Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3chg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 LYS 2.A O no hydrogen 2.735 N/A ILE 4.A N THR 30.A O no hydrogen 2.809 N/A ILE 5.A N ILE 54.A O no hydrogen 3.195 N/A SER 11.A N ASP 8.A O no hydrogen 3.415 N/A SER 11.A OG ASP 8.A O no hydrogen 3.039 N/A MET 14.A N SER 11.A OG no hydrogen 3.389 N/A LEU 16.A N GLY 12.A O no hydrogen 2.747 N/A THR 17.A N MET 14.A O no hydrogen 2.916 N/A THR 17.A OG1 ILE 13.A O no hydrogen 2.842 N/A THR 17.A OG1 TYR 79.A OH no hydrogen 2.711 N/A ASP 18.A N SER 15.A O no hydrogen 3.245 N/A LYS 22.A N ASP 18.A O no hydrogen 2.950 N/A ASP 23.A N LYS 19.A O no hydrogen 2.686 N/A TYR 24.A N ALA 20.A O no hydrogen 2.793 N/A TYR 24.A OH ASP 74.A OD2 no hydrogen 2.807 N/A TRP 29.A N LEU 26.A O no hydrogen 3.269 N/A ILE 32.A N ILE 4.A O no hydrogen 3.053 N/A SER 35.A N SER 33.A O no hydrogen 3.028 N/A MET 39.A N SER 35.A O no hydrogen 3.039 N/A THR 40.A N SER 36.A O no hydrogen 3.411 N/A THR 40.A OG1 SER 36.A O no hydrogen 3.543 N/A THR 40.A OG1 ALA 37.A O no hydrogen 3.095 N/A THR 42.A N ALA 38.A O no hydrogen 2.759 N/A THR 42.A OG1 ALA 38.A O no hydrogen 2.634 N/A LEU 43.A N MET 39.A O no hydrogen 2.985 N/A LYS 44.A N THR 40.A O no hydrogen 2.789 N/A LYS 45.A N ALA 41.A O no hydrogen 3.226 N/A SER 46.A N THR 42.A O no hydrogen 3.376 N/A TYR 47.A N LEU 43.A O no hydrogen 3.184 N/A ASP 48.A N LYS 44.A O no hydrogen 2.999 N/A ARG 49.A N LYS 45.A O no hydrogen 3.276 N/A ARG 49.A NE LYS 45.A O no hydrogen 2.954 N/A LYS 50.A N TYR 47.A O no hydrogen 2.848 N/A LYS 51.A N SER 46.A O no hydrogen 2.662 N/A ILE 55.A N VAL 242.A O no hydrogen 3.043 N/A GLY 57.A N GLY 240.A O no hydrogen 2.824 N/A THR 59.A N LYS 238.A O no hydrogen 2.930 N/A THR 59.A OG1 TYR 71.A OH no hydrogen 2.856 N/A THR 59.A OG1 LYS 238.A O no hydrogen 3.036 N/A MET 63.A N HIS 61.A ND1 no hydrogen 3.322 N/A PHE 64.A N HIS 61.A O no hydrogen 3.204 N/A SER 65.A N TRP 62.A O no hydrogen 3.237 N/A SER 65.A OG TRP 62.A O no hydrogen 2.683 N/A ARG 66.A N TRP 62.A O no hydrogen 3.281 N/A ARG 66.A N MET 63.A O no hydrogen 3.162 N/A TYR 67.A N MET 63.A O no hydrogen 2.885 N/A LYS 68.A N TYR 47.A OH no hydrogen 3.167 N/A LYS 70.A N VAL 243.A O no hydrogen 3.002 N/A LYS 70.A NZ PRO 244.A O no hydrogen 3.441 N/A LYS 70.A NZ MET 247.A O no hydrogen 2.982 N/A LYS 70.A NZ VAL 250.A O no hydrogen 2.789 N/A TYR 71.A OH GLY 57.A O no hydrogen 3.414 N/A TYR 71.A OH THR 59.A OG1 no hydrogen 2.856 N/A ASP 73.A N ASN 251.A O no hydrogen 2.663 N/A LYS 76.A N TYR 24.A OH no hydrogen 2.625 N/A GLN 77.A N ASP 74.A O no hydrogen 2.651 N/A SER 78.A OG ASP 23.A OD2 no hydrogen 2.744 N/A TYR 79.A N ASP 74.A OD1 no hydrogen 2.658 N/A TYR 79.A OH THR 17.A OG1 no hydrogen 2.711 N/A GLY 80.A N GLN 77.A O no hydrogen 2.919 N/A GLU 84.A N LEU 212.A O no hydrogen 2.889 N/A ILE 85.A N MET 234.A O no hydrogen 2.972 N/A HIS 86.A N ALA 210.A O no hydrogen 2.643 N/A HIS 86.A ND1 ASP 229.A OD1 no hydrogen 2.926 N/A HIS 86.A ND1 ASP 229.A OD2 no hydrogen 2.806 N/A HIS 86.A NE2 GLU 84.A OE2 no hydrogen 2.924 N/A THR 87.A N GLY 231.A O no hydrogen 2.634 N/A ILE 88.A N SER 207.A O no hydrogen 2.760 N/A THR 89.A N ASP 228.A O no hydrogen 2.828 N/A THR 89.A OG1 ASP 228.A O no hydrogen 3.116 N/A ARG 90.A N ASP 205.A O no hydrogen 2.980 N/A ARG 90.A NH1 LYS 91.A O no hydrogen 3.536 N/A ARG 90.A NH1 GLU 96.A OE2 no hydrogen 2.767 N/A ARG 90.A NH2 GLU 96.A OE2 no hydrogen 3.088 N/A LYS 91.A NZ ASP 228.A OD2 no hydrogen 3.372 N/A PHE 93.A N ARG 90.A O no hydrogen 3.280 N/A LYS 95.A N GLY 92.A O no hydrogen 3.092 N/A GLU 96.A N PHE 93.A O no hydrogen 3.326 N/A GLN 97.A N PHE 93.A O no hydrogen 3.208 N/A GLN 97.A NE2 LYS 156.A O no hydrogen 2.989 N/A ALA 101.A N GLN 97.A O no hydrogen 3.016 N/A LYS 102.A N PRO 98.A O no hydrogen 3.252 N/A LYS 102.A NZ GLY 148.A O no hydrogen 2.744 N/A LEU 103.A N ASN 99.A O no hydrogen 2.991 N/A LEU 104.A N ALA 100.A O no hydrogen 3.137 N/A SER 105.A N ALA 101.A O no hydrogen 2.541 N/A SER 105.A OG ALA 101.A O no hydrogen 3.280 N/A SER 105.A OG LYS 102.A O no hydrogen 3.252 N/A GLN 106.A N LEU 103.A O no hydrogen 3.254 N/A GLN 106.A NE2 LYS 102.A O no hydrogen 2.650 N/A GLN 106.A NE2 LYS 147.A O no hydrogen 3.602 N/A PHE 107.A N LEU 104.A O no hydrogen 2.709 N/A TRP 109.A N SER 233.A O no hydrogen 3.014 N/A THR 110.A N GLU 113.A OE1 no hydrogen 3.447 N/A THR 110.A OG1 ASP 112.A OD1 no hydrogen 2.710 N/A THR 110.A OG1 ASP 112.A OD2 no hydrogen 3.501 N/A THR 110.A OG1 GLU 113.A OE1 no hydrogen 3.152 N/A GLU 113.A N THR 110.A O no hydrogen 3.401 N/A GLY 115.A N GLN 111.A O no hydrogen 2.928 N/A MET 118.A N MET 114.A O no hydrogen 2.850 N/A ILE 119.A N GLY 115.A O no hydrogen 2.805 N/A LYS 120.A N GLU 116.A O no hydrogen 3.336 N/A LYS 120.A NZ GLU 133.A OE1 no hydrogen 3.349 N/A VAL 121.A N ILE 117.A O no hydrogen 2.760 N/A GLU 122.A N MET 118.A O no hydrogen 2.767 N/A GLU 123.A N ILE 119.A O no hydrogen 2.683 N/A GLY 124.A N VAL 121.A O no hydrogen 3.073 N/A GLU 125.A N LYS 120.A O no hydrogen 3.229 N/A LYS 126.A NZ GLY 124.A O no hydrogen 3.498 N/A VAL 130.A N PRO 127.A O no hydrogen 3.467 N/A ALA 131.A N PRO 127.A O no hydrogen 3.195 N/A TYR 134.A N VAL 130.A O no hydrogen 3.329 N/A TYR 134.A OH GLN 141.A OE1 no hydrogen 2.708 N/A ASN 136.A N ALA 132.A O no hydrogen 3.071 N/A ASN 136.A N GLU 133.A O no hydrogen 2.964 N/A LYS 137.A N GLU 133.A O no hydrogen 2.693 N/A HIS 138.A N TYR 134.A O no hydrogen 2.801 N/A HIS 138.A NE2 GLU 116.A OE2 no hydrogen 2.932 N/A GLN 141.A NE2 GLU 113.A OE1 no hydrogen 3.007 N/A ALA 143.A N LYS 139.A O no hydrogen 3.073 N/A GLU 144.A N ASP 140.A O no hydrogen 3.056 N/A TRP 145.A N GLN 141.A O no hydrogen 2.650 N/A TRP 145.A NE1 LYS 108.A O no hydrogen 2.717 N/A THR 146.A N ILE 142.A O no hydrogen 3.155 N/A THR 146.A OG1 ILE 142.A O no hydrogen 2.665 N/A LYS 147.A N GLU 144.A O no hydrogen 3.299 N/A VAL 152.A N LEU 181.A O no hydrogen 2.734 N/A LYS 156.A NZ GLU 184.A OE1 no hydrogen 2.715 N/A LEU 159.A N THR 186.A O no hydrogen 3.174 N/A ALA 160.A N ALA 206.A O no hydrogen 2.905 N/A TYR 161.A N THR 188.A O no hydrogen 3.207 N/A VAL 162.A N SER 209.A OG no hydrogen 2.967 N/A TRP 164.A N VAL 162.A O no hydrogen 2.554 N/A TRP 164.A NE1 ASP 8.A OD1 no hydrogen 2.744 N/A SER 166.A OG GLU 167.A OE1 no hydrogen 3.201 N/A SER 166.A OG GLU 167.A OE2 no hydrogen 2.768 N/A GLU 167.A N TRP 164.A O no hydrogen 2.904 N/A ILE 168.A N TRP 164.A O no hydrogen 2.497 N/A ILE 168.A N ASP 165.A O no hydrogen 2.810 N/A ALA 169.A N ASP 165.A O no hydrogen 2.529 N/A SER 170.A N SER 166.A O no hydrogen 3.266 N/A SER 170.A OG SER 166.A O no hydrogen 3.263 N/A THR 171.A OG1 GLU 167.A O no hydrogen 2.884 N/A VAL 173.A N ALA 169.A O no hydrogen 3.230 N/A VAL 173.A N SER 170.A O no hydrogen 3.257 N/A ILE 174.A N SER 170.A O no hydrogen 3.041 N/A GLY 175.A N THR 171.A O no hydrogen 2.558 N/A LYS 176.A N ASN 172.A O no hydrogen 3.212 N/A LYS 176.A N VAL 173.A O no hydrogen 3.159 N/A LYS 176.A NZ ASP 180.A OD1 no hydrogen 2.602 N/A VAL 177.A N ILE 174.A O no hydrogen 3.000 N/A LEU 178.A N ILE 174.A O no hydrogen 3.061 N/A LEU 181.A N LEU 178.A O no hydrogen 3.056 N/A TYR 183.A OH ASN 99.A OD1 no hydrogen 2.517 N/A GLU 184.A N ASP 155.A O no hydrogen 3.214 N/A THR 186.A OG1 ASN 158.A OD1 no hydrogen 3.260 N/A THR 188.A N LEU 159.A O no hydrogen 2.891 N/A THR 188.A OG1 ASN 158.A OD1 no hydrogen 2.602 N/A VAL 190.A N TYR 161.A O no hydrogen 3.180 N/A MET 195.A N GLU 191.A O no hydrogen 2.695 N/A THR 197.A N GLY 193.A O no hydrogen 2.682 N/A THR 197.A OG1 GLY 193.A O no hydrogen 3.162 N/A THR 197.A OG1 TYR 223.A OH no hydrogen 2.799 N/A ALA 198.A N PRO 194.A O no hydrogen 2.861 N/A ALA 200.A N TRP 196.A O no hydrogen 3.176 N/A THR 201.A N THR 197.A O no hydrogen 2.997 N/A THR 201.A OG1 THR 197.A O no hydrogen 3.281 N/A THR 201.A OG1 ALA 198.A O no hydrogen 3.279 N/A GLY 202.A N ILE 199.A O no hydrogen 2.866 N/A SER 203.A N ALA 198.A O no hydrogen 2.684 N/A SER 203.A OG ALA 198.A O no hydrogen 2.780 N/A ALA 204.A N ALA 198.A O no hydrogen 3.305 N/A ASP 205.A N ASN 158.A O no hydrogen 3.136 N/A ALA 206.A N ASN 158.A O no hydrogen 3.271 N/A SER 207.A N ILE 88.A O no hydrogen 2.772 N/A SER 207.A OG ALA 160.A O no hydrogen 2.611 N/A SER 209.A N SER 207.A OG no hydrogen 3.245 N/A TRP 211.A N HIS 216.A ND1 no hydrogen 2.963 N/A TRP 211.A NE1 GLU 167.A OE1 no hydrogen 2.788 N/A LEU 212.A N GLU 84.A O no hydrogen 2.946 N/A THR 215.A N GLU 83.A OE2 no hydrogen 2.908 N/A LYS 217.A N ASN 214.A O no hydrogen 3.066 N/A TYR 219.A OH GLY 10.A O no hydrogen 2.944 N/A ALA 220.A N HIS 216.A O no hydrogen 2.809 N/A ALA 221.A N LYS 217.A O no hydrogen 3.133 N/A LYS 222.A N ALA 218.A O no hydrogen 3.112 N/A TYR 223.A OH THR 197.A OG1 no hydrogen 2.799 N/A ASP 228.A N THR 89.A O no hydrogen 2.671 N/A ILE 230.A N THR 87.A O no hydrogen 3.073 N/A GLY 231.A N THR 87.A O no hydrogen 3.525 N/A SER 233.A N ILE 85.A O no hydrogen 3.255 N/A VAL 237.A N GLU 83.A O no hydrogen 2.932 N/A GLY 240.A N GLY 57.A O no hydrogen 2.887 N/A VAL 242.A N ILE 55.A O no hydrogen 2.982 N/A VAL 243.A N LYS 70.A O no hydrogen 2.944 N/A GLN 245.A N LYS 68.A O no hydrogen 2.890 N/A TYR 246.A OH LYS 51.A O no hydrogen 2.804 N/A VAL 250.A N MET 247.A O no hydrogen 3.007 N/A ASN 251.A N ASP 255.A OD1 no hydrogen 2.962 N/A SER 252.A N ASP 255.A OD1 no hydrogen 2.920 N/A SER 252.A OG GLU 254.A OE2 no hydrogen 2.650 N/A ILE 253.A N ASP 73.A O no hydrogen 3.109 N/A LEU 256.A N ILE 253.A O no hydrogen 3.055 N/A LYS 257.A N GLU 254.A O no hydrogen 2.802 N/A LYS 257.A NZ ASP 28.A OD1 no hydrogen 2.645 N/A LYS 258.A NZ ASP 255.A OD2 no hydrogen 2.763 N/A