Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kxp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N GLU 18.A O no hydrogen 3.118 N/A ARG 5.A N VAL 16.A O no hydrogen 3.116 N/A ARG 5.A NE GLU 18.A OE2 no hydrogen 2.622 N/A ARG 6.A NE LEU 59.A O no hydrogen 2.964 N/A ARG 6.A NH2 ASP 61.A OD1 no hydrogen 2.335 N/A VAL 7.A N LEU 14.A O no hydrogen 2.553 N/A ILE 9.A N ILE 12.A O no hydrogen 2.974 N/A GLY 10.A N ASP 8.A OD2 no hydrogen 2.860 N/A ARG 11.A NE ASP 75.A OD2 no hydrogen 2.881 N/A ARG 11.A NH2 ASP 71.A O no hydrogen 3.244 N/A ARG 11.A NH2 ASP 75.A OD2 no hydrogen 3.410 N/A THR 13.A N ASP 61.A OD2 no hydrogen 3.077 N/A LEU 14.A N VAL 7.A O no hydrogen 2.862 N/A ASN 15.A N SER 60.A OG no hydrogen 2.773 N/A ASN 15.A ND2 ASP 53.A OD1 no hydrogen 2.966 N/A VAL 16.A N ARG 5.A O no hydrogen 2.958 N/A ARG 17.A N ALA 51.A O no hydrogen 3.005 N/A ARG 17.A NE SER 34.A OG no hydrogen 2.807 N/A ARG 17.A NH1 GLU 38.A OE2 no hydrogen 2.993 N/A GLU 18.A N ILE 3.A O no hydrogen 2.956 N/A LYS 19.A N THR 49.A O no hydrogen 3.183 N/A SER 21.A N SER 44.A O no hydrogen 3.441 N/A PHE 26.A N ILE 50.A O no hydrogen 2.884 N/A PHE 27.A N VAL 91.A O no hydrogen 2.954 N/A HIS 28.A ND1 GLY 29.A O no hydrogen 2.619 N/A THR 31.A N HIS 57.A NE2 no hydrogen 3.300 N/A THR 31.A OG1 ILE 30.A O no hydrogen 2.518 N/A SER 32.A N GLY 29.A O no hydrogen 3.173 N/A ASN 33.A ND2 SER 170.A OG no hydrogen 2.885 N/A SER 34.A N ASP 53.A OD2 no hydrogen 2.695 N/A SER 34.A OG ASP 53.A OD2 no hydrogen 2.546 N/A ALA 35.A N ASN 33.A OD1 no hydrogen 3.040 N/A VAL 36.A N ASN 33.A O no hydrogen 3.349 N/A PHE 37.A N SER 34.A O no hydrogen 3.212 N/A GLU 38.A N ALA 35.A O no hydrogen 3.062 N/A ARG 42.A NH2 GLU 253.A OE2 no hydrogen 2.910 N/A SER 44.A OG THR 49.A OG1 no hydrogen 3.358 N/A ARG 46.A N LEU 43.A O no hydrogen 3.266 N/A ARG 46.A NH2 ASP 264.A OD2 no hydrogen 2.933 N/A PHE 47.A N LEU 43.A O no hydrogen 2.922 N/A THR 48.A N PRO 23.A O no hydrogen 2.885 N/A THR 48.A OG1 GLY 22.A O no hydrogen 2.821 N/A THR 49.A N LYS 19.A O no hydrogen 2.989 N/A THR 49.A OG1 LYS 19.A O no hydrogen 3.212 N/A THR 49.A OG1 SER 44.A OG no hydrogen 3.358 N/A ALA 51.A N ARG 17.A O no hydrogen 3.023 N/A VAL 52.A N PHE 26.A O no hydrogen 2.947 N/A ASP 53.A N ASN 15.A O no hydrogen 2.908 N/A GLN 54.A N HIS 28.A NE2 no hydrogen 3.077 N/A GLN 54.A NE2 HIS 28.A O no hydrogen 2.976 N/A ARG 55.A NE ASP 75.A OD1 no hydrogen 2.639 N/A ARG 55.A NH1 ASP 75.A OD1 no hydrogen 3.186 N/A ARG 55.A NH1 ASP 75.A OD2 no hydrogen 2.844 N/A ARG 55.A NH2 GLY 66.A O no hydrogen 2.819 N/A GLY 56.A N ASP 61.A O no hydrogen 3.056 N/A HIS 57.A N GLN 54.A O no hydrogen 2.841 N/A HIS 57.A ND1 ARG 55.A O no hydrogen 2.771 N/A LEU 59.A N ASP 53.A OD1 no hydrogen 3.081 N/A SER 60.A N HIS 57.A O no hydrogen 3.060 N/A SER 60.A OG ASP 53.A O no hydrogen 2.677 N/A ASP 61.A N THR 13.A O no hydrogen 3.100 N/A LYS 62.A NZ GLY 58.A O no hydrogen 2.919 N/A LYS 62.A NZ SER 60.A O no hydrogen 2.785 N/A THR 65.A OG1 GLN 189.A OE1 no hydrogen 2.925 N/A TYR 67.A OH PRO 63.A O no hydrogen 2.668 N/A GLU 68.A N ASP 71.A OD2 no hydrogen 2.752 N/A TYR 72.A N GLU 68.A O no hydrogen 3.218 N/A TYR 72.A OH THR 190.A OG1 no hydrogen 2.686 N/A ALA 73.A N ALA 69.A O no hydrogen 2.775 N/A ASP 74.A N ASN 70.A O no hydrogen 2.743 N/A ASP 75.A N ASP 71.A O no hydrogen 3.155 N/A ILE 76.A N TYR 72.A O no hydrogen 3.267 N/A ALA 77.A N ALA 73.A O no hydrogen 3.231 N/A GLY 78.A N ASP 74.A O no hydrogen 2.918 N/A LEU 79.A N ASP 75.A O no hydrogen 2.983 N/A ILE 80.A N ILE 76.A O no hydrogen 2.903 N/A ARG 81.A N ALA 77.A O no hydrogen 2.896 N/A THR 82.A N GLY 78.A O no hydrogen 2.844 N/A THR 82.A OG1 GLY 78.A O no hydrogen 2.854 N/A LEU 83.A N LEU 79.A O no hydrogen 2.897 N/A ALA 84.A N ILE 80.A O no hydrogen 3.041 N/A ALA 84.A N ARG 81.A O no hydrogen 3.049 N/A ARG 85.A NH2 GLU 18.A OE1 no hydrogen 2.911 N/A ALA 88.A N LEU 110.A O no hydrogen 2.862 N/A ILE 89.A N LEU 24.A O no hydrogen 2.994 N/A LEU 90.A N SER 113.A O no hydrogen 2.766 N/A VAL 91.A N LEU 25.A O no hydrogen 2.844 N/A GLY 92.A N VAL 115.A O no hydrogen 3.041 N/A HIS 93.A N PHE 27.A O no hydrogen 2.888 N/A HIS 93.A NE2 HIS 245.A O no hydrogen 2.982 N/A SER 94.A N ILE 117.A O no hydrogen 2.854 N/A GLY 96.A N HIS 93.A O no hydrogen 2.950 N/A ARG 98.A N SER 94.A O no hydrogen 2.765 N/A ARG 98.A NH1 ASN 99.A OD1 no hydrogen 2.741 N/A ARG 98.A NH2 GLY 193.A O no hydrogen 2.855 N/A ASN 99.A N LEU 95.A O no hydrogen 2.892 N/A ASN 99.A ND2 GLN 54.A OE1 no hydrogen 2.862 N/A SER 100.A N GLY 96.A O no hydrogen 2.784 N/A SER 100.A OG GLY 96.A O no hydrogen 3.132 N/A VAL 101.A N ALA 97.A O no hydrogen 3.063 N/A THR 102.A N ARG 98.A O no hydrogen 3.178 N/A THR 102.A OG1 ARG 98.A O no hydrogen 2.891 N/A ALA 103.A N ASN 99.A O no hydrogen 2.906 N/A ALA 104.A N SER 100.A O no hydrogen 2.851 N/A ALA 105.A N VAL 101.A O no hydrogen 3.098 N/A LYS 106.A N THR 102.A O no hydrogen 3.084 N/A LYS 106.A N ALA 103.A O no hydrogen 3.087 N/A LYS 106.A NZ ASP 74.A OD1 no hydrogen 2.919 N/A LYS 106.A NZ TYR 107.A OH no hydrogen 3.541 N/A TYR 107.A N ALA 103.A O no hydrogen 2.640 N/A TYR 107.A OH ASP 74.A OD1 no hydrogen 2.539 N/A LEU 110.A N TYR 107.A O no hydrogen 2.935 N/A VAL 111.A N PRO 108.A O no hydrogen 3.388 N/A ARG 112.A N ALA 88.A O no hydrogen 2.935 N/A VAL 114.A N PRO 208.A O no hydrogen 2.871 N/A VAL 115.A N LEU 90.A O no hydrogen 2.708 N/A ALA 116.A N LEU 210.A O no hydrogen 2.934 N/A ILE 117.A N GLY 92.A O no hydrogen 2.806 N/A ASP 118.A N VAL 212.A O no hydrogen 2.676 N/A THR 120.A OG1 PRO 121.A O no hydrogen 3.039 N/A THR 120.A OG1 THR 228.A OG1 no hydrogen 3.380 N/A ALA 127.A N GLU 124.A O no hydrogen 3.012 N/A LEU 128.A N GLU 124.A O no hydrogen 3.338 N/A ASP 129.A N THR 125.A O no hydrogen 2.762 N/A ALA 130.A N GLU 126.A O no hydrogen 3.035 N/A LEU 131.A N ALA 127.A O no hydrogen 3.178 N/A GLU 132.A N LEU 128.A O no hydrogen 2.925 N/A ALA 133.A N ASP 129.A O no hydrogen 2.934 N/A ARG 134.A NH2 ARG 155.A O no hydrogen 3.229 N/A ALA 137.A N ARG 134.A O no hydrogen 3.057 N/A SER 139.A N ASN 136.A O no hydrogen 2.957 N/A GLN 140.A NE2 ALA 137.A O no hydrogen 2.913 N/A PHE 142.A N LEU 179.A O no hydrogen 2.778 N/A ALA 147.A N ASP 144.A OD2 no hydrogen 2.985 N/A VAL 148.A N ASP 144.A O no hydrogen 3.231 N/A GLU 149.A N ILE 145.A O no hydrogen 3.004 N/A ALA 150.A N LYS 146.A O no hydrogen 3.022 N/A TYR 151.A N ALA 147.A O no hydrogen 3.047 N/A LEU 152.A N VAL 148.A O no hydrogen 2.863 N/A ALA 153.A N GLU 149.A O no hydrogen 2.694 N/A GLY 154.A N ALA 150.A O no hydrogen 3.098 N/A ARG 155.A N TYR 151.A O no hydrogen 3.002 N/A TYR 156.A N LEU 152.A O no hydrogen 2.757 N/A ASN 158.A ND2 ASP 244.A OD1 no hydrogen 2.903 N/A ILE 159.A N TYR 156.A O no hydrogen 3.070 N/A ILE 164.A N PRO 160.A O no hydrogen 2.941 N/A ARG 165.A N ALA 161.A O no hydrogen 2.816 N/A ARG 165.A NH1 GLU 169.A OE2 no hydrogen 2.949 N/A ILE 166.A N ASP 162.A O no hydrogen 3.041 N/A ARG 167.A N ALA 163.A O no hydrogen 3.067 N/A ARG 167.A NE GLU 249.A OE2 no hydrogen 2.763 N/A ARG 167.A NH2 GLU 249.A OE1 no hydrogen 2.874 N/A ALA 168.A N ILE 164.A O no hydrogen 2.834 N/A GLU 169.A N ARG 165.A O no hydrogen 2.945 N/A SER 170.A N ILE 166.A O no hydrogen 3.092 N/A SER 170.A N ARG 167.A O no hydrogen 3.288 N/A SER 170.A OG ILE 166.A O no hydrogen 2.734 N/A SER 170.A OG ARG 167.A O no hydrogen 3.567 N/A GLY 171.A N ARG 167.A O no hydrogen 2.907 N/A GLN 173.A N ARG 180.A O no hydrogen 2.829 N/A VAL 175.A N GLY 178.A O no hydrogen 2.581 N/A GLY 178.A N VAL 175.A O no hydrogen 3.192 N/A LEU 179.A N PHE 142.A O no hydrogen 2.719 N/A ARG 180.A N GLN 173.A O no hydrogen 3.077 N/A LEU 182.A N GLY 171.A O no hydrogen 2.844 N/A SER 184.A N GLY 56.A O no hydrogen 3.085 N/A ALA 187.A N SER 184.A OG no hydrogen 3.087 N/A GLN 189.A N ALA 186.A O no hydrogen 3.060 N/A GLN 189.A NE2 GLU 64.A O no hydrogen 3.112 N/A GLN 189.A NE2 ALA 186.A O no hydrogen 3.339 N/A THR 190.A N ALA 187.A O no hydrogen 2.823 N/A THR 190.A OG1 TYR 72.A OH no hydrogen 2.686 N/A THR 190.A OG1 ALA 187.A O no hydrogen 2.672 N/A ARG 192.A N ALA 188.A O no hydrogen 3.354 N/A ARG 192.A NE ALA 188.A O no hydrogen 2.591 N/A GLY 193.A N GLN 189.A O no hydrogen 3.084 N/A LEU 194.A N THR 190.A O no hydrogen 3.054 N/A LEU 194.A N ALA 191.A O no hydrogen 3.034 N/A ARG 195.A N ARG 192.A O no hydrogen 3.343 N/A SER 196.A N GLY 193.A O no hydrogen 3.334 N/A SER 196.A OG GLY 193.A O no hydrogen 2.950 N/A VAL 199.A N ASP 197.A OD1 no hydrogen 3.126 N/A TYR 202.A N LEU 198.A O no hydrogen 3.251 N/A TYR 202.A OH PHE 119.A O no hydrogen 2.627 N/A ARG 203.A N VAL 199.A O no hydrogen 2.751 N/A ARG 203.A NE ASP 204.A OD1 no hydrogen 2.708 N/A ARG 203.A NH2 ASP 204.A OD1 no hydrogen 3.471 N/A ARG 203.A NH2 ASP 204.A OD2 no hydrogen 2.879 N/A ASP 204.A N PRO 200.A O no hydrogen 2.811 N/A VAL 205.A N ALA 201.A O no hydrogen 3.181 N/A LYS 207.A NZ PRO 108.A O no hydrogen 3.126 N/A LYS 207.A NZ VAL 111.A O no hydrogen 3.022 N/A LEU 210.A N VAL 114.A O no hydrogen 2.841 N/A ILE 211.A N PRO 236.A O no hydrogen 2.970 N/A VAL 212.A N ALA 116.A O no hydrogen 3.078 N/A ARG 213.A N VAL 238.A O no hydrogen 2.909 N/A ARG 213.A NH1 VAL 220.A O no hydrogen 2.800 N/A ARG 213.A NH2 GLU 215.A O no hydrogen 2.587 N/A GLY 214.A N ASP 118.A OD1 no hydrogen 2.966 N/A GLU 215.A N VAL 240.A O no hydrogen 2.968 N/A SER 216.A N ALA 243.A O no hydrogen 2.871 N/A SER 216.A OG ALA 243.A O no hydrogen 3.209 N/A SER 217.A N GLY 214.A O no hydrogen 3.164 N/A SER 217.A OG ASP 118.A OD2 no hydrogen 2.698 N/A SER 217.A OG VAL 220.A O no hydrogen 3.501 N/A LEU 219.A N SER 217.A OG no hydrogen 3.068 N/A VAL 220.A N SER 217.A OG no hydrogen 2.963 N/A SER 221.A OG GLU 124.A OE1 no hydrogen 3.194 N/A SER 221.A OG GLU 124.A OE2 no hydrogen 3.366 N/A ALA 224.A N SER 221.A OG no hydrogen 2.921 N/A LEU 225.A N SER 221.A O no hydrogen 3.092 N/A ALA 226.A N ALA 222.A O no hydrogen 2.986 N/A LYS 227.A N ALA 223.A O no hydrogen 3.086 N/A THR 228.A N ALA 224.A O no hydrogen 3.022 N/A THR 228.A OG1 ALA 224.A O no hydrogen 2.904 N/A SER 229.A N LEU 225.A O no hydrogen 2.883 N/A SER 229.A OG LEU 225.A O no hydrogen 3.466 N/A ARG 230.A N ALA 226.A O no hydrogen 3.063 N/A LEU 231.A N LYS 227.A O no hydrogen 2.942 N/A ARG 232.A N THR 228.A O no hydrogen 2.863 N/A ARG 232.A NE ASP 234.A OD2 no hydrogen 2.973 N/A ARG 232.A NH1 ASP 234.A OD1 no hydrogen 2.866 N/A ARG 232.A NH1 ASP 234.A OD2 no hydrogen 3.434 N/A ARG 232.A NH2 TYR 202.A O no hydrogen 2.695 N/A ARG 232.A NH2 VAL 205.A O no hydrogen 3.034 N/A LEU 235.A N ARG 232.A O no hydrogen 3.288 N/A VAL 238.A N ILE 211.A O no hydrogen 2.823 N/A VAL 240.A N ARG 213.A O no hydrogen 2.847 N/A GLY 242.A N GLU 215.A OE1 no hydrogen 3.088 N/A ALA 243.A N VAL 240.A O no hydrogen 3.381 N/A HIS 245.A ND1 ASP 118.A OD2 no hydrogen 2.511 N/A TYR 246.A N ASP 244.A OD2 no hydrogen 3.036 N/A VAL 250.A N TYR 246.A O no hydrogen 2.885 N/A SER 251.A N VAL 247.A O no hydrogen 2.764 N/A THR 255.A N SER 251.A O no hydrogen 3.040 N/A THR 255.A OG1 VAL 247.A O no hydrogen 3.411 N/A THR 255.A OG1 SER 251.A O no hydrogen 2.622 N/A LEU 256.A N PRO 252.A O no hydrogen 2.999 N/A LYS 257.A N GLU 253.A O no hydrogen 2.944 N/A LYS 257.A NZ ASN 261.A OD1 no hydrogen 3.560 N/A ALA 258.A N ILE 254.A O no hydrogen 2.946 N/A ILE 259.A N THR 255.A O no hydrogen 3.047 N/A THR 260.A N LEU 256.A O no hydrogen 2.925 N/A THR 260.A OG1 LEU 256.A O no hydrogen 3.342 N/A THR 260.A OG1 LYS 257.A O no hydrogen 3.039 N/A ASN 261.A N LYS 257.A O no hydrogen 2.855 N/A PHE 262.A N ALA 258.A O no hydrogen 3.172 N/A ILE 263.A N ILE 259.A O no hydrogen 3.032 N/A ASP 264.A N THR 260.A O no hydrogen 3.117 N/A