Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2we2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG PRO 2.A O no hydrogen 3.067 N/A CYS 1.A SG HIS 53.A NE2 no hydrogen 3.666 N/A HIS 3.A ND1 GLU 241.A OE1 no hydrogen 2.957 N/A ILE 4.A N THR 239.A O no hydrogen 2.765 N/A ARG 5.A N ARG 48.A O no hydrogen 3.138 N/A TYR 6.A N GLU 241.A O no hydrogen 2.961 N/A ALA 7.A N TYR 46.A O no hydrogen 2.834 N/A GLN 9.A N GLY 44.A O no hydrogen 2.980 N/A ASN 10.A ND2 LEU 43.A O no hydrogen 3.176 N/A LYS 12.A N ASN 10.A OD1 no hydrogen 2.881 N/A LEU 13.A N ASN 10.A O no hydrogen 3.143 N/A LEU 14.A N VAL 26.A O no hydrogen 2.813 N/A GLN 16.A N THR 24.A O no hydrogen 2.840 N/A GLN 16.A NE2 GLN 17.A OE1.A no hydrogen 2.888 N/A GLN 16.A NE2 GLN 17.A OE1.B no hydrogen 2.900 N/A GLN 17.A NE2.A SER 19.A OG no hydrogen 3.115 N/A GLN 17.A NE2.B SER 19.A OG no hydrogen 3.399 N/A SER 19.A N ARG 22.A O no hydrogen 2.983 N/A ARG 22.A N SER 19.A O no hydrogen 2.906 N/A LEU 23.A N LEU 103.A O no hydrogen 2.886 N/A THR 24.A N GLN 17.A O.A no hydrogen 2.944 N/A THR 24.A N GLN 17.A O.B no hydrogen 2.946 N/A THR 24.A OG1 HIS 102.A ND1 no hydrogen 2.852 N/A LEU 25.A N ILE 101.A O no hydrogen 2.825 N/A VAL 26.A N LEU 14.A O no hydrogen 2.848 N/A ASN 27.A N LEU 99.A O no hydrogen 3.221 N/A ASN 27.A ND2 THR 29.A O no hydrogen 2.920 N/A ASN 27.A ND2 LEU 94.A O no hydrogen 3.290 N/A ASN 27.A ND2 ARG 95.A O no hydrogen 3.002 N/A LYS 28.A N LYS 12.A O no hydrogen 2.875 N/A ILE 31.A N.A LEU 94.A O no hydrogen 2.913 N/A ILE 31.A N.B LEU 94.A O no hydrogen 2.914 N/A LEU 33.A N SER 92.A O no hydrogen 2.780 N/A THR 38.A OG1 MET 168.A O.A no hydrogen 2.640 N/A THR 38.A OG1 MET 168.A O.B no hydrogen 3.237 N/A THR 39.A N LEU 84.A O no hydrogen 3.019 N/A VAL 41.A N LEU 82.A O no hydrogen 2.802 N/A LEU 43.A N LEU 80.A O.A no hydrogen 3.136 N/A LEU 43.A N LEU 80.A O.B no hydrogen 3.150 N/A GLY 44.A N GLU 79.A OE2 no hydrogen 2.816 N/A TYR 46.A N ALA 7.A O no hydrogen 2.903 N/A ARG 48.A N ARG 5.A O no hydrogen 2.810 N/A HIS 53.A N PRO 50.A O no hydrogen 3.122 N/A HIS 53.A ND1 GLU 51.A O no hydrogen 2.783 N/A GLY 54.A N PHE 106.A O no hydrogen 2.863 N/A LEU 55.A N ILE 72.A O no hydrogen 3.215 N/A MET 56.A N.A ALA 104.A O no hydrogen 2.771 N/A MET 56.A N.B ALA 104.A O no hydrogen 2.787 N/A LEU 57.A N GLY 70.A O no hydrogen 2.884 N/A TRP 58.A N HIS 102.A O no hydrogen 2.990 N/A TRP 58.A NE1 ASP 223.A OD2 no hydrogen 2.890 N/A SER 60.A N LYS 100.A O no hydrogen 2.833 N/A THR 61.A OG1 GLU 98.A O no hydrogen 2.707 N/A ARG 63.A N THR 61.A OG1 no hydrogen 3.133 N/A VAL 65.A N ARG 63.A O no hydrogen 2.787 N/A THR 66.A N GLN 85.A O no hydrogen 2.896 N/A SER 67.A OG.A GLY 59.A O no hydrogen 3.240 N/A SER 67.A OG.B HIS 68.A O no hydrogen 3.123 N/A HIS 68.A N ILE 83.A O no hydrogen 2.855 N/A GLY 70.A N LEU 57.A O no hydrogen 2.794 N/A ILE 72.A N LEU 55.A O no hydrogen 2.773 N/A TYR 76.A N ASP 73.A O no hydrogen 3.032 N/A TYR 76.A OH GLU 79.A O no hydrogen 2.732 N/A LEU 80.A N.A LEU 45.A O no hydrogen 2.879 N/A LEU 80.A N.B LEU 45.A O no hydrogen 2.880 N/A LEU 82.A N VAL 41.A O no hydrogen 2.944 N/A LEU 84.A N THR 39.A O no hydrogen 2.751 N/A GLN 85.A N THR 66.A O no hydrogen 2.827 N/A GLN 85.A NE2 THR 38.A OG1 no hydrogen 2.869 N/A ASN 86.A ND2 TYR 90.A O no hydrogen 2.863 N/A GLN 87.A N PRO 64.A O no hydrogen 2.941 N/A GLN 87.A NE2 THR 66.A OG1 no hydrogen 2.883 N/A ARG 88.A N ASN 86.A OD1 no hydrogen 2.875 N/A ARG 88.A NH1 ASN 91.A O no hydrogen 2.868 N/A SER 92.A N LEU 33.A O no hydrogen 2.916 N/A SER 92.A OG ASN 86.A OD1 no hydrogen 2.767 N/A LEU 94.A N ILE 31.A O.A no hydrogen 2.848 N/A LEU 94.A N ILE 31.A O.B no hydrogen 2.781 N/A ARG 95.A N GLU 98.A OE1 no hydrogen 2.833 N/A SER 97.A N ASN 27.A O no hydrogen 2.828 N/A SER 97.A OG.B PRO 96.A O no hydrogen 2.480 N/A GLU 98.A N ARG 95.A O no hydrogen 2.937 N/A LEU 99.A N ASN 27.A OD1 no hydrogen 2.898 N/A LYS 100.A N SER 60.A O no hydrogen 2.965 N/A LYS 100.A NZ SER 97.A O no hydrogen 3.417 N/A LYS 100.A NZ GLU 98.A O no hydrogen 2.956 N/A ILE 101.A N LEU 25.A O no hydrogen 2.810 N/A HIS 102.A N TRP 58.A O no hydrogen 2.771 N/A HIS 102.A ND1 THR 24.A OG1 no hydrogen 2.852 N/A LEU 103.A N LEU 23.A O no hydrogen 2.925 N/A ALA 104.A N MET 56.A O.A no hydrogen 3.121 N/A ALA 104.A N MET 56.A O.B no hydrogen 3.108 N/A PHE 106.A N GLY 54.A O no hydrogen 3.040 N/A ARG 107.A N HIS 213.A NE2 no hydrogen 2.838 N/A ALA 109.A N TYR 208.A O no hydrogen 3.097 N/A ASN 116.A N ASP 127.A O no hydrogen 2.805 N/A SER 123.A N PRO 121.A O no hydrogen 2.410 N/A VAL 124.A N ASP 73.A OD1 no hydrogen 2.932 N/A LEU 126.A N LEU 206.A O no hydrogen 2.864 N/A VAL 128.A N CYS 204.A O no hydrogen 2.946 N/A SER 129.A N PRO 114.A O no hydrogen 2.798 N/A SER 129.A OG PRO 114.A O no hydrogen 3.430 N/A SER 129.A OG ASN 116.A OD1 no hydrogen 2.997 N/A SER 129.A OG TYR 200.A O no hydrogen 3.559 N/A LEU 130.A N ARG 201.A O no hydrogen 2.780 N/A LEU 134.A N LEU 197.A O no hydrogen 2.752 N/A LEU 136.A N VAL 195.A O no hydrogen 2.781 N/A HIS 139.A N ASN 189.A O no hydrogen 2.707 N/A THR 141.A OG1 THR 188.A OG1 no hydrogen 2.691 N/A VAL 142.A N LEU 187.A O no hydrogen 2.830 N/A SER 143.A OG SER 186.A OG no hydrogen 2.748 N/A VAL 144.A N VAL 185.A O no hydrogen 2.962 N/A THR 145.A OG1 ASP 184.A OD1 no hydrogen 2.654 N/A LEU 146.A N VAL 183.A O no hydrogen 2.880 N/A HIS 156.A N ILE 153.A O no hydrogen 3.094 N/A HIS 156.A ND1 PRO 154.A O no hydrogen 2.903 N/A ARG 157.A N LEU 209.A O no hydrogen 2.771 N/A ARG 157.A NH1 HIS 156.A O no hydrogen 3.028 N/A THR 159.A N.A VAL 207.A O no hydrogen 2.813 N/A THR 159.A N.B VAL 207.A O no hydrogen 2.845 N/A THR 159.A OG1.A VAL 207.A O no hydrogen 2.777 N/A THR 159.A OG1.B ARG 157.A O no hydrogen 3.129 N/A ILE 160.A N CYS 176.A O no hydrogen 2.777 N/A PHE 161.A N GLN 205.A O no hydrogen 2.930 N/A ARG 163.A NE ASP 127.A OD1 no hydrogen 3.002 N/A ARG 163.A NH2 GLY 125.A O no hydrogen 3.348 N/A ARG 163.A NH2 ASP 127.A OD1 no hydrogen 2.808 N/A ALA 167.A N ARG 163.A O no hydrogen 3.223 N/A MET 168.A N.A SER 164.A O.A no hydrogen 2.872 N/A MET 168.A N.A SER 164.A O.B no hydrogen 2.768 N/A MET 168.A N.B SER 164.A O.A no hydrogen 2.912 N/A MET 168.A N.B SER 164.A O.B no hydrogen 2.807 N/A GLN 169.A N GLY 165.A O no hydrogen 3.399 N/A GLN 169.A N LEU 166.A O no hydrogen 2.990 N/A GLY 170.A N ALA 167.A O no hydrogen 2.947 N/A ILE 171.A N LEU 166.A O no hydrogen 2.975 N/A LEU 172.A N THR 188.A O no hydrogen 3.028 N/A LYS 174.A N SER 186.A O no hydrogen 3.076 N/A CYS 176.A N ILE 160.A O no hydrogen 3.107 N/A CYS 176.A SG LYS 174.A O no hydrogen 3.740 N/A ARG 177.A NE.B PRO 158.A O no hydrogen 2.941 N/A ARG 177.A NE.B THR 159.A OG1.B no hydrogen 3.342 N/A ARG 177.A NH2.B PRO 158.A O no hydrogen 2.875 N/A TRP 178.A N PRO 158.A O no hydrogen 2.908 N/A GLY 182.A N ARG 179.A O no hydrogen 2.960 N/A VAL 183.A N LEU 146.A O no hydrogen 3.031 N/A VAL 185.A N VAL 144.A O no hydrogen 2.751 N/A SER 186.A OG SER 143.A OG no hydrogen 2.748 N/A LEU 187.A N VAL 142.A O no hydrogen 2.840 N/A THR 188.A N LEU 172.A O no hydrogen 2.910 N/A THR 188.A OG1 THR 141.A OG1 no hydrogen 2.691 N/A ASN 189.A N GLN 140.A O no hydrogen 2.988 N/A ASN 189.A ND2 LEU 136.A O no hydrogen 2.921 N/A ASN 189.A ND2 GLN 193.A O no hydrogen 2.813 N/A PHE 190.A N GLY 170.A O no hydrogen 2.814 N/A SER 191.A N ASN 189.A OD1 no hydrogen 2.909 N/A SER 191.A OG ASN 189.A OD1 no hydrogen 2.749 N/A GLN 193.A N SER 191.A OG no hydrogen 3.174 N/A VAL 195.A N LEU 136.A O no hydrogen 2.922 N/A LEU 197.A N LEU 134.A O no hydrogen 2.870 N/A LYS 199.A N ASP 133.A OD1 no hydrogen 2.737 N/A LYS 199.A NZ TYR 200.A OH no hydrogen 3.377 N/A TYR 200.A N LEU 130.A O no hydrogen 2.750 N/A ARG 201.A N ASN 198.A O no hydrogen 3.070 N/A ARG 201.A NH1 ARG 202.A O no hydrogen 2.744 N/A PHE 203.A N VAL 128.A O no hydrogen 2.982 N/A GLN 205.A N PHE 161.A O no hydrogen 2.799 N/A LEU 206.A N LEU 126.A O no hydrogen 2.763 N/A VAL 207.A N THR 159.A O.A no hydrogen 3.023 N/A VAL 207.A N THR 159.A O.B no hydrogen 2.789 N/A TYR 208.A OH PRO 151.A O no hydrogen 2.641 N/A LEU 209.A N ARG 157.A O no hydrogen 3.134 N/A HIS 210.A N ARG 107.A O no hydrogen 3.005 N/A LYS 211.A N HIS 155.A O no hydrogen 2.825 N/A HIS 212.A N HIS 210.A ND1 no hydrogen 3.036 N/A HIS 213.A N HIS 210.A O no hydrogen 2.863 N/A HIS 213.A ND1 ARG 234.A O no hydrogen 2.793 N/A LEU 214.A N LYS 211.A O no hydrogen 3.170 N/A THR 215.A N LEU 232.A O no hydrogen 2.987 N/A PHE 217.A N THR 215.A OG1 no hydrogen 3.183 N/A HIS 221.A N SER 219.A OG no hydrogen 2.940 N/A SER 222.A N SER 219.A O no hydrogen 3.163 N/A SER 222.A OG PHE 217.A O no hydrogen 2.782 N/A ASP 223.A N PHE 233.A O no hydrogen 2.967 N/A GLY 225.A N ASP 223.A OD1 no hydrogen 2.629 N/A LEU 232.A N THR 215.A O no hydrogen 2.966 N/A PHE 233.A N ASP 223.A O no hydrogen 3.069 N/A ARG 234.A N HIS 213.A O no hydrogen 2.862 N/A ARG 234.A NE HIS 212.A O no hydrogen 2.846 N/A ARG 234.A NH2 HIS 212.A O no hydrogen 3.043 N/A TRP 235.A NE1 VAL 20.A O no hydrogen 2.813 N/A ALA 236.A N ALA 105.A O no hydrogen 2.862 N/A CYS 238.A N ALA 236.A O no hydrogen 3.026 N/A GLU 241.A N ILE 4.A O no hydrogen 2.790 N/A VAL 243.A N TYR 6.A O no hydrogen 2.759 N/A LEU 246.A N VAL 243.A O no hydrogen 3.000 N/A ALA 247.A N PRO 244.A O no hydrogen 3.132 N/A