Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xey_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N ASP 3.A OD1 no hydrogen 3.024 N/A GLU 6.A N ASP 3.A O no hydrogen 3.299 N/A MET 7.A N VAL 70.A O no hydrogen 3.064 N/A ASP 11.A N GLU 8.A O no hydrogen 3.318 N/A ILE 12.A N ARG 9.A O no hydrogen 3.314 N/A THR 13.A N VAL 26.A O no hydrogen 3.024 N/A LYS 15.A N GLU 24.A O no hydrogen 2.756 N/A HIS 16.A N GLU 24.A O no hydrogen 2.956 N/A LYS 17.A NZ GLY 19.A O no hydrogen 2.858 N/A LEU 18.A N VAL 22.A O no hydrogen 2.752 N/A VAL 22.A N GLY 19.A O no hydrogen 3.242 N/A TYR 23.A N VAL 36.A O no hydrogen 2.886 N/A TYR 23.A OH GLU 21.A OE1 no hydrogen 2.911 N/A GLU 24.A N HIS 16.A O no hydrogen 2.794 N/A GLY 25.A N VAL 34.A O no hydrogen 2.915 N/A VAL 26.A N THR 13.A O no hydrogen 2.636 N/A TRP 27.A N LEU 32.A O no hydrogen 2.860 N/A LYS 28.A N ASP 11.A O no hydrogen 2.881 N/A LYS 28.A NZ THR 10.A O no hydrogen 2.960 N/A LYS 29.A NZ TYR 30.A OH no hydrogen 3.345 N/A SER 31.A N LYS 28.A O no hydrogen 3.139 N/A LEU 32.A N TRP 27.A O no hydrogen 2.928 N/A VAL 34.A N GLY 25.A O no hydrogen 2.914 N/A ALA 35.A N THR 81.A O no hydrogen 2.923 N/A VAL 36.A N TYR 23.A O no hydrogen 2.872 N/A LYS 37.A N ILE 79.A O no hydrogen 2.887 N/A THR 38.A N GLU 21.A O no hydrogen 2.906 N/A THR 38.A OG1 PHE 77.A O no hydrogen 3.546 N/A LYS 40.A NZ ASP 42.A O no hydrogen 2.662 N/A THR 43.A OG1 LYS 40.A O no hydrogen 3.326 N/A THR 43.A OG1 ASP 42.A O no hydrogen 2.733 N/A PHE 49.A N GLU 45.A O no hydrogen 2.914 N/A LEU 50.A N VAL 46.A O no hydrogen 2.955 N/A LYS 51.A N GLU 47.A O no hydrogen 2.892 N/A GLU 52.A N GLU 48.A O no hydrogen 2.909 N/A ALA 53.A N PHE 49.A O no hydrogen 2.977 N/A ALA 54.A N LEU 50.A O no hydrogen 2.945 N/A VAL 55.A N LYS 51.A O no hydrogen 2.902 N/A MET 56.A N GLU 52.A O no hydrogen 2.884 N/A LYS 57.A N ALA 53.A O no hydrogen 2.980 N/A LYS 57.A N ALA 54.A O no hydrogen 3.092 N/A LYS 57.A NZ ASP 3.A OD2 no hydrogen 2.528 N/A GLU 58.A N VAL 55.A O no hydrogen 2.858 N/A ILE 59.A N MET 56.A O no hydrogen 3.281 N/A LYS 60.A N TYR 119.A OH no hydrogen 3.146 N/A ASN 63.A N HIS 61.A ND1 no hydrogen 3.081 N/A ASN 63.A ND2 VAL 143.A O no hydrogen 3.139 N/A LEU 64.A N HIS 61.A O no hydrogen 3.024 N/A VAL 65.A N VAL 145.A O no hydrogen 3.304 N/A GLN 66.A N GLU 82.A OE2 no hydrogen 2.818 N/A GLN 66.A NE2 LEU 67.A O no hydrogen 2.997 N/A LEU 68.A N ILE 80.A O no hydrogen 2.868 N/A GLY 69.A N ILE 80.A O no hydrogen 3.227 N/A VAL 70.A N TRP 5.A O no hydrogen 3.112 N/A CYS 71.A N TYR 78.A O no hydrogen 2.953 N/A CYS 71.A SG MET 7.A O no hydrogen 3.529 N/A THR 72.A N GLU 6.A OE2 no hydrogen 2.781 N/A THR 72.A OG1 GLU 6.A OE2 no hydrogen 2.410 N/A TYR 78.A N CYS 71.A O no hydrogen 3.138 N/A ILE 79.A N LYS 37.A O no hydrogen 2.893 N/A ILE 80.A N GLY 69.A O no hydrogen 2.740 N/A THR 81.A N ALA 35.A O no hydrogen 2.864 N/A THR 81.A OG1 GLU 82.A O no hydrogen 3.027 N/A GLU 82.A N GLN 66.A O no hydrogen 3.034 N/A THR 85.A OG1 GLU 139.A OE1 no hydrogen 2.988 N/A THR 85.A OG1 GLU 139.A OE2 no hydrogen 3.000 N/A TYR 86.A N VAL 137.A O no hydrogen 2.953 N/A ASN 88.A ND2 ASP 91.A OD2 no hydrogen 2.929 N/A LEU 89.A N ALA 132.A O no hydrogen 3.183 N/A LEU 89.A N CYS 135.A O no hydrogen 2.662 N/A ASP 91.A N ASN 88.A OD1 no hydrogen 2.721 N/A TYR 92.A N ASN 88.A O no hydrogen 3.157 N/A TYR 92.A OH HIS 141.A ND1 no hydrogen 3.217 N/A LEU 93.A N LEU 89.A O no hydrogen 2.903 N/A ARG 94.A N LEU 90.A O no hydrogen 2.932 N/A ARG 94.A NE GLY 202.A O no hydrogen 2.686 N/A ARG 94.A NH2 GLY 202.A O no hydrogen 2.956 N/A GLU 95.A N ASP 91.A O no hydrogen 2.901 N/A CYS 96.A SG LEU 93.A O no hydrogen 3.157 N/A GLN 99.A N ASN 97.A OD1 no hydrogen 2.838 N/A VAL 101.A N ASN 97.A O no hydrogen 2.719 N/A ASN 102.A N GLU 100.A O no hydrogen 2.943 N/A LEU 106.A N ASN 102.A O no hydrogen 2.926 N/A LEU 107.A N ALA 103.A O no hydrogen 2.922 N/A TYR 108.A N VAL 104.A O no hydrogen 2.908 N/A MET 109.A N VAL 105.A O no hydrogen 2.905 N/A ALA 110.A N LEU 106.A O no hydrogen 2.955 N/A THR 111.A N LEU 107.A O no hydrogen 2.924 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.714 N/A THR 111.A OG1 PHE 259.A O no hydrogen 3.118 N/A GLN 112.A N TYR 108.A O no hydrogen 2.947 N/A GLN 112.A NE2 TYR 108.A O no hydrogen 3.541 N/A GLN 112.A NE2 HIS 141.A O no hydrogen 2.739 N/A ILE 113.A N MET 109.A O no hydrogen 2.979 N/A SER 114.A N ALA 110.A O no hydrogen 2.917 N/A SER 114.A OG ALA 110.A O no hydrogen 3.188 N/A SER 114.A OG THR 111.A O no hydrogen 2.710 N/A SER 114.A OG HIS 256.A ND1 no hydrogen 3.231 N/A SER 115.A N THR 111.A O no hydrogen 2.914 N/A SER 115.A OG HIS 61.A NE2 no hydrogen 3.119 N/A ALA 116.A N GLN 112.A O no hydrogen 2.993 N/A MET 117.A N ILE 113.A O no hydrogen 2.914 N/A GLU 118.A N SER 114.A O no hydrogen 2.910 N/A TYR 119.A N SER 115.A O no hydrogen 2.957 N/A LEU 120.A N ALA 116.A O no hydrogen 2.956 N/A GLU 121.A N MET 117.A O no hydrogen 2.897 N/A LYS 122.A N GLU 118.A O no hydrogen 2.935 N/A LYS 122.A NZ GLU 118.A OE2 no hydrogen 3.419 N/A LYS 123.A N TYR 119.A O no hydrogen 3.057 N/A ASN 124.A N GLU 121.A O no hydrogen 3.397 N/A PHE 125.A N LEU 120.A O no hydrogen 2.921 N/A ILE 126.A N SER 151.A O no hydrogen 2.912 N/A HIS 127.A N ASP 187.A OD2 no hydrogen 2.587 N/A HIS 127.A NE2 ALA 146.A O no hydrogen 2.565 N/A ARG 128.A N GLY 149.A O no hydrogen 2.697 N/A ARG 128.A NH1 GLU 52.A OE2 no hydrogen 3.226 N/A ARG 128.A NH1 LEU 150.A O no hydrogen 2.880 N/A ARG 128.A NH1 SER 151.A OG no hydrogen 2.742 N/A ARG 128.A NH2 PHE 148.A O no hydrogen 3.412 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.235 N/A ALA 132.A N GLU 197.A OE1 no hydrogen 3.050 N/A ARG 133.A NE ASP 129.A OD2 no hydrogen 3.349 N/A ARG 133.A NH2 ASP 129.A OD1 no hydrogen 3.046 N/A ASN 134.A N ALA 131.A O no hydrogen 2.948 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.747 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 2.896 N/A CYS 135.A N ALA 132.A O no hydrogen 3.161 N/A CYS 135.A SG ALA 131.A O no hydrogen 3.441 N/A LEU 136.A N LYS 144.A O no hydrogen 2.837 N/A VAL 137.A N GLY 87.A O no hydrogen 2.699 N/A GLY 138.A N LEU 142.A O no hydrogen 2.875 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.718 N/A HIS 141.A ND1 TYR 92.A OH no hydrogen 3.217 N/A LEU 142.A N GLU 139.A O no hydrogen 3.329 N/A VAL 143.A N GLN 112.A OE1 no hydrogen 2.943 N/A LYS 144.A N LEU 136.A O no hydrogen 2.924 N/A LYS 144.A NZ PRO 62.A O no hydrogen 3.129 N/A LYS 144.A NZ GLU 82.A OE1 no hydrogen 3.093 N/A LYS 144.A NZ GLU 82.A OE2 no hydrogen 2.650 N/A VAL 145.A N ASN 63.A O no hydrogen 2.952 N/A ALA 146.A N ASN 134.A O no hydrogen 2.872 N/A SER 151.A N ILE 126.A O no hydrogen 2.900 N/A LEU 153.A N ASN 124.A O no hydrogen 2.807 N/A THR 158.A OG1 ASP 157.A OD1 no hydrogen 3.081 N/A TYR 159.A N PHE 182.A O no hydrogen 2.918 N/A ALA 161.A N ASN 180.A O no hydrogen 3.116 N/A LYS 170.A NZ PRO 205.A O no hydrogen 3.167 N/A LYS 170.A NZ TYR 206.A O no hydrogen 2.921 N/A LYS 170.A NZ ILE 209.A O no hydrogen 3.456 N/A TRP 171.A N PRO 168.A O no hydrogen 2.891 N/A TRP 171.A NE1 GLU 197.A OE1 no hydrogen 2.764 N/A THR 172.A N ILE 169.A O no hydrogen 3.291 N/A THR 172.A OG1 PRO 168.A O no hydrogen 2.486 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.603 N/A SER 176.A N ALA 173.A O no hydrogen 3.023 N/A SER 176.A OG LYS 181.A O no hydrogen 2.597 N/A LEU 177.A N ALA 173.A O no hydrogen 2.958 N/A ALA 178.A N PRO 174.A O no hydrogen 2.919 N/A TYR 179.A N GLU 175.A O no hydrogen 2.916 N/A ASN 180.A N SER 176.A O no hydrogen 2.816 N/A PHE 182.A N TYR 159.A O no hydrogen 2.892 N/A SER 183.A N SER 186.A OG no hydrogen 2.970 N/A SER 183.A OG SER 186.A OG no hydrogen 3.410 N/A LYS 185.A NZ ARG 249.A O no hydrogen 2.836 N/A SER 186.A N SER 183.A OG no hydrogen 3.333 N/A SER 186.A OG GLU 175.A OE2 no hydrogen 3.109 N/A SER 186.A OG SER 176.A OG no hydrogen 3.208 N/A SER 186.A OG LYS 181.A O no hydrogen 3.537 N/A SER 186.A OG SER 183.A OG no hydrogen 3.410 N/A ASP 187.A N SER 183.A O no hydrogen 3.385 N/A VAL 188.A N ILE 184.A O no hydrogen 2.936 N/A TRP 189.A N LYS 185.A O no hydrogen 2.967 N/A ALA 190.A N SER 186.A O no hydrogen 2.957 N/A PHE 191.A N ASP 187.A O no hydrogen 2.875 N/A GLY 192.A N VAL 188.A O no hydrogen 2.942 N/A VAL 193.A N TRP 189.A O no hydrogen 3.018 N/A LEU 194.A N ALA 190.A O no hydrogen 2.883 N/A LEU 195.A N PHE 191.A O no hydrogen 2.869 N/A TRP 196.A N GLY 192.A O no hydrogen 2.990 N/A GLU 197.A N VAL 193.A O no hydrogen 2.926 N/A ILE 198.A N LEU 194.A O no hydrogen 2.912 N/A ALA 199.A N LEU 195.A O no hydrogen 2.925 N/A THR 200.A N TRP 196.A O no hydrogen 3.004 N/A THR 200.A OG1 TRP 196.A O no hydrogen 2.854 N/A THR 200.A OG1 GLU 197.A O no hydrogen 3.174 N/A TYR 201.A N ILE 198.A O no hydrogen 3.107 N/A TYR 201.A OH VAL 101.A O no hydrogen 2.765 N/A GLY 202.A N GLU 197.A O no hydrogen 2.644 N/A MET 203.A N THR 200.A OG1 no hydrogen 3.062 N/A ILE 209.A N TYR 206.A O no hydrogen 3.110 N/A SER 212.A OG ASP 210.A OD2 no hydrogen 2.644 N/A SER 212.A OG GLN 213.A OE1 no hydrogen 3.386 N/A GLN 213.A N ASP 210.A O no hydrogen 3.208 N/A VAL 214.A N LEU 211.A O no hydrogen 2.911 N/A LEU 217.A N GLN 213.A O no hydrogen 2.949 N/A LEU 218.A N VAL 214.A O no hydrogen 3.035 N/A GLU 219.A N TYR 215.A O no hydrogen 2.918 N/A LYS 220.A N GLU 216.A O no hydrogen 3.286 N/A LYS 220.A NZ GLU 216.A OE2 no hydrogen 2.862 N/A ASP 221.A N LEU 218.A O no hydrogen 3.081 N/A TYR 222.A N LEU 217.A O no hydrogen 2.759 N/A ARG 223.A NE TRP 242.A O no hydrogen 2.879 N/A ARG 223.A NH1 LEU 218.A O no hydrogen 2.958 N/A ARG 223.A NH1 TYR 222.A O no hydrogen 2.691 N/A ARG 223.A NH2 LEU 218.A O no hydrogen 3.517 N/A ARG 223.A NH2 TRP 242.A O no hydrogen 3.040 N/A ARG 226.A NE CYS 230.A O no hydrogen 2.560 N/A CYS 230.A N PRO 227.A O no hydrogen 3.163 N/A CYS 230.A SG PRO 231.A O no hydrogen 3.493 N/A LYS 233.A NZ GLU 265.A OE1 no hydrogen 3.563 N/A TYR 235.A N PRO 231.A O no hydrogen 3.097 N/A TYR 235.A OH MET 224.A O no hydrogen 2.658 N/A GLU 236.A N GLU 232.A O no hydrogen 2.885 N/A LEU 237.A N LYS 233.A O no hydrogen 2.931 N/A MET 238.A N VAL 234.A O no hydrogen 2.931 N/A ARG 239.A N TYR 235.A O no hydrogen 2.898 N/A ARG 239.A NH1 TYR 235.A OH no hydrogen 2.896 N/A ALA 240.A N GLU 236.A O no hydrogen 2.914 N/A CYS 241.A N LEU 237.A O no hydrogen 2.933 N/A CYS 241.A SG LEU 237.A O no hydrogen 3.246 N/A TRP 242.A N MET 238.A O no hydrogen 3.091 N/A TRP 242.A N ARG 239.A O no hydrogen 3.064 N/A ASP 248.A N ASN 245.A O no hydrogen 3.008 N/A ARG 249.A N PRO 246.A O no hydrogen 3.198 N/A ARG 249.A NE GLN 243.A O no hydrogen 2.752 N/A ARG 249.A NH1 GLU 175.A OE1 no hydrogen 3.555 N/A ARG 249.A NH1 GLU 175.A OE2 no hydrogen 2.617 N/A ARG 249.A NH1 LYS 185.A O no hydrogen 3.186 N/A ARG 249.A NH2 GLU 175.A OE1 no hydrogen 2.718 N/A ARG 249.A NH2 GLN 243.A O no hydrogen 3.266 N/A ARG 249.A NH2 TRP 244.A O no hydrogen 3.135 N/A SER 251.A N GLU 254.A OE1 no hydrogen 2.672 N/A SER 251.A OG GLU 254.A OE1 no hydrogen 3.191 N/A PHE 252.A N GLU 121.A OE2 no hydrogen 2.926 N/A ALA 253.A N GLU 121.A OE1 no hydrogen 3.195 N/A GLU 254.A N SER 251.A OG no hydrogen 3.231 N/A ILE 255.A N SER 251.A O no hydrogen 2.977 N/A HIS 256.A N PHE 252.A O no hydrogen 2.906 N/A HIS 256.A ND1 SER 114.A OG no hydrogen 3.231 N/A GLN 257.A N ALA 253.A O no hydrogen 2.921 N/A ALA 258.A N GLU 254.A O no hydrogen 2.909 N/A PHE 259.A N ILE 255.A O no hydrogen 2.943 N/A GLU 260.A N HIS 256.A O no hydrogen 2.878 N/A THR 261.A N GLN 257.A O no hydrogen 2.968 N/A THR 261.A OG1 ALA 258.A O no hydrogen 2.867 N/A MET 262.A N ALA 258.A O no hydrogen 2.950 N/A PHE 263.A N PHE 259.A O no hydrogen 2.912 N/A GLN 264.A N GLU 260.A O no hydrogen 2.959 N/A GLU 265.A N THR 261.A O no hydrogen 2.896 N/A SER 266.A N MET 262.A O no hydrogen 2.920 N/A SER 267.A N PHE 263.A O no hydrogen 2.884 N/A SER 267.A OG PHE 263.A O no hydrogen 2.950 N/A ILE 268.A N GLN 264.A O no hydrogen 2.935 N/A SER 269.A N GLU 265.A O no hydrogen 3.298 N/A