Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wfe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N GLU 1.A O no hydrogen 2.976 N/A LEU 5.A N GLU 1.A O no hydrogen 3.420 N/A ARG 6.A N SER 2.A O no hydrogen 3.068 N/A ARG 6.A NH1 GLN 202.A OE1 no hydrogen 2.923 N/A ARG 6.A NH2 GLN 202.A OE1 no hydrogen 2.682 N/A ALA 7.A N ALA 3.A O no hydrogen 3.201 N/A LEU 8.A N ASP 4.A O no hydrogen 3.079 N/A ALA 9.A N LEU 5.A O no hydrogen 3.103 N/A LYS 10.A N ARG 6.A O no hydrogen 2.848 N/A HIS 11.A N ALA 7.A O no hydrogen 2.880 N/A HIS 11.A NE2 SER 84.A O no hydrogen 2.706 N/A LEU 12.A N LEU 8.A O no hydrogen 2.889 N/A TYR 13.A N ALA 9.A O no hydrogen 2.939 N/A ASP 14.A N LYS 10.A O no hydrogen 2.990 N/A SER 15.A N HIS 11.A O no hydrogen 3.060 N/A SER 15.A OG.A HIS 11.A O no hydrogen 2.742 N/A SER 15.A OG.B SER 84.A OG no hydrogen 2.536 N/A TYR 16.A N LEU 12.A O no hydrogen 2.869 N/A TYR 16.A OH ASP 163.A OD1 no hydrogen 2.676 N/A ILE 17.A N TYR 13.A O no hydrogen 3.001 N/A LYS 18.A N ASP 14.A O no hydrogen 3.251 N/A LYS 18.A NZ ASP 14.A OD1 no hydrogen 3.443 N/A LYS 18.A NZ ASP 14.A OD2 no hydrogen 2.741 N/A SER 19.A N SER 15.A O no hydrogen 2.931 N/A SER 19.A N TYR 16.A O no hydrogen 3.160 N/A SER 19.A OG SER 15.A O no hydrogen 2.579 N/A PHE 20.A N TYR 16.A O no hydrogen 2.911 N/A LYS 24.A N ASP 163.A OD1 no hydrogen 2.896 N/A LYS 24.A NZ LEU 161.A O no hydrogen 2.570 N/A ALA 25.A N ASP 163.A OD2 no hydrogen 3.037 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.217 N/A LYS 26.A NZ ASP 37.A OD2 no hydrogen 3.019 N/A ALA 27.A N THR 23.A O no hydrogen 2.962 N/A ARG 28.A N LYS 24.A O no hydrogen 2.767 N/A ARG 28.A NH1 MET 116.A O no hydrogen 3.275 N/A ARG 28.A NH2 SER 114.A O no hydrogen 2.689 N/A ARG 28.A NH2 MET 116.A O no hydrogen 2.660 N/A ALA 29.A N ALA 25.A O no hydrogen 3.090 N/A ILE 30.A N LYS 26.A O no hydrogen 3.020 N/A LEU 31.A N ALA 27.A O no hydrogen 2.941 N/A THR 32.A N ARG 28.A O no hydrogen 2.736 N/A THR 32.A OG1 ARG 28.A O no hydrogen 3.111 N/A GLY 33.A N ALA 29.A O no hydrogen 3.399 N/A LYS 34.A N ALA 29.A O no hydrogen 3.026 N/A THR 36.A OG1 ASP 37.A OD1 no hydrogen 2.852 N/A PHE 41.A N GLN 127.A O no hydrogen 2.992 N/A ILE 43.A N PHE 129.A O no hydrogen 2.795 N/A TYR 44.A N SER 48.A OG no hydrogen 2.827 N/A ASP 45.A N SER 48.A OG no hydrogen 2.821 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.602 N/A SER 48.A OG ASP 45.A O no hydrogen 2.752 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.665 N/A LEU 49.A N ASP 45.A O no hydrogen 2.802 N/A MET 50.A N MET 46.A O no hydrogen 2.950 N/A MET 51.A N ASN 47.A O no hydrogen 2.887 N/A GLY 52.A N SER 48.A O no hydrogen 2.602 N/A GLU 53.A N LEU 49.A O no hydrogen 2.820 N/A ASP 54.A N MET 51.A O no hydrogen 3.075 N/A LYS 55.A N MET 51.A O no hydrogen 3.464 N/A ILE 56.A N GLY 52.A O no hydrogen 2.751 N/A ARG 62.A N GLU 58.A O no hydrogen 2.895 N/A ARG 62.A NE GLU 53.A OE1 no hydrogen 2.662 N/A ARG 62.A NH2 GLU 53.A OE1 no hydrogen 3.028 N/A ILE 63.A N VAL 59.A O no hydrogen 2.837 N/A PHE 64.A N ALA 60.A O no hydrogen 3.046 N/A GLN 65.A N ILE 61.A O no hydrogen 2.817 N/A GLY 66.A N ARG 62.A O no hydrogen 3.122 N/A CYS 67.A N ILE 63.A O no hydrogen 2.933 N/A CYS 67.A SG.A ILE 63.A O no hydrogen 3.401 N/A GLN 68.A N PHE 64.A O no hydrogen 2.950 N/A PHE 69.A N GLN 65.A O no hydrogen 2.979 N/A ARG 70.A N GLY 66.A O no hydrogen 3.065 N/A ARG 70.A NH1 GLU 77.A OE2 no hydrogen 3.219 N/A ARG 70.A NH2 GLU 77.A OE1 no hydrogen 3.415 N/A SER 71.A N CYS 67.A O no hydrogen 2.995 N/A SER 71.A OG CYS 67.A O no hydrogen 3.340 N/A VAL 72.A N GLN 68.A O no hydrogen 3.021 N/A GLU 73.A N PHE 69.A O no hydrogen 3.174 N/A ALA 74.A N ARG 70.A O no hydrogen 2.880 N/A VAL 75.A N SER 71.A O no hydrogen 2.957 N/A GLN 76.A N VAL 72.A O no hydrogen 3.168 N/A GLU 77.A N GLU 73.A O no hydrogen 3.051 N/A ILE 78.A N ALA 74.A O no hydrogen 2.806 N/A THR 79.A N VAL 75.A O no hydrogen 2.819 N/A THR 79.A OG1 VAL 75.A O no hydrogen 2.907 N/A GLU 80.A N GLN 76.A O no hydrogen 3.081 N/A TYR 81.A N GLU 77.A O no hydrogen 2.894 N/A TYR 81.A OH ALA 167.A O no hydrogen 2.581 N/A ALA 82.A N ILE 78.A O no hydrogen 2.891 N/A LYS 83.A N THR 79.A O no hydrogen 3.316 N/A SER 84.A N TYR 81.A O no hydrogen 3.009 N/A SER 84.A OG SER 15.A OG.B no hydrogen 2.536 N/A SER 84.A OG TYR 81.A O no hydrogen 2.546 N/A ILE 85.A N ALA 82.A O no hydrogen 2.806 N/A PHE 88.A N ILE 85.A O no hydrogen 2.960 N/A ASN 90.A N GLY 87.A O no hydrogen 3.215 N/A LEU 91.A N PHE 88.A O no hydrogen 3.073 N/A ASN 94.A N ASP 92.A OD1 no hydrogen 2.866 N/A ASN 94.A ND2 ASP 92.A OD1 no hydrogen 2.829 N/A GLN 96.A N ASP 92.A O no hydrogen 3.001 N/A GLN 96.A NE2 LEU 91.A O no hydrogen 2.871 N/A VAL 97.A N LEU 93.A O no hydrogen 2.984 N/A THR 98.A N ASN 94.A O no hydrogen 2.956 N/A THR 98.A OG1 ASN 94.A O no hydrogen 2.923 N/A LEU 99.A N ASP 95.A O no hydrogen 2.744 N/A LEU 100.A N GLN 96.A O no hydrogen 3.042 N/A LYS 101.A N VAL 97.A O no hydrogen 2.887 N/A LYS 101.A NZ GLU 253.A O no hydrogen 2.539 N/A LYS 101.A NZ ILE 254.A O no hydrogen 3.303 N/A LYS 101.A NZ LYS 256.A O no hydrogen 2.727 N/A TYR 102.A N THR 98.A O no hydrogen 3.304 N/A GLY 103.A N LEU 99.A O no hydrogen 2.919 N/A VAL 104.A N LEU 100.A O no hydrogen 3.210 N/A ILE 107.A N GLY 103.A O no hydrogen 3.107 N/A ILE 108.A N VAL 104.A O no hydrogen 2.619 N/A TYR 109.A N HIS 105.A O no hydrogen 3.101 N/A THR 110.A N GLU 106.A O no hydrogen 3.225 N/A THR 110.A OG1 GLU 106.A O no hydrogen 2.627 N/A MET 111.A N ILE 107.A O no hydrogen 2.917 N/A LEU 112.A N ILE 108.A O no hydrogen 2.840 N/A ALA 113.A N TYR 109.A O no hydrogen 3.247 N/A ALA 113.A N THR 110.A O no hydrogen 3.310 N/A SER 114.A N MET 111.A O no hydrogen 3.033 N/A LEU 115.A N LEU 112.A O no hydrogen 3.027 N/A MET 116.A N ALA 113.A O no hydrogen 3.025 N/A ASN 117.A N GLY 120.A O no hydrogen 2.968 N/A LYS 118.A NZ ASP 119.A OD1 no hydrogen 3.363 N/A ASP 119.A N ASN 117.A OD1 no hydrogen 2.699 N/A GLY 120.A N ASN 117.A O no hydrogen 3.367 N/A GLY 120.A N ASN 117.A OD1 no hydrogen 3.012 N/A VAL 121.A N MET 130.A O no hydrogen 2.970 N/A LEU 122.A N LEU 115.A O no hydrogen 2.868 N/A ILE 123.A N GLY 128.A O no hydrogen 3.192 N/A GLY 126.A N ILE 123.A O no hydrogen 3.051 N/A GLN 127.A N SER 124.A O no hydrogen 2.979 N/A GLY 128.A N ILE 123.A O no hydrogen 3.050 N/A PHE 129.A N PHE 41.A O no hydrogen 2.866 N/A MET 130.A N VAL 121.A O no hydrogen 2.921 N/A THR 131.A N ILE 43.A O no hydrogen 2.959 N/A THR 131.A OG1 ILE 43.A O no hydrogen 2.936 N/A ARG 132.A N ASP 119.A O no hydrogen 2.854 N/A ARG 132.A NE GLU 147.A OE1 no hydrogen 3.164 N/A ARG 132.A NE GLU 147.A OE2 no hydrogen 3.093 N/A ARG 132.A NH1 LYS 118.A O no hydrogen 3.370 N/A ARG 132.A NH2 GLU 147.A OE2 no hydrogen 2.568 N/A LEU 135.A N THR 131.A O no hydrogen 3.268 N/A LYS 136.A N ARG 132.A O no hydrogen 2.842 N/A SER 137.A N PHE 134.A O no hydrogen 3.182 N/A SER 137.A OG GLU 133.A O no hydrogen 3.542 N/A SER 137.A OG PHE 134.A O no hydrogen 2.745 N/A LYS 149.A NZ PHE 145.A O no hydrogen 2.983 N/A LYS 149.A NZ HIS 231.A ND1 no hydrogen 3.549 N/A PHE 150.A N MET 146.A O no hydrogen 3.142 N/A GLU 151.A N GLU 147.A O no hydrogen 3.080 N/A PHE 152.A N PRO 148.A O no hydrogen 3.024 N/A ALA 153.A N LYS 149.A O no hydrogen 2.839 N/A VAL 154.A N PHE 150.A O no hydrogen 2.859 N/A PHE 156.A N PHE 152.A O no hydrogen 2.765 N/A ASN 157.A N ALA 153.A O no hydrogen 2.696 N/A ASN 157.A ND2 ALA 113.A O no hydrogen 2.963 N/A ALA 158.A N LYS 155.A O no hydrogen 3.085 N/A LEU 159.A N PHE 156.A O no hydrogen 3.169 N/A GLU 160.A N ASN 157.A O no hydrogen 3.027 N/A ASP 162.A N ASP 165.A OD2 no hydrogen 3.080 N/A SER 164.A OG ASP 162.A OD1 no hydrogen 2.408 N/A ASP 165.A N ASP 162.A OD1 no hydrogen 3.165 N/A LEU 166.A N ASP 162.A O no hydrogen 3.054 N/A ALA 167.A N ASP 163.A O no hydrogen 2.847 N/A ILE 168.A N ASP 165.A O no hydrogen 3.165 N/A PHE 169.A N ASP 165.A O no hydrogen 3.132 N/A ILE 170.A N LEU 166.A O no hydrogen 2.743 N/A ALA 171.A N ALA 167.A O no hydrogen 3.219 N/A VAL 172.A N ILE 168.A O no hydrogen 2.891 N/A ILE 173.A N PHE 169.A O no hydrogen 3.102 N/A ILE 174.A N ILE 170.A O no hydrogen 3.243 N/A LEU 175.A N ALA 171.A O no hydrogen 3.225 N/A SER 176.A OG ILE 173.A O no hydrogen 2.708 N/A ARG 179.A NH1 GLU 106.A OE1 no hydrogen 3.551 N/A ARG 179.A NH1 GLU 106.A OE2 no hydrogen 2.940 N/A ARG 179.A NH2 GLU 106.A OE1 no hydrogen 3.036 N/A ARG 179.A NH2 ILE 173.A O no hydrogen 2.996 N/A LEU 183.A N ASP 95.A OD1 no hydrogen 2.848 N/A ASN 184.A N ASP 95.A OD2 no hydrogen 3.015 N/A LYS 186.A NZ ASP 190.A OD1 no hydrogen 3.225 N/A LYS 186.A NZ ASP 190.A OD2 no hydrogen 3.177 N/A GLU 189.A N VAL 185.A O no hydrogen 2.868 N/A ASP 190.A N LYS 186.A O no hydrogen 3.006 N/A ILE 191.A N PRO 187.A O no hydrogen 3.343 N/A GLN 192.A N ILE 188.A O no hydrogen 2.961 N/A GLN 192.A NE2 VAL 172.A O no hydrogen 2.992 N/A ASP 193.A N GLU 189.A O no hydrogen 2.831 N/A LEU 195.A N ILE 191.A O no hydrogen 2.995 N/A LEU 196.A N GLN 192.A O no hydrogen 2.748 N/A GLN 197.A N ASP 193.A O no hydrogen 3.090 N/A ALA 198.A N ASN 194.A O no hydrogen 3.021 N/A LEU 199.A N LEU 195.A O no hydrogen 2.777 N/A GLU 200.A N LEU 196.A O no hydrogen 2.858 N/A LEU 201.A N GLN 197.A O no hydrogen 3.211 N/A GLN 202.A N ALA 198.A O no hydrogen 2.935 N/A GLN 202.A NE2 ASP 165.A OD1 no hydrogen 2.986 N/A LEU 203.A N LEU 199.A O no hydrogen 2.837 N/A LYS 204.A N GLU 200.A O no hydrogen 3.065 N/A LEU 205.A N LEU 201.A O no hydrogen 2.907 N/A ASN 206.A N GLN 202.A O no hydrogen 2.785 N/A ASN 206.A ND2 ASP 162.A OD2 no hydrogen 2.963 N/A ASN 206.A ND2 ASP 165.A OD1 no hydrogen 3.192 N/A ASN 206.A ND2 ASP 165.A OD2 no hydrogen 3.193 N/A HIS 207.A N LEU 203.A O no hydrogen 2.982 N/A HIS 207.A NE2 ASP 165.A OD2 no hydrogen 2.712 N/A SER 210.A N HIS 207.A O no hydrogen 3.149 N/A LYS 216.A N GLN 212.A O no hydrogen 3.024 N/A LEU 217.A N LEU 213.A O no hydrogen 2.745 N/A LEU 218.A N PHE 214.A O no hydrogen 3.131 N/A GLN 219.A N ALA 215.A O no hydrogen 3.190 N/A LYS 220.A N LEU 217.A O no hydrogen 3.039 N/A MET 221.A N LEU 218.A O no hydrogen 3.156 N/A THR 222.A N GLN 219.A O no hydrogen 3.366 N/A THR 222.A OG1 GLN 219.A O no hydrogen 3.132 N/A LEU 224.A N LYS 220.A O no hydrogen 3.143 N/A ARG 225.A N MET 221.A O no hydrogen 2.964 N/A ARG 225.A NH1 ASP 178.A OD2 no hydrogen 3.004 N/A GLN 226.A N THR 222.A O no hydrogen 3.201 N/A GLN 226.A NE2 GLU 230.A OE2 no hydrogen 3.295 N/A ILE 227.A N ASP 223.A O no hydrogen 3.202 N/A VAL 228.A N LEU 224.A O no hydrogen 3.252 N/A THR 229.A N ARG 225.A O no hydrogen 3.202 N/A THR 229.A OG1 ARG 225.A O no hydrogen 3.401 N/A THR 229.A OG1 GLN 226.A O no hydrogen 2.553 N/A GLU 230.A N GLN 226.A O no hydrogen 3.050 N/A HIS 231.A N ILE 227.A O no hydrogen 2.914 N/A HIS 231.A NE2 TYR 255.A OH no hydrogen 2.748 N/A VAL 232.A N VAL 228.A O no hydrogen 2.855 N/A GLN 233.A N THR 229.A O no hydrogen 3.173 N/A LEU 234.A N GLU 230.A O no hydrogen 3.047 N/A LEU 235.A N HIS 231.A O no hydrogen 2.979 N/A LEU 235.A N VAL 232.A O no hydrogen 3.031 N/A GLN 236.A N VAL 232.A O no hydrogen 3.263 N/A ILE 238.A N LEU 234.A O no hydrogen 3.411 N/A LYS 239.A N LEU 235.A O no hydrogen 2.989 N/A LYS 240.A N GLN 236.A O no hydrogen 3.116 N/A THR 241.A N VAL 237.A O no hydrogen 2.898 N/A THR 241.A OG1 VAL 237.A O no hydrogen 2.730 N/A GLU 242.A N ILE 238.A O no hydrogen 2.644 N/A MET 245.A N GLU 242.A O no hydrogen 3.281 N/A LEU 250.A N HIS 248.A ND1 no hydrogen 3.325 N/A LEU 251.A N HIS 248.A O no hydrogen 2.993 N/A GLN 252.A N HIS 248.A O no hydrogen 3.027 N/A GLN 252.A NE2 LEU 247.A O no hydrogen 3.227 N/A GLU 253.A N PRO 249.A O no hydrogen 2.930 N/A ILE 254.A N LEU 250.A O no hydrogen 3.292 N/A TYR 255.A N LEU 251.A O no hydrogen 2.924 N/A TYR 255.A OH HIS 231.A NE2 no hydrogen 2.748 N/A LYS 256.A N GLN 252.A O no hydrogen 2.833 N/A LYS 256.A NZ LYS 256.A O no hydrogen 3.522 N/A