Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ksm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 61.A OD2 no hydrogen 2.690 N/A LEU 3.A N THR 32.A O no hydrogen 2.886 N/A LEU 4.A N ALA 62.A O no hydrogen 2.938 N/A LEU 5.A N LEU 34.A O no hydrogen 2.693 N/A VAL 6.A N ILE 64.A O no hydrogen 2.896 N/A LEU 7.A N SER 37.A OG no hydrogen 2.818 N/A LYS 8.A NZ SER 92.A OG no hydrogen 3.043 N/A LYS 8.A NZ ASN 139.A OD1 no hydrogen 2.705 N/A LYS 8.A NZ SER 141.A OG no hydrogen 3.246 N/A ASP 10.A N LYS 39.A O no hydrogen 2.864 N/A SER 11.A N ASP 41.A OD1 no hydrogen 2.917 N/A SER 11.A OG ASP 41.A OD1 no hydrogen 3.510 N/A ASN 12.A ND2 ASP 41.A OD2 no hydrogen 2.996 N/A ALA 13.A N GLU 195.A OE2 no hydrogen 2.829 N/A TYR 14.A N GLU 195.A OE1 no hydrogen 2.955 N/A TYR 14.A OH ASP 91.A OD1 no hydrogen 2.756 N/A TRP 15.A N ASN 12.A O no hydrogen 3.356 N/A TRP 15.A NE1 ASP 41.A OD2 no hydrogen 2.791 N/A ARG 16.A N ALA 13.A O no hydrogen 2.919 N/A GLN 17.A N TYR 14.A O no hydrogen 3.067 N/A VAL 18.A N TYR 14.A O no hydrogen 3.284 N/A TYR 19.A N TRP 15.A O no hydrogen 2.952 N/A TYR 19.A OH GLN 23.A OE1 no hydrogen 2.688 N/A LEU 20.A N ARG 16.A O no hydrogen 2.847 N/A GLY 21.A N GLN 17.A O no hydrogen 3.082 N/A ALA 22.A N VAL 18.A O no hydrogen 3.000 N/A GLN 23.A N TYR 19.A O no hydrogen 2.811 N/A GLN 23.A NE2 GLN 23.A O no hydrogen 3.619 N/A GLN 23.A NE2 ASP 27.A OD1 no hydrogen 2.827 N/A LYS 24.A N LEU 20.A O no hydrogen 2.950 N/A ALA 25.A N GLY 21.A O no hydrogen 3.054 N/A ALA 26.A N ALA 22.A O no hydrogen 2.872 N/A ASP 27.A N GLN 23.A O no hydrogen 2.878 N/A GLU 28.A N LYS 24.A O no hydrogen 3.008 N/A ALA 29.A N ALA 25.A O no hydrogen 3.023 N/A GLY 30.A N ASP 27.A O no hydrogen 3.329 N/A VAL 31.A N ALA 26.A O no hydrogen 2.988 N/A THR 32.A N PRO 1.A O no hydrogen 3.177 N/A LEU 34.A N LEU 3.A O no hydrogen 2.772 N/A HIS 35.A ND1 LEU 5.A O no hydrogen 3.306 N/A ARG 36.A N LEU 5.A O no hydrogen 2.963 N/A ARG 36.A NE HIS 35.A O no hydrogen 2.970 N/A THR 38.A OG1 ASP 40.A O no hydrogen 2.800 N/A ASP 41.A N SER 11.A OG no hydrogen 2.782 N/A GLY 42.A N ASN 68.A OD1 no hydrogen 2.871 N/A ASP 43.A N ASP 40.A O no hydrogen 3.400 N/A GLY 46.A N ASP 43.A OD1 no hydrogen 2.954 N/A GLN 47.A N ASP 43.A O no hydrogen 3.034 N/A GLN 47.A NE2 LEU 7.A O no hydrogen 3.063 N/A GLN 47.A NE2 ALA 66.A O no hydrogen 2.722 N/A ILE 48.A N ILE 44.A O no hydrogen 3.018 N/A GLN 49.A N ALA 45.A O no hydrogen 3.033 N/A ILE 50.A N GLY 46.A O no hydrogen 3.096 N/A LEU 51.A N GLN 47.A O no hydrogen 3.057 N/A SER 52.A N ILE 48.A O no hydrogen 2.983 N/A SER 52.A OG ILE 48.A O no hydrogen 3.479 N/A SER 52.A OG GLN 49.A O no hydrogen 3.276 N/A TYR 53.A N GLN 49.A O no hydrogen 2.916 N/A HIS 54.A N ILE 50.A O no hydrogen 3.111 N/A HIS 54.A ND1 ILE 50.A O no hydrogen 2.943 N/A LEU 55.A N LEU 51.A O no hydrogen 2.994 N/A SER 56.A N SER 52.A O no hydrogen 3.059 N/A SER 56.A OG SER 52.A O no hydrogen 3.183 N/A SER 56.A OG TYR 53.A O no hydrogen 3.117 N/A GLN 57.A N TYR 53.A O no hydrogen 2.688 N/A GLN 57.A NE2 SER 56.A OG no hydrogen 3.093 N/A ALA 58.A N HIS 54.A O no hydrogen 3.074 N/A ASP 61.A N LYS 2.A O no hydrogen 2.748 N/A LEU 63.A N PRO 86.A O no hydrogen 3.029 N/A ILE 64.A N LEU 4.A O no hydrogen 2.833 N/A LEU 65.A N LEU 88.A O no hydrogen 2.967 N/A ALA 66.A N VAL 6.A O no hydrogen 2.944 N/A ASN 68.A N GLN 47.A OE1 no hydrogen 2.877 N/A ASN 68.A ND2 LYS 8.A O no hydrogen 3.022 N/A ASN 68.A ND2 ASP 43.A O no hydrogen 3.597 N/A ALA 70.A N GLY 138.A O no hydrogen 2.935 N/A ASP 72.A N SER 69.A OG no hydrogen 2.833 N/A LEU 73.A N SER 69.A O no hydrogen 3.408 N/A THR 74.A N GLU 71.A O no hydrogen 3.185 N/A THR 74.A OG1 GLU 71.A O no hydrogen 3.453 N/A VAL 77.A N LEU 73.A O no hydrogen 3.065 N/A ALA 78.A N THR 74.A O no hydrogen 2.821 N/A GLN 79.A N PRO 75.A O no hydrogen 3.153 N/A TYR 80.A OH LEU 51.A O no hydrogen 2.718 N/A ARG 81.A N VAL 77.A O no hydrogen 2.963 N/A ARG 81.A NH1 ASP 97.A O no hydrogen 3.225 N/A ARG 81.A NH1 ALA 98.A O no hydrogen 3.106 N/A ALA 82.A N ALA 78.A O no hydrogen 2.861 N/A ARG 83.A N GLN 79.A O no hydrogen 3.240 N/A ARG 83.A N TYR 80.A O no hydrogen 3.025 N/A ARG 83.A NH1 LEU 55.A O no hydrogen 3.413 N/A ARG 83.A NH2 LEU 55.A O no hydrogen 3.440 N/A ASN 84.A N ARG 81.A O no hydrogen 2.961 N/A ILE 85.A N TYR 80.A O no hydrogen 2.997 N/A VAL 87.A N GLN 100.A OE1 no hydrogen 2.776 N/A LEU 88.A N LEU 63.A O no hydrogen 2.836 N/A VAL 89.A N GLY 101.A O no hydrogen 2.878 N/A VAL 90.A N LEU 65.A O no hydrogen 2.833 N/A ASP 91.A N VAL 103.A O no hydrogen 2.925 N/A SER 92.A N VAL 90.A O no hydrogen 2.784 N/A SER 92.A OG SER 141.A OG no hydrogen 3.348 N/A LEU 94.A N ASP 93.A OD1 no hydrogen 2.939 N/A ALA 95.A N ALA 70.A O no hydrogen 2.677 N/A GLN 100.A N VAL 87.A O no hydrogen 2.811 N/A GLN 100.A NE2 ALA 98.A O no hydrogen 3.003 N/A LEU 102.A N ALA 261.A O no hydrogen 2.810 N/A VAL 103.A N VAL 89.A O no hydrogen 2.871 N/A ALA 104.A N THR 263.A O no hydrogen 3.086 N/A THR 105.A OG1 GLN 238.A OE1 no hydrogen 2.642 N/A ASN 107.A ND2 ASP 91.A O no hydrogen 3.316 N/A TYR 108.A OH ASP 151.A OD2 no hydrogen 2.511 N/A ALA 109.A N ASP 106.A OD1 no hydrogen 3.256 N/A ALA 110.A N ASP 106.A O no hydrogen 2.921 N/A GLY 111.A N ASN 107.A O no hydrogen 3.047 N/A GLN 112.A N TYR 108.A O no hydrogen 3.145 N/A GLN 112.A NE2 GLY 148.A O no hydrogen 3.271 N/A LEU 113.A N ALA 109.A O no hydrogen 2.897 N/A ALA 114.A N ALA 110.A O no hydrogen 2.936 N/A ALA 115.A N GLY 111.A O no hydrogen 3.052 N/A ARG 116.A N GLN 112.A O no hydrogen 2.977 N/A ALA 117.A N LEU 113.A O no hydrogen 2.908 N/A LEU 118.A N ALA 114.A O no hydrogen 2.881 N/A LEU 119.A N ALA 115.A O no hydrogen 2.848 N/A ALA 120.A N ARG 116.A O no hydrogen 3.120 N/A THR 121.A N LEU 118.A O no hydrogen 2.855 N/A THR 121.A OG1 LEU 118.A O no hydrogen 2.832 N/A LEU 122.A N LEU 119.A O no hydrogen 3.240 N/A SER 125.A N ASP 123.A OD1 no hydrogen 3.133 N/A SER 125.A OG.A ASP 123.A OD1 no hydrogen 3.456 N/A SER 125.A OG.B ASP 123.A OD1 no hydrogen 2.707 N/A SER 125.A OG.B ASP 123.A OD2 no hydrogen 3.525 N/A ARG 128.A N LYS 158.A O no hydrogen 2.800 N/A ASN 129.A N ASP 188.A OD2 no hydrogen 2.738 N/A ASN 129.A ND2 THR 186.A O no hydrogen 3.176 N/A ILE 130.A N ARG 160.A O no hydrogen 2.665 N/A ALA 131.A N GLY 189.A O no hydrogen 2.863 N/A LEU 132.A N ALA 163.A O no hydrogen 2.843 N/A LEU 133.A N PHE 191.A O no hydrogen 3.149 N/A ARG 134.A N PRO 165.A O no hydrogen 2.874 N/A ARG 134.A NE ALA 164.A O no hydrogen 3.023 N/A ARG 134.A NH1 GLU 146.A OE1 no hydrogen 3.126 N/A LEU 135.A N GLU 146.A OE2 no hydrogen 2.934 N/A ARG 136.A NE ASP 169.A OD1 no hydrogen 2.582 N/A ARG 136.A NH1 ASN 68.A O no hydrogen 2.767 N/A ARG 136.A NH2 ASN 68.A O no hydrogen 3.003 N/A ARG 136.A NH2 ASP 169.A OD1 no hydrogen 3.503 N/A GLY 138.A N ASP 143.A OD2 no hydrogen 2.658 N/A ASN 139.A N ARG 136.A O no hydrogen 3.053 N/A ASN 139.A ND2 THR 142.A OG1 no hydrogen 2.783 N/A SER 141.A N SER 92.A OG no hydrogen 2.964 N/A SER 141.A OG SER 92.A OG no hydrogen 3.348 N/A THR 142.A OG1 ASN 139.A O no hydrogen 3.415 N/A ASP 143.A N ASN 139.A O no hydrogen 2.941 N/A GLN 144.A N ALA 140.A O no hydrogen 2.964 N/A ARG 145.A N SER 141.A O no hydrogen 3.054 N/A ARG 145.A NE ASN 107.A OD1 no hydrogen 2.761 N/A ARG 145.A NH1 PRO 193.A O no hydrogen 2.915 N/A ARG 145.A NH2 ASN 107.A OD1 no hydrogen 2.823 N/A GLU 146.A N THR 142.A O no hydrogen 2.900 N/A GLN 147.A N ASP 143.A O no hydrogen 2.962 N/A GLN 147.A NE2 ASP 151.A OD1 no hydrogen 2.964 N/A GLY 148.A N GLN 144.A O no hydrogen 2.866 N/A PHE 149.A N ARG 145.A O no hydrogen 3.012 N/A LEU 150.A N GLU 146.A O no hydrogen 2.993 N/A ASP 151.A N GLN 147.A O no hydrogen 2.838 N/A VAL 152.A N GLY 148.A O no hydrogen 3.344 N/A VAL 152.A N PHE 149.A O no hydrogen 3.288 N/A LEU 153.A N PHE 149.A O no hydrogen 3.334 N/A LEU 153.A N LEU 150.A O no hydrogen 3.129 N/A ARG 154.A N LEU 150.A O no hydrogen 2.812 N/A HIS 156.A N LEU 153.A O no hydrogen 3.040 N/A HIS 156.A ND1 ASP 157.A O no hydrogen 2.815 N/A LYS 158.A NZ ASP 157.A OD2 no hydrogen 2.567 N/A ILE 159.A N HIS 156.A O no hydrogen 3.265 N/A ARG 160.A N ARG 128.A O no hydrogen 3.017 N/A ARG 160.A NE.A GLU 127.A OE1 no hydrogen 3.437 N/A ARG 160.A NE.A GLU 127.A OE2 no hydrogen 3.301 N/A ARG 160.A NH2.A GLU 127.A OE1 no hydrogen 3.010 N/A ILE 162.A N ILE 130.A O no hydrogen 2.849 N/A ALA 167.A N ARG 134.A O no hydrogen 2.850 N/A GLY 168.A N LEU 135.A O no hydrogen 2.921 N/A ARG 171.A NH1 SER 11.A O no hydrogen 3.470 N/A GLY 172.A N ASP 170.A OD2 no hydrogen 2.805 N/A ALA 174.A N ASP 170.A O no hydrogen 3.133 N/A ARG 175.A N ARG 171.A O no hydrogen 2.921 N/A ARG 175.A NE GLN 207.A OE1 no hydrogen 3.068 N/A ARG 175.A NH2 GLN 207.A OE1 no hydrogen 3.012 N/A SER 176.A N GLY 172.A O no hydrogen 3.084 N/A SER 176.A OG GLY 172.A O no hydrogen 3.327 N/A GLU 177.A N ALA 173.A O no hydrogen 2.982 N/A ARG 179.A N SER 176.A O no hydrogen 3.159 N/A ARG 179.A NE GLU 177.A OE2 no hydrogen 3.192 N/A ARG 179.A NH1 GLU 183.A OE1 no hydrogen 3.119 N/A ARG 179.A NH2 GLU 177.A OE2 no hydrogen 2.762 N/A LEU 180.A N GLU 177.A O no hydrogen 3.053 N/A LYS 182.A N LEU 178.A O no hydrogen 3.224 N/A GLU 183.A N ARG 179.A O no hydrogen 2.944 N/A THR 184.A N LEU 180.A O no hydrogen 2.878 N/A THR 184.A OG1 LEU 180.A O no hydrogen 2.691 N/A ASP 188.A N ASN 129.A O no hydrogen 2.746 N/A GLY 189.A N ASN 129.A O no hydrogen 3.228 N/A LEU 190.A N GLY 214.A O no hydrogen 2.887 N/A PHE 191.A N ALA 131.A O no hydrogen 3.147 N/A THR 192.A N ILE 216.A O no hydrogen 3.101 N/A THR 192.A OG1 THR 198.A OG1 no hydrogen 2.711 N/A ASN 194.A N THR 197.A OG1 no hydrogen 3.078 N/A ASN 194.A ND2 SER 196.A OG no hydrogen 3.174 N/A GLU 195.A N ASP 219.A OD2 no hydrogen 2.879 N/A SER 196.A OG ASP 169.A O no hydrogen 3.422 N/A SER 196.A OG ASN 194.A OD1 no hydrogen 3.142 N/A THR 197.A N ASN 194.A OD1 no hydrogen 2.919 N/A THR 197.A OG1 ASN 194.A O no hydrogen 3.109 N/A THR 197.A OG1 ASN 194.A OD1 no hydrogen 2.765 N/A THR 198.A N ASN 194.A O no hydrogen 2.898 N/A THR 198.A OG1 THR 192.A O no hydrogen 3.393 N/A THR 198.A OG1 THR 192.A OG1 no hydrogen 2.711 N/A THR 198.A OG1 ASN 194.A O no hydrogen 2.671 N/A THR 198.A OG1 PHE 218.A O no hydrogen 3.449 N/A ILE 199.A N GLU 195.A O no hydrogen 2.974 N/A GLY 200.A N SER 196.A O no hydrogen 2.970 N/A ALA 201.A N THR 197.A O no hydrogen 2.988 N/A LEU 202.A N THR 198.A O no hydrogen 2.915 N/A VAL 203.A N ILE 199.A O no hydrogen 3.019 N/A ALA 204.A N GLY 200.A O no hydrogen 3.062 N/A ILE 205.A N ALA 201.A O no hydrogen 2.777 N/A ARG 206.A N LEU 202.A O no hydrogen 3.044 N/A ARG 206.A NE GLU 231.A OE1 no hydrogen 2.773 N/A ARG 206.A NH2 GLU 231.A OE2 no hydrogen 2.929 N/A GLN 207.A N VAL 203.A O no hydrogen 2.941 N/A SER 208.A N ALA 204.A O no hydrogen 2.950 N/A SER 208.A OG ALA 204.A O no hydrogen 2.753 N/A GLY 209.A N ARG 206.A O no hydrogen 2.919 N/A SER 210.A OG GLU 231.A OE1 no hydrogen 3.402 N/A GLY 214.A N ASP 188.A O no hydrogen 3.162 N/A PHE 215.A N SER 233.A OG no hydrogen 2.827 N/A ILE 216.A N LEU 190.A O no hydrogen 2.928 N/A GLY 217.A N ASN 234.A O no hydrogen 2.971 N/A PHE 218.A N THR 198.A OG1 no hydrogen 3.122 N/A ASP 219.A N VAL 236.A O no hydrogen 2.766 N/A GLN 220.A NE2 GLU 225.A OE2 no hydrogen 2.834 N/A LEU 224.A N THR 221.A OG1 no hydrogen 3.159 N/A GLU 225.A N THR 221.A O no hydrogen 2.871 N/A ALA 226.A N GLU 222.A O no hydrogen 2.977 N/A ALA 227.A N GLU 223.A O no hydrogen 3.108 N/A ALA 229.A N ALA 226.A O no hydrogen 2.912 N/A GLU 231.A N ALA 227.A O no hydrogen 2.820 N/A ILE 232.A N ALA 227.A O no hydrogen 3.241 N/A SER 233.A N PHE 215.A O no hydrogen 2.745 N/A SER 233.A OG PHE 215.A O no hydrogen 3.368 N/A ASN 234.A ND2 GLN 271.A O no hydrogen 2.843 N/A LEU 235.A N ASN 234.A OD1 no hydrogen 2.912 N/A VAL 236.A N GLY 217.A O no hydrogen 3.011 N/A VAL 237.A N ARG 268.A O no hydrogen 2.842 N/A GLN 238.A NE2 ASP 219.A OD1 no hydrogen 2.846 N/A TYR 244.A N GLU 241.A O no hydrogen 2.992 N/A TYR 244.A OH GLU 28.A OE1 no hydrogen 2.520 N/A LEU 245.A N TYR 242.A O no hydrogen 2.859 N/A VAL 247.A N GLY 243.A O no hydrogen 3.201 N/A GLN 248.A N TYR 244.A O no hydrogen 3.130 N/A ARG 249.A N LEU 245.A O no hydrogen 2.841 N/A ALA 250.A N ALA 246.A O no hydrogen 2.863 N/A LEU 251.A N VAL 247.A O no hydrogen 2.982 N/A ASP 252.A N GLN 248.A O no hydrogen 3.041 N/A LEU 253.A N ARG 249.A O no hydrogen 3.081 N/A VAL 254.A N ALA 250.A O no hydrogen 2.961 N/A ARG 255.A N LEU 251.A O no hydrogen 2.979 N/A GLY 256.A N LEU 253.A O no hydrogen 3.013 N/A LYS 257.A N ASP 252.A O no hydrogen 2.808 N/A THR 263.A N LEU 102.A O no hydrogen 2.862 N/A THR 265.A N ALA 104.A O no hydrogen 2.896 N/A GLY 266.A N ASP 264.A OD1 no hydrogen 2.959 N/A ARG 268.A N VAL 237.A O no hydrogen 3.142 N/A LEU 270.A N LEU 235.A O no hydrogen 2.773 N/A GLN 271.A N ASN 234.A OD1 no hydrogen 3.187 N/A GLN 271.A NE2 SER 233.A O no hydrogen 2.859 N/A