Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jbp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 7.A OD2 no hydrogen 2.763 N/A ASP 7.A N ALA 4.A O no hydrogen 2.958 N/A PHE 8.A N LEU 5.A O no hydrogen 3.286 N/A GLU 9.A N ARG 26.A O no hydrogen 2.726 N/A GLY 11.A N LEU 24.A O no hydrogen 2.731 N/A ARG 12.A NH1 PRO 13.A O no hydrogen 3.259 N/A LEU 14.A N VAL 22.A O no hydrogen 2.687 N/A GLY 15.A N VAL 22.A O no hydrogen 3.320 N/A GLY 17.A N GLY 20.A O no hydrogen 2.769 N/A VAL 22.A N GLY 15.A O no hydrogen 2.888 N/A TYR 23.A N LEU 36.A O no hydrogen 2.769 N/A LEU 24.A N ARG 12.A O no hydrogen 2.889 N/A ALA 25.A N LEU 34.A O no hydrogen 2.836 N/A ARG 26.A N GLU 9.A O no hydrogen 2.913 N/A ARG 26.A NE GLU 9.A OE1 no hydrogen 3.122 N/A ARG 26.A NH2 GLU 9.A OE1 no hydrogen 2.843 N/A GLU 27.A N PHE 32.A O no hydrogen 2.977 N/A LYS 28.A N ASP 7.A O no hydrogen 2.754 N/A LYS 28.A NZ GLU 6.A O no hydrogen 2.662 N/A GLN 29.A N GLU 27.A OE2 no hydrogen 2.760 N/A SER 30.A N GLU 27.A OE1 no hydrogen 2.741 N/A SER 30.A OG GLU 27.A OE1 no hydrogen 2.517 N/A LYS 31.A N GLU 27.A O no hydrogen 2.861 N/A PHE 32.A N SER 30.A OG no hydrogen 3.225 N/A LEU 34.A N ALA 25.A O no hydrogen 2.876 N/A ALA 35.A N LEU 85.A O no hydrogen 3.017 N/A LEU 36.A N TYR 23.A O no hydrogen 2.763 N/A LYS 37.A N LEU 83.A O no hydrogen 3.026 N/A VAL 38.A N ASN 21.A O no hydrogen 2.841 N/A LEU 39.A N VAL 81.A O no hydrogen 2.839 N/A LYS 41.A N THR 79.A O no hydrogen 2.912 N/A LYS 41.A NZ HIS 76.A ND1 no hydrogen 3.296 N/A LYS 41.A NZ ASP 77.A O no hydrogen 2.715 N/A GLN 43.A N PHE 40.A O no hydrogen 3.154 N/A LEU 44.A N PHE 40.A O no hydrogen 3.017 N/A GLU 45.A N LYS 41.A O no hydrogen 2.794 N/A LYS 46.A N ALA 42.A O no hydrogen 3.132 N/A LYS 46.A NZ ALA 42.A O no hydrogen 3.397 N/A ALA 47.A N GLN 43.A O no hydrogen 3.107 N/A GLY 48.A N GLU 45.A O no hydrogen 2.842 N/A VAL 49.A N LEU 44.A O no hydrogen 2.926 N/A LEU 53.A N GLU 50.A O no hydrogen 3.126 N/A ARG 54.A N GLU 50.A O no hydrogen 3.230 N/A ARG 55.A N HIS 51.A O no hydrogen 2.918 N/A GLU 56.A N GLN 52.A O no hydrogen 2.876 N/A VAL 57.A N LEU 53.A O no hydrogen 3.121 N/A GLU 58.A N ARG 54.A O no hydrogen 2.975 N/A ILE 59.A N ARG 55.A O no hydrogen 2.736 N/A GLN 60.A N GLU 56.A O no hydrogen 2.646 N/A GLN 60.A NE2 LEU 69.A O no hydrogen 2.658 N/A SER 61.A OG VAL 57.A O no hydrogen 3.225 N/A SER 61.A OG GLU 58.A O no hydrogen 3.033 N/A HIS 62.A N ILE 59.A O no hydrogen 2.855 N/A HIS 62.A ND1 GLU 58.A O no hydrogen 3.031 N/A ARG 64.A N TYR 121.A OH no hydrogen 2.844 N/A ARG 64.A NH1 SER 61.A O no hydrogen 2.938 N/A ARG 64.A NH1 LEU 63.A O no hydrogen 3.274 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 3.044 N/A ASN 67.A ND2 LEU 145.A O no hydrogen 2.840 N/A ILE 68.A N HIS 65.A O no hydrogen 3.100 N/A LEU 69.A N ILE 147.A O no hydrogen 2.849 N/A ARG 70.A N GLU 86.A OE1 no hydrogen 2.961 N/A TYR 72.A N ILE 84.A O no hydrogen 2.813 N/A PHE 75.A N TYR 82.A O no hydrogen 3.065 N/A ASP 77.A N ARG 80.A O no hydrogen 2.836 N/A THR 79.A N ASP 77.A OD1 no hydrogen 3.157 N/A ARG 80.A N ASP 77.A OD1 no hydrogen 2.675 N/A ARG 80.A NE TYR 82.A OH no hydrogen 3.067 N/A ARG 80.A NH2 TYR 82.A OH no hydrogen 3.496 N/A VAL 81.A N LEU 39.A O no hydrogen 2.948 N/A TYR 82.A N PHE 75.A O no hydrogen 2.822 N/A TYR 82.A OH ASP 77.A OD2 no hydrogen 2.891 N/A LEU 83.A N LYS 37.A O no hydrogen 2.993 N/A ILE 84.A N GLY 73.A O no hydrogen 2.960 N/A LEU 85.A N ALA 35.A O no hydrogen 2.853 N/A GLU 86.A N ARG 70.A O no hydrogen 2.898 N/A LEU 90.A N LEU 139.A O no hydrogen 2.952 N/A GLY 91.A N ALA 88.A O no hydrogen 3.120 N/A VAL 93.A N LEU 137.A O no hydrogen 2.752 N/A TYR 94.A N PRO 134.A O no hydrogen 3.235 N/A ARG 95.A N THR 92.A OG1 no hydrogen 2.954 N/A ARG 95.A NH1 GLN 98.A OE1 no hydrogen 3.454 N/A GLU 96.A N THR 92.A O no hydrogen 3.230 N/A LEU 97.A N VAL 93.A O no hydrogen 2.844 N/A GLN 98.A N TYR 94.A O no hydrogen 3.082 N/A LYS 99.A N ARG 95.A O no hydrogen 3.001 N/A LEU 100.A N GLU 96.A O no hydrogen 2.945 N/A SER 101.A N LEU 97.A O no hydrogen 2.572 N/A PHE 103.A N PHE 187.A O no hydrogen 2.756 N/A GLN 106.A NE2 ASN 251.A OD1 no hydrogen 2.862 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 2.698 N/A THR 108.A N ASP 104.A O no hydrogen 3.044 N/A THR 108.A OG1 ASP 104.A O no hydrogen 2.960 N/A ALA 109.A N GLU 105.A O no hydrogen 2.811 N/A THR 110.A N GLN 106.A O no hydrogen 3.042 N/A THR 110.A OG1 GLN 106.A O no hydrogen 2.563 N/A THR 110.A OG1 SER 253.A OG no hydrogen 2.917 N/A TYR 111.A N ARG 107.A O no hydrogen 2.917 N/A TYR 111.A OH GLU 96.A OE1 no hydrogen 2.566 N/A TYR 111.A OH GLU 96.A OE2 no hydrogen 3.138 N/A ILE 112.A N THR 108.A O no hydrogen 2.919 N/A THR 113.A N ALA 109.A O no hydrogen 2.977 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.885 N/A THR 113.A OG1 SER 252.A OG no hydrogen 2.859 N/A GLU 114.A N THR 110.A O no hydrogen 3.128 N/A LEU 115.A N TYR 111.A O no hydrogen 2.948 N/A ALA 116.A N ILE 112.A O no hydrogen 2.698 N/A ASN 117.A N THR 113.A O no hydrogen 2.807 N/A ALA 118.A N GLU 114.A O no hydrogen 2.901 N/A LEU 119.A N LEU 115.A O no hydrogen 2.757 N/A SER 120.A N ALA 116.A O no hydrogen 2.921 N/A TYR 121.A N ASN 117.A O no hydrogen 3.135 N/A CYS 122.A N ALA 118.A O no hydrogen 3.136 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.339 N/A HIS 123.A N LEU 119.A O no hydrogen 2.802 N/A HIS 123.A NE2 ASP 176.A OD2 no hydrogen 2.628 N/A SER 124.A N SER 120.A O no hydrogen 2.928 N/A SER 124.A OG TYR 121.A O no hydrogen 2.824 N/A LYS 125.A N TYR 121.A O no hydrogen 3.015 N/A ARG 126.A N HIS 123.A O no hydrogen 3.055 N/A VAL 127.A N CYS 122.A O no hydrogen 2.687 N/A ILE 128.A N VAL 154.A O no hydrogen 3.517 N/A HIS 129.A N ASP 176.A OD2 no hydrogen 3.279 N/A HIS 129.A NE2 ALA 148.A O no hydrogen 3.103 N/A ARG 130.A N ASP 176.A OD1 no hydrogen 3.242 N/A ARG 130.A NE HIS 171.A NE2 no hydrogen 3.070 N/A ARG 130.A NH1 TRP 152.A O no hydrogen 2.658 N/A ARG 130.A NH2 HIS 171.A NE2 no hydrogen 3.429 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.042 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.779 N/A ASN 136.A N LYS 133.A O no hydrogen 2.959 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 3.155 N/A LEU 137.A N PRO 134.A O no hydrogen 3.181 N/A LEU 138.A N LYS 146.A O no hydrogen 2.833 N/A LEU 139.A N GLY 91.A O no hydrogen 2.778 N/A GLY 140.A N GLU 144.A O no hydrogen 2.778 N/A GLY 143.A N GLY 140.A O no hydrogen 2.525 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.650 N/A LEU 145.A N GLU 114.A OE1 no hydrogen 2.824 N/A LYS 146.A N LEU 138.A O no hydrogen 2.560 N/A LYS 146.A NZ PRO 66.A O no hydrogen 2.873 N/A LYS 146.A NZ GLU 86.A OE2 no hydrogen 3.031 N/A ILE 147.A N ASN 67.A O no hydrogen 2.923 N/A ALA 148.A N ASN 136.A O no hydrogen 2.763 N/A PHE 150.A N GLU 56.A OE2 no hydrogen 3.164 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 2.707 N/A SER 153.A N PHE 150.A O no hydrogen 3.408 N/A SER 153.A OG HIS 129.A O no hydrogen 3.536 N/A SER 153.A OG PHE 150.A O no hydrogen 3.248 N/A THR 157.A OG1 ASP 159.A OD2 no hydrogen 2.937 N/A TYR 160.A OH GLU 186.A OE1 no hydrogen 2.605 N/A TYR 160.A OH GLU 186.A OE2 no hydrogen 3.208 N/A LEU 161.A N LEU 158.A O no hydrogen 2.872 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.859 N/A MET 165.A N PRO 162.A O no hydrogen 2.967 N/A ILE 166.A N PRO 162.A O no hydrogen 3.187 N/A GLU 167.A N PRO 163.A O no hydrogen 2.657 N/A ARG 169.A N GLU 164.A O no hydrogen 2.698 N/A HIS 171.A ND1 ARG 169.A O no hydrogen 3.141 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.701 N/A LYS 174.A N ASP 172.A OD1 no hydrogen 2.826 N/A LYS 174.A NZ ARG 236.A O no hydrogen 2.445 N/A VAL 175.A N ASP 172.A O no hydrogen 3.251 N/A ASP 176.A N GLU 173.A O no hydrogen 3.347 N/A LEU 177.A N LYS 174.A O no hydrogen 3.120 N/A TRP 178.A N LYS 174.A O no hydrogen 3.303 N/A SER 179.A N VAL 175.A O no hydrogen 3.143 N/A SER 179.A OG TYR 160.A O no hydrogen 3.434 N/A LEU 180.A N ASP 176.A O no hydrogen 3.061 N/A GLY 181.A N LEU 177.A O no hydrogen 3.098 N/A VAL 182.A N TRP 178.A O no hydrogen 2.959 N/A LEU 183.A N SER 179.A O no hydrogen 2.976 N/A CYS 184.A N LEU 180.A O no hydrogen 2.815 N/A TYR 185.A N GLY 181.A O no hydrogen 3.152 N/A TYR 185.A OH THR 212.A O no hydrogen 2.613 N/A GLU 186.A N VAL 182.A O no hydrogen 2.999 N/A PHE 187.A N LEU 183.A O no hydrogen 2.771 N/A LEU 188.A N CYS 184.A O no hydrogen 3.350 N/A VAL 189.A N TYR 185.A O no hydrogen 2.862 N/A GLY 190.A N GLU 186.A O no hydrogen 2.642 N/A GLU 195.A N PRO 192.A O no hydrogen 3.196 N/A GLN 200.A N GLN 200.A OE1 no hydrogen 2.756 N/A GLU 201.A N THR 198.A OG1 no hydrogen 3.019 N/A THR 202.A N THR 198.A O no hydrogen 3.059 N/A THR 202.A OG1 PHE 194.A O no hydrogen 3.518 N/A THR 202.A OG1 THR 198.A O no hydrogen 3.152 N/A TYR 203.A N TYR 199.A O no hydrogen 2.931 N/A LYS 204.A N GLN 200.A O no hydrogen 3.130 N/A LYS 204.A NZ GLU 201.A OE1 no hydrogen 3.303 N/A ARG 205.A N GLU 201.A O no hydrogen 2.977 N/A ARG 205.A NE GLU 201.A OE2 no hydrogen 2.785 N/A ARG 205.A NH1 GLU 195.A O no hydrogen 3.544 N/A ILE 206.A N THR 202.A O no hydrogen 2.878 N/A SER 207.A N TYR 203.A O no hydrogen 2.867 N/A SER 207.A OG GLU 167.A OE2 no hydrogen 2.719 N/A ARG 208.A N LYS 204.A O no hydrogen 3.025 N/A ARG 208.A NH1 GLU 210.A OE1 no hydrogen 3.079 N/A VAL 209.A N ILE 206.A O no hydrogen 2.967 N/A GLU 210.A N ARG 205.A O no hydrogen 2.893 N/A VAL 217.A N PRO 214.A O no hydrogen 2.975 N/A THR 218.A OG1 GLU 105.A OE2 no hydrogen 2.515 N/A ARG 222.A N THR 218.A O no hydrogen 3.073 N/A ARG 222.A NE VAL 217.A O no hydrogen 2.683 N/A ARG 222.A NH2 VAL 217.A O no hydrogen 3.353 N/A ASP 223.A N GLU 219.A O no hydrogen 2.951 N/A LEU 224.A N GLY 220.A O no hydrogen 3.095 N/A ILE 225.A N ALA 221.A O no hydrogen 2.844 N/A SER 226.A N ARG 222.A O no hydrogen 3.030 N/A SER 226.A OG ARG 222.A O no hydrogen 2.926 N/A ARG 227.A N ASP 223.A O no hydrogen 3.133 N/A ARG 227.A NE ASP 223.A OD1 no hydrogen 3.309 N/A ARG 227.A NE ASP 223.A OD2 no hydrogen 2.880 N/A ARG 227.A NH2 ASP 223.A OD1 no hydrogen 3.245 N/A LEU 228.A N LEU 224.A O no hydrogen 3.089 N/A LEU 229.A N ILE 225.A O no hydrogen 2.904 N/A HIS 231.A NE2 GLU 167.A OE2 no hydrogen 2.905 N/A SER 234.A N ASN 232.A OD1 no hydrogen 3.172 N/A SER 234.A OG ASN 232.A OD1 no hydrogen 2.533 N/A GLN 235.A N ASN 232.A O no hydrogen 3.159 N/A ARG 236.A N PRO 233.A O no hydrogen 2.987 N/A ARG 236.A NE LYS 230.A O no hydrogen 2.835 N/A ARG 236.A NH1 GLU 164.A OE2 no hydrogen 2.872 N/A ARG 236.A NH1 LYS 174.A O no hydrogen 3.003 N/A ARG 236.A NH2 GLU 164.A OE1 no hydrogen 2.944 N/A ARG 236.A NH2 LYS 230.A O no hydrogen 2.959 N/A MET 238.A N GLU 241.A OE1 no hydrogen 2.929 N/A GLU 241.A N MET 238.A O no hydrogen 3.079 N/A VAL 242.A N MET 238.A O no hydrogen 3.181 N/A LEU 243.A N LEU 239.A O no hydrogen 3.129 N/A GLU 244.A N GLU 241.A O no hydrogen 3.277 N/A HIS 245.A N VAL 242.A O no hydrogen 3.064 N/A HIS 245.A NE2 ASP 223.A OD2 no hydrogen 2.526 N/A TRP 247.A N HIS 245.A ND1 no hydrogen 3.208 N/A TRP 247.A NE1 GLU 105.A OE2 no hydrogen 2.791 N/A THR 249.A N HIS 245.A O no hydrogen 2.921 N/A THR 249.A OG1 HIS 245.A O no hydrogen 3.295 N/A THR 249.A OG1 PRO 246.A O no hydrogen 3.042 N/A ALA 250.A N PRO 246.A O no hydrogen 2.708 N/A ASN 251.A N TRP 247.A O no hydrogen 3.229 N/A ASN 251.A ND2 TRP 247.A O no hydrogen 2.953 N/A SER 252.A N ILE 248.A O no hydrogen 2.800 N/A SER 252.A OG THR 113.A OG1 no hydrogen 2.859 N/A SER 252.A OG LYS 254.A O no hydrogen 2.848 N/A SER 253.A N THR 110.A OG1 no hydrogen 3.139 N/A SER 253.A OG THR 110.A OG1 no hydrogen 2.917 N/A LYS 254.A N SER 252.A OG no hydrogen 3.259 N/A