Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kea_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ASP 63.A OD1 no hydrogen 2.929 N/A GLN 3.A NE2 SER 1.A O no hydrogen 3.267 N/A TYR 4.A N ASP 63.A OD2 no hydrogen 3.079 N/A TYR 4.A OH GLU 62.A OE1 no hydrogen 2.692 N/A LEU 7.A N GLY 58.A O no hydrogen 2.890 N/A GLY 9.A N GLU 11.A OE1 no hydrogen 2.927 N/A ALA 10.A N LEU 7.A O no hydrogen 3.045 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.935 N/A PHE 13.A N LEU 51.A O no hydrogen 2.897 N/A ALA 15.A N VAL 49.A O no hydrogen 2.915 N/A ASN 17.A N THR 48.A OG1 no hydrogen 2.890 N/A ASN 17.A ND2 TYR 47.A O no hydrogen 2.962 N/A GLY 18.A N GLY 46.A O no hydrogen 3.164 N/A GLY 21.A N THR 89.A O no hydrogen 2.734 N/A VAL 22.A N THR 48.A O no hydrogen 2.816 N/A LEU 23.A N PHE 91.A O no hydrogen 2.786 N/A LEU 24.A N CYS 50.A O no hydrogen 2.906 N/A VAL 25.A N THR 93.A O no hydrogen 2.841 N/A HIS 26.A ND1 GLY 27.A O no hydrogen 3.023 N/A THR 29.A N HIS 57.A NE2 no hydrogen 3.053 N/A THR 29.A OG1 PHE 28.A O no hydrogen 2.477 N/A GLY 30.A N GLY 27.A O no hydrogen 2.941 N/A THR 31.A OG1 LEU 156.A O no hydrogen 3.069 N/A HIS 33.A N THR 31.A OG1 no hydrogen 3.194 N/A SER 34.A N THR 31.A O no hydrogen 3.310 N/A SER 34.A OG.A GLU 155.A OE1.A no hydrogen 2.568 N/A SER 34.A OG.A GLU 155.A OE1.B no hydrogen 2.445 N/A SER 34.A OG.B THR 31.A O no hydrogen 3.382 N/A MET 35.A N PRO 32.A O no hydrogen 2.983 N/A ARG 36.A N HIS 33.A O no hydrogen 3.437 N/A ARG 36.A NH2 GLY 9.A O no hydrogen 3.008 N/A ARG 36.A NH2 GLU 11.A O no hydrogen 2.882 N/A ALA 39.A N MET 35.A O no hydrogen 3.005 N/A GLU 40.A N ARG 36.A O no hydrogen 2.943 N/A ALA 41.A N PRO 37.A O no hydrogen 3.139 N/A TYR 42.A N LEU 38.A O no hydrogen 2.945 N/A ALA 43.A N ALA 39.A O no hydrogen 2.987 N/A LYS 44.A N GLU 40.A O no hydrogen 2.982 N/A ALA 45.A N ALA 41.A O no hydrogen 3.143 N/A ALA 45.A N TYR 42.A O no hydrogen 3.195 N/A GLY 46.A N ALA 43.A O no hydrogen 2.974 N/A TYR 47.A N TYR 42.A O no hydrogen 3.016 N/A THR 48.A N VAL 20.A O no hydrogen 2.996 N/A THR 48.A OG1 GLY 18.A O no hydrogen 2.563 N/A VAL 49.A N ALA 15.A O no hydrogen 2.811 N/A CYS 50.A N VAL 22.A O no hydrogen 2.979 N/A CYS 50.A SG GLY 79.A O no hydrogen 3.885 N/A LEU 51.A N PHE 13.A O no hydrogen 2.797 N/A ARG 53.A NH1 GLU 2.A OE1 no hydrogen 3.451 N/A ARG 53.A NH1 GLU 2.A OE2 no hydrogen 2.841 N/A ARG 53.A NH1 HIS 57.A O no hydrogen 2.776 N/A ARG 53.A NH2 GLU 2.A OE1 no hydrogen 3.012 N/A ARG 53.A NH2 GLU 2.A OE2 no hydrogen 3.556 N/A LEU 54.A N HIS 26.A NE2 no hydrogen 3.084 N/A LYS 55.A N SER 75.A OG no hydrogen 2.934 N/A GLY 56.A N GLU 2.A OE2 no hydrogen 2.756 N/A HIS 57.A N LEU 54.A O no hydrogen 2.977 N/A HIS 57.A ND1 LYS 55.A O no hydrogen 3.074 N/A THR 59.A N TYR 158.A OH no hydrogen 2.942 N/A THR 59.A OG1 ASP 63.A OD2 no hydrogen 2.865 N/A THR 59.A OG1 TYR 158.A OH no hydrogen 3.353 N/A HIS 60.A N THR 59.A OG1 no hydrogen 2.680 N/A GLU 62.A N HIS 60.A ND1 no hydrogen 2.948 N/A ASP 63.A N HIS 60.A O no hydrogen 2.948 N/A MET 64.A N HIS 60.A O no hydrogen 3.276 N/A GLU 65.A N TYR 61.A O no hydrogen 2.887 N/A ARG 66.A N ASP 63.A O no hydrogen 3.039 N/A ARG 66.A NH2 ASP 63.A OD1 no hydrogen 2.771 N/A THR 67.A N MET 64.A O no hydrogen 2.978 N/A THR 67.A OG1 MET 64.A O no hydrogen 2.699 N/A THR 68.A N ASP 71.A OD2 no hydrogen 2.927 N/A PHE 69.A N GLN 168.A OE1 no hydrogen 3.111 N/A ASP 71.A N THR 68.A O no hydrogen 3.047 N/A TRP 72.A NE1 THR 67.A OG1 no hydrogen 2.913 N/A VAL 73.A N PHE 69.A O no hydrogen 2.912 N/A ALA 74.A N HIS 70.A O no hydrogen 2.892 N/A SER 75.A N ASP 71.A O no hydrogen 3.064 N/A SER 75.A OG ASP 71.A O no hydrogen 3.206 N/A VAL 76.A N TRP 72.A O no hydrogen 3.235 N/A GLU 77.A N VAL 73.A O no hydrogen 2.858 N/A GLU 78.A N ALA 74.A O no hydrogen 2.855 N/A GLY 79.A N SER 75.A O no hydrogen 3.341 N/A TYR 80.A N VAL 76.A O no hydrogen 2.937 N/A TYR 80.A OH ASP 111.A OD1 no hydrogen 2.611 N/A TYR 80.A OH ASP 111.A OD2 no hydrogen 2.929 N/A GLY 81.A N GLU 77.A O no hydrogen 2.908 N/A TRP 82.A N GLU 78.A O no hydrogen 2.975 N/A LEU 83.A N GLY 79.A O no hydrogen 3.086 N/A LYS 84.A N TYR 80.A O no hydrogen 2.885 N/A LYS 84.A NZ ASP 111.A OD2 no hydrogen 2.634 N/A GLN 85.A N GLY 81.A O no hydrogen 3.250 N/A ARG 86.A N LEU 83.A O no hydrogen 2.932 N/A ARG 86.A NE GLU 16.A OE2 no hydrogen 2.574 N/A ARG 86.A NH1 TRP 82.A O no hydrogen 2.893 N/A ARG 86.A NH1 GLN 85.A OE1 no hydrogen 3.043 N/A ARG 86.A NH2 GLU 16.A OE2 no hydrogen 3.441 N/A CYS 87.A N LEU 83.A O no hydrogen 2.744 N/A GLN 88.A N PRO 19.A O no hydrogen 2.871 N/A THR 89.A N PRO 19.A O no hydrogen 3.376 N/A PHE 91.A N GLY 21.A O no hydrogen 2.817 N/A VAL 92.A N GLY 114.A O no hydrogen 3.119 N/A THR 93.A N LEU 23.A O no hydrogen 2.825 N/A THR 93.A OG1 VAL 116.A O no hydrogen 2.699 N/A GLY 94.A N VAL 116.A O no hydrogen 3.315 N/A LEU 95.A N VAL 25.A O no hydrogen 3.117 N/A SER 96.A N ILE 118.A O no hydrogen 2.897 N/A SER 96.A OG HIS 225.A NE2 no hydrogen 2.731 N/A GLY 98.A N LEU 95.A O no hydrogen 2.712 N/A THR 100.A N SER 96.A O no hydrogen 2.932 N/A THR 100.A OG1 SER 96.A O no hydrogen 3.244 N/A THR 100.A OG1 ALA 121.A O no hydrogen 2.592 N/A LEU 101.A N MET 97.A O no hydrogen 2.802 N/A THR 102.A N GLY 98.A O no hydrogen 2.944 N/A THR 102.A OG1 GLY 98.A O no hydrogen 2.867 N/A LEU 103.A N GLY 99.A O no hydrogen 3.017 N/A TYR 104.A N THR 100.A O no hydrogen 2.911 N/A LEU 105.A N LEU 101.A O no hydrogen 2.910 N/A ALA 106.A N THR 102.A O no hydrogen 3.139 N/A GLU 107.A N LEU 103.A O no hydrogen 3.010 N/A GLU 107.A N TYR 104.A O no hydrogen 3.115 N/A HIS 108.A N LEU 105.A O no hydrogen 3.114 N/A HIS 108.A ND1 TYR 104.A O no hydrogen 2.665 N/A HIS 109.A NE2 GLU 77.A OE2 no hydrogen 2.755 N/A CYS 113.A N ILE 90.A O no hydrogen 2.874 N/A CYS 113.A SG.A HIS 247.A O no hydrogen 3.289 N/A ILE 115.A N PRO 186.A O no hydrogen 2.990 N/A VAL 116.A N VAL 92.A O no hydrogen 2.807 N/A ILE 118.A N GLY 94.A O no hydrogen 2.795 N/A ASN 119.A N PHE 190.A O no hydrogen 2.925 N/A ASN 119.A ND2 SER 192.A OG no hydrogen 3.018 N/A ASN 119.A ND2 HIS 225.A O no hydrogen 2.846 N/A ALA 121.A N THR 100.A OG1 no hydrogen 3.316 N/A VAL 122.A N ASN 202.A OD1.A no hydrogen 2.720 N/A VAL 122.A N ASN 202.A OD1.B no hydrogen 2.803 N/A ASP 123.A N ASN 202.A OD1.A no hydrogen 2.794 N/A ASP 123.A N ASN 202.A OD1.B no hydrogen 2.795 N/A ILE 127.A N ILE 124.A O no hydrogen 2.981 N/A ALA 129.A N PRO 125.A O no hydrogen 3.077 N/A GLY 130.A N ALA 126.A O no hydrogen 2.979 N/A MET 131.A N ILE 127.A O no hydrogen 3.008 N/A THR 132.A N ALA 129.A O no hydrogen 3.362 N/A THR 132.A OG1 ALA 128.A O no hydrogen 2.644 N/A ARG 139.A NE GLU 65.A OE1 no hydrogen 3.503 N/A ARG 139.A NE GLU 65.A OE2 no hydrogen 2.751 N/A ARG 139.A NH2 GLU 65.A OE1 no hydrogen 3.187 N/A ARG 139.A NH2 GLU 65.A OE2 no hydrogen 3.517 N/A TYR 140.A OH GLU 65.A OE1 no hydrogen 2.583 N/A LEU 141.A N THR 161.A O no hydrogen 2.800 N/A SER 143.A N GLU 159.A O no hydrogen 2.843 N/A GLY 145.A N SER 143.A OG no hydrogen 3.398 N/A SER 146.A OG GLU 155.A OE2.A no hydrogen 2.664 N/A LYS 149.A N ASP 230.A OD2 no hydrogen 2.805 N/A LYS 149.A NZ ASN 222.A OD1 no hydrogen 3.467 N/A ASN 150.A N ASP 230.A OD1 no hydrogen 2.956 N/A ASP 152.A N ASN 150.A OD1 no hydrogen 3.054 N/A TYR 158.A N THR 29.A O no hydrogen 3.043 N/A TYR 158.A OH GLY 56.A O no hydrogen 2.648 N/A LYS 160.A NZ ASP 142.A OD1.A no hydrogen 3.331 N/A THR 161.A N LEU 141.A O no hydrogen 2.751 N/A THR 163.A N ARG 139.A O no hydrogen 2.979 N/A THR 163.A OG1.A PRO 138.A O no hydrogen 2.815 N/A THR 163.A OG1.A ARG 139.A O no hydrogen 3.425 N/A THR 163.A OG1.B PRO 138.A O no hydrogen 3.263 N/A THR 163.A OG1.B ARG 139.A O no hydrogen 3.185 N/A SER 165.A N PRO 162.A O no hydrogen 2.990 N/A SER 165.A OG MET 64.A O no hydrogen 3.416 N/A LEU 166.A N THR 163.A O no hydrogen 3.037 N/A LEU 169.A N SER 165.A O no hydrogen 3.007 N/A ALA 170.A N LEU 166.A O no hydrogen 2.892 N/A ARG 171.A N LEU 167.A O no hydrogen 2.945 N/A LEU 172.A N GLN 168.A O no hydrogen 3.005 N/A MET 173.A N LEU 169.A O no hydrogen 2.891 N/A ALA 174.A N ALA 170.A O no hydrogen 2.993 N/A GLN 175.A N ARG 171.A O no hydrogen 3.003 N/A THR 176.A N LEU 172.A O no hydrogen 2.892 N/A THR 176.A OG1 LEU 172.A O no hydrogen 2.776 N/A LYS 177.A N MET 173.A O no hydrogen 2.830 N/A LYS 177.A NZ.A ASP 123.A OD1 no hydrogen 2.710 N/A LYS 177.A NZ.B ASP 123.A OD1 no hydrogen 2.711 N/A ALA 178.A N ALA 174.A O no hydrogen 3.096 N/A LYS 179.A N THR 176.A O no hydrogen 3.247 N/A LYS 179.A NZ HIS 108.A NE2 no hydrogen 3.118 N/A LEU 180.A N LYS 177.A O no hydrogen 3.459 N/A ARG 182.A N LYS 179.A O no hydrogen 3.025 N/A ILE 183.A N LEU 180.A O no hydrogen 3.058 N/A CYS 185.A SG PRO 186.A O no hydrogen 3.808 N/A ALA 187.A N GLU 214.A O no hydrogen 2.966 N/A LEU 188.A N ILE 115.A O no hydrogen 2.930 N/A ILE 189.A N GLU 216.A O no hydrogen 2.842 N/A PHE 190.A N PRO 117.A O no hydrogen 3.027 N/A VAL 191.A N VAL 218.A O no hydrogen 3.048 N/A SER 192.A N ASN 119.A OD1 no hydrogen 2.844 N/A SER 192.A OG TYR 224.A O no hydrogen 2.684 N/A ASP 193.A N LEU 220.A O no hydrogen 2.986 N/A ASN 195.A ND2 HIS 225.A ND1 no hydrogen 3.083 N/A HIS 196.A N ASP 147.A OD2 no hydrogen 2.967 N/A HIS 196.A ND1 ASP 147.A OD1 no hydrogen 2.656 N/A VAL 197.A N ASN 195.A OD1 no hydrogen 2.902 N/A VAL 198.A N.A ASN 195.A OD1 no hydrogen 2.922 N/A VAL 198.A N.B ASN 195.A OD1 no hydrogen 2.946 N/A ASN 202.A N.A PRO 199.A O.A no hydrogen 2.966 N/A ASN 202.A N.A PRO 199.A O.B no hydrogen 3.319 N/A ASN 202.A N.B PRO 199.A O.A no hydrogen 2.951 N/A ASN 202.A N.B PRO 199.A O.B no hydrogen 3.314 N/A ASN 202.A ND2.A ASP 123.A O no hydrogen 2.973 N/A ASN 202.A ND2.A PRO 199.A O.A no hydrogen 3.241 N/A ASN 202.A ND2.A PRO 199.A O.B no hydrogen 3.587 N/A ASN 202.A ND2.B ASP 123.A O no hydrogen 3.074 N/A ASN 202.A ND2.B PRO 199.A O.A no hydrogen 3.135 N/A ASN 202.A ND2.B PRO 199.A O.B no hydrogen 3.482 N/A ALA 203.A N PRO 200.A O.A no hydrogen 2.987 N/A ILE 205.A N GLY 201.A O.A no hydrogen 3.366 N/A ILE 205.A N GLY 201.A O.B no hydrogen 3.403 N/A ILE 206.A N ASN 202.A O.A no hydrogen 3.007 N/A ILE 206.A N ASN 202.A O.B no hydrogen 3.009 N/A PHE 207.A N ALA 203.A O no hydrogen 2.884 N/A GLN 208.A N ASP 204.A O no hydrogen 2.876 N/A GLY 209.A N ILE 205.A O no hydrogen 2.945 N/A ILE 210.A N ILE 206.A O no hydrogen 3.128 N/A SER 211.A N ILE 183.A O no hydrogen 2.807 N/A SER 211.A OG ASP 181.A O no hydrogen 2.569 N/A SER 212.A OG CYS 185.A O no hydrogen 2.583 N/A LYS 215.A NZ PHE 207.A O no hydrogen 2.769 N/A GLU 216.A N ALA 187.A O no hydrogen 2.962 N/A VAL 218.A N ILE 189.A O no hydrogen 2.884 N/A ARG 219.A NE ASP 193.A OD1 no hydrogen 2.862 N/A ARG 219.A NE ASP 193.A OD2 no hydrogen 3.322 N/A ARG 219.A NH2 ASP 193.A OD2 no hydrogen 2.827 N/A LEU 220.A N VAL 191.A O no hydrogen 2.738 N/A ASN 222.A N ASP 232.A OD2 no hydrogen 2.898 N/A SER 223.A OG ASP 232.A OD2 no hydrogen 2.719 N/A TYR 224.A N ASP 230.A OD2 no hydrogen 2.866 N/A HIS 225.A N ASP 147.A OD2 no hydrogen 3.127 N/A HIS 225.A NE2 SER 96.A OG no hydrogen 2.731 N/A VAL 226.A N ASP 147.A O no hydrogen 3.107 N/A ALA 227.A N HIS 225.A O no hydrogen 2.811 N/A THR 228.A OG1 SER 34.A O no hydrogen 2.712 N/A LEU 229.A N VAL 226.A O no hydrogen 3.276 N/A ASP 230.A N ALA 227.A O no hydrogen 3.048 N/A TYR 231.A N ASP 230.A OD1 no hydrogen 3.006 N/A ASP 232.A N SER 223.A OG no hydrogen 3.139 N/A GLN 233.A N ASP 230.A O no hydrogen 3.120 N/A GLN 233.A NE2 THR 228.A O no hydrogen 2.802 N/A ILE 236.A N ASP 232.A O no hydrogen 3.056 N/A ILE 237.A N GLN 233.A O no hydrogen 3.030 N/A GLU 238.A N PRO 234.A O no hydrogen 2.925 N/A ARG 239.A N MET 235.A O no hydrogen 2.815 N/A ARG 239.A NH1 GLU 242.A OE1 no hydrogen 3.099 N/A SER 240.A N ILE 236.A O no hydrogen 3.022 N/A SER 240.A OG TYR 42.A OH no hydrogen 3.337 N/A SER 240.A OG ILE 236.A O no hydrogen 2.669 N/A LEU 241.A N ILE 237.A O no hydrogen 2.995 N/A GLU 242.A N GLU 238.A O no hydrogen 3.040 N/A PHE 243.A N ARG 239.A O no hydrogen 2.957 N/A PHE 244.A N SER 240.A O no hydrogen 2.866 N/A ALA 245.A N LEU 241.A O no hydrogen 3.073 N/A LYS 246.A N GLU 242.A O no hydrogen 2.996 N/A HIS 247.A N PHE 243.A O no hydrogen 3.277 N/A ALA 248.A N PHE 244.A O no hydrogen 2.975 N/A