Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gk4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 7.A OE1 no hydrogen 2.453 N/A PHE 4.A N VAL 1.A O no hydrogen 3.427 N/A LEU 8.A N VAL 80.A O no hydrogen 2.744 N/A THR 11.A OG1 ASP 9.A OD2 no hydrogen 2.828 N/A ASN 12.A N ASP 9.A O no hydrogen 2.951 N/A ILE 13.A N ALA 10.A O no hydrogen 3.020 N/A SER 14.A N ARG 31.A O no hydrogen 2.964 N/A SER 14.A OG ASP 16.A OD2 no hydrogen 3.109 N/A ASP 16.A N SER 29.A O no hydrogen 2.894 N/A LYS 17.A NZ SER 29.A OG no hydrogen 2.945 N/A VAL 19.A N VAL 27.A O no hydrogen 2.724 N/A GLY 20.A N VAL 27.A O no hydrogen 2.939 N/A GLY 22.A N GLY 25.A O no hydrogen 2.875 N/A VAL 27.A N GLY 20.A O no hydrogen 2.563 N/A CYS 28.A N ILE 44.A O no hydrogen 2.723 N/A SER 29.A N LYS 17.A O no hydrogen 2.768 N/A GLY 30.A N VAL 42.A O no hydrogen 2.967 N/A ARG 31.A N SER 14.A O no hydrogen 2.942 N/A ARG 31.A NH2 GLU 39.A OE1 no hydrogen 2.651 N/A LEU 32.A N ILE 40.A O no hydrogen 2.861 N/A LYS 33.A N ASN 12.A O no hydrogen 2.880 N/A LYS 33.A NZ LYS 37.A O no hydrogen 2.837 N/A LYS 33.A NZ GLU 39.A OE2 no hydrogen 2.922 N/A LEU 34.A N LYS 38.A O no hydrogen 2.833 N/A LYS 37.A N LEU 34.A O no hydrogen 2.729 N/A ILE 40.A N LEU 32.A O no hydrogen 2.961 N/A VAL 42.A N GLY 30.A O no hydrogen 2.884 N/A ALA 43.A N THR 91.A O no hydrogen 2.957 N/A ILE 44.A N CYS 28.A O no hydrogen 2.836 N/A LYS 45.A N ILE 89.A O no hydrogen 2.817 N/A LYS 45.A NZ GLU 62.A OE1 no hydrogen 3.150 N/A THR 46.A N GLU 26.A O no hydrogen 2.938 N/A THR 46.A OG1 GLU 26.A O no hydrogen 3.285 N/A LEU 47.A N VAL 87.A O no hydrogen 2.923 N/A LYS 48.A N PHE 24.A O no hydrogen 2.754 N/A TYR 51.A N LYS 48.A O no hydrogen 3.319 N/A THR 52.A N GLN 55.A OE1 no hydrogen 2.490 N/A THR 52.A OG1 GLN 55.A OE1 no hydrogen 3.224 N/A LYS 54.A NZ ASP 58.A OD2 no hydrogen 3.034 N/A GLN 55.A N THR 52.A OG1 no hydrogen 3.168 N/A ARG 56.A N THR 52.A O no hydrogen 3.211 N/A ARG 57.A N GLU 53.A O no hydrogen 3.191 N/A ARG 57.A N LYS 54.A O no hydrogen 2.758 N/A ASP 58.A N LYS 54.A O no hydrogen 3.027 N/A PHE 59.A N GLN 55.A O no hydrogen 2.781 N/A LEU 60.A N ARG 56.A O no hydrogen 3.086 N/A GLY 61.A N ARG 57.A O no hydrogen 2.801 N/A GLU 62.A N ASP 58.A O no hydrogen 3.452 N/A SER 64.A N LEU 60.A O no hydrogen 3.073 N/A SER 64.A OG.A LEU 60.A O no hydrogen 3.441 N/A ILE 65.A N GLY 61.A O no hydrogen 3.236 N/A MET 66.A N GLU 62.A O no hydrogen 2.902 N/A GLY 67.A N ALA 63.A O no hydrogen 2.780 N/A GLN 68.A N ILE 65.A O no hydrogen 2.883 N/A GLN 68.A NE2 SER 64.A O no hydrogen 3.321 N/A PHE 69.A N MET 66.A O no hydrogen 3.091 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 2.949 N/A ASN 73.A ND2 CYS 152.A O no hydrogen 2.919 N/A ILE 74.A N HIS 71.A O no hydrogen 3.244 N/A ILE 75.A N VAL 154.A O no hydrogen 2.987 N/A ARG 76.A N GLU 92.A OE2 no hydrogen 2.858 N/A ARG 76.A NE GLU 78.A OE2 no hydrogen 3.155 N/A GLU 78.A N VAL 90.A O no hydrogen 2.674 N/A GLY 79.A N VAL 90.A O no hydrogen 3.305 N/A VAL 80.A N LYS 6.A O no hydrogen 2.935 N/A VAL 81.A N MET 88.A O no hydrogen 2.930 N/A THR 82.A N GLU 7.A OE2 no hydrogen 2.894 N/A THR 82.A OG1 GLU 7.A OE1 no hydrogen 2.705 N/A THR 82.A OG1 GLU 7.A OE2 no hydrogen 3.495 N/A LYS 83.A N GLU 7.A OE2 no hydrogen 2.959 N/A LYS 85.A NZ TYR 51.A OH no hydrogen 2.486 N/A MET 88.A N VAL 81.A O no hydrogen 2.898 N/A ILE 89.A N LYS 45.A O no hydrogen 2.860 N/A VAL 90.A N GLY 79.A O no hydrogen 2.947 N/A THR 91.A N ALA 43.A O no hydrogen 2.936 N/A THR 91.A OG1 ALA 43.A O no hydrogen 3.507 N/A THR 91.A OG1 GLU 92.A O no hydrogen 3.308 N/A GLU 92.A N ARG 76.A O no hydrogen 2.973 N/A ASN 96.A N ILE 146.A O no hydrogen 2.923 N/A ASN 96.A ND2 ASN 147.A O no hydrogen 2.852 N/A GLY 97.A N MET 94.A O no hydrogen 3.243 N/A SER 98.A OG ARG 142.A O no hydrogen 3.542 N/A LEU 99.A N ILE 144.A O no hydrogen 2.840 N/A SER 101.A OG SER 98.A O no hydrogen 3.312 N/A PHE 102.A N SER 98.A O no hydrogen 2.950 N/A LEU 103.A N LEU 99.A O no hydrogen 2.848 N/A ARG 104.A N ASP 100.A O no hydrogen 3.106 N/A ARG 104.A NH1 GLY 200.A O no hydrogen 2.584 N/A ARG 104.A NH2 ASP 100.A OD2 no hydrogen 2.634 N/A LYS 105.A N PHE 102.A O no hydrogen 3.169 N/A HIS 106.A N LEU 103.A O no hydrogen 3.012 N/A HIS 106.A ND1 GLN 109.A OE1 no hydrogen 2.866 N/A GLN 109.A N HIS 106.A O no hydrogen 2.769 N/A GLN 109.A NE2 LYS 105.A O no hydrogen 3.572 N/A PHE 110.A N TYR 199.A OH no hydrogen 3.045 N/A THR 111.A N GLN 114.A OE1 no hydrogen 2.917 N/A THR 111.A OG1 GLN 114.A OE1 no hydrogen 3.491 N/A GLN 114.A N THR 111.A OG1 no hydrogen 3.093 N/A LEU 115.A N THR 111.A O no hydrogen 3.053 N/A VAL 116.A N VAL 112.A O no hydrogen 2.858 N/A GLY 117.A N ILE 113.A O no hydrogen 2.859 N/A MET 118.A N GLN 114.A O no hydrogen 3.210 N/A LEU 119.A N LEU 115.A O no hydrogen 3.038 N/A ARG 120.A N VAL 116.A O no hydrogen 2.843 N/A ARG 120.A NE ASP 258.A OD1 no hydrogen 2.844 N/A ARG 120.A NH2 ASP 258.A OD2 no hydrogen 3.379 N/A GLY 121.A N GLY 117.A O no hydrogen 3.170 N/A ILE 122.A N MET 118.A O no hydrogen 3.235 N/A ALA 123.A N LEU 119.A O no hydrogen 3.070 N/A SER 124.A N ARG 120.A O no hydrogen 2.865 N/A SER 124.A OG.B ARG 120.A O no hydrogen 3.078 N/A GLY 125.A N GLY 121.A O no hydrogen 2.976 N/A MET 126.A N ILE 122.A O no hydrogen 2.882 N/A LYS 127.A N ALA 123.A O no hydrogen 2.754 N/A LYS 127.A NZ ASP 131.A OD1 no hydrogen 3.467 N/A LYS 127.A NZ ASP 131.A OD2 no hydrogen 2.698 N/A TYR 128.A N SER 124.A O no hydrogen 3.134 N/A LEU 129.A N GLY 125.A O no hydrogen 2.954 N/A SER 130.A N MET 126.A O no hydrogen 2.858 N/A SER 130.A OG MET 126.A O no hydrogen 2.832 N/A SER 130.A OG LYS 127.A O no hydrogen 2.916 N/A ASP 131.A N LYS 127.A O no hydrogen 2.865 N/A MET 132.A N TYR 128.A O no hydrogen 2.992 N/A MET 132.A N LEU 129.A O no hydrogen 3.122 N/A GLY 133.A N SER 130.A O no hydrogen 3.160 N/A TYR 134.A N LEU 129.A O no hydrogen 3.360 N/A VAL 135.A N ARG 161.A O no hydrogen 2.924 N/A HIS 136.A N ASP 185.A OD2 no hydrogen 2.862 N/A HIS 136.A NE2 SER 155.A O no hydrogen 2.877 N/A ARG 137.A N ASP 185.A OD1 no hydrogen 3.103 N/A ARG 137.A NE.A LEU 159.A O no hydrogen 2.815 N/A ARG 137.A NH1.B LEU 159.A O no hydrogen 2.552 N/A ARG 137.A NH2.A LEU 159.A O no hydrogen 3.090 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 2.948 N/A ALA 141.A N GLU 195.A OE2 no hydrogen 2.950 N/A ASN 143.A N ALA 140.A O no hydrogen 2.808 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.809 N/A ILE 144.A N ALA 141.A O no hydrogen 3.127 N/A LEU 145.A N LYS 153.A O no hydrogen 2.982 N/A ILE 146.A N GLY 97.A O no hydrogen 2.864 N/A ASN 147.A N VAL 151.A O no hydrogen 2.924 N/A ASN 149.A N ASN 147.A OD1 no hydrogen 2.936 N/A LEU 150.A N ASN 147.A O no hydrogen 2.942 N/A VAL 151.A N ASN 147.A OD1 no hydrogen 2.883 N/A CYS 152.A SG LEU 150.A O no hydrogen 3.873 N/A LYS 153.A N LEU 145.A O no hydrogen 2.829 N/A LYS 153.A NZ GLU 92.A OE1 no hydrogen 2.847 N/A LYS 153.A NZ GLU 92.A OE2 no hydrogen 3.255 N/A VAL 154.A N ASN 73.A O no hydrogen 2.889 N/A SER 155.A N ASN 143.A O no hydrogen 2.998 N/A SER 155.A OG.A ASN 143.A O no hydrogen 2.718 N/A SER 155.A OG.B ASN 143.A O no hydrogen 2.681 N/A PHE 157.A N GLU 62.A OE2 no hydrogen 2.771 N/A GLY 158.A N ASP 156.A OD2 no hydrogen 3.193 N/A SER 160.A N PHE 157.A O no hydrogen 3.113 N/A SER 160.A OG VAL 135.A O no hydrogen 3.230 N/A ARG 161.A N VAL 135.A O no hydrogen 3.062 N/A LEU 163.A N GLY 133.A O no hydrogen 2.781 N/A ARG 168.A NE PRO 203.A O no hydrogen 2.833 N/A ARG 168.A NE TRP 205.A O no hydrogen 3.344 N/A ARG 168.A NH2 TYR 204.A O no hydrogen 3.544 N/A ARG 168.A NH2 TRP 205.A O no hydrogen 3.085 N/A ARG 168.A NH2 MET 207.A O no hydrogen 2.535 N/A TRP 169.A N PRO 166.A O no hydrogen 3.118 N/A TRP 169.A NE1 GLU 195.A OE2 no hydrogen 2.855 N/A THR 170.A N ILE 167.A O no hydrogen 3.262 N/A THR 170.A OG1 PRO 166.A O no hydrogen 2.608 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.815 N/A ALA 174.A N SER 171.A OG no hydrogen 3.368 N/A ILE 175.A N SER 171.A O no hydrogen 2.906 N/A ALA 176.A N PRO 172.A O no hydrogen 2.829 N/A TYR 177.A N GLU 173.A O no hydrogen 3.095 N/A ARG 178.A N ALA 174.A O no hydrogen 2.908 N/A LYS 179.A N GLU 173.A O no hydrogen 3.369 N/A THR 181.A N SER 184.A OG no hydrogen 2.824 N/A ALA 183.A N THR 181.A OG1 no hydrogen 3.032 N/A SER 184.A N THR 181.A O no hydrogen 3.001 N/A SER 184.A N THR 181.A OG1 no hydrogen 3.256 N/A SER 184.A OG THR 181.A O no hydrogen 2.596 N/A ASP 185.A N THR 181.A O no hydrogen 3.327 N/A VAL 186.A N SER 182.A O no hydrogen 2.961 N/A TRP 187.A N ALA 183.A O no hydrogen 3.196 N/A SER 188.A N SER 184.A O no hydrogen 3.181 N/A SER 188.A OG TRP 169.A O no hydrogen 2.606 N/A SER 188.A OG SER 184.A O no hydrogen 3.317 N/A TYR 189.A N ASP 185.A O no hydrogen 2.814 N/A TYR 189.A OH LEU 119.A O no hydrogen 2.778 N/A GLY 190.A N VAL 186.A O no hydrogen 2.980 N/A ILE 191.A N TRP 187.A O no hydrogen 3.148 N/A VAL 192.A N SER 188.A O no hydrogen 2.818 N/A LEU 193.A N TYR 189.A O no hydrogen 2.761 N/A TRP 194.A N GLY 190.A O no hydrogen 3.059 N/A TRP 194.A NE1 PRO 223.A O no hydrogen 2.833 N/A GLU 195.A N ILE 191.A O no hydrogen 2.834 N/A VAL 196.A N VAL 192.A O no hydrogen 2.843 N/A MET 197.A N LEU 193.A O no hydrogen 3.068 N/A SER 198.A N TRP 194.A O no hydrogen 2.942 N/A SER 198.A N GLU 195.A O no hydrogen 3.233 N/A SER 198.A OG TRP 194.A O no hydrogen 2.883 N/A TYR 199.A N VAL 196.A O no hydrogen 2.772 N/A GLY 200.A N GLU 195.A O no hydrogen 2.777 N/A GLU 201.A N SER 198.A O no hydrogen 3.392 N/A ARG 202.A NE TRP 205.A O no hydrogen 3.022 N/A TRP 205.A N ARG 202.A O no hydrogen 2.948 N/A MET 207.A N TYR 204.A O no hydrogen 3.020 N/A SER 208.A OG ASP 211.A OD2 no hydrogen 2.759 N/A VAL 212.A N SER 208.A O no hydrogen 3.042 N/A ILE 213.A N ASN 209.A O no hydrogen 3.000 N/A LYS 214.A N GLN 210.A O no hydrogen 3.086 N/A ALA 215.A N ASP 211.A O no hydrogen 2.821 N/A VAL 216.A N VAL 212.A O no hydrogen 3.110 N/A ASP 217.A N ILE 213.A O no hydrogen 3.151 N/A GLU 218.A N LYS 214.A O no hydrogen 2.879 N/A GLY 219.A N VAL 216.A O no hydrogen 2.860 N/A TYR 220.A N ALA 215.A O no hydrogen 2.998 N/A ARG 221.A N LEU 274.A O no hydrogen 2.753 N/A ARG 221.A NE TRP 240.A O no hydrogen 3.109 N/A ARG 221.A NH1 VAL 216.A O no hydrogen 2.910 N/A ARG 221.A NH1 TYR 220.A O no hydrogen 2.916 N/A ARG 221.A NH2 TRP 240.A O no hydrogen 2.927 N/A CYS 228.A N PRO 225.A O no hydrogen 3.027 N/A CYS 228.A SG PRO 229.A O no hydrogen 3.508 N/A ALA 230.A N ILE 269.A O no hydrogen 2.829 N/A LEU 232.A N PRO 229.A O no hydrogen 2.933 N/A TYR 233.A N PRO 229.A O no hydrogen 3.097 N/A TYR 233.A OH LEU 222.A O no hydrogen 2.752 N/A GLN 234.A N ALA 230.A O no hydrogen 2.912 N/A GLN 234.A NE2 ASP 238.A OD1 no hydrogen 2.901 N/A LEU 235.A N ALA 231.A O no hydrogen 3.208 N/A MET 236.A N LEU 232.A O no hydrogen 3.087 N/A LEU 237.A N TYR 233.A O no hydrogen 3.046 N/A ASP 238.A N GLN 234.A O no hydrogen 2.858 N/A CYS 239.A N LEU 235.A O no hydrogen 2.930 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.381 N/A TRP 240.A N MET 236.A O no hydrogen 2.873 N/A TRP 240.A N LEU 237.A O no hydrogen 3.227 N/A GLN 241.A N ASP 238.A O no hydrogen 3.315 N/A LYS 242.A NZ ASP 217.A O no hydrogen 2.883 N/A ASN 245.A N ASP 243.A OD1 no hydrogen 2.951 N/A ASN 246.A N ASP 243.A O no hydrogen 2.827 N/A ARG 247.A N ARG 244.A O no hydrogen 3.194 N/A ARG 247.A NE GLN 241.A O no hydrogen 2.880 N/A ARG 247.A NH1 GLU 173.A OE2 no hydrogen 2.948 N/A ARG 247.A NH1 ALA 183.A O no hydrogen 2.936 N/A ARG 247.A NH2 GLU 173.A OE1 no hydrogen 3.065 N/A ARG 247.A NH2 GLN 241.A O no hydrogen 2.929 N/A LYS 249.A N GLN 252.A OE1 no hydrogen 2.774 N/A ILE 253.A N LYS 249.A O no hydrogen 3.043 N/A VAL 254.A N PHE 250.A O no hydrogen 2.852 N/A SER 255.A N GLU 251.A O no hydrogen 3.071 N/A SER 255.A OG GLU 251.A O no hydrogen 3.060 N/A ILE 256.A N GLN 252.A O no hydrogen 2.846 N/A LEU 257.A N ILE 253.A O no hydrogen 3.006 N/A ASP 258.A N VAL 254.A O no hydrogen 2.877 N/A LYS 259.A N SER 255.A O no hydrogen 3.205 N/A LEU 260.A N ILE 256.A O no hydrogen 3.205 N/A ILE 261.A N LEU 257.A O no hydrogen 2.963 N/A ARG 262.A N LYS 259.A O no hydrogen 2.955 N/A ASN 263.A N LYS 259.A O no hydrogen 3.309 N/A ASN 263.A ND2 SER 266.A OG no hydrogen 2.104 N/A SER 266.A N ASN 263.A O no hydrogen 2.918 N/A SER 266.A OG ASN 263.A O no hydrogen 2.698 N/A LEU 267.A N PRO 264.A O no hydrogen 3.268 N/A THR 271.A N CYS 228.A O no hydrogen 3.066 N/A THR 271.A OG1 CYS 228.A O no hydrogen 3.294 N/A LEU 274.A N ARG 221.A O no hydrogen 2.738 N/A