Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e2s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 108.A OD2 no hydrogen 2.870 N/A TRP 4.A N PRO 1.A O no hydrogen 2.864 N/A ALA 6.A N TYR 3.A O no hydrogen 3.003 N/A THR 7.A N TRP 4.A O no hydrogen 3.278 N/A THR 7.A OG1 ASN 8.A OD1 no hydrogen 3.145 N/A SER 12.A N HIS 15.A ND1 no hydrogen 3.007 N/A SER 12.A OG SER 14.A OG no hydrogen 3.331 N/A SER 14.A N SER 12.A OG no hydrogen 3.124 N/A SER 14.A OG SER 12.A OG no hydrogen 3.331 N/A HIS 15.A N SER 12.A O no hydrogen 3.048 N/A LEU 16.A N PRO 13.A O no hydrogen 3.284 N/A LEU 19.A N LEU 16.A O no hydrogen 3.411 N/A PHE 22.A N LEU 19.A O no hydrogen 3.220 N/A THR 23.A OG1 SER 38.A OG no hydrogen 3.084 N/A ARG 24.A N GLU 37.A OE2 no hydrogen 2.982 N/A ARG 24.A NH1 ASP 225.A OD1 no hydrogen 3.200 N/A ARG 24.A NH2 PRO 220.A O no hydrogen 2.997 N/A ARG 24.A NH2 ASP 225.A OD2 no hydrogen 2.736 N/A SER 25.A N THR 23.A OG1 no hydrogen 3.140 N/A SER 25.A OG THR 35.A OG1 no hydrogen 2.590 N/A SER 25.A OG SER 38.A OG no hydrogen 3.033 N/A VAL 26.A N LEU 33.A O no hydrogen 2.749 N/A LYS 28.A N HIS 31.A O no hydrogen 2.868 N/A LYS 28.A NZ TYR 219.A OH no hydrogen 3.007 N/A HIS 31.A ND1 ASP 30.A OD1 no hydrogen 3.176 N/A HIS 31.A NE2 TYR 219.A OH no hydrogen 2.926 N/A ALA 32.A N TRP 228.A O no hydrogen 2.856 N/A LEU 33.A N VAL 26.A O no hydrogen 2.835 N/A ILE 34.A N VAL 226.A O no hydrogen 2.756 N/A THR 35.A N SER 25.A OG no hydrogen 2.870 N/A THR 35.A OG1 SER 25.A OG no hydrogen 2.590 N/A THR 35.A OG1 GLU 37.A OE1 no hydrogen 2.942 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.368 N/A SER 38.A N THR 35.A O no hydrogen 3.045 N/A SER 38.A OG THR 23.A OG1 no hydrogen 3.084 N/A SER 38.A OG SER 25.A OG no hydrogen 3.033 N/A HIS 39.A N PRO 36.A O no hydrogen 3.126 N/A TYR 41.A OH HIS 39.A ND1 no hydrogen 3.275 N/A SER 42.A N GLY 52.A O no hydrogen 2.979 N/A LEU 44.A N THR 50.A O no hydrogen 2.935 N/A THR 48.A N SER 76.A O no hydrogen 2.865 N/A ASN 49.A ND2 GLU 73.A O no hydrogen 3.587 N/A ASN 49.A ND2 MET 74.A O no hydrogen 2.824 N/A THR 50.A OG1 THR 48.A O no hydrogen 3.152 N/A GLY 52.A N SER 42.A O no hydrogen 3.030 N/A ALA 53.A N LEU 68.A O no hydrogen 3.035 N/A LEU 55.A N MET 66.A O no hydrogen 2.759 N/A ILE 56.A N MET 66.A O no hydrogen 3.251 N/A ALA 59.A N THR 57.A OG1 no hydrogen 3.205 N/A THR 60.A N THR 57.A O no hydrogen 3.114 N/A THR 60.A OG1 THR 57.A O no hydrogen 3.127 N/A GLY 61.A N PRO 58.A O no hydrogen 2.706 N/A SER 62.A OG THR 57.A O no hydrogen 2.788 N/A SER 62.A OG PHE 64.A O no hydrogen 2.962 N/A HIS 63.A NE2 TYR 250.A OH no hydrogen 2.514 N/A VAL 65.A N GLU 133.A O no hydrogen 2.970 N/A MET 66.A N ILE 56.A O no hydrogen 2.859 N/A TYR 67.A N VAL 131.A O no hydrogen 3.163 N/A TYR 67.A OH GLU 133.A OE2 no hydrogen 2.739 N/A LEU 68.A N ALA 53.A O no hydrogen 3.100 N/A ALA 69.A N LEU 129.A O no hydrogen 2.653 N/A LYS 70.A N LEU 51.A O no hydrogen 2.841 N/A LYS 70.A NZ THR 128.A OG1 no hydrogen 3.208 N/A MET 71.A N ALA 127.A O no hydrogen 2.850 N/A LYS 72.A N SER 75.A OG no hydrogen 3.080 N/A SER 75.A N CYS 123.A O no hydrogen 3.386 N/A SER 75.A OG LYS 72.A O no hydrogen 2.866 N/A SER 76.A N THR 48.A O no hydrogen 3.226 N/A SER 77.A N LEU 121.A O no hydrogen 2.672 N/A SER 77.A OG LEU 121.A O no hydrogen 3.333 N/A GLU 85.A N ARG 134.A O no hydrogen 2.874 N/A ARG 86.A N LEU 113.A O no hydrogen 3.343 N/A ARG 86.A NE GLU 133.A OE2 no hydrogen 2.618 N/A ARG 86.A NH1 GLY 78.A O no hydrogen 3.248 N/A ARG 86.A NH2 GLY 78.A O no hydrogen 3.123 N/A ARG 86.A NH2 GLU 133.A OE2 no hydrogen 2.770 N/A LEU 87.A N PHE 132.A O no hydrogen 2.906 N/A ILE 88.A N ALA 111.A O no hydrogen 2.914 N/A PHE 89.A N VAL 130.A O no hydrogen 2.969 N/A VAL 90.A N SER 109.A O no hydrogen 2.874 N/A VAL 91.A N THR 128.A O no hydrogen 2.905 N/A GLU 92.A N THR 128.A O no hydrogen 3.369 N/A ALA 94.A N SER 126.A O no hydrogen 3.168 N/A VAL 95.A N LEU 105.A O no hydrogen 3.055 N/A THR 96.A N ASP 122.A O no hydrogen 2.879 N/A LEU 97.A N LYS 103.A O no hydrogen 2.779 N/A THR 98.A N SER 120.A O no hydrogen 3.267 N/A THR 98.A OG1 SER 120.A O no hydrogen 3.409 N/A THR 98.A OG1 ASP 122.A OD2 no hydrogen 3.537 N/A ASN 99.A ND2 SER 100.A O no hydrogen 3.282 N/A LYS 103.A N LEU 97.A O no hydrogen 2.736 N/A LEU 105.A N VAL 95.A O no hydrogen 2.954 N/A ASP 108.A N VAL 90.A O no hydrogen 2.805 N/A SER 109.A N THR 106.A O no hydrogen 2.961 N/A SER 109.A OG SER 150.A OG no hydrogen 3.216 N/A TYR 110.A N GLY 149.A O no hydrogen 3.285 N/A TYR 110.A OH LEU 169.A O no hydrogen 2.732 N/A ALA 111.A N ILE 88.A O no hydrogen 3.021 N/A TYR 112.A N ILE 147.A O no hydrogen 2.731 N/A TYR 112.A OH GLU 85.A OE1 no hydrogen 2.556 N/A TYR 112.A OH THR 144.A OG1 no hydrogen 3.361 N/A LEU 113.A N ARG 86.A O no hydrogen 2.847 N/A ASN 116.A ND2 ASP 83.A OD1 no hydrogen 3.420 N/A PHE 117.A N PRO 114.A O no hydrogen 2.950 N/A HIS 119.A ND1 PHE 117.A O no hydrogen 2.944 N/A SER 120.A N THR 98.A O no hydrogen 3.238 N/A SER 120.A OG ASP 122.A OD1 no hydrogen 3.245 N/A SER 120.A OG ASP 122.A OD2 no hydrogen 3.214 N/A LEU 121.A N SER 77.A OG no hydrogen 2.619 N/A ASP 122.A N THR 96.A O no hydrogen 2.926 N/A CYS 123.A N SER 75.A O no hydrogen 3.019 N/A CYS 123.A SG LYS 72.A O no hydrogen 3.768 N/A CYS 123.A SG ALA 94.A O no hydrogen 3.962 N/A SER 126.A OG GLU 92.A OE1 no hydrogen 3.147 N/A ALA 127.A N MET 71.A O no hydrogen 3.054 N/A THR 128.A N GLU 92.A O no hydrogen 2.954 N/A LEU 129.A N ALA 69.A O no hydrogen 2.830 N/A VAL 130.A N PHE 89.A O no hydrogen 3.036 N/A VAL 131.A N TYR 67.A O no hydrogen 3.005 N/A PHE 132.A N LEU 87.A O no hydrogen 2.955 N/A GLU 133.A N VAL 65.A O no hydrogen 3.287 N/A ARG 134.A N GLU 85.A O no hydrogen 3.206 N/A ARG 134.A NH1 ASP 177.A O no hydrogen 2.497 N/A ARG 134.A NH2 GLU 137.A OE2 no hydrogen 3.212 N/A TYR 136.A N ASP 83.A O no hydrogen 3.202 N/A TYR 136.A OH ALA 175.A O no hydrogen 2.980 N/A GLU 137.A N ASP 177.A OD2 no hydrogen 3.150 N/A TYR 138.A N TYR 136.A O no hydrogen 3.194 N/A TYR 138.A OH ASP 83.A OD1 no hydrogen 3.354 N/A HIS 142.A N LEU 139.A O no hydrogen 3.209 N/A THR 144.A OG1 TYR 112.A OH no hydrogen 3.361 N/A ILE 147.A N TYR 112.A O no hydrogen 2.958 N/A GLY 149.A N TYR 110.A O no hydrogen 3.374 N/A SER 150.A OG SER 109.A OG no hydrogen 3.216 N/A SER 150.A OG GLY 149.A O no hydrogen 3.021 N/A THR 151.A N ASP 108.A O no hydrogen 3.365 N/A THR 151.A OG1 ASP 108.A O no hydrogen 3.542 N/A THR 151.A OG1 ASP 108.A OD2 no hydrogen 2.746 N/A LYS 153.A N SER 150.A O no hydrogen 2.677 N/A LYS 153.A NZ ASP 152.A OD2 no hydrogen 3.195 N/A GLN 154.A N THR 151.A O no hydrogen 2.754 N/A LEU 157.A N LEU 166.A O no hydrogen 2.919 N/A THR 159.A OG1 PHE 164.A O no hydrogen 3.485 N/A GLU 162.A N THR 159.A O no hydrogen 3.012 N/A GLU 165.A N ASP 184.A O no hydrogen 2.893 N/A ARG 167.A N THR 182.A O no hydrogen 2.975 N/A ARG 167.A NE GLN 154.A O no hydrogen 2.763 N/A LEU 169.A N ILE 180.A O no hydrogen 2.948 N/A LEU 170.A N ASN 179.A OD1 no hydrogen 3.117 N/A ALA 175.A N SER 173.A OG no hydrogen 3.033 N/A TYR 176.A N SER 173.A O no hydrogen 3.180 N/A ASN 179.A N LYS 251.A O no hydrogen 2.830 N/A ASN 179.A ND2 LEU 170.A O no hydrogen 3.217 N/A ILE 180.A N ASN 179.A OD1 no hydrogen 2.692 N/A HIS 181.A N LEU 249.A O no hydrogen 2.921 N/A THR 182.A N ARG 167.A O no hydrogen 2.696 N/A MET 183.A N TYR 247.A O no hydrogen 3.205 N/A ASP 184.A N GLU 165.A O no hydrogen 2.935 N/A PHE 185.A N SER 245.A O no hydrogen 2.809 N/A GLY 188.A N ALA 239.A O no hydrogen 2.759 N/A GLU 189.A N GLN 186.A O no hydrogen 2.938 N/A LEU 191.A N TYR 237.A O no hydrogen 3.129 N/A ASN 192.A N GLU 162.A OE1 no hydrogen 3.418 N/A ASN 192.A N GLU 162.A OE2 no hydrogen 3.184 N/A ASN 192.A ND2 GLY 161.A O no hydrogen 2.993 N/A LYS 194.A NZ ASN 192.A O no hydrogen 2.390 N/A GLN 200.A N ASP 252.A OD1 no hydrogen 2.821 N/A HIS 201.A N MET 229.A O no hydrogen 2.893 N/A HIS 201.A ND1 TYR 250.A O no hydrogen 2.666 N/A LEU 203.A N ILE 227.A O no hydrogen 2.821 N/A LEU 204.A N LEU 248.A O no hydrogen 3.100 N/A LEU 205.A N ASP 225.A O no hydrogen 3.084 N/A LEU 206.A N ARG 246.A O no hydrogen 2.548 N/A GLU 207.A N ARG 246.A O no hydrogen 2.894 N/A GLY 210.A N VAL 221.A O no hydrogen 3.231 N/A ILE 211.A N ALA 238.A O no hydrogen 2.924 N/A TYR 212.A N TYR 219.A O no hydrogen 2.920 N/A ARG 213.A N TRP 236.A O no hydrogen 2.953 N/A ARG 213.A NE GLY 215.A O no hydrogen 2.816 N/A ARG 213.A NH2 GLY 215.A O no hydrogen 3.414 N/A LEU 214.A N ASN 217.A O no hydrogen 2.906 N/A GLY 215.A N PRO 234.A O no hydrogen 2.875 N/A ASN 217.A N LEU 214.A O no hydrogen 2.947 N/A TYR 219.A N TYR 212.A O no hydrogen 2.797 N/A TYR 219.A OH HIS 31.A NE2 no hydrogen 2.926 N/A VAL 221.A N GLY 210.A O no hydrogen 2.947 N/A GLN 222.A N ASP 225.A OD2 no hydrogen 2.717 N/A GLY 224.A N LEU 205.A O no hydrogen 2.921 N/A ASP 225.A N GLN 222.A O no hydrogen 2.976 N/A VAL 226.A N ILE 34.A O no hydrogen 3.081 N/A ILE 227.A N LEU 203.A O no hydrogen 2.964 N/A TRP 228.A N ALA 32.A O no hydrogen 2.807 N/A MET 229.A N HIS 201.A O no hydrogen 3.150 N/A ALA 230.A N ASP 30.A O no hydrogen 2.710 N/A PHE 232.A N HIS 197.A O no hydrogen 2.649 N/A VAL 233.A N ALA 230.A O no hydrogen 3.384 N/A GLN 235.A N GLU 195.A O no hydrogen 3.125 N/A GLN 235.A NE2 VAL 233.A O no hydrogen 3.145 N/A TRP 236.A N ARG 213.A O no hydrogen 3.246 N/A TYR 237.A OH SER 245.A OG no hydrogen 3.263 N/A ALA 238.A N ILE 211.A O no hydrogen 3.084 N/A ALA 239.A N GLU 189.A O no hydrogen 3.052 N/A LEU 240.A N GLN 209.A O no hydrogen 2.897 N/A THR 243.A OG1 ARG 244.A O no hydrogen 3.030 N/A ARG 244.A NE GLU 207.A OE1 no hydrogen 3.219 N/A ARG 244.A NH2 GLU 207.A OE2 no hydrogen 3.291 N/A SER 245.A N PHE 185.A O no hydrogen 2.737 N/A SER 245.A OG TYR 237.A OH no hydrogen 3.263 N/A ARG 246.A N GLU 207.A O no hydrogen 3.029 N/A ARG 246.A NE TYR 3.A OH no hydrogen 3.200 N/A ARG 246.A NH1 ASP 184.A OD1 no hydrogen 3.124 N/A ARG 246.A NH1 ASP 184.A OD2 no hydrogen 2.702 N/A ARG 246.A NH2 TYR 3.A OH no hydrogen 3.109 N/A TYR 247.A N MET 183.A O no hydrogen 3.182 N/A LEU 248.A N LEU 204.A O no hydrogen 3.064 N/A LEU 249.A N HIS 181.A O no hydrogen 2.880 N/A TYR 250.A N GLY 202.A O no hydrogen 3.309 N/A TYR 250.A OH HIS 63.A NE2 no hydrogen 2.514 N/A LYS 251.A N ASN 179.A O no hydrogen 3.127 N/A ASP 252.A N ASP 252.A OD1 no hydrogen 2.579 N/A VAL 253.A N ASP 177.A O no hydrogen 3.124 N/A ASN 254.A ND2 MET 172.A O no hydrogen 3.345 N/A ASN 254.A ND2 TYR 176.A O no hydrogen 2.652 N/A ARG 255.A NE GLU 137.A O no hydrogen 2.699 N/A ARG 255.A NH1 VAL 174.A O no hydrogen 3.038 N/A ARG 255.A NH1 ASN 254.A O no hydrogen 2.541 N/A ARG 255.A NH2 GLU 137.A O no hydrogen 3.081 N/A ARG 255.A NH2 ALA 175.A O no hydrogen 2.718 N/A