Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7xce_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N GLU 1.A O no hydrogen 3.367 N/A ASN 5.A N GLY 2.A O no hydrogen 3.344 N/A GLN 13.A N PHE 10.A O no hydrogen 3.070 N/A THR 15.A OG1 GLY 12.A O no hydrogen 3.475 N/A THR 28.A N HIS 31.A ND1 no hydrogen 3.233 N/A THR 28.A OG1 HIS 31.A ND1 no hydrogen 2.833 N/A HIS 31.A N THR 28.A OG1 no hydrogen 3.265 N/A HIS 31.A ND1 THR 28.A OG1 no hydrogen 2.833 N/A HIS 31.A NE2 LEU 60.A O no hydrogen 2.752 N/A VAL 32.A N THR 28.A O no hydrogen 3.170 N/A ALA 33.A N PRO 29.A O no hydrogen 2.798 N/A SER 34.A N LEU 30.A O no hydrogen 3.004 N/A SER 34.A OG LEU 30.A O no hydrogen 2.937 N/A LYS 35.A N HIS 31.A O no hydrogen 2.924 N/A LYS 35.A NZ SER 69.A OG no hydrogen 3.034 N/A ARG 36.A N VAL 32.A O no hydrogen 3.063 N/A GLY 37.A N SER 34.A O no hydrogen 3.120 N/A ASN 38.A N ALA 33.A O no hydrogen 3.166 N/A MET 41.A N ASN 38.A OD1 no hydrogen 3.048 N/A VAL 42.A N ASN 38.A O no hydrogen 2.996 N/A LYS 43.A N ALA 39.A O no hydrogen 2.866 N/A LYS 43.A NZ ASP 47.A OD2 no hydrogen 2.874 N/A LEU 44.A N ASN 40.A O no hydrogen 2.964 N/A LEU 45.A N MET 41.A O no hydrogen 2.888 N/A LEU 46.A N VAL 42.A O no hydrogen 2.841 N/A ASP 47.A N LYS 43.A O no hydrogen 2.876 N/A ARG 48.A N LEU 44.A O no hydrogen 3.115 N/A GLY 49.A N LEU 46.A O no hydrogen 3.012 N/A ALA 50.A N LEU 45.A O no hydrogen 2.919 N/A LYS 55.A NZ SER 87.A OG no hydrogen 3.235 N/A LYS 55.A NZ LYS 88.A O no hydrogen 3.090 N/A THR 56.A N LEU 60.A O no hydrogen 3.062 N/A ARG 57.A N ASP 26.A OD2 no hydrogen 2.855 N/A GLY 59.A N THR 56.A O no hydrogen 2.911 N/A LEU 60.A N THR 56.A OG1 no hydrogen 3.223 N/A THR 61.A N HIS 64.A ND1 no hydrogen 3.067 N/A THR 61.A OG1 HIS 64.A ND1 no hydrogen 2.743 N/A HIS 64.A N THR 61.A OG1 no hydrogen 3.420 N/A HIS 64.A ND1 THR 61.A OG1 no hydrogen 2.743 N/A HIS 64.A NE2 LEU 93.A O no hydrogen 2.846 N/A CYS 65.A N THR 61.A O no hydrogen 3.240 N/A CYS 65.A SG THR 61.A O no hydrogen 3.668 N/A GLY 66.A N PRO 62.A O no hydrogen 2.978 N/A ALA 67.A N LEU 63.A O no hydrogen 3.003 N/A ARG 68.A N HIS 64.A O no hydrogen 2.887 N/A ARG 68.A NH1 ARG 68.A O no hydrogen 2.791 N/A SER 69.A N CYS 65.A O no hydrogen 3.339 N/A GLY 70.A N ALA 67.A O no hydrogen 3.195 N/A HIS 71.A N GLY 66.A O no hydrogen 2.966 N/A HIS 71.A NE2 LYS 35.A O no hydrogen 2.798 N/A VAL 75.A N HIS 71.A O no hydrogen 3.012 N/A GLU 76.A N GLU 72.A O no hydrogen 2.922 N/A MET 77.A N GLN 73.A O no hydrogen 2.924 N/A LEU 78.A N VAL 74.A O no hydrogen 2.827 N/A LEU 79.A N VAL 75.A O no hydrogen 2.837 N/A ASP 80.A N GLU 76.A O no hydrogen 2.724 N/A ARG 81.A N MET 77.A O no hydrogen 3.116 N/A ARG 81.A NH1 ASP 47.A OD1 no hydrogen 3.107 N/A ARG 81.A NH2 ASP 47.A OD1 no hydrogen 2.490 N/A ALA 82.A N LEU 79.A O no hydrogen 2.888 N/A ALA 83.A N LEU 78.A O no hydrogen 2.953 N/A LYS 88.A NZ GLY 92.A O no hydrogen 2.681 N/A LYS 88.A NZ VAL 121.A O no hydrogen 2.785 N/A THR 89.A N LEU 93.A O no hydrogen 3.030 N/A LYS 90.A N ASP 58.A O no hydrogen 2.928 N/A LYS 90.A NZ ASP 58.A OD1 no hydrogen 2.902 N/A GLY 92.A N THR 89.A O no hydrogen 2.693 N/A LEU 93.A N THR 89.A OG1 no hydrogen 3.088 N/A SER 94.A N HIS 97.A ND1 no hydrogen 2.976 N/A SER 94.A OG HIS 97.A ND1 no hydrogen 3.076 N/A SER 94.A OG ASP 120.A OD2 no hydrogen 3.434 N/A HIS 97.A NE2 ASP 120.A O no hydrogen 3.024 N/A HIS 97.A NE2 LEU 126.A O no hydrogen 3.082 N/A MET 98.A N SER 94.A O no hydrogen 3.371 N/A ALA 99.A N PRO 95.A O no hydrogen 2.940 N/A THR 100.A N LEU 96.A O no hydrogen 2.979 N/A THR 100.A OG1 LEU 96.A O no hydrogen 2.802 N/A GLN 101.A N HIS 97.A O no hydrogen 2.951 N/A GLY 102.A N MET 98.A O no hydrogen 3.272 N/A GLY 102.A N ALA 99.A O no hydrogen 3.268 N/A ASP 103.A N THR 100.A O no hydrogen 3.048 N/A HIS 104.A N ALA 99.A O no hydrogen 3.111 N/A HIS 104.A NE2 ARG 68.A O no hydrogen 3.037 N/A ASN 106.A ND2 GLU 72.A OE1 no hydrogen 3.341 N/A CYS 107.A N ASN 106.A OD1 no hydrogen 2.771 N/A CYS 107.A SG ASN 106.A OD1 no hydrogen 3.806 N/A VAL 108.A N HIS 104.A O no hydrogen 3.021 N/A GLN 109.A N LEU 105.A O no hydrogen 3.032 N/A LEU 110.A N ASN 106.A O no hydrogen 2.925 N/A LEU 111.A N CYS 107.A O no hydrogen 2.909 N/A LEU 112.A N VAL 108.A O no hydrogen 2.921 N/A GLN 113.A N GLN 109.A O no hydrogen 2.778 N/A HIS 114.A N LEU 110.A O no hydrogen 3.217 N/A HIS 114.A N LEU 111.A O no hydrogen 3.000 N/A HIS 114.A ND1 LEU 110.A O no hydrogen 3.209 N/A ASN 115.A N LEU 112.A O no hydrogen 3.025 N/A VAL 116.A N LEU 111.A O no hydrogen 3.435 N/A ASP 120.A N PRO 117.A O no hydrogen 3.068 N/A THR 122.A N LEU 126.A O no hydrogen 2.959 N/A ASN 123.A N ASN 91.A O no hydrogen 3.056 N/A TYR 125.A N THR 122.A O no hydrogen 2.928 N/A LEU 126.A N THR 122.A OG1 no hydrogen 3.202 N/A THR 127.A N HIS 130.A ND1 no hydrogen 2.946 N/A THR 127.A OG1 HIS 130.A ND1 no hydrogen 3.193 N/A HIS 130.A N THR 127.A OG1 no hydrogen 3.198 N/A HIS 130.A NE2 PHE 159.A O no hydrogen 3.063 N/A VAL 131.A N THR 127.A O no hydrogen 3.126 N/A ALA 132.A N ALA 128.A O no hydrogen 2.849 N/A ALA 133.A N LEU 129.A O no hydrogen 2.906 N/A HIS 134.A N HIS 130.A O no hydrogen 2.851 N/A CYS 135.A N VAL 131.A O no hydrogen 2.949 N/A CYS 135.A SG VAL 131.A O no hydrogen 3.340 N/A GLY 136.A N ALA 132.A O no hydrogen 2.839 N/A HIS 137.A N ALA 132.A O no hydrogen 2.920 N/A HIS 137.A NE2 GLN 101.A O no hydrogen 2.992 N/A ALA 141.A N HIS 137.A O no hydrogen 3.033 N/A LYS 142.A N TYR 138.A O no hydrogen 3.011 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 3.016 N/A LYS 142.A NZ HIS 180.A NE2 no hydrogen 3.373 N/A VAL 143.A N LYS 139.A O no hydrogen 3.273 N/A LEU 144.A N VAL 140.A O no hydrogen 2.896 N/A LEU 145.A N ALA 141.A O no hydrogen 2.829 N/A ASP 146.A N LYS 142.A O no hydrogen 2.922 N/A LYS 147.A N VAL 143.A O no hydrogen 3.034 N/A LYS 148.A N LEU 145.A O no hydrogen 2.854 N/A ALA 149.A N LEU 144.A O no hydrogen 2.964 N/A ASN 150.A N ASP 119.A OD2 no hydrogen 2.781 N/A ASN 152.A N ASN 150.A OD1 no hydrogen 2.856 N/A ASN 152.A ND2 GLY 181.A O no hydrogen 3.219 N/A ALA 153.A N ASN 150.A O no hydrogen 3.233 N/A ALA 155.A N PHE 159.A O no hydrogen 2.787 N/A LEU 156.A N ASP 124.A O no hydrogen 2.908 N/A GLY 158.A N ALA 155.A O no hydrogen 2.933 N/A PHE 159.A N ASN 157.A OD1 no hydrogen 3.216 N/A THR 160.A N HIS 163.A ND1 no hydrogen 3.237 N/A THR 160.A OG1 HIS 163.A ND1 no hydrogen 3.278 N/A HIS 163.A N THR 160.A OG1 no hydrogen 3.140 N/A HIS 163.A NE2 LEU 192.A O no hydrogen 2.938 N/A ILE 164.A N THR 160.A O no hydrogen 3.025 N/A ALA 165.A N PRO 161.A O no hydrogen 2.860 N/A CYS 166.A N LEU 162.A O no hydrogen 2.969 N/A CYS 166.A SG LEU 162.A O no hydrogen 3.338 N/A CYS 166.A SG PRO 194.A O no hydrogen 3.951 N/A LYS 167.A N HIS 163.A O no hydrogen 2.832 N/A LYS 168.A N ILE 164.A O no hydrogen 2.906 N/A ARG 170.A N ALA 165.A O no hydrogen 2.892 N/A ARG 170.A NE HIS 134.A O no hydrogen 3.023 N/A ARG 170.A NH2 HIS 134.A O no hydrogen 2.923 N/A MET 174.A N ARG 170.A O no hydrogen 2.866 N/A GLU 175.A N ILE 171.A O no hydrogen 2.916 N/A LEU 176.A N ARG 172.A O no hydrogen 2.899 N/A LEU 177.A N VAL 173.A O no hydrogen 2.862 N/A LEU 178.A N MET 174.A O no hydrogen 3.023 N/A LYS 179.A N GLU 175.A O no hydrogen 3.014 N/A HIS 180.A N LEU 176.A O no hydrogen 3.015 N/A HIS 180.A N LEU 177.A O no hydrogen 3.010 N/A GLY 181.A N LEU 178.A O no hydrogen 3.130 N/A ALA 182.A N LEU 177.A O no hydrogen 2.882 N/A SER 183.A N ASN 152.A OD1 no hydrogen 2.595 N/A GLN 185.A N SER 183.A OG no hydrogen 3.305 N/A ALA 186.A N SER 183.A O no hydrogen 3.288 N/A THR 188.A N LEU 192.A O no hydrogen 2.909 N/A GLU 189.A N ASN 157.A O no hydrogen 3.447 N/A SER 190.A N THR 188.A OG1 no hydrogen 3.206 N/A GLY 191.A N THR 188.A O no hydrogen 3.191 N/A LEU 192.A N THR 188.A OG1 no hydrogen 3.228 N/A THR 193.A N HIS 196.A ND1 no hydrogen 3.113 N/A THR 193.A OG1 HIS 196.A ND1 no hydrogen 2.723 N/A HIS 196.A ND1 THR 193.A OG1 no hydrogen 2.723 N/A HIS 196.A NE2 GLU 225.A O no hydrogen 2.902 N/A VAL 197.A N THR 193.A O no hydrogen 3.142 N/A ALA 198.A N PRO 194.A O no hydrogen 2.991 N/A ALA 199.A N ILE 195.A O no hydrogen 2.928 N/A PHE 200.A N HIS 196.A O no hydrogen 3.022 N/A MET 201.A N VAL 197.A O no hydrogen 3.273 N/A GLY 202.A N ALA 199.A O no hydrogen 3.342 N/A HIS 203.A N ALA 198.A O no hydrogen 3.017 N/A HIS 203.A NE2 LYS 167.A O no hydrogen 3.138 N/A VAL 207.A N HIS 203.A O no hydrogen 2.964 N/A SER 208.A N VAL 204.A O no hydrogen 2.886 N/A SER 208.A OG VAL 204.A O no hydrogen 3.555 N/A SER 208.A OG ASN 205.A O no hydrogen 2.925 N/A GLN 209.A N ASN 205.A O no hydrogen 2.910 N/A LEU 210.A N ILE 206.A O no hydrogen 2.771 N/A MET 211.A N VAL 207.A O no hydrogen 2.817 N/A HIS 212.A N SER 208.A O no hydrogen 2.870 N/A HIS 213.A N GLN 209.A O no hydrogen 3.120 N/A HIS 213.A N LEU 210.A O no hydrogen 3.187 N/A HIS 213.A ND1 GLN 209.A O no hydrogen 2.782 N/A GLY 214.A N MET 211.A O no hydrogen 3.173 N/A ALA 215.A N LEU 210.A O no hydrogen 2.865 N/A SER 216.A N GLN 185.A OE1 no hydrogen 2.972 N/A ASN 221.A N GLU 225.A O no hydrogen 2.914 N/A ASN 221.A ND2 GLU 225.A OE2 no hydrogen 3.447 N/A VAL 222.A N SER 190.A O no hydrogen 3.339 N/A GLY 224.A N ASN 221.A O no hydrogen 2.996 N/A GLU 225.A N ASN 221.A OD1 no hydrogen 2.727 N/A THR 226.A N HIS 229.A ND1 no hydrogen 2.998 N/A THR 226.A OG1 HIS 229.A ND1 no hydrogen 2.721 N/A HIS 229.A N THR 226.A OG1 no hydrogen 3.308 N/A HIS 229.A ND1 THR 226.A OG1 no hydrogen 2.721 N/A MET 230.A N THR 226.A O no hydrogen 3.237 N/A ALA 231.A N ALA 227.A O no hydrogen 2.907 N/A ALA 232.A N LEU 228.A O no hydrogen 2.870 N/A ARG 233.A N HIS 229.A O no hydrogen 2.741 N/A SER 234.A N MET 230.A O no hydrogen 3.049 N/A SER 234.A OG PHE 200.A O no hydrogen 2.883 N/A SER 234.A OG MET 230.A O no hydrogen 2.915 N/A SER 234.A OG ALA 231.A O no hydrogen 3.523 N/A GLY 235.A N ALA 232.A O no hydrogen 3.216 N/A GLN 236.A N ALA 231.A O no hydrogen 2.857 N/A GLN 236.A NE2 PHE 200.A O no hydrogen 3.407 N/A GLN 236.A NE2 SER 234.A OG no hydrogen 3.429 N/A VAL 240.A N GLN 236.A O no hydrogen 2.877 N/A ARG 241.A N ALA 237.A O no hydrogen 2.675 N/A TYR 242.A N GLU 238.A O no hydrogen 2.879 N/A LEU 243.A N VAL 239.A O no hydrogen 2.907 N/A VAL 244.A N VAL 240.A O no hydrogen 3.038 N/A GLN 245.A N ARG 241.A O no hydrogen 2.964 N/A ASP 246.A N TYR 242.A O no hydrogen 3.102 N/A