Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ycr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N PRO 3.A O no hydrogen 3.158 N/A ARG 7.A N PRO 3.A O no hydrogen 3.062 N/A ASP 8.A N LYS 4.A O no hydrogen 2.772 N/A GLU 9.A N LEU 6.A O no hydrogen 2.949 N/A TYR 10.A N LEU 6.A O no hydrogen 2.916 N/A ILE 11.A N PHE 25.A O no hydrogen 2.924 N/A SER 13.A N LEU 23.A O no hydrogen 2.839 N/A LEU 16.A N VAL 21.A O no hydrogen 2.778 N/A GLY 17.A N VAL 21.A O no hydrogen 3.308 N/A GLU 20.A N ILE 37.A O no hydrogen 3.088 N/A VAL 21.A N GLY 17.A O no hydrogen 3.145 N/A LYS 22.A N ILE 35.A O no hydrogen 2.950 N/A LYS 22.A NZ TYR 2.A OH no hydrogen 2.958 N/A LYS 22.A NZ GLU 20.A OE1 no hydrogen 3.009 N/A LEU 23.A N LYS 14.A O no hydrogen 2.763 N/A ALA 24.A N VAL 33.A O no hydrogen 3.075 N/A PHE 25.A N ILE 11.A O no hydrogen 2.904 N/A GLU 26.A N LYS 31.A O no hydrogen 2.956 N/A ARG 27.A N GLU 9.A O no hydrogen 2.824 N/A ARG 27.A NE ARG 7.A O no hydrogen 2.822 N/A ARG 27.A NH2 ARG 7.A O no hydrogen 2.791 N/A ARG 27.A NH2 TYR 10.A O no hydrogen 3.460 N/A CYS 30.A N GLU 26.A O no hydrogen 2.805 N/A CYS 30.A SG ARG 27.A O no hydrogen 3.943 N/A LYS 31.A N THR 29.A OG1 no hydrogen 3.327 N/A VAL 33.A N ALA 24.A O no hydrogen 2.825 N/A ALA 34.A N LEU 73.A O no hydrogen 2.962 N/A ILE 35.A N LYS 22.A O no hydrogen 2.812 N/A LYS 36.A N ILE 71.A O no hydrogen 2.835 N/A ILE 37.A N GLU 20.A O no hydrogen 2.741 N/A ILE 38.A N TYR 69.A O no hydrogen 2.915 N/A LYS 40.A N ASP 68.A OD1 no hydrogen 3.408 N/A LYS 40.A NZ ASP 65.A OD1 no hydrogen 3.266 N/A ASN 41.A ND2 ASN 41.A O no hydrogen 2.779 N/A GLU 45.A N ASN 41.A O no hydrogen 3.201 N/A ILE 46.A N VAL 42.A O no hydrogen 2.819 N/A GLU 47.A N GLU 43.A O no hydrogen 3.043 N/A ILE 48.A N THR 44.A O no hydrogen 2.773 N/A LEU 49.A N GLU 45.A O no hydrogen 2.827 N/A LYS 50.A N ILE 46.A O no hydrogen 2.821 N/A LYS 51.A N ILE 48.A O no hydrogen 3.130 N/A LYS 51.A NZ ASN 113.A O no hydrogen 3.141 N/A LEU 52.A N LEU 49.A O no hydrogen 3.314 N/A ASN 53.A N TYR 109.A OH no hydrogen 2.788 N/A CYS 56.A N HIS 54.A ND1 no hydrogen 3.109 N/A CYS 56.A SG GLN 102.A OE1 no hydrogen 3.730 N/A ILE 57.A N HIS 54.A O no hydrogen 3.081 N/A ILE 58.A N ILE 138.A O no hydrogen 3.069 N/A LYS 59.A N GLU 74.A OE2 no hydrogen 2.875 N/A LYS 59.A NZ ASN 53.A OD1 no hydrogen 3.157 N/A LYS 59.A NZ HIS 54.A O no hydrogen 3.532 N/A LYS 61.A N VAL 72.A O no hydrogen 2.754 N/A ASN 62.A N VAL 72.A O no hydrogen 3.344 N/A ASN 62.A ND2 GLU 9.A OE2 no hydrogen 3.423 N/A ASN 62.A ND2 TYR 10.A OH no hydrogen 3.153 N/A PHE 63.A N ASN 62.A OD1 no hydrogen 2.806 N/A PHE 64.A N TYR 70.A O no hydrogen 2.825 N/A ALA 66.A N ASP 68.A O no hydrogen 3.015 N/A TYR 69.A N ILE 38.A O no hydrogen 2.962 N/A TYR 70.A N PHE 64.A O no hydrogen 2.791 N/A ILE 71.A N LYS 36.A O no hydrogen 2.865 N/A VAL 72.A N ASN 62.A O no hydrogen 2.794 N/A LEU 73.A N ALA 34.A O no hydrogen 2.851 N/A GLY 78.A N LEU 127.A O no hydrogen 2.793 N/A GLY 79.A N MET 76.A O no hydrogen 3.233 N/A LEU 81.A N VAL 125.A O no hydrogen 2.810 N/A PHE 82.A N PRO 122.A O no hydrogen 3.148 N/A ASP 83.A N GLU 80.A O no hydrogen 3.240 N/A LYS 84.A N LEU 81.A O no hydrogen 2.813 N/A VAL 85.A N PHE 82.A O no hydrogen 3.080 N/A VAL 86.A N PHE 82.A O no hydrogen 3.086 N/A ASN 88.A ND2 GLY 195.A O no hydrogen 2.834 N/A LYS 89.A N VAL 86.A O no hydrogen 3.168 N/A LYS 89.A NZ ASP 83.A O no hydrogen 2.728 N/A ARG 90.A NH1 LEU 193.A O no hydrogen 2.937 N/A ARG 90.A NH1 VAL 223.A O no hydrogen 2.973 N/A ARG 90.A NH2 VAL 223.A O no hydrogen 2.668 N/A LYS 92.A NZ GLU 132.A OE1 no hydrogen 2.930 N/A THR 95.A OG1 GLU 132.A OE2 no hydrogen 2.853 N/A CYS 96.A N LYS 92.A O no hydrogen 2.972 N/A CYS 96.A SG LEU 91.A O no hydrogen 3.929 N/A CYS 96.A SG LYS 92.A O no hydrogen 3.507 N/A LYS 97.A N GLU 93.A O no hydrogen 2.980 N/A LYS 97.A NZ TRP 257.A O no hydrogen 2.896 N/A LYS 97.A NZ ASP 260.A OD2 no hydrogen 2.683 N/A LEU 98.A N ALA 94.A O no hydrogen 3.162 N/A TYR 99.A N THR 95.A O no hydrogen 3.042 N/A TYR 99.A OH GLU 132.A O no hydrogen 2.628 N/A PHE 100.A N CYS 96.A O no hydrogen 2.794 N/A TYR 101.A N LYS 97.A O no hydrogen 2.835 N/A GLN 102.A N LEU 98.A O no hydrogen 3.359 N/A GLN 102.A NE2 LEU 98.A O no hydrogen 3.217 N/A GLN 102.A NE2 CYS 134.A O no hydrogen 3.225 N/A MET 103.A N TYR 99.A O no hydrogen 3.035 N/A LEU 104.A N PHE 100.A O no hydrogen 2.852 N/A LEU 105.A N TYR 101.A O no hydrogen 3.018 N/A ALA 106.A N GLN 102.A O no hydrogen 2.975 N/A VAL 107.A N MET 103.A O no hydrogen 2.854 N/A GLN 108.A N LEU 104.A O no hydrogen 2.745 N/A TYR 109.A N LEU 105.A O no hydrogen 2.988 N/A LEU 110.A N ALA 106.A O no hydrogen 3.008 N/A HIS 111.A N VAL 107.A O no hydrogen 2.902 N/A HIS 111.A NE2 ASP 181.A OD2 no hydrogen 2.949 N/A GLU 112.A N GLN 108.A O no hydrogen 2.946 N/A ASN 113.A N TYR 109.A O no hydrogen 3.195 N/A ASN 113.A ND2 TYR 109.A O no hydrogen 2.814 N/A GLY 114.A N HIS 111.A O no hydrogen 3.099 N/A ILE 115.A N LEU 110.A O no hydrogen 2.953 N/A ILE 116.A N LYS 145.A O no hydrogen 2.907 N/A HIS 117.A N ASP 181.A OD2 no hydrogen 2.909 N/A HIS 117.A NE2 THR 139.A O no hydrogen 2.846 N/A ARG 118.A N ASP 181.A OD1 no hydrogen 2.807 N/A ASP 119.A N HIS 117.A ND1 no hydrogen 2.987 N/A LYS 121.A NZ.B ASP 119.A OD2 no hydrogen 3.303 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.682 N/A ASN 124.A N LYS 121.A O no hydrogen 2.831 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.770 N/A ASN 124.A ND2 ASP 119.A OD2 no hydrogen 3.337 N/A VAL 125.A N PRO 122.A O no hydrogen 3.285 N/A LEU 126.A N LYS 137.A O no hydrogen 2.800 N/A LEU 127.A N GLY 79.A O no hydrogen 2.738 N/A SER 128.A N LEU 135.A O no hydrogen 2.856 N/A SER 128.A OG LEU 135.A O no hydrogen 3.149 N/A GLU 131.A N SER 129.A OG no hydrogen 2.957 N/A CYS 134.A SG SER 129.A O no hydrogen 3.801 N/A CYS 134.A SG GLU 131.A O no hydrogen 3.533 N/A CYS 134.A SG LEU 135.A O no hydrogen 3.684 N/A LEU 135.A N SER 128.A OG no hydrogen 3.081 N/A ILE 136.A N GLN 102.A OE1 no hydrogen 2.813 N/A LYS 137.A N LEU 126.A O no hydrogen 2.857 N/A LYS 137.A NZ ILE 57.A O no hydrogen 3.043 N/A LYS 137.A NZ GLU 74.A OE2 no hydrogen 2.742 N/A ILE 138.A N CYS 56.A O no hydrogen 2.959 N/A THR 139.A N ASN 124.A O no hydrogen 3.004 N/A PHE 141.A N GLU 45.A OE2 no hydrogen 3.142 N/A GLY 142.A N ASP 140.A OD1 no hydrogen 3.207 N/A SER 144.A N PHE 141.A O no hydrogen 3.248 N/A SER 144.A OG PHE 141.A O no hydrogen 2.630 N/A LYS 145.A N ILE 116.A O no hydrogen 2.922 N/A LEU 147.A N GLY 114.A O no hydrogen 2.703 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.944 N/A LEU 152.A N THR 150.A OG1 no hydrogen 3.243 N/A ARG 154.A N THR 150.A O no hydrogen 3.466 N/A ARG 154.A NH1 GLU 149.A O no hydrogen 3.505 N/A THR 155.A N SER 151.A O no hydrogen 2.828 N/A THR 155.A OG1 SER 151.A O no hydrogen 2.770 N/A LEU 156.A N LEU 152.A O no hydrogen 2.853 N/A CYS 157.A N ARG 154.A O no hydrogen 3.208 N/A CYS 157.A SG MET 153.A O no hydrogen 3.719 N/A LEU 163.A N PRO 160.A O no hydrogen 2.938 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.789 N/A VAL 167.A N ALA 164.A O no hydrogen 3.126 N/A VAL 169.A N PRO 165.A O no hydrogen 2.895 N/A SER 170.A N GLU 166.A O no hydrogen 3.047 N/A SER 170.A OG VAL 167.A O no hydrogen 2.635 N/A VAL 171.A N LEU 168.A O no hydrogen 3.291 N/A GLY 172.A N VAL 169.A O no hydrogen 3.135 N/A THR 173.A N SER 170.A O no hydrogen 3.334 N/A ALA 179.A N TYR 176.A O no hydrogen 3.014 N/A VAL 180.A N ASN 177.A O no hydrogen 3.224 N/A ASP 181.A N ARG 178.A O no hydrogen 3.078 N/A CYS 182.A SG PHE 247.A O no hydrogen 3.509 N/A TRP 183.A N ALA 179.A O no hydrogen 3.148 N/A SER 184.A N VAL 180.A O no hydrogen 3.191 N/A SER 184.A OG VAL 180.A O no hydrogen 3.099 N/A LEU 185.A N ASP 181.A O no hydrogen 2.971 N/A GLY 186.A N CYS 182.A O no hydrogen 3.018 N/A VAL 187.A N TRP 183.A O no hydrogen 3.011 N/A ILE 188.A N SER 184.A O no hydrogen 2.770 N/A LEU 189.A N LEU 185.A O no hydrogen 2.768 N/A PHE 190.A N GLY 186.A O no hydrogen 3.044 N/A ILE 191.A N VAL 187.A O no hydrogen 3.028 N/A CYS 192.A N ILE 188.A O no hydrogen 2.861 N/A CYS 192.A SG ILE 188.A O no hydrogen 3.370 N/A LEU 193.A N LEU 189.A O no hydrogen 2.909 N/A SER 194.A N PHE 190.A O no hydrogen 3.090 N/A SER 194.A OG PHE 190.A O no hydrogen 2.829 N/A GLY 195.A N ILE 191.A O no hydrogen 2.746 N/A TYR 196.A N SER 194.A OG no hydrogen 3.071 N/A TYR 196.A OH ASN 218.A O no hydrogen 2.614 N/A SER 200.A N GLN 211.A OE1 no hydrogen 3.062 N/A HIS 202.A N SER 200.A OG no hydrogen 3.013 N/A VAL 206.A N THR 204.A OG1 no hydrogen 3.135 N/A LEU 208.A N GLU 201.A OE2 no hydrogen 3.358 N/A ASP 210.A N SER 207.A OG no hydrogen 3.009 N/A GLN 211.A N SER 207.A O no hydrogen 2.876 N/A GLN 211.A NE2 SER 200.A O no hydrogen 2.861 N/A GLN 211.A NE2 VAL 206.A O no hydrogen 2.911 N/A GLN 211.A NE2 SER 207.A O no hydrogen 3.633 N/A ILE 212.A N LEU 208.A O no hydrogen 2.988 N/A THR 213.A N LYS 209.A O no hydrogen 2.921 N/A THR 213.A OG1 LYS 209.A O no hydrogen 3.326 N/A SER 214.A N ASP 210.A O no hydrogen 3.194 N/A SER 214.A OG ASP 210.A O no hydrogen 2.820 N/A SER 214.A OG GLN 211.A O no hydrogen 3.170 N/A GLY 215.A N ILE 212.A O no hydrogen 3.002 N/A LYS 216.A N GLN 211.A O no hydrogen 3.149 N/A LYS 216.A N SER 214.A OG no hydrogen 3.386 N/A TYR 217.A N GLY 215.A O no hydrogen 3.105 N/A ASN 218.A N PRO 198.A O no hydrogen 2.813 N/A ILE 220.A N TYR 196.A OH no hydrogen 2.940 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 3.157 N/A TRP 224.A N ILE 220.A O no hydrogen 3.433 N/A TRP 224.A NE1 TYR 196.A OH no hydrogen 3.093 N/A VAL 227.A N TRP 224.A O no hydrogen 2.769 N/A SER 228.A N GLU 93.A OE1 no hydrogen 2.883 N/A SER 228.A OG GLU 93.A OE2 no hydrogen 2.835 N/A ALA 231.A N SER 228.A OG no hydrogen 3.061 N/A LEU 232.A N SER 228.A O no hydrogen 3.314 N/A ASP 233.A N GLU 229.A O no hydrogen 2.894 N/A LEU 234.A N LYS 230.A O no hydrogen 3.141 N/A VAL 235.A N ALA 231.A O no hydrogen 3.165 N/A LYS 236.A N LEU 232.A O no hydrogen 2.998 N/A LYS 237.A N ASP 233.A O no hydrogen 3.192 N/A LYS 237.A N LEU 234.A O no hydrogen 3.015 N/A LEU 238.A N LEU 234.A O no hydrogen 3.140 N/A LEU 238.A N VAL 235.A O no hydrogen 3.127 N/A LEU 239.A N VAL 235.A O no hydrogen 2.989 N/A LYS 244.A N ASP 242.A OD1 no hydrogen 3.099 N/A LYS 244.A NZ GLY 172.A O no hydrogen 2.914 N/A ALA 245.A N ASP 242.A O no hydrogen 3.034 N/A ARG 246.A N ASP 242.A O no hydrogen 3.019 N/A ARG 246.A NE VAL 240.A O no hydrogen 2.880 N/A ARG 246.A NH1 ALA 179.A O no hydrogen 2.872 N/A ARG 246.A NH2 VAL 240.A O no hydrogen 2.883 N/A PHE 247.A N LYS 237.A O no hydrogen 3.084 N/A THR 248.A N GLU 251.A OE1 no hydrogen 3.047 N/A GLU 251.A N THR 248.A OG1 no hydrogen 3.234 N/A ALA 252.A N THR 248.A O no hydrogen 3.010 N/A LEU 253.A N THR 249.A O no hydrogen 2.937 N/A ARG 254.A N GLU 250.A O no hydrogen 3.168 N/A ARG 254.A N GLU 251.A O no hydrogen 3.207 N/A HIS 255.A N ALA 252.A O no hydrogen 3.099 N/A HIS 255.A NE2 ASP 233.A OD2 no hydrogen 2.639 N/A TRP 257.A N HIS 255.A ND1 no hydrogen 3.129 N/A TRP 257.A NE1 GLU 93.A OE2 no hydrogen 2.902 N/A LEU 258.A N HIS 255.A O no hydrogen 2.909 N/A GLN 259.A N PRO 256.A O no hydrogen 3.083 N/A GLN 259.A NE2 LEU 253.A O no hydrogen 2.965 N/A GLN 259.A NE2 HIS 255.A O no hydrogen 2.982 N/A MET 263.A N ASP 260.A OD1 no hydrogen 2.909 N/A LYS 264.A N ASP 260.A O no hydrogen 3.046 N/A LYS 264.A NZ LEU 258.A O no hydrogen 3.449 N/A ARG 265.A N GLU 261.A O no hydrogen 2.878 N/A LYS 266.A N ASP 262.A O no hydrogen 2.977 N/A PHE 267.A N MET 263.A O no hydrogen 3.054 N/A GLN 268.A N LYS 264.A O no hydrogen 3.050 N/A ASP 269.A N ARG 265.A O no hydrogen 2.836 N/A LEU 270.A N LYS 266.A O no hydrogen 2.968 N/A LEU 271.A N PHE 267.A O no hydrogen 2.968 N/A SER 272.A N GLN 268.A O no hydrogen 3.074 N/A SER 272.A OG GLN 268.A O no hydrogen 3.316 N/A GLU 273.A N ASP 269.A O no hydrogen 3.200 N/A GLU 274.A N LEU 270.A O no hydrogen 3.226 N/A ASN 275.A N LEU 271.A O no hydrogen 3.222 N/A ASN 275.A N SER 272.A O no hydrogen 3.186 N/A