Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wpa_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 8.A N TYR 4.A O no hydrogen 2.852 N/A HIS 9.A N HIS 5.A O no hydrogen 3.170 N/A THR 10.A N GLU 6.A O no hydrogen 3.123 N/A THR 10.A OG1 GLU 6.A O no hydrogen 2.890 N/A TYR 11.A N ASP 7.A O no hydrogen 3.016 N/A LEU 12.A N ILE 8.A O no hydrogen 2.801 N/A ARG 13.A N HIS 9.A O no hydrogen 2.859 N/A ARG 13.A NH1 THR 206.A O no hydrogen 3.119 N/A GLU 14.A N THR 10.A O no hydrogen 3.120 N/A MET 15.A N TYR 11.A O no hydrogen 2.934 N/A GLU 16.A N LEU 12.A O no hydrogen 2.871 N/A LYS 18.A N MET 15.A O no hydrogen 3.231 N/A CYS 19.A N MET 15.A O no hydrogen 2.994 N/A LYS 22.A N SER 70.A OG no hydrogen 2.764 N/A TYR 25.A N LYS 22.A O no hydrogen 3.231 N/A TYR 25.A OH ASP 66.A OD1 no hydrogen 2.779 N/A GLN 29.A N TYR 25.A O no hydrogen 3.241 N/A GLN 29.A N MET 26.A O no hydrogen 3.190 N/A ARG 37.A N THR 33.A O no hydrogen 3.130 N/A ARG 37.A NE ASP 66.A OD1 no hydrogen 2.906 N/A ARG 37.A NH1 LEU 167.A O no hydrogen 2.928 N/A ARG 37.A NH2 ASP 66.A OD1 no hydrogen 3.236 N/A ARG 37.A NH2 ASP 66.A OD2 no hydrogen 2.966 N/A ARG 37.A NH2 LEU 167.A O no hydrogen 3.319 N/A ALA 38.A N ASN 34.A O no hydrogen 2.898 N/A ILE 39.A N SER 35.A O no hydrogen 2.975 N/A LEU 40.A N MET 36.A O no hydrogen 2.957 N/A VAL 41.A N ARG 37.A O no hydrogen 2.863 N/A ASP 42.A N ALA 38.A O no hydrogen 3.072 N/A TRP 43.A N ILE 39.A O no hydrogen 3.009 N/A LEU 44.A N LEU 40.A O no hydrogen 3.043 N/A LEU 44.A N VAL 41.A O no hydrogen 2.687 N/A VAL 45.A N VAL 41.A O no hydrogen 2.885 N/A GLU 46.A N ASP 42.A O no hydrogen 3.279 N/A VAL 47.A N TRP 43.A O no hydrogen 2.859 N/A GLY 48.A N LEU 44.A O no hydrogen 2.754 N/A GLU 49.A N VAL 45.A O no hydrogen 3.180 N/A GLU 50.A N GLU 46.A O no hydrogen 3.103 N/A TYR 51.A N VAL 47.A O no hydrogen 3.193 N/A TYR 51.A OH GLU 103.A OE2 no hydrogen 2.669 N/A LYS 52.A N GLU 49.A O no hydrogen 3.401 N/A LEU 53.A N GLY 48.A O no hydrogen 2.872 N/A GLN 54.A N GLU 95.A OE2 no hydrogen 2.748 N/A ASN 55.A ND2 TYR 244.A OH no hydrogen 3.494 N/A THR 57.A OG1 GLU 95.A OE2 no hydrogen 2.749 N/A HIS 59.A N ASN 55.A O no hydrogen 3.177 N/A LEU 60.A N GLU 56.A O no hydrogen 2.941 N/A ALA 61.A N THR 57.A O no hydrogen 2.988 N/A VAL 62.A N LEU 58.A O no hydrogen 3.158 N/A ASN 63.A N HIS 59.A O no hydrogen 3.079 N/A TYR 64.A N LEU 60.A O no hydrogen 2.945 N/A TYR 64.A OH LEU 132.A O no hydrogen 2.726 N/A ILE 65.A N ALA 61.A O no hydrogen 2.887 N/A ASP 66.A N VAL 62.A O no hydrogen 3.037 N/A ARG 67.A N ASN 63.A O no hydrogen 3.211 N/A ARG 67.A NH1 ASN 63.A OD1 no hydrogen 2.804 N/A ARG 67.A NH1 ASP 131.A O no hydrogen 3.229 N/A ARG 67.A NH2 ASP 131.A O no hydrogen 3.157 N/A PHE 68.A N TYR 64.A O no hydrogen 2.964 N/A LEU 69.A N ILE 65.A O no hydrogen 2.954 N/A SER 70.A N ASP 66.A O no hydrogen 3.001 N/A SER 70.A OG ASP 66.A O no hydrogen 2.965 N/A SER 71.A N PHE 68.A O no hydrogen 3.167 N/A MET 72.A N PHE 68.A O no hydrogen 2.928 N/A ARG 76.A N ASP 31.A OD2 no hydrogen 2.716 N/A LYS 78.A N LEU 75.A O no hydrogen 2.813 N/A LEU 79.A N ARG 76.A O no hydrogen 3.160 N/A LEU 81.A N LYS 78.A O no hydrogen 2.963 N/A VAL 82.A N LYS 78.A O no hydrogen 3.221 N/A GLY 83.A N LEU 79.A O no hydrogen 3.146 N/A THR 84.A N GLN 80.A O no hydrogen 2.853 N/A THR 84.A OG1 GLN 80.A O no hydrogen 2.786 N/A ALA 85.A N LEU 81.A O no hydrogen 3.047 N/A ALA 86.A N VAL 82.A O no hydrogen 2.937 N/A MET 87.A N GLY 83.A O no hydrogen 3.094 N/A LEU 88.A N THR 84.A O no hydrogen 2.931 N/A LEU 89.A N ALA 85.A O no hydrogen 2.903 N/A ALA 90.A N ALA 86.A O no hydrogen 2.847 N/A SER 91.A N MET 87.A O no hydrogen 2.818 N/A SER 91.A OG MET 87.A O no hydrogen 3.011 N/A LYS 92.A N LEU 88.A O no hydrogen 3.023 N/A LYS 92.A NZ GLU 121.A OE2 no hydrogen 2.832 N/A PHE 93.A N LEU 89.A O no hydrogen 2.992 N/A GLU 94.A N ALA 90.A O no hydrogen 2.977 N/A GLU 95.A N SER 91.A O no hydrogen 2.768 N/A GLU 103.A N GLU 100.A O no hydrogen 2.928 N/A PHE 104.A N GLU 100.A O no hydrogen 3.409 N/A VAL 105.A N VAL 101.A O no hydrogen 2.910 N/A TYR 106.A N ALA 102.A O no hydrogen 3.013 N/A ILE 107.A N GLU 103.A O no hydrogen 2.942 N/A THR 108.A N VAL 105.A O no hydrogen 3.256 N/A THR 108.A OG1 VAL 105.A O no hydrogen 2.564 N/A ASP 109.A N TYR 106.A O no hydrogen 3.054 N/A THR 111.A N THR 108.A O no hydrogen 3.395 N/A THR 111.A OG1 THR 108.A O no hydrogen 2.654 N/A TYR 112.A OH GLY 77.A O no hydrogen 2.637 N/A THR 113.A N GLN 116.A OE1 no hydrogen 2.861 N/A GLN 116.A N THR 113.A OG1 no hydrogen 2.851 N/A VAL 117.A N THR 113.A O no hydrogen 2.997 N/A LEU 118.A N LYS 114.A O no hydrogen 3.050 N/A ARG 119.A N LYS 115.A O no hydrogen 3.086 N/A MET 120.A N GLN 116.A O no hydrogen 2.993 N/A GLU 121.A N VAL 117.A O no hydrogen 3.028 N/A HIS 122.A N LEU 118.A O no hydrogen 3.216 N/A LEU 123.A N ARG 119.A O no hydrogen 3.085 N/A VAL 124.A N MET 120.A O no hydrogen 2.776 N/A LEU 125.A N GLU 121.A O no hydrogen 3.033 N/A LYS 126.A N HIS 122.A O no hydrogen 2.850 N/A VAL 127.A N LEU 123.A O no hydrogen 2.804 N/A LEU 128.A N VAL 124.A O no hydrogen 2.821 N/A THR 129.A N LYS 126.A O no hydrogen 3.247 N/A THR 129.A OG1 LEU 128.A O no hydrogen 2.485 N/A THR 129.A OG1 ASP 131.A OD2 no hydrogen 2.895 N/A PHE 130.A N LEU 125.A O no hydrogen 3.017 N/A ASP 131.A N LEU 128.A O no hydrogen 3.082 N/A ALA 134.A N LEU 132.A O no hydrogen 2.892 N/A THR 136.A OG1 GLU 56.A OE1 no hydrogen 2.702 N/A THR 136.A OG1 GLU 56.A OE2 no hydrogen 3.249 N/A GLN 139.A N THR 136.A OG1 no hydrogen 3.247 N/A GLN 139.A NE2 GLU 56.A OE2 no hydrogen 2.686 N/A GLN 139.A NE2 ALA 134.A O no hydrogen 2.966 N/A PHE 140.A N THR 136.A O no hydrogen 3.383 N/A LEU 141.A N VAL 137.A O no hydrogen 2.940 N/A THR 142.A N ASN 138.A O no hydrogen 2.888 N/A THR 142.A OG1 ASN 138.A O no hydrogen 3.083 N/A GLN 143.A N GLN 139.A O no hydrogen 3.301 N/A TYR 144.A N PHE 140.A O no hydrogen 2.948 N/A TYR 144.A OH SER 179.A O no hydrogen 2.903 N/A PHE 145.A N LEU 141.A O no hydrogen 2.797 N/A HIS 147.A N TYR 144.A O no hydrogen 2.842 N/A HIS 147.A ND1 SER 201.A OG no hydrogen 3.162 N/A GLN 148.A N PHE 145.A O no hydrogen 3.044 N/A GLN 149.A NE2 HIS 147.A O no hydrogen 3.542 N/A ASN 152.A N GLN 148.A OE1 no hydrogen 3.216 N/A VAL 155.A N ASN 152.A OD1 no hydrogen 2.903 N/A GLU 156.A N ASN 152.A O no hydrogen 3.075 N/A SER 157.A N CYS 153.A O no hydrogen 2.966 N/A SER 157.A OG CYS 153.A O no hydrogen 3.367 N/A LEU 158.A N LYS 154.A O no hydrogen 2.943 N/A ALA 159.A N VAL 155.A O no hydrogen 3.003 N/A MET 160.A N GLU 156.A O no hydrogen 3.079 N/A PHE 161.A N SER 157.A O no hydrogen 3.000 N/A LEU 162.A N LEU 158.A O no hydrogen 2.928 N/A GLY 163.A N ALA 159.A O no hydrogen 2.932 N/A GLU 164.A N MET 160.A O no hydrogen 2.894 N/A LEU 165.A N PHE 161.A O no hydrogen 3.049 N/A SER 166.A N LEU 162.A O no hydrogen 3.264 N/A SER 166.A OG GLY 163.A O no hydrogen 2.768 N/A LEU 167.A N GLU 164.A O no hydrogen 3.149 N/A ILE 168.A N LEU 165.A O no hydrogen 2.852 N/A TYR 173.A N ASP 169.A O no hydrogen 3.338 N/A TYR 173.A OH THR 223.A OG1 no hydrogen 2.648 N/A LEU 174.A N ALA 170.A O no hydrogen 2.764 N/A LYS 175.A N PRO 172.A O no hydrogen 3.456 N/A TYR 176.A N TYR 173.A O no hydrogen 3.263 N/A TYR 176.A OH ASP 219.A OD2 no hydrogen 2.625 N/A SER 179.A N GLU 16.A OE1 no hydrogen 2.947 N/A SER 179.A OG GLU 16.A OE2 no hydrogen 3.017 N/A SER 179.A OG TYR 208.A OH no hydrogen 2.416 N/A VAL 180.A N LEU 177.A O no hydrogen 2.839 N/A ILE 181.A N LEU 177.A O no hydrogen 3.014 N/A ALA 182.A N PRO 178.A O no hydrogen 2.762 N/A GLY 183.A N SER 179.A O no hydrogen 3.089 N/A ALA 184.A N VAL 180.A O no hydrogen 2.938 N/A ALA 185.A N ILE 181.A O no hydrogen 2.867 N/A PHE 186.A N ALA 182.A O no hydrogen 2.983 N/A HIS 187.A N GLY 183.A O no hydrogen 3.072 N/A LEU 188.A N ALA 184.A O no hydrogen 2.919 N/A ALA 189.A N ALA 185.A O no hydrogen 3.030 N/A LEU 190.A N PHE 186.A O no hydrogen 2.898 N/A TYR 191.A N HIS 187.A O no hydrogen 2.851 N/A THR 192.A N LEU 188.A O no hydrogen 3.014 N/A THR 192.A OG1 LEU 188.A O no hydrogen 3.036 N/A VAL 193.A N ALA 189.A O no hydrogen 3.085 N/A THR 194.A N LEU 190.A O no hydrogen 2.865 N/A THR 194.A OG1 LEU 190.A O no hydrogen 2.761 N/A THR 194.A OG1 GLN 196.A OE1 no hydrogen 2.580 N/A GLY 195.A N TYR 191.A O no hydrogen 2.937 N/A GLN 196.A N THR 194.A OG1 no hydrogen 3.287 N/A TRP 198.A N HIS 187.A ND1 no hydrogen 3.107 N/A TRP 198.A NE1 TYR 208.A O no hydrogen 2.789 N/A SER 201.A OG HIS 147.A ND1 no hydrogen 3.162 N/A LEU 202.A N PRO 199.A O no hydrogen 3.076 N/A ILE 203.A N PRO 199.A O no hydrogen 3.295 N/A ARG 204.A N GLU 200.A O no hydrogen 3.146 N/A LYS 205.A N SER 201.A O no hydrogen 2.965 N/A THR 206.A N LEU 202.A O no hydrogen 2.889 N/A THR 206.A OG1 LEU 202.A O no hydrogen 2.642 N/A GLY 207.A N ILE 203.A O no hydrogen 2.928 N/A TYR 208.A N THR 206.A OG1 no hydrogen 3.006 N/A TYR 208.A OH SER 179.A OG no hydrogen 2.416 N/A THR 209.A N SER 212.A OG no hydrogen 2.843 N/A SER 212.A N THR 209.A OG1 no hydrogen 2.951 N/A SER 212.A OG THR 209.A O no hydrogen 2.801 N/A LEU 213.A N THR 209.A O no hydrogen 3.027 N/A LYS 214.A N GLU 211.A O no hydrogen 3.047 N/A LEU 217.A N LEU 213.A O no hydrogen 2.899 N/A MET 218.A N LYS 214.A O no hydrogen 2.766 N/A ASP 219.A N PRO 215.A O no hydrogen 3.249 N/A LEU 220.A N CYS 216.A O no hydrogen 2.738 N/A HIS 221.A N LEU 217.A O no hydrogen 2.700 N/A HIS 221.A NE2 PRO 253.A O no hydrogen 3.027 N/A GLN 222.A N MET 218.A O no hydrogen 3.144 N/A THR 223.A N ASP 219.A O no hydrogen 3.097 N/A THR 223.A OG1 TYR 173.A OH no hydrogen 2.648 N/A THR 223.A OG1 ASP 219.A O no hydrogen 3.006 N/A TYR 224.A N LEU 220.A O no hydrogen 2.915 N/A TYR 224.A OH LEU 250.A O no hydrogen 3.328 N/A LEU 225.A N HIS 221.A O no hydrogen 2.839 N/A LYS 226.A N GLN 222.A O no hydrogen 2.779 N/A ALA 227.A N TYR 224.A O no hydrogen 3.312 N/A GLN 229.A N LYS 226.A O no hydrogen 3.111 N/A HIS 230.A N ALA 227.A O no hydrogen 3.237 N/A HIS 230.A NE2 ASP 169.A OD1 no hydrogen 2.941 N/A GLN 232.A N HIS 230.A ND1 no hydrogen 2.772 N/A GLN 233.A NE2 ALA 227.A O no hydrogen 3.177 N/A GLN 233.A NE2 HIS 230.A O no hydrogen 3.256 N/A SER 234.A N ASP 42.A OD1 no hydrogen 3.039 N/A SER 234.A OG ASP 42.A O no hydrogen 3.477 N/A SER 234.A OG ASP 42.A OD1 no hydrogen 3.463 N/A SER 234.A OG ASP 42.A OD2 no hydrogen 2.696 N/A GLU 237.A N GLN 233.A O no hydrogen 3.142 N/A LYS 238.A N SER 234.A O no hydrogen 3.035 N/A LYS 238.A NZ ASN 55.A OD1 no hydrogen 2.923 N/A LYS 238.A NZ GLU 164.A OE2 no hydrogen 2.530 N/A TYR 239.A N ILE 235.A O no hydrogen 2.993 N/A TYR 239.A OH GLU 164.A OE1 no hydrogen 2.868 N/A LYS 240.A N GLU 237.A O no hydrogen 3.229 N/A LYS 240.A NZ GLU 237.A OE1 no hydrogen 3.548 N/A LYS 243.A N ASN 241.A OD1 no hydrogen 2.722 N/A TYR 244.A N ASN 241.A O no hydrogen 3.132 N/A HIS 245.A N SER 242.A O no hydrogen 2.765 N/A GLY 246.A N ASN 241.A O no hydrogen 3.261 N/A VAL 247.A N TYR 244.A O no hydrogen 3.260 N/A SER 248.A N TYR 239.A O no hydrogen 3.219 N/A SER 248.A OG ARG 236.A O no hydrogen 2.991 N/A LEU 249.A N GLY 246.A O no hydrogen 2.954 N/A LEU 250.A N VAL 247.A O no hydrogen 3.344 N/A