Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i2w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 6.A OE2 no hydrogen 3.066 N/A SER 1.A OG GLU 6.A OE2 no hydrogen 2.748 N/A TRP 5.A N SER 3.A OG no hydrogen 3.240 N/A GLU 6.A N SER 3.A O no hydrogen 3.115 N/A GLY 8.A N GLN 125.A OE1 no hydrogen 3.234 N/A ASN 9.A N GLU 6.A O no hydrogen 3.305 N/A ASN 9.A ND2 SER 1.A O no hydrogen 3.420 N/A ASN 9.A ND2 SER 3.A O no hydrogen 2.768 N/A LYS 11.A N GLY 8.A O no hydrogen 3.205 N/A ARG 12.A NH1 ASP 2.A O no hydrogen 3.019 N/A ARG 12.A NH2 ASP 2.A O no hydrogen 3.233 N/A THR 14.A N TYR 10.A O no hydrogen 3.370 N/A LYS 15.A N LYS 11.A O no hydrogen 2.666 N/A LYS 15.A NZ ASP 19.A OD2 no hydrogen 3.164 N/A ARG 16.A N ARG 12.A O no hydrogen 3.106 N/A ILE 17.A N THR 14.A O no hydrogen 2.817 N/A ASP 19.A N LYS 15.A O no hydrogen 2.894 N/A GLY 20.A N ARG 16.A O no hydrogen 2.843 N/A TYR 21.A N ILE 17.A O no hydrogen 3.411 N/A LYS 22.A N GLU 18.A O no hydrogen 2.958 N/A LEU 23.A N ASP 19.A O no hydrogen 2.809 N/A CYS 24.A N GLY 20.A O no hydrogen 3.273 N/A CYS 24.A SG GLY 20.A O no hydrogen 3.798 N/A ASN 25.A N TYR 21.A O no hydrogen 3.429 N/A ASP 26.A N LYS 22.A O no hydrogen 3.034 N/A LEU 27.A N LEU 23.A O no hydrogen 2.716 N/A GLN 28.A N CYS 24.A O no hydrogen 3.030 N/A GLN 28.A NE2 CYS 24.A O no hydrogen 2.860 N/A GLN 29.A N ASN 25.A O no hydrogen 2.891 N/A GLN 29.A NE2 GLU 33.A OE2 no hydrogen 3.018 N/A LEU 30.A N ASP 26.A O no hydrogen 2.885 N/A ILE 31.A N LEU 27.A O no hydrogen 3.078 N/A GLN 32.A N GLN 28.A O no hydrogen 2.866 N/A GLU 33.A N GLN 29.A O no hydrogen 2.818 N/A ARG 34.A N LEU 30.A O no hydrogen 3.017 N/A ARG 34.A N ILE 31.A O no hydrogen 2.788 N/A ARG 34.A NE GLU 38.A OE2 no hydrogen 2.942 N/A ALA 35.A N ILE 31.A O no hydrogen 2.856 N/A ASP 36.A N GLN 32.A O no hydrogen 2.928 N/A ASP 36.A N GLU 33.A O no hydrogen 3.212 N/A ILE 37.A N GLU 33.A O no hydrogen 3.320 N/A GLU 38.A N ARG 34.A O no hydrogen 2.938 N/A LYS 39.A N ALA 35.A O no hydrogen 3.019 N/A GLY 40.A N ILE 37.A O no hydrogen 2.935 N/A TYR 41.A N ILE 37.A O no hydrogen 3.157 N/A ALA 42.A N GLU 38.A O no hydrogen 3.063 N/A LYS 43.A N LYS 39.A O no hydrogen 3.046 N/A SER 44.A N GLY 40.A O no hydrogen 2.976 N/A SER 44.A OG GLY 40.A O no hydrogen 3.293 N/A LEU 45.A N TYR 41.A O no hydrogen 2.958 N/A ARG 46.A N ALA 42.A O no hydrogen 3.273 N/A ARG 46.A NE SER 80.A OG no hydrogen 3.087 N/A ARG 46.A NH2 ASP 81.A OD1 no hydrogen 2.672 N/A THR 47.A N LYS 43.A O no hydrogen 3.026 N/A THR 47.A OG1 LYS 43.A O no hydrogen 3.101 N/A TRP 48.A N SER 44.A O no hydrogen 3.016 N/A SER 49.A N LEU 45.A O no hydrogen 2.816 N/A SER 49.A OG LEU 73.A O no hydrogen 3.305 N/A LYS 50.A N ARG 46.A O no hydrogen 2.896 N/A LYS 51.A N THR 47.A O no hydrogen 2.986 N/A TRP 52.A N TRP 48.A O no hydrogen 3.108 N/A GLY 53.A N SER 49.A O no hydrogen 2.988 N/A GLU 54.A N LYS 50.A O no hydrogen 3.259 N/A LEU 55.A N LYS 51.A O no hydrogen 3.092 N/A ILE 56.A N TRP 52.A O no hydrogen 2.902 N/A GLU 57.A N GLY 53.A O no hydrogen 3.354 N/A LYS 58.A N GLU 54.A O no hydrogen 3.029 N/A GLY 59.A N LEU 55.A O no hydrogen 3.018 N/A GLY 59.A N ILE 56.A O no hydrogen 2.922 N/A TYR 62.A OH ASP 244.A O no hydrogen 3.328 N/A THR 64.A N ASP 244.A OD1 no hydrogen 2.873 N/A THR 64.A OG1 ASN 238.A O no hydrogen 3.388 N/A THR 64.A OG1 ASP 240.A O no hydrogen 3.523 N/A THR 64.A OG1 ASP 244.A OD1 no hydrogen 3.314 N/A THR 64.A OG1 ASP 244.A OD2 no hydrogen 3.083 N/A THR 65.A N ASP 244.A OD2 no hydrogen 2.750 N/A THR 65.A OG1 ASP 244.A OD2 no hydrogen 3.310 N/A GLU 66.A N TYR 62.A O no hydrogen 3.231 N/A ALA 67.A N GLY 63.A O no hydrogen 3.291 N/A ALA 68.A N THR 64.A O no hydrogen 2.919 N/A TRP 69.A N THR 65.A O no hydrogen 3.016 N/A TRP 69.A NE1 GLU 61.A OE1 no hydrogen 2.954 N/A LYS 70.A N GLU 66.A O no hydrogen 3.252 N/A GLY 71.A N ALA 67.A O no hydrogen 3.287 N/A GLY 71.A N ALA 68.A O no hydrogen 2.760 N/A THR 74.A N LYS 70.A O no hydrogen 3.230 N/A GLU 75.A N GLY 71.A O no hydrogen 2.992 N/A SER 76.A N VAL 72.A O no hydrogen 2.927 N/A SER 76.A OG LEU 73.A O no hydrogen 2.555 N/A GLU 77.A N LEU 73.A O no hydrogen 3.019 N/A ARG 78.A N THR 74.A O no hydrogen 2.930 N/A ILE 79.A N GLU 75.A O no hydrogen 2.870 N/A SER 80.A N SER 76.A O no hydrogen 3.010 N/A SER 80.A OG GLU 77.A O no hydrogen 2.443 N/A SER 80.A OG ASP 81.A OD1 no hydrogen 3.235 N/A ASP 81.A N GLU 77.A O no hydrogen 3.203 N/A VAL 82.A N ARG 78.A O no hydrogen 3.103 N/A HIS 83.A N ILE 79.A O no hydrogen 3.086 N/A HIS 83.A ND1 ILE 79.A O no hydrogen 3.275 N/A ILE 85.A N HIS 83.A O no hydrogen 2.924 N/A LYS 86.A N HIS 83.A O no hydrogen 2.897 N/A LYS 86.A NZ ASP 87.A OD1 no hydrogen 3.057 N/A ASN 88.A N LYS 84.A O no hydrogen 2.925 N/A LEU 89.A N ILE 85.A O no hydrogen 2.970 N/A CYS 90.A N LYS 86.A O no hydrogen 2.955 N/A CYS 90.A SG GLN 32.A OE1 no hydrogen 3.665 N/A CYS 90.A SG LYS 86.A O no hydrogen 3.561 N/A ASN 91.A N ASP 87.A O no hydrogen 2.701 N/A VAL 93.A N ASN 88.A O no hydrogen 3.091 N/A ASN 94.A N LEU 89.A O no hydrogen 2.858 N/A ASN 94.A ND2 GLN 28.A O no hydrogen 2.932 N/A SER 95.A OG ASN 91.A O no hydrogen 3.222 N/A SER 95.A OG ASP 92.A O no hydrogen 3.223 N/A GLN 96.A N ASP 92.A O no hydrogen 3.186 N/A GLN 96.A N VAL 93.A O no hydrogen 3.031 N/A GLN 96.A NE2 ASP 92.A O no hydrogen 3.336 N/A ILE 97.A N VAL 93.A O no hydrogen 3.281 N/A LYS 98.A N ASN 94.A O no hydrogen 3.046 N/A THR 99.A N SER 95.A O no hydrogen 2.989 N/A THR 99.A OG1 SER 95.A O no hydrogen 3.498 N/A TRP 100.A N GLN 96.A O no hydrogen 3.037 N/A GLN 101.A N ILE 97.A O no hydrogen 2.677 N/A GLN 101.A NE2 ASN 25.A OD1 no hydrogen 3.482 N/A LYS 102.A N LYS 98.A O no hydrogen 3.155 N/A GLU 103.A N THR 99.A O no hydrogen 2.947 N/A GLU 103.A N TRP 100.A O no hydrogen 2.988 N/A ASN 104.A N TRP 100.A O no hydrogen 3.052 N/A TYR 105.A N GLN 101.A O no hydrogen 2.991 N/A HIS 106.A N GLU 113.A OE1 no hydrogen 3.037 N/A HIS 106.A ND1 GLU 113.A OE2 no hydrogen 2.335 N/A LYS 112.A N HIS 106.A O no hydrogen 2.684 N/A LYS 112.A NZ ASP 116.A OD2 no hydrogen 3.035 N/A GLU 113.A N GLU 113.A OE1 no hydrogen 2.877 N/A ARG 114.A N ILE 111.A O no hydrogen 3.105 N/A ARG 114.A NE GLU 118.A OE2 no hydrogen 2.819 N/A ARG 114.A NH1 GLU 18.A OE1 no hydrogen 2.828 N/A LYS 115.A N ILE 111.A O no hydrogen 3.260 N/A LYS 115.A NZ GLN 110.A OE1 no hydrogen 3.075 N/A ASP 116.A N LYS 112.A O no hydrogen 2.837 N/A LEU 117.A N GLU 113.A O no hydrogen 3.378 N/A GLU 118.A N ARG 114.A O no hydrogen 2.914 N/A ASP 119.A N LYS 115.A O no hydrogen 2.853 N/A LEU 120.A N ASP 116.A O no hydrogen 2.946 N/A PHE 121.A N LEU 117.A O no hydrogen 3.018 N/A LYS 122.A N GLU 118.A O no hydrogen 3.285 N/A LYS 123.A N ASP 119.A O no hydrogen 3.113 N/A ALA 124.A N LEU 120.A O no hydrogen 3.159 N/A GLN 125.A N PHE 121.A O no hydrogen 2.592 N/A GLN 125.A NE2 GLU 6.A O no hydrogen 3.383 N/A GLN 125.A NE2 TYR 185.A OH no hydrogen 3.192 N/A LYS 126.A N LYS 122.A O no hydrogen 2.634 N/A LYS 126.A N LYS 123.A O no hydrogen 3.036 N/A TRP 128.A NE1 ASN 182.A OD1 no hydrogen 3.061 N/A ALA 129.A N GLN 125.A O no hydrogen 3.162 N/A ALA 129.A N LYS 126.A O no hydrogen 2.963 N/A LYS 130.A N LYS 126.A O no hydrogen 3.174 N/A LYS 130.A N PRO 127.A O no hydrogen 2.937 N/A LEU 131.A N PRO 127.A O no hydrogen 3.186 N/A LEU 132.A N TRP 128.A O no hydrogen 2.913 N/A ALA 133.A N ALA 129.A O no hydrogen 2.976 N/A LYS 134.A N LYS 130.A O no hydrogen 2.994 N/A VAL 135.A N LEU 131.A O no hydrogen 2.901 N/A GLU 136.A N LEU 132.A O no hydrogen 2.977 N/A LYS 137.A N ALA 133.A O no hydrogen 3.017 N/A ALA 138.A N LYS 134.A O no hydrogen 3.173 N/A LYS 139.A N VAL 135.A O no hydrogen 2.854 N/A ALA 140.A N GLU 136.A O no hydrogen 3.186 N/A ASP 141.A N LYS 137.A O no hydrogen 2.895 N/A TYR 142.A N ALA 138.A O no hydrogen 3.215 N/A HIS 143.A N LYS 139.A O no hydrogen 2.944 N/A SER 144.A N ALA 140.A O no hydrogen 3.044 N/A SER 144.A N ASP 141.A O no hydrogen 3.189 N/A ALA 145.A N ASP 141.A O no hydrogen 3.000 N/A ALA 145.A N TYR 142.A O no hydrogen 3.129 N/A CYS 146.A N TYR 142.A O no hydrogen 3.029 N/A CYS 146.A SG TYR 142.A O no hydrogen 3.789 N/A THR 148.A N SER 144.A O no hydrogen 3.164 N/A THR 148.A OG1 SER 144.A O no hydrogen 2.738 N/A LYS 161.A NZ VAL 157.A O no hydrogen 3.307 N/A ASP 162.A N GLN 158.A O no hydrogen 3.090 N/A LYS 166.A N ASP 162.A O no hydrogen 3.026 N/A CYS 167.A N GLN 163.A O no hydrogen 3.059 N/A LYS 170.A N LYS 166.A O no hydrogen 3.264 N/A LYS 170.A NZ GLN 173.A OE1 no hydrogen 2.698 N/A TYR 171.A N CYS 167.A O no hydrogen 2.802 N/A GLN 173.A N LYS 170.A O no hydrogen 2.731 N/A ALA 174.A N LYS 170.A O no hydrogen 3.052 N/A ILE 175.A N TYR 171.A O no hydrogen 3.270 N/A GLU 177.A N ALA 174.A O no hydrogen 2.882 N/A ILE 178.A N ALA 174.A O no hydrogen 2.851 N/A THR 179.A N ILE 175.A O no hydrogen 2.805 N/A THR 179.A OG1 ILE 175.A O no hydrogen 2.945 N/A LYS 180.A N ALA 176.A O no hydrogen 3.177 N/A LYS 180.A N GLU 177.A O no hydrogen 3.053 N/A TYR 181.A N GLU 177.A O no hydrogen 3.189 N/A TYR 181.A N ILE 178.A O no hydrogen 2.463 N/A ASN 182.A N ILE 178.A O no hydrogen 3.112 N/A VAL 184.A N TYR 181.A O no hydrogen 2.468 N/A TYR 185.A N TYR 181.A O no hydrogen 3.019 N/A TYR 185.A OH TRP 5.A O no hydrogen 2.710 N/A ILE 186.A N ASN 182.A O no hydrogen 2.735 N/A GLU 187.A N SER 183.A O no hydrogen 2.986 N/A ASP 188.A N VAL 184.A O no hydrogen 3.017 N/A ASP 188.A N TYR 185.A O no hydrogen 2.773 N/A THR 189.A OG1 ILE 186.A O no hydrogen 2.822 N/A SER 190.A N GLU 187.A O no hydrogen 3.066 N/A VAL 191.A N ASP 188.A O no hydrogen 3.109 N/A GLU 193.A N THR 189.A O no hydrogen 3.099 N/A LYS 194.A N SER 190.A O no hydrogen 3.324 N/A LYS 194.A N VAL 191.A O no hydrogen 2.962 N/A CYS 195.A N VAL 191.A O no hydrogen 3.212 N/A CYS 195.A SG VAL 191.A O no hydrogen 3.371 N/A GLN 196.A N PHE 192.A O no hydrogen 2.845 N/A THR 197.A N GLU 193.A O no hydrogen 2.935 N/A THR 197.A OG1 GLU 193.A O no hydrogen 3.251 N/A PHE 198.A N LYS 194.A O no hydrogen 3.049 N/A GLU 199.A N CYS 195.A O no hydrogen 3.109 N/A LYS 200.A N GLN 196.A O no hydrogen 2.854 N/A THR 201.A N PHE 198.A O no hydrogen 2.679 N/A THR 201.A OG1 THR 197.A O no hydrogen 3.418 N/A ARG 202.A NH2 GLU 199.A OE1 no hydrogen 2.323 N/A LEU 203.A N GLU 199.A O no hydrogen 3.143 N/A GLN 204.A N LYS 200.A O no hydrogen 3.043 N/A PHE 205.A N ARG 202.A O no hydrogen 2.983 N/A PHE 206.A N ARG 202.A O no hydrogen 2.823 N/A LYS 207.A N LEU 203.A O no hydrogen 3.248 N/A GLU 208.A N GLN 204.A O no hydrogen 3.225 N/A ILE 209.A N PHE 205.A O no hydrogen 2.968 N/A LEU 210.A N PHE 206.A O no hydrogen 2.840 N/A PHE 211.A N LYS 207.A O no hydrogen 3.066 N/A ASN 212.A N GLU 208.A O no hydrogen 3.098 N/A ASN 212.A N ILE 209.A O no hydrogen 2.789 N/A VAL 213.A N ILE 209.A O no hydrogen 2.880 N/A HIS 214.A N LEU 210.A O no hydrogen 2.906 N/A SER 215.A N PHE 211.A O no hydrogen 2.953 N/A SER 215.A OG PHE 211.A O no hydrogen 3.001 N/A CYS 216.A N VAL 213.A O no hydrogen 2.890 N/A CYS 216.A SG ASN 212.A O no hydrogen 3.618 N/A LEU 217.A N HIS 214.A O no hydrogen 2.867 N/A THR 220.A N ASP 218.A OD1 no hydrogen 2.867 N/A THR 220.A OG1 ASP 218.A OD1 no hydrogen 2.827 N/A THR 220.A OG1 ASP 218.A OD2 no hydrogen 3.007 N/A LYS 221.A N ASP 218.A O no hydrogen 3.068 N/A LYS 221.A NZ THR 220.A OG1 no hydrogen 2.899 N/A VAL 222.A N LEU 219.A O no hydrogen 2.966 N/A LEU 225.A N GLN 223.A O no hydrogen 2.805 N/A ILE 228.A N SER 224.A O no hydrogen 3.027 N/A TYR 229.A OH GLU 75.A OE1 no hydrogen 2.784 N/A GLU 230.A N GLN 227.A O no hydrogen 3.184 N/A GLU 231.A N GLN 227.A O no hydrogen 2.974 N/A PHE 232.A N ILE 228.A O no hydrogen 3.100 N/A SER 233.A N TYR 229.A O no hydrogen 3.195 N/A SER 233.A OG TYR 229.A O no hydrogen 3.487 N/A SER 233.A OG GLU 230.A O no hydrogen 3.036 N/A HIS 234.A N GLU 230.A O no hydrogen 2.834 N/A THR 235.A N GLU 231.A O no hydrogen 3.224 N/A THR 235.A OG1 GLU 231.A O no hydrogen 3.171 N/A ILE 236.A N PHE 232.A O no hydrogen 3.062 N/A ASN 237.A N SER 233.A O no hydrogen 2.878 N/A ASN 238.A N THR 235.A O no hydrogen 3.077 N/A ALA 239.A N ILE 236.A O no hydrogen 2.959 N/A ASP 240.A N THR 64.A OG1 no hydrogen 2.664 N/A GLN 242.A N ASP 240.A OD1 no hydrogen 3.225 N/A ASP 244.A N ASP 240.A O no hydrogen 3.158 N/A LEU 245.A N GLN 241.A O no hydrogen 2.869 N/A LYS 246.A N GLN 242.A O no hydrogen 2.975 N/A TRP 247.A N LYS 243.A O no hydrogen 2.817 N/A TRP 248.A N ASP 244.A O no hydrogen 3.139 N/A SER 249.A N LEU 245.A O no hydrogen 3.087 N/A ASN 250.A N LYS 246.A O no hydrogen 3.029 N/A ASN 251.A N TRP 247.A O no hydrogen 3.034 N/A ASN 251.A N TRP 248.A O no hydrogen 3.209 N/A HIS 252.A N TRP 248.A O no hydrogen 2.643 N/A GLY 253.A N SER 249.A O no hydrogen 3.082 N/A ASN 255.A N SER 249.A O no hydrogen 3.103 N/A ASN 255.A N SER 249.A OG no hydrogen 3.352 N/A SER 260.A OG TRP 258.A O no hydrogen 3.563 N/A