 181.A O no hydrogen 2.928 N/A THR 185.A OG1 SER 181.A O no hydrogen 2.730 N/A ILE 186.A N LEU 182.A O no hydrogen 2.824 N/A ILE 187.A N GLY 183.A O no hydrogen 3.070 N/A GLU 188.A N CYS 184.A O no hydrogen 2.974 N/A MET 189.A N THR 185.A O no hydrogen 2.897 N/A ALA 190.A N ILE 186.A O no hydrogen 2.849 N/A THR 191.A N ILE 187.A O no hydrogen 2.756 N/A THR 191.A OG1 ILE 187.A O no hydrogen 3.061 N/A GLY 192.A N GLU 188.A O no hydrogen 2.733 N/A LYS 193.A N THR 191.A OG1 no hydrogen 3.326 N/A TYR 197.A N PRO 194.A O no hydrogen 3.257 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.839 N/A LEU 199.A N PHE 196.A O no hydrogen 3.038 N/A GLY 200.A N TYR 197.A O no hydrogen 3.228 N/A ALA 204.A N GLU 201.A O no hydrogen 3.194 N/A ALA 205.A N PRO 202.A O no hydrogen 3.265 N/A PHE 207.A N GLN 203.A O no hydrogen 3.040 N/A LYS 208.A N ALA 204.A O no hydrogen 3.201 N/A VAL 209.A N ALA 205.A O no hydrogen 2.945 N/A GLY 210.A N MET 206.A O no hydrogen 2.949 N/A MET 211.A N PHE 207.A O no hydrogen 2.863 N/A PHE 212.A N LYS 208.A O no hydrogen 2.755 N/A LYS 213.A N VAL 209.A O no hydrogen 2.907 N/A LYS 213.A NZ ASP 167.A OD2 no hydrogen 3.288 N/A LYS 213.A NZ GLY 210.A O no hydrogen 2.611 N/A HIS 215.A ND1 PRO 216.A O no hydrogen 2.550 N/A MET 222.A N PRO 219.A O no hydrogen 3.077 N/A SER 223.A N GLU 100.A OE2 no hydrogen 2.895 N/A SER 223.A OG GLU 100.A OE1 no hydrogen 2.659 N/A SER 223.A OG GLU 225.A OE1 no hydrogen 3.259 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.760 N/A ALA 226.A N SER 223.A OG no hydrogen 3.083 N/A LYS 227.A N SER 223.A O no hydrogen 2.952 N/A LYS 227.A NZ GLU 220.A O no hydrogen 2.570 N/A LYS 227.A NZ MET 222.A O no hydrogen 3.513 N/A ALA 228.A N ALA 224.A O no hydrogen 2.840 N/A PHE 229.A N GLU 225.A O no hydrogen 3.122 N/A ILE 230.A N ALA 226.A O no hydrogen 2.850 N/A LEU 231.A N LYS 227.A O no hydrogen 2.817 N/A LYS 232.A N ALA 228.A O no hydrogen 3.225 N/A LYS 232.A NZ ALA 228.A O no hydrogen 3.564 N/A LYS 232.A NZ ASP 250.A OD2 no hydrogen 2.878 N/A CYS 233.A N ILE 230.A O no hydrogen 2.892 N/A CYS 233.A SG PHE 229.A O no hydrogen 3.947 N/A PHE 234.A N LEU 231.A O no hydrogen 3.025 N/A ASP 237.A N GLU 235.A OE2 no hydrogen 3.007 N/A ASP 239.A N ASP 237.A OD1 no hydrogen 3.256 N/A LYS 240.A N ASP 237.A O no hydrogen 2.823 N/A ARG 241.A N ASP 237.A O no hydrogen 2.957 N/A ARG 241.A NE GLU 235.A O no hydrogen 2.742 N/A ARG 241.A NH1 GLU 164.A OE1 no hydrogen 3.283 N/A ARG 241.A NH1 GLU 164.A OE2 no hydrogen 3.554 N/A ARG 241.A NH1 ALA 176.A O no hydrogen 2.723 N/A ARG 241.A NH2 GLU 164.A OE2 no hydrogen 2.746 N/A ARG 241.A NH2 GLU 235.A O no hydrogen 2.867 N/A CYS 243.A N ASP 246.A OD2 no hydrogen 3.099 N/A CYS 243.A SG ASP 246.A OD2 no hydrogen 3.190 N/A LEU 247.A N CYS 243.A O no hydrogen 3.143 N/A LEU 248.A N ALA 244.A O no hydrogen 2.907 N/A VAL 249.A N ASP 246.A O no hydrogen 3.260 N/A ASP 250.A N LEU 247.A O no hydrogen 3.205 N/A PHE 252.A N ASP 250.A OD1 no hydrogen 3.088 N/A LEU 253.A N ASP 250.A O no hydrogen 3.018 N/A LYS 254.A N GLU 251.A O no hydrogen 3.036 N/A LYS 254.A NZ PHE 252.A O no hydrogen 3.046 N/A