Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1yya_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 228.A OD1 no hydrogen 2.710 N/A ARG 2.A NH1 SER 203.A O no hydrogen 2.844 N/A ARG 2.A NH2 ASP 228.A OD1 no hydrogen 3.546 N/A ARG 3.A NE GLN 34.A O no hydrogen 2.876 N/A ARG 3.A NH2 GLN 34.A O no hydrogen 3.498 N/A ARG 3.A NH2 SER 35.A O no hydrogen 3.040 N/A LEU 5.A N ASP 228.A O no hydrogen 3.084 N/A VAL 6.A N GLU 36.A O no hydrogen 2.829 N/A ALA 7.A N GLY 230.A O no hydrogen 2.993 N/A GLY 8.A N ALA 38.A O no hydrogen 2.821 N/A ASN 9.A N VAL 232.A O no hydrogen 2.650 N/A TRP 10.A N LEU 40.A O no hydrogen 3.333 N/A TRP 10.A NE1 SER 236.A O no hydrogen 2.995 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 2.997 N/A LYS 11.A NZ GLU 96.A OE2 no hydrogen 2.698 N/A HIS 13.A N LYS 11.A O no hydrogen 3.140 N/A LYS 14.A NZ LEU 237.A O no hydrogen 2.868 N/A THR 15.A N GLU 18.A OE1 no hydrogen 3.187 N/A THR 15.A OG1 SER 17.A OG no hydrogen 3.159 N/A SER 17.A OG THR 15.A OG1 no hydrogen 3.159 N/A GLU 18.A N THR 15.A OG1 no hydrogen 3.190 N/A ALA 19.A N THR 15.A O no hydrogen 2.814 N/A ARG 20.A N PRO 16.A O no hydrogen 2.990 N/A ARG 20.A NH1 GLU 51.A OE2 no hydrogen 2.727 N/A ARG 20.A NH2 GLU 51.A OE1 no hydrogen 2.933 N/A ARG 20.A NH2 GLU 51.A OE2 no hydrogen 3.541 N/A TRP 22.A N GLU 18.A O no hydrogen 3.182 N/A TRP 22.A NE1 LEU 237.A O no hydrogen 2.914 N/A PHE 23.A N ALA 19.A O no hydrogen 2.832 N/A ALA 24.A N ARG 20.A O no hydrogen 3.009 N/A GLU 25.A N VAL 21.A O no hydrogen 2.933 N/A LEU 26.A N TRP 22.A O no hydrogen 2.950 N/A LYS 27.A N PHE 23.A O no hydrogen 2.880 N/A LYS 27.A NZ GLU 55.A OE2 no hydrogen 2.491 N/A ARG 28.A N ALA 24.A O no hydrogen 3.073 N/A LEU 29.A N GLU 25.A O no hydrogen 2.924 N/A LEU 30.A N LEU 26.A O no hydrogen 2.754 N/A GLN 34.A N GLY 250.A OXT no hydrogen 2.825 N/A SER 35.A N GLY 250.A O no hydrogen 2.839 N/A SER 35.A OG ALA 249.A O no hydrogen 3.021 N/A SER 35.A OG GLY 250.A O no hydrogen 2.827 N/A GLU 36.A N VAL 4.A O no hydrogen 2.789 N/A ALA 38.A N VAL 6.A O no hydrogen 3.015 N/A VAL 39.A N GLY 59.A O no hydrogen 3.004 N/A LEU 40.A N GLY 8.A O no hydrogen 2.747 N/A ILE 45.A N ALA 42.A O no hydrogen 2.919 N/A LEU 46.A N PHE 43.A O no hydrogen 3.116 N/A ALA 49.A N ILE 45.A O no hydrogen 3.109 N/A LYS 50.A N LEU 46.A O no hydrogen 2.936 N/A LYS 50.A NZ ASP 84.A O no hydrogen 3.033 N/A GLU 51.A N PRO 47.A O no hydrogen 2.940 N/A VAL 52.A N VAL 48.A O no hydrogen 2.945 N/A LEU 53.A N ALA 49.A O no hydrogen 2.825 N/A ALA 54.A N LYS 50.A O no hydrogen 3.039 N/A THR 56.A N LEU 53.A O no hydrogen 2.747 N/A THR 56.A OG1 LEU 53.A O no hydrogen 2.787 N/A THR 56.A OG1 VAL 58.A O no hydrogen 3.504 N/A VAL 58.A N THR 56.A OG1 no hydrogen 3.034 N/A GLY 59.A N ALA 37.A O no hydrogen 2.953 N/A TYR 60.A OH LEU 85.A O no hydrogen 2.641 N/A GLY 61.A N VAL 39.A O no hydrogen 3.128 N/A ALA 62.A N TYR 89.A O no hydrogen 3.085 N/A GLN 63.A NE2 LYS 11.A O no hydrogen 3.008 N/A GLN 63.A NE2 LEU 40.A O no hydrogen 2.861 N/A SER 66.A N VAL 77.A O no hydrogen 2.790 N/A SER 66.A OG HIS 68.A O no hydrogen 3.511 N/A SER 66.A OG GLU 76.A OE1 no hydrogen 2.718 N/A HIS 68.A N SER 66.A OG no hydrogen 3.035 N/A TYR 73.A N GLY 71.A O no hydrogen 2.924 N/A GLU 76.A N TYR 73.A O no hydrogen 3.001 N/A MET 81.A N SER 78.A O no hydrogen 3.039 N/A MET 81.A N SER 78.A OG no hydrogen 3.221 N/A LEU 82.A N SER 78.A O no hydrogen 3.167 N/A SER 83.A N ALA 79.A O no hydrogen 2.845 N/A SER 83.A OG ALA 79.A O no hydrogen 3.284 N/A SER 83.A OG ARG 80.A O no hydrogen 3.001 N/A SER 83.A OG GLU 118.A OE1 no hydrogen 2.803 N/A ASP 84.A N ARG 80.A O no hydrogen 3.058 N/A LEU 85.A N MET 81.A O no hydrogen 3.328 N/A LEU 85.A N LEU 82.A O no hydrogen 3.171 N/A GLY 86.A N SER 83.A O no hydrogen 2.949 N/A CYS 87.A N LEU 82.A O no hydrogen 3.123 N/A CYS 87.A SG LEU 82.A O no hydrogen 3.525 N/A ARG 88.A N TYR 60.A O no hydrogen 2.892 N/A ARG 88.A NH1 GLU 36.A OE2 no hydrogen 3.004 N/A TYR 89.A OH GLU 36.A OE1 no hydrogen 3.139 N/A TYR 89.A OH GLU 36.A OE2 no hydrogen 2.551 N/A ALA 90.A N THR 121.A O no hydrogen 3.195 N/A ILE 91.A N ALA 62.A O no hydrogen 2.849 N/A VAL 92.A N ILE 123.A O no hydrogen 3.042 N/A GLU 96.A N HIS 94.A ND1 no hydrogen 3.058 N/A ARG 97.A N HIS 94.A O no hydrogen 2.865 N/A ARG 97.A NE GLU 103.A OE2 no hydrogen 2.890 N/A ARG 98.A N HIS 94.A O no hydrogen 2.977 N/A ARG 98.A NE GLY 93.A O no hydrogen 2.797 N/A ARG 98.A NH1 ASP 105.A OD1 no hydrogen 2.831 N/A ARG 98.A NH2 CYS 125.A O no hydrogen 3.031 N/A ARG 98.A NH2 SER 149.A OG no hydrogen 2.963 N/A ARG 99.A N SER 95.A O no hydrogen 2.873 N/A ARG 99.A NH1 TYR 100.A OH no hydrogen 3.315 N/A TYR 100.A N GLU 96.A O no hydrogen 2.794 N/A HIS 101.A N ARG 97.A O no hydrogen 2.937 N/A GLU 103.A N ARG 97.A O no hydrogen 3.342 N/A LEU 107.A N THR 104.A OG1 no hydrogen 3.132 N/A VAL 108.A N THR 104.A O no hydrogen 2.959 N/A ALA 109.A N ASP 105.A O no hydrogen 2.956 N/A GLU 110.A N ALA 106.A O no hydrogen 3.209 N/A LYS 111.A N LEU 107.A O no hydrogen 2.988 N/A LYS 111.A NZ ASP 64.A OD1 no hydrogen 2.844 N/A LYS 111.A NZ VAL 65.A O no hydrogen 2.764 N/A LYS 111.A NZ GLU 103.A OE2 no hydrogen 3.290 N/A ALA 112.A N VAL 108.A O no hydrogen 2.936 N/A LYS 113.A N ALA 109.A O no hydrogen 2.942 N/A LYS 113.A NZ GLU 110.A OE2 no hydrogen 2.820 N/A ARG 114.A N GLU 110.A O no hydrogen 3.001 N/A ARG 114.A NE GLU 117.A OE1 no hydrogen 2.922 N/A ARG 114.A NH1 ALA 67.A O no hydrogen 2.902 N/A ARG 114.A NH1 GLU 110.A OE1 no hydrogen 3.090 N/A ARG 114.A NH2 GLU 117.A OE2 no hydrogen 2.971 N/A LEU 115.A N LYS 111.A O no hydrogen 3.085 N/A LEU 116.A N ALA 112.A O no hydrogen 2.952 N/A GLU 117.A N LYS 113.A O no hydrogen 3.096 N/A GLU 118.A N LEU 115.A O no hydrogen 2.991 N/A GLY 119.A N LEU 116.A O no hydrogen 2.933 N/A ILE 120.A N LEU 115.A O no hydrogen 2.947 N/A THR 121.A N ARG 88.A O no hydrogen 2.929 N/A THR 121.A OG1 GLU 159.A O no hydrogen 3.462 N/A ILE 123.A N ALA 90.A O no hydrogen 2.915 N/A LEU 124.A N VAL 162.A O no hydrogen 2.868 N/A CYS 125.A N VAL 92.A O no hydrogen 3.094 N/A CYS 125.A SG ILE 123.A O no hydrogen 4.000 N/A VAL 126.A N ALA 164.A O no hydrogen 3.008 N/A GLY 127.A N GLN 145.A OE1 no hydrogen 2.772 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.710 N/A ARG 133.A N PRO 129.A O no hydrogen 3.141 N/A ARG 133.A NE GLU 128.A OE2 no hydrogen 2.842 N/A ARG 133.A NH2 GLU 128.A OE2 no hydrogen 3.096 N/A ARG 133.A NH2 TYR 165.A OH no hydrogen 2.924 N/A GLU 134.A N LEU 130.A O no hydrogen 2.853 N/A LYS 135.A N GLU 131.A O no hydrogen 3.229 N/A LYS 135.A N VAL 132.A O no hydrogen 3.178 N/A GLY 136.A N ARG 133.A O no hydrogen 2.997 N/A GLU 137.A N VAL 132.A O no hydrogen 3.041 N/A TYR 141.A N GLU 137.A O no hydrogen 3.009 N/A THR 142.A N ALA 138.A O no hydrogen 3.001 N/A THR 142.A OG1 ALA 138.A O no hydrogen 2.792 N/A LEU 143.A N VAL 139.A O no hydrogen 2.920 N/A ARG 144.A N PRO 140.A O no hydrogen 3.008 N/A GLN 145.A N TYR 141.A O no hydrogen 3.045 N/A LEU 146.A N THR 142.A O no hydrogen 2.920 N/A ARG 147.A N LEU 143.A O no hydrogen 2.933 N/A GLY 148.A N ARG 144.A O no hydrogen 3.047 N/A SER 149.A N GLN 145.A O no hydrogen 2.914 N/A SER 149.A OG ASP 105.A OD1 no hydrogen 3.340 N/A SER 149.A OG GLN 145.A O no hydrogen 2.773 N/A LEU 150.A N ARG 147.A O no hydrogen 3.241 N/A GLU 151.A N GLY 148.A O no hydrogen 3.464 N/A VAL 153.A N LEU 150.A O no hydrogen 2.919 N/A ALA 160.A N GLY 157.A O no hydrogen 3.023 N/A LEU 161.A N PRO 158.A O no hydrogen 3.487 N/A VAL 162.A N PRO 122.A O no hydrogen 3.025 N/A ILE 163.A N ARG 206.A O no hydrogen 3.130 N/A ALA 164.A N LEU 124.A O no hydrogen 2.817 N/A TYR 165.A N LEU 208.A O no hydrogen 2.814 N/A TYR 165.A OH GLU 128.A OE1 no hydrogen 2.761 N/A TYR 165.A OH GLU 128.A OE2 no hydrogen 3.259 N/A GLU 166.A N VAL 126.A O no hydrogen 2.922 N/A VAL 168.A N GLU 128.A O no hydrogen 3.015 N/A TRP 169.A NE1 GLU 128.A OE2 no hydrogen 2.792 N/A ALA 170.A N PRO 167.A O no hydrogen 2.954 N/A ILE 171.A N VAL 168.A O no hydrogen 3.181 N/A THR 173.A OG1 TRP 169.A O no hydrogen 2.670 N/A GLY 174.A N SER 212.A OG no hydrogen 2.925 N/A LYS 175.A N THR 173.A OG1 no hydrogen 3.203 N/A ASN 176.A ND2 ALA 177.A O no hydrogen 2.830 N/A ALA 177.A N TYR 209.A OH no hydrogen 2.895 N/A ASP 181.A N THR 178.A OG1 no hydrogen 3.139 N/A ALA 182.A N THR 178.A O no hydrogen 2.935 N/A GLU 183.A N PRO 179.A O no hydrogen 2.853 N/A ALA 184.A N GLU 180.A O no hydrogen 2.990 N/A MET 185.A N ASP 181.A O no hydrogen 3.100 N/A HIS 186.A N ALA 182.A O no hydrogen 2.880 N/A HIS 186.A ND1 ASN 226.A O no hydrogen 2.907 N/A GLN 187.A N GLU 183.A O no hydrogen 2.951 N/A ALA 188.A N ALA 184.A O no hydrogen 3.248 N/A ILE 189.A N MET 185.A O no hydrogen 2.876 N/A ARG 190.A N HIS 186.A O no hydrogen 2.809 N/A ARG 190.A NE ASN 226.A OD1 no hydrogen 2.793 N/A ARG 190.A NH1 ALA 202.A O no hydrogen 2.942 N/A ARG 190.A NH1 VAL 205.A O no hydrogen 2.755 N/A ARG 190.A NH2 ASN 226.A O no hydrogen 3.240 N/A ARG 190.A NH2 ASP 228.A OD2 no hydrogen 2.763 N/A LYS 191.A N GLN 187.A O no hydrogen 2.969 N/A LYS 191.A NZ GLU 195.A OE2 no hydrogen 2.913 N/A ALA 192.A N ALA 188.A O no hydrogen 2.996 N/A LEU 193.A N ILE 189.A O no hydrogen 2.917 N/A SER 194.A N ARG 190.A O no hydrogen 2.892 N/A SER 194.A OG GLU 199.A OE1 no hydrogen 2.781 N/A GLU 195.A N LYS 191.A O no hydrogen 3.116 N/A ARG 196.A N ALA 192.A O no hydrogen 3.100 N/A ARG 196.A NH1 GLU 154.A OE2 no hydrogen 2.751 N/A ARG 196.A NH1 ARG 196.A O no hydrogen 3.310 N/A ARG 196.A NH2 LEU 150.A O no hydrogen 2.907 N/A ARG 196.A NH2 GLU 154.A OE2 no hydrogen 3.006 N/A TYR 197.A N LEU 193.A O no hydrogen 2.721 N/A TYR 197.A OH VAL 153.A O no hydrogen 2.726 N/A GLY 198.A N SER 194.A O no hydrogen 2.685 N/A ALA 202.A N GLY 198.A O no hydrogen 2.985 N/A SER 203.A N GLU 199.A O no hydrogen 2.874 N/A SER 203.A OG GLU 199.A O no hydrogen 3.138 N/A SER 203.A OG ALA 200.A O no hydrogen 2.944 N/A ARG 204.A N PHE 201.A O no hydrogen 2.968 N/A ARG 204.A NH1 ALA 200.A O no hydrogen 2.759 N/A VAL 205.A N ALA 202.A O no hydrogen 3.373 N/A ARG 206.A NH1 TYR 89.A OH no hydrogen 2.838 N/A ILE 207.A N ASP 228.A OD2 no hydrogen 2.819 N/A LEU 208.A N ILE 163.A O no hydrogen 2.763 N/A TYR 209.A N GLY 229.A O no hydrogen 3.026 N/A TYR 209.A OH GLY 211.A O no hydrogen 2.748 N/A GLY 210.A N TYR 165.A O no hydrogen 2.919 N/A SER 212.A OG ALA 170.A O no hydrogen 2.692 N/A ASN 214.A N ASN 217.A OD1 no hydrogen 2.998 N/A ASN 217.A N ASN 214.A O no hydrogen 3.114 N/A ASN 217.A N ASN 214.A OD1 no hydrogen 3.056 N/A ASN 217.A ND2 SER 212.A O no hydrogen 2.946 N/A PHE 218.A N ASN 214.A O no hydrogen 2.962 N/A LEU 221.A N ASN 217.A O no hydrogen 3.220 N/A LEU 222.A N PHE 218.A O no hydrogen 2.832 N/A SER 223.A N ALA 219.A O no hydrogen 2.998 N/A SER 223.A OG ASP 220.A O no hydrogen 2.568 N/A MET 224.A N LEU 221.A O no hydrogen 3.205 N/A ASN 226.A N GLU 183.A OE1 no hydrogen 2.800 N/A ASN 226.A ND2 GLU 183.A OE2 no hydrogen 2.730 N/A VAL 227.A N MET 224.A O no hydrogen 3.111 N/A ASP 228.A N ILE 207.A O no hydrogen 2.878 N/A GLY 230.A N LEU 5.A O no hydrogen 3.108 N/A LEU 231.A N TYR 209.A O no hydrogen 2.947 N/A VAL 232.A N ALA 7.A O no hydrogen 2.795 N/A SER 236.A N GLY 233.A O no hydrogen 2.891 N/A SER 236.A OG VAL 232.A O no hydrogen 3.211 N/A SER 236.A OG GLY 233.A O no hydrogen 2.743 N/A LEU 237.A N GLY 234.A O no hydrogen 3.289 N/A SER 241.A OG ALA 235.A O no hydrogen 2.672 N/A PHE 242.A N GLU 238.A O no hydrogen 2.996 N/A LEU 243.A N LEU 239.A O no hydrogen 2.835 N/A ALA 244.A N GLU 240.A O no hydrogen 3.000 N/A LEU 245.A N SER 241.A O no hydrogen 3.028 N/A LEU 246.A N PHE 242.A O no hydrogen 2.978 N/A ARG 247.A N LEU 243.A O no hydrogen 2.914 N/A ARG 247.A NH1 GLU 240.A OE2 no hydrogen 3.555 N/A ILE 248.A N ALA 244.A O no hydrogen 3.114 N/A ALA 249.A N LEU 245.A O no hydrogen 3.077 N/A GLY 250.A N LEU 246.A O no hydrogen 2.944 N/A