Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bic_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH TYR 6.A OH no hydrogen 3.312 N/A TYR 4.A OH GLU 72.A OE1 no hydrogen 2.801 N/A ASP 5.A N ARG 29.A O no hydrogen 3.146 N/A TYR 6.A N ASP 5.A OD1 no hydrogen 3.268 N/A TYR 6.A OH GLU 41.A OE2 no hydrogen 2.418 N/A GLU 7.A N ALA 27.A O no hydrogen 2.863 N/A ASP 9.A N ASP 13.A O no hydrogen 2.933 N/A ASN 11.A N ASP 9.A OD1 no hydrogen 2.843 N/A GLY 12.A N ASP 9.A O no hydrogen 2.850 N/A ASP 13.A N ASP 9.A OD1 no hydrogen 3.046 N/A ARG 14.A NH1 GLU 41.A OE1 no hydrogen 2.796 N/A VAL 15.A N GLU 7.A O no hydrogen 2.958 N/A LEU 17.A N VAL 25.A O no hydrogen 2.738 N/A GLY 18.A N VAL 25.A O no hydrogen 3.491 N/A GLY 20.A N GLY 23.A O no hydrogen 2.925 N/A VAL 25.A N GLY 18.A O no hydrogen 2.882 N/A TYR 26.A N ILE 39.A O no hydrogen 2.953 N/A ALA 27.A N VAL 15.A O no hydrogen 2.933 N/A GLY 28.A N ILE 37.A O no hydrogen 2.794 N/A ARG 29.A N ASP 5.A O no hydrogen 2.922 N/A ASP 30.A N VAL 35.A O no hydrogen 2.751 N/A LEU 31.A N GLU 3.A O no hydrogen 2.855 N/A SER 32.A N ASP 30.A OD1 no hydrogen 3.205 N/A SER 32.A OG ASP 30.A OD1 no hydrogen 3.043 N/A SER 32.A OG ASP 30.A OD2 no hydrogen 3.515 N/A ASN 33.A N ASP 30.A O no hydrogen 3.322 N/A GLN 34.A N ASP 30.A O no hydrogen 2.668 N/A VAL 35.A N ASN 33.A OD1 no hydrogen 3.030 N/A ILE 37.A N GLY 28.A O no hydrogen 3.051 N/A ALA 38.A N MET 80.A O no hydrogen 2.725 N/A ILE 39.A N TYR 26.A O no hydrogen 2.764 N/A LYS 40.A N ILE 78.A O no hydrogen 2.715 N/A GLU 41.A N ILE 24.A O no hydrogen 2.843 N/A ILE 42.A N ILE 76.A O no hydrogen 2.941 N/A GLU 44.A N GLY 74.A O no hydrogen 3.235 N/A HIS 49.A N SER 45.A O no hydrogen 3.252 N/A GLU 50.A N GLN 46.A O no hydrogen 3.164 N/A GLU 51.A N PRO 47.A O no hydrogen 3.017 N/A ALA 53.A N HIS 49.A O no hydrogen 3.097 N/A LEU 54.A N GLU 50.A O no hydrogen 2.858 N/A HIS 55.A N GLU 51.A O no hydrogen 3.075 N/A HIS 55.A NE2 VAL 64.A O no hydrogen 2.764 N/A LYS 56.A N ILE 52.A O no hydrogen 2.924 N/A HIS 57.A N LEU 54.A O no hydrogen 3.208 N/A LEU 58.A N HIS 55.A O no hydrogen 3.323 N/A LYS 59.A N TYR 119.A OH no hydrogen 2.891 N/A LYS 61.A NZ ASN 62.A OD1 no hydrogen 2.835 N/A LYS 61.A NZ GLU 115.A OE1 no hydrogen 2.967 N/A ASN 62.A N HIS 60.A ND1 no hydrogen 2.908 N/A ASN 62.A ND2 GLN 112.A OE1 no hydrogen 3.217 N/A ASN 62.A ND2 LEU 144.A O no hydrogen 2.707 N/A ILE 63.A N HIS 60.A O no hydrogen 3.162 N/A VAL 64.A N ILE 146.A O no hydrogen 3.052 N/A GLN 65.A N GLU 81.A OE2 no hydrogen 2.671 N/A GLN 65.A NE2 LEU 58.A O no hydrogen 3.386 N/A GLN 65.A NE2 TYR 66.A O no hydrogen 3.230 N/A TYR 66.A OH SER 69.A OG no hydrogen 2.597 N/A LEU 67.A N PHE 79.A O no hydrogen 2.699 N/A GLY 68.A N PHE 79.A O no hydrogen 3.453 N/A SER 69.A OG TYR 66.A OH no hydrogen 2.597 N/A PHE 70.A N LYS 77.A O no hydrogen 3.219 N/A SER 71.A OG GLU 44.A OE2 no hydrogen 2.666 N/A SER 71.A OG PHE 75.A O no hydrogen 3.485 N/A GLU 72.A N PHE 75.A O no hydrogen 2.900 N/A PHE 75.A N GLU 72.A O no hydrogen 2.769 N/A ILE 76.A N ILE 42.A O no hydrogen 2.834 N/A LYS 77.A N PHE 70.A O no hydrogen 2.922 N/A LYS 77.A NZ TYR 4.A OH no hydrogen 2.654 N/A LYS 77.A NZ TYR 6.A OH no hydrogen 2.991 N/A LYS 77.A NZ GLU 72.A OE1 no hydrogen 3.013 N/A LYS 77.A NZ ASN 73.A OD1 no hydrogen 2.782 N/A ILE 78.A N LYS 40.A O no hydrogen 2.744 N/A PHE 79.A N GLY 68.A O no hydrogen 2.814 N/A MET 80.A N ALA 38.A O no hydrogen 2.865 N/A GLU 81.A N GLN 65.A O no hydrogen 3.033 N/A GLY 86.A N ILE 137.A O no hydrogen 3.169 N/A SER 87.A OG SER 89.A OG no hydrogen 3.246 N/A LEU 88.A N VAL 135.A O no hydrogen 2.829 N/A SER 89.A N GLY 132.A O no hydrogen 3.295 N/A SER 89.A OG SER 87.A OG no hydrogen 3.246 N/A SER 89.A OG ASP 133.A OD1 no hydrogen 2.514 N/A ALA 90.A N SER 87.A OG no hydrogen 3.118 N/A LEU 91.A N SER 87.A O no hydrogen 3.013 N/A LEU 92.A N LEU 88.A O no hydrogen 2.951 N/A ARG 93.A N SER 89.A O no hydrogen 2.904 N/A SER 94.A N ALA 90.A O no hydrogen 2.842 N/A SER 94.A OG ALA 90.A O no hydrogen 3.184 N/A LYS 95.A N LEU 91.A O no hydrogen 2.848 N/A TRP 96.A N LEU 91.A O no hydrogen 2.958 N/A GLY 97.A N LEU 92.A O no hydrogen 2.881 N/A LEU 99.A N MET 194.A O no hydrogen 2.881 N/A LYS 100.A N ALA 195.A O no hydrogen 3.094 N/A ASN 102.A N LEU 99.A O no hydrogen 2.766 N/A THR 105.A N ASN 102.A OD1 no hydrogen 3.005 N/A ILE 106.A N ASN 102.A O no hydrogen 3.152 N/A GLY 107.A N GLU 103.A O no hydrogen 2.971 N/A PHE 108.A N GLN 104.A O no hydrogen 2.823 N/A TYR 109.A N THR 105.A O no hydrogen 3.141 N/A THR 110.A N ILE 106.A O no hydrogen 2.798 N/A THR 110.A OG1 ILE 106.A O no hydrogen 2.661 N/A LYS 111.A N GLY 107.A O no hydrogen 3.040 N/A GLN 112.A NE2 PHE 108.A O no hydrogen 3.263 N/A GLN 112.A NE2 GLY 142.A O no hydrogen 2.861 N/A ILE 113.A N TYR 109.A O no hydrogen 3.184 N/A LEU 114.A N THR 110.A O no hydrogen 3.066 N/A GLU 115.A N LYS 111.A O no hydrogen 2.835 N/A GLY 116.A N GLN 112.A O no hydrogen 2.974 N/A LEU 117.A N ILE 113.A O no hydrogen 2.757 N/A LYS 118.A N LEU 114.A O no hydrogen 2.683 N/A LYS 118.A NZ ASP 122.A OD2 no hydrogen 2.914 N/A TYR 119.A N GLU 115.A O no hydrogen 3.226 N/A LEU 120.A N GLY 116.A O no hydrogen 3.095 N/A HIS 121.A N LEU 117.A O no hydrogen 2.883 N/A HIS 121.A NE2 ASP 183.A OD2 no hydrogen 2.734 N/A ASP 122.A N LYS 118.A O no hydrogen 2.845 N/A ASN 123.A N TYR 119.A O no hydrogen 3.262 N/A ASN 123.A N LEU 120.A O no hydrogen 3.026 N/A GLN 124.A N HIS 121.A O no hydrogen 2.900 N/A GLN 124.A NE2 ASP 122.A O no hydrogen 3.117 N/A ILE 125.A N LEU 120.A O no hydrogen 2.808 N/A VAL 126.A N LYS 153.A O no hydrogen 3.178 N/A HIS 127.A N ASP 183.A OD2 no hydrogen 2.809 N/A HIS 127.A NE2 SER 147.A O no hydrogen 3.320 N/A ARG 128.A N ASP 183.A OD1 no hydrogen 2.868 N/A ARG 128.A NE THR 151.A O no hydrogen 2.936 N/A ARG 128.A NH2 THR 151.A O no hydrogen 2.852 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.080 N/A LYS 131.A NZ THR 162.A OG1 no hydrogen 3.070 N/A GLY 132.A N GLU 193.A OE1 no hydrogen 3.033 N/A ASN 134.A N LYS 131.A O no hydrogen 3.146 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.922 N/A VAL 135.A N GLY 132.A O no hydrogen 3.390 N/A LEU 136.A N LYS 145.A O no hydrogen 2.703 N/A ILE 137.A N GLY 86.A O no hydrogen 2.833 N/A ASN 138.A N VAL 143.A O no hydrogen 2.889 N/A THR 139.A N PRO 84.A O no hydrogen 3.027 N/A TYR 140.A N ASN 138.A OD1 no hydrogen 2.926 N/A SER 141.A N ASN 138.A OD1 no hydrogen 2.992 N/A GLY 142.A N ASN 138.A O no hydrogen 2.761 N/A VAL 143.A N SER 141.A OG no hydrogen 3.417 N/A LEU 144.A N GLN 112.A OE1 no hydrogen 2.734 N/A LYS 145.A N LEU 136.A O no hydrogen 2.573 N/A LYS 145.A NZ LYS 61.A O no hydrogen 3.228 N/A LYS 145.A NZ ILE 63.A O no hydrogen 3.490 N/A LYS 145.A NZ GLU 81.A OE1 no hydrogen 3.568 N/A LYS 145.A NZ GLU 81.A OE2 no hydrogen 2.806 N/A ILE 146.A N ASN 62.A O no hydrogen 2.662 N/A SER 147.A N ASN 134.A O no hydrogen 2.868 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 3.071 N/A THR 151.A OG1 HIS 127.A O no hydrogen 2.599 N/A SER 152.A OG PHE 149.A O no hydrogen 2.725 N/A LYS 153.A N VAL 126.A O no hydrogen 3.282 N/A LEU 155.A N GLN 124.A O no hydrogen 2.733 N/A GLY 157.A N ARG 154.A O no hydrogen 3.028 N/A GLY 161.A N TYR 178.A OH no hydrogen 2.912 N/A THR 162.A N ASP 129.A OD1 no hydrogen 3.164 N/A THR 162.A OG1 ASP 129.A OD1 no hydrogen 2.499 N/A THR 162.A OG1 ASP 129.A OD2 no hydrogen 3.407 N/A GLN 164.A N GLN 164.A OE1 no hydrogen 2.863 N/A TYR 165.A N THR 162.A O no hydrogen 2.941 N/A TYR 165.A OH GLU 193.A OE1 no hydrogen 2.631 N/A MET 166.A N LEU 163.A O no hydrogen 3.166 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.797 N/A ILE 170.A N ALA 167.A O no hydrogen 3.030 N/A ASP 172.A N PRO 168.A O no hydrogen 2.945 N/A LYS 173.A N GLU 169.A O no hydrogen 3.172 N/A GLY 174.A N ILE 170.A O no hydrogen 2.892 N/A GLY 177.A N GLY 174.A O no hydrogen 2.740 N/A TYR 178.A N PRO 175.A O no hydrogen 3.277 N/A LYS 180.A NZ HIS 121.A O no hydrogen 3.119 N/A LYS 180.A NZ GLN 124.A OE1 no hydrogen 3.252 N/A ALA 182.A N GLY 179.A O no hydrogen 2.865 N/A ASP 183.A N LYS 180.A O no hydrogen 3.275 N/A TRP 185.A N ALA 181.A O no hydrogen 3.179 N/A SER 186.A N ALA 182.A O no hydrogen 3.153 N/A SER 186.A OG TYR 165.A O no hydrogen 2.796 N/A SER 186.A OG ALA 182.A O no hydrogen 3.127 N/A LEU 187.A N ASP 183.A O no hydrogen 2.735 N/A GLY 188.A N ILE 184.A O no hydrogen 2.931 N/A CYS 189.A N TRP 185.A O no hydrogen 3.070 N/A CYS 189.A SG GLN 164.A O no hydrogen 3.944 N/A CYS 189.A SG TRP 185.A O no hydrogen 3.346 N/A THR 190.A N SER 186.A O no hydrogen 2.952 N/A THR 190.A N LEU 187.A O no hydrogen 2.777 N/A THR 190.A OG1 SER 186.A O no hydrogen 2.996 N/A ILE 191.A N LEU 187.A O no hydrogen 2.949 N/A ILE 192.A N GLY 188.A O no hydrogen 3.116 N/A GLU 193.A N CYS 189.A O no hydrogen 2.971 N/A MET 194.A N THR 190.A O no hydrogen 2.826 N/A ALA 195.A N ILE 191.A O no hydrogen 2.763 N/A THR 196.A N ILE 192.A O no hydrogen 2.788 N/A THR 196.A OG1 ILE 192.A O no hydrogen 2.754 N/A THR 196.A OG1 LYS 198.A O no hydrogen 3.223 N/A GLY 197.A N GLU 193.A O no hydrogen 2.630 N/A LYS 198.A N THR 196.A OG1 no hydrogen 3.320 N/A TYR 202.A N PRO 199.A O no hydrogen 3.295 N/A LEU 204.A N PHE 201.A O no hydrogen 2.969 N/A GLY 205.A N TYR 202.A O no hydrogen 3.205 N/A ALA 209.A N GLU 206.A O no hydrogen 3.045 N/A PHE 212.A N GLN 208.A O no hydrogen 3.130 N/A LYS 213.A N ALA 209.A O no hydrogen 3.205 N/A VAL 214.A N ALA 210.A O no hydrogen 3.030 N/A GLY 215.A N MET 211.A O no hydrogen 2.914 N/A MET 216.A N PHE 212.A O no hydrogen 2.766 N/A PHE 217.A N LYS 213.A O no hydrogen 2.861 N/A LYS 218.A N VAL 214.A O no hydrogen 3.114 N/A LYS 218.A NZ GLY 215.A O no hydrogen 2.273 N/A HIS 220.A ND1 PRO 221.A O no hydrogen 2.652 N/A MET 227.A N PRO 224.A O no hydrogen 3.117 N/A SER 228.A N GLU 103.A OE2 no hydrogen 2.967 N/A SER 228.A OG GLU 103.A OE1 no hydrogen 2.865 N/A SER 228.A OG GLU 230.A OE1 no hydrogen 3.339 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.764 N/A ALA 231.A N SER 228.A OG no hydrogen 3.135 N/A LYS 232.A N SER 228.A O no hydrogen 2.911 N/A LYS 232.A NZ GLU 225.A O no hydrogen 2.398 N/A LYS 232.A NZ MET 227.A O no hydrogen 3.569 N/A ALA 233.A N ALA 229.A O no hydrogen 2.981 N/A PHE 234.A N GLU 230.A O no hydrogen 3.068 N/A ILE 235.A N ALA 231.A O no hydrogen 2.855 N/A LEU 236.A N LYS 232.A O no hydrogen 2.959 N/A LYS 237.A N ALA 233.A O no hydrogen 3.192 N/A LYS 237.A NZ ASP 255.A OD2 no hydrogen 3.298 N/A CYS 238.A N ILE 235.A O no hydrogen 2.934 N/A CYS 238.A SG PHE 234.A O no hydrogen 3.875 N/A PHE 239.A N LEU 236.A O no hydrogen 2.930 N/A ASP 242.A N GLU 240.A OE2 no hydrogen 2.978 N/A LYS 245.A N ASP 242.A O no hydrogen 2.864 N/A ARG 246.A N ASP 242.A O no hydrogen 2.857 N/A ARG 246.A NE GLU 240.A O no hydrogen 2.710 N/A ARG 246.A NH1 GLU 169.A OE2 no hydrogen 2.841 N/A ARG 246.A NH1 ALA 181.A O no hydrogen 2.915 N/A ARG 246.A NH2 GLU 169.A OE1 no hydrogen 3.040 N/A ARG 246.A NH2 GLU 240.A O no hydrogen 2.901 N/A ARG 246.A NH2 PRO 241.A O no hydrogen 3.349 N/A CYS 248.A SG ASP 251.A OD2 no hydrogen 3.148 N/A LEU 252.A N CYS 248.A O no hydrogen 3.008 N/A LEU 253.A N ALA 249.A O no hydrogen 2.991 N/A ASP 255.A N LEU 252.A O no hydrogen 3.209 N/A PHE 257.A N ASP 255.A OD1 no hydrogen 3.069 N/A LEU 258.A N ASP 255.A O no hydrogen 3.186 N/A LYS 259.A N ASP 255.A O no hydrogen 3.086 N/A