Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u41_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 7.A N ASP 5.A OD2 no hydrogen 2.852 N/A ILE 9.A N PRO 6.A O no hydrogen 2.679 N/A PHE 10.A N PRO 6.A O no hydrogen 3.026 N/A GLU 11.A N ARG 28.A O no hydrogen 3.049 N/A VAL 13.A N LYS 26.A O no hydrogen 2.858 N/A GLU 14.A N LYS 26.A O no hydrogen 3.212 N/A VAL 16.A N VAL 24.A O no hydrogen 2.713 N/A TYR 21.A OH GLN 133.A O no hydrogen 2.636 N/A VAL 24.A N GLY 22.A O no hydrogen 2.541 N/A TYR 25.A N ILE 38.A O no hydrogen 2.680 N/A LYS 26.A N GLU 14.A O no hydrogen 2.866 N/A GLY 27.A N ALA 36.A O no hydrogen 2.626 N/A ARG 28.A N GLU 11.A O no hydrogen 2.906 N/A ARG 28.A NE GLU 11.A OE2 no hydrogen 2.940 N/A ARG 28.A NH2 GLU 11.A OE2 no hydrogen 3.223 N/A HIS 29.A N GLN 34.A O no hydrogen 2.744 N/A HIS 29.A ND1 THR 32.A OG1 no hydrogen 2.709 N/A VAL 30.A N ILE 9.A O no hydrogen 2.850 N/A LYS 31.A NZ GLY 8.A O no hydrogen 2.654 N/A THR 32.A N HIS 29.A O no hydrogen 3.300 N/A THR 32.A OG1 HIS 29.A ND1 no hydrogen 2.709 N/A GLY 33.A N HIS 29.A O no hydrogen 2.714 N/A GLN 34.A N THR 32.A OG1 no hydrogen 3.210 N/A ALA 36.A N GLY 27.A O no hydrogen 2.900 N/A ALA 37.A N MET 81.A O no hydrogen 2.782 N/A ILE 38.A N TYR 25.A O no hydrogen 2.777 N/A LYS 39.A N LEU 79.A O no hydrogen 2.880 N/A VAL 40.A N GLN 23.A O no hydrogen 3.052 N/A VAL 43.A N ASP 75.A O no hydrogen 2.974 N/A LEU 48.A N GLU 45.A O no hydrogen 2.981 N/A GLU 49.A N GLU 45.A O no hydrogen 3.371 N/A ILE 50.A N ILE 46.A O no hydrogen 2.941 N/A ASN 51.A N LYS 47.A O no hydrogen 3.164 N/A MET 52.A N LEU 48.A O no hydrogen 3.008 N/A MET 52.A N GLU 49.A O no hydrogen 2.614 N/A LEU 53.A N GLU 49.A O no hydrogen 2.833 N/A LYS 54.A N ILE 50.A O no hydrogen 2.653 N/A LYS 55.A N ASN 51.A O no hydrogen 3.106 N/A TYR 56.A N MET 52.A O no hydrogen 3.403 N/A SER 57.A OG LEU 53.A O no hydrogen 2.920 N/A SER 57.A OG LYS 54.A O no hydrogen 3.366 N/A ARG 60.A NH1 GLU 112.A OE2 no hydrogen 3.568 N/A ARG 60.A NH2 GLU 112.A OE2 no hydrogen 3.077 N/A ASN 61.A ND2 HIS 59.A NE2 no hydrogen 3.267 N/A ILE 62.A N HIS 59.A O no hydrogen 2.865 N/A ALA 63.A N LEU 145.A O no hydrogen 3.077 N/A THR 64.A N GLU 82.A OE1 no hydrogen 3.046 N/A THR 64.A OG1 SER 57.A O no hydrogen 3.414 N/A THR 64.A OG1 GLU 82.A OE1 no hydrogen 3.544 N/A TYR 65.A N SER 57.A OG no hydrogen 2.908 N/A TYR 66.A N VAL 80.A O no hydrogen 2.709 N/A GLY 67.A N VAL 80.A O no hydrogen 3.326 N/A PHE 69.A N TRP 78.A O no hydrogen 2.938 N/A ILE 70.A N ARG 4.A O no hydrogen 2.738 N/A LYS 71.A N GLN 76.A O no hydrogen 2.647 N/A LYS 71.A NZ ASP 5.A OD1 no hydrogen 3.267 N/A LYS 71.A NZ ASP 5.A OD2 no hydrogen 2.881 N/A LYS 72.A NZ ASP 75.A OD2 no hydrogen 3.070 N/A SER 73.A N ASP 75.A OD1 no hydrogen 2.980 N/A SER 73.A OG ASP 75.A OD1 no hydrogen 3.136 N/A GLN 76.A N LYS 71.A O no hydrogen 2.881 N/A LEU 77.A N MET 41.A O no hydrogen 2.742 N/A TRP 78.A N PHE 69.A O no hydrogen 2.674 N/A TRP 78.A NE1 GLN 76.A OE1 no hydrogen 3.268 N/A LEU 79.A N LYS 39.A O no hydrogen 2.874 N/A VAL 80.A N GLY 67.A O no hydrogen 2.993 N/A MET 81.A N ALA 37.A O no hydrogen 2.994 N/A GLU 82.A N THR 64.A O no hydrogen 2.831 N/A ALA 86.A N LEU 137.A O no hydrogen 2.939 N/A SER 88.A N ASP 91.A OD2 no hydrogen 3.131 N/A ILE 89.A N VAL 135.A O no hydrogen 2.734 N/A THR 90.A N GLY 132.A O no hydrogen 3.464 N/A THR 90.A OG1 GLU 190.A OE2 no hydrogen 2.598 N/A ASP 91.A N SER 88.A OG no hydrogen 2.908 N/A LEU 92.A N SER 88.A O no hydrogen 2.960 N/A VAL 93.A N ILE 89.A O no hydrogen 3.147 N/A LYS 94.A N THR 90.A O no hydrogen 3.134 N/A ASN 95.A N ASP 91.A O no hydrogen 2.904 N/A ASN 95.A N LEU 92.A O no hydrogen 2.848 N/A THR 96.A N VAL 93.A O no hydrogen 3.483 N/A THR 96.A OG1 LEU 92.A O no hydrogen 2.884 N/A THR 96.A OG1 HIS 270.A NE2 no hydrogen 2.981 N/A ASN 99.A N THR 96.A O no hydrogen 3.086 N/A THR 100.A OG1 ALA 192.A O no hydrogen 2.730 N/A LEU 101.A N MET 191.A O no hydrogen 3.015 N/A LYS 102.A NZ ASP 104.A OD1 no hydrogen 3.075 N/A LYS 102.A NZ ASP 104.A OD2 no hydrogen 3.131 N/A LYS 102.A NZ GLN 266.A OE1 no hydrogen 2.811 N/A TRP 105.A NE1 GLN 266.A OE1 no hydrogen 2.875 N/A ILE 106.A N LYS 102.A O no hydrogen 3.034 N/A ALA 107.A N GLU 103.A O no hydrogen 2.861 N/A TYR 108.A N ASP 104.A O no hydrogen 3.086 N/A TYR 108.A OH ALA 141.A O no hydrogen 3.364 N/A ILE 109.A N TRP 105.A O no hydrogen 2.938 N/A SER 110.A N ILE 106.A O no hydrogen 2.964 N/A SER 110.A OG ILE 106.A O no hydrogen 2.856 N/A ARG 111.A N ALA 107.A O no hydrogen 3.197 N/A ARG 111.A NE GLU 112.A OE1 no hydrogen 3.220 N/A ARG 111.A NH1 GLU 260.A OE2 no hydrogen 3.471 N/A ARG 111.A NH2 GLU 112.A OE1 no hydrogen 3.381 N/A ARG 111.A NH2 GLU 260.A OE1 no hydrogen 3.011 N/A GLU 112.A N TYR 108.A O no hydrogen 3.174 N/A ILE 113.A N ILE 109.A O no hydrogen 2.939 N/A LEU 114.A N SER 110.A O no hydrogen 2.947 N/A ARG 115.A N ARG 111.A O no hydrogen 2.925 N/A GLY 116.A N GLU 112.A O no hydrogen 3.036 N/A LEU 117.A N ILE 113.A O no hydrogen 2.819 N/A ALA 118.A N LEU 114.A O no hydrogen 2.627 N/A HIS 119.A N ARG 115.A O no hydrogen 3.112 N/A LEU 120.A N GLY 116.A O no hydrogen 3.228 N/A HIS 121.A N LEU 117.A O no hydrogen 2.862 N/A HIS 121.A ND1 THR 245.A OG1 no hydrogen 2.797 N/A HIS 121.A NE2 ASP 180.A OD1 no hydrogen 2.677 N/A ILE 122.A N ALA 118.A O no hydrogen 2.975 N/A HIS 123.A N LEU 120.A O no hydrogen 3.058 N/A HIS 124.A N HIS 121.A O no hydrogen 2.654 N/A VAL 125.A N LEU 120.A O no hydrogen 2.834 N/A HIS 127.A N ASP 180.A OD1 no hydrogen 2.965 N/A HIS 127.A NE2 VAL 146.A O no hydrogen 2.901 N/A ARG 128.A N ASP 180.A OD2 no hydrogen 2.860 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 2.915 N/A GLY 132.A N GLU 190.A OE1 no hydrogen 3.067 N/A GLN 133.A NE2 TYR 21.A OH no hydrogen 3.545 N/A ASN 134.A N LYS 131.A O no hydrogen 2.803 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.589 N/A ASN 134.A ND2 ASP 147.A OD1 no hydrogen 3.311 N/A VAL 135.A N GLY 132.A O no hydrogen 3.259 N/A LEU 136.A N LYS 144.A O no hydrogen 2.888 N/A LEU 137.A N GLY 87.A O no hydrogen 2.743 N/A THR 138.A N GLU 142.A O no hydrogen 3.188 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.807 N/A ASN 140.A N THR 138.A OG1 no hydrogen 3.120 N/A ALA 141.A N THR 138.A O no hydrogen 3.168 N/A GLU 142.A N THR 138.A OG1 no hydrogen 2.982 N/A LYS 144.A N LEU 136.A O no hydrogen 3.012 N/A LYS 144.A NZ ARG 60.A O no hydrogen 2.943 N/A LYS 144.A NZ GLU 142.A OE2 no hydrogen 3.427 N/A LEU 145.A N ASN 61.A O no hydrogen 2.860 N/A VAL 146.A N ASN 134.A O no hydrogen 3.182 N/A GLY 149.A N HIS 127.A O no hydrogen 3.024 N/A TYR 158.A OH MET 201.A O no hydrogen 2.658 N/A TRP 159.A NE1 GLU 190.A OE1 no hydrogen 2.971 N/A MET 160.A N PRO 157.A O no hydrogen 3.048 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.703 N/A VAL 164.A N ALA 161.A O no hydrogen 2.999 N/A ILE 165.A N PRO 162.A O no hydrogen 3.125 N/A CYS 167.A N ASN 170.A O no hydrogen 3.283 N/A CYS 167.A SG GLU 169.A OE2 no hydrogen 2.706 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.385 N/A ASN 170.A N CYS 167.A O no hydrogen 2.653 N/A ASN 170.A ND2 GLU 163.A O no hydrogen 2.986 N/A THR 174.A OG1 GLU 163.A O no hydrogen 3.517 N/A ASP 176.A N SER 179.A OG no hydrogen 3.310 N/A ARG 178.A N ASP 176.A OD1 no hydrogen 2.771 N/A ARG 178.A NE ASP 176.A OD1 no hydrogen 2.803 N/A ARG 178.A NH1 ASP 176.A OD1 no hydrogen 3.508 N/A ARG 178.A NH1 ASP 176.A OD2 no hydrogen 2.902 N/A SER 179.A N ASP 176.A O no hydrogen 2.819 N/A SER 179.A OG GLU 163.A OE2 no hydrogen 2.674 N/A SER 179.A OG ASP 176.A O no hydrogen 3.112 N/A ASP 180.A N TYR 177.A O no hydrogen 3.025 N/A LEU 181.A N ARG 178.A O no hydrogen 3.119 N/A TRP 182.A N ARG 178.A O no hydrogen 3.370 N/A SER 183.A N SER 179.A O no hydrogen 3.208 N/A SER 183.A OG TRP 159.A O no hydrogen 2.812 N/A SER 183.A OG SER 179.A O no hydrogen 3.171 N/A CYS 184.A N ASP 180.A O no hydrogen 2.808 N/A GLY 185.A N LEU 181.A O no hydrogen 3.103 N/A ILE 186.A N TRP 182.A O no hydrogen 3.059 N/A THR 187.A N SER 183.A O no hydrogen 2.965 N/A THR 187.A OG1 SER 183.A O no hydrogen 2.842 N/A ALA 188.A N CYS 184.A O no hydrogen 2.984 N/A ILE 189.A N GLY 185.A O no hydrogen 2.983 N/A GLU 190.A N ILE 186.A O no hydrogen 2.936 N/A MET 191.A N THR 187.A O no hydrogen 2.956 N/A ALA 192.A N ALA 188.A O no hydrogen 2.964 N/A GLU 193.A N ILE 189.A O no hydrogen 2.673 N/A GLY 194.A N GLU 190.A O no hydrogen 2.681 N/A CYS 199.A N PRO 196.A O no hydrogen 3.206 N/A CYS 199.A SG ASP 200.A OD1 no hydrogen 3.686 N/A MET 201.A N LEU 198.A O no hydrogen 2.746 N/A MET 204.A N HIS 202.A ND1 no hydrogen 3.009 N/A ALA 206.A N HIS 202.A O no hydrogen 2.921 N/A LEU 207.A N PRO 203.A O no hydrogen 3.063 N/A PHE 208.A N MET 204.A O no hydrogen 3.272 N/A LEU 209.A N ARG 205.A O no hydrogen 2.954 N/A ILE 210.A N ALA 206.A O no hydrogen 2.915 N/A ARG 212.A N LEU 209.A O no hydrogen 2.694 N/A ARG 212.A NH2 PHE 208.A O no hydrogen 2.622 N/A ASN 213.A N LEU 209.A O no hydrogen 2.735 N/A LYS 219.A N GLU 193.A OE2 no hydrogen 2.603 N/A LYS 222.A N SER 220.A OG no hydrogen 2.919 N/A SER 224.A N GLU 103.A OE1 no hydrogen 3.136 N/A SER 224.A OG GLU 103.A OE2 no hydrogen 2.347 N/A PHE 227.A N SER 224.A OG no hydrogen 3.012 N/A PHE 228.A N SER 224.A O no hydrogen 3.169 N/A SER 229.A N LYS 225.A O no hydrogen 2.977 N/A SER 229.A OG HIS 251.A NE2 no hydrogen 2.837 N/A PHE 230.A N LYS 226.A O no hydrogen 2.893 N/A ILE 231.A N PHE 227.A O no hydrogen 2.974 N/A GLU 232.A N PHE 228.A O no hydrogen 3.034 N/A GLY 233.A N SER 229.A O no hydrogen 3.048 N/A CYS 234.A N PHE 230.A O no hydrogen 3.101 N/A CYS 234.A SG PHE 230.A O no hydrogen 3.653 N/A LEU 235.A N ILE 231.A O no hydrogen 2.981 N/A LYS 237.A NZ PRO 211.A O no hydrogen 2.902 N/A LYS 237.A NZ ASN 213.A O no hydrogen 2.731 N/A MET 240.A N ASN 238.A OD1 no hydrogen 2.930 N/A GLN 241.A N ASN 238.A O no hydrogen 2.936 N/A ARG 242.A N TYR 239.A O no hydrogen 3.072 N/A ARG 242.A NE VAL 236.A O no hydrogen 2.791 N/A ARG 242.A NH1 GLU 163.A OE2 no hydrogen 2.883 N/A ARG 242.A NH1 ARG 178.A O no hydrogen 2.853 N/A ARG 242.A NH2 GLU 163.A OE1 no hydrogen 3.137 N/A ARG 242.A NH2 VAL 236.A O no hydrogen 2.892 N/A ARG 242.A NH2 LYS 237.A O no hydrogen 3.246 N/A SER 244.A N GLN 247.A OE1 no hydrogen 2.963 N/A THR 245.A OG1 HIS 121.A ND1 no hydrogen 2.797 N/A GLN 247.A N SER 244.A OG no hydrogen 3.141 N/A LEU 248.A N SER 244.A O no hydrogen 3.178 N/A LEU 249.A N THR 245.A O no hydrogen 3.128 N/A LYS 250.A N GLN 247.A O no hydrogen 3.100 N/A HIS 251.A N LEU 248.A O no hydrogen 3.024 N/A HIS 251.A NE2 SER 229.A OG no hydrogen 2.837 N/A PHE 253.A N HIS 251.A ND1 no hydrogen 3.067 N/A ILE 254.A N HIS 251.A O no hydrogen 2.608 N/A ARG 255.A N HIS 251.A O no hydrogen 2.760 N/A ARG 255.A NE ASP 256.A OD1 no hydrogen 2.606 N/A ARG 255.A NH2 ASP 256.A OD1 no hydrogen 3.470 N/A ARG 255.A NH2 ASP 256.A OD2 no hydrogen 3.009 N/A ASP 256.A N PRO 252.A O no hydrogen 3.024 N/A VAL 263.A N ASN 259.A O no hydrogen 2.991 N/A ARG 264.A N GLU 260.A O no hydrogen 3.007 N/A ILE 265.A N ARG 261.A O no hydrogen 3.040 N/A GLN 266.A N GLN 262.A O no hydrogen 2.713 N/A LEU 267.A N VAL 263.A O no hydrogen 2.910 N/A LYS 268.A N ARG 264.A O no hydrogen 2.871 N/A ASP 269.A N ILE 265.A O no hydrogen 3.011 N/A HIS 270.A N GLN 266.A O no hydrogen 2.750 N/A HIS 270.A NE2 THR 96.A OG1 no hydrogen 2.981 N/A ILE 271.A N LEU 267.A O no hydrogen 2.738 N/A ASP 272.A N LYS 268.A O no hydrogen 3.021 N/A ARG 273.A N ASP 269.A O no hydrogen 2.792 N/A ARG 273.A NH2 ASP 269.A OD2 no hydrogen 3.108 N/A THR 274.A N ILE 271.A O no hydrogen 3.273 N/A THR 274.A OG1 ASN 95.A O no hydrogen 3.436 N/A ARG 275.A N ASP 272.A O no hydrogen 3.337 N/A