Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sw4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 2.980 N/A GLN 5.A N ARG 22.A O no hydrogen 2.990 N/A GLN 5.A NE2 LYS 6.A O no hydrogen 3.422 N/A VAL 7.A N LYS 20.A O no hydrogen 2.824 N/A GLU 8.A N LYS 20.A O no hydrogen 3.378 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 2.776 N/A ILE 10.A N VAL 18.A O no hydrogen 2.867 N/A GLY 11.A N VAL 18.A O no hydrogen 3.197 N/A GLY 13.A N GLY 16.A O no hydrogen 3.239 N/A VAL 18.A N GLY 11.A O no hydrogen 2.826 N/A TYR 19.A N LEU 32.A O.A no hydrogen 2.856 N/A TYR 19.A N LEU 32.A O.B no hydrogen 2.811 N/A LYS 20.A N GLU 8.A O no hydrogen 2.730 N/A ALA 21.A N VAL 30.A O no hydrogen 2.886 N/A ARG 22.A N GLN 5.A O no hydrogen 2.830 N/A ARG 22.A NH1 GLY 27.A O no hydrogen 2.974 N/A ASN 23.A N GLU 28.A O no hydrogen 2.680 N/A LYS 24.A N ASN 3.A O no hydrogen 2.699 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.193 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.179 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.365 N/A GLY 27.A N ASN 23.A O no hydrogen 2.728 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.337 N/A VAL 30.A N ALA 21.A O no hydrogen 2.861 N/A ALA 31.A N PHE 72.A O no hydrogen 2.859 N/A LEU 32.A N.A TYR 19.A O no hydrogen 2.774 N/A LEU 32.A N.B TYR 19.A O no hydrogen 2.765 N/A LYS 33.A N LEU 70.A O no hydrogen 2.854 N/A LYS 34.A N VAL 17.A O no hydrogen 3.103 N/A ILE 35.A N LEU 68.A O no hydrogen 2.885 N/A ARG 36.A N TYR 15.A O no hydrogen 2.947 N/A ARG 36.A N LYS 34.A O no hydrogen 3.666 N/A ILE 41.A N PRO 37.A O no hydrogen 3.358 N/A ARG 42.A N SER 38.A O no hydrogen 3.208 N/A GLU 43.A N THR 39.A O no hydrogen 3.042 N/A ILE 44.A N ALA 40.A O no hydrogen 3.039 N/A SER 45.A N ILE 41.A O no hydrogen 3.048 N/A SER 45.A OG ILE 41.A O no hydrogen 2.661 N/A LEU 46.A N ARG 42.A O no hydrogen 3.168 N/A LEU 46.A N GLU 43.A O no hydrogen 3.292 N/A LEU 47.A N GLU 43.A O no hydrogen 3.275 N/A LYS 48.A N ILE 44.A O no hydrogen 3.317 N/A GLU 49.A N LEU 46.A O no hydrogen 3.224 N/A LEU 50.A N LEU 47.A O no hydrogen 3.033 N/A ASN 51.A ND2 LYS 48.A O no hydrogen 3.526 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 2.908 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.105 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 2.922 N/A ILE 55.A N HIS 52.A O no hydrogen 3.070 N/A VAL 56.A N LEU 135.A O no hydrogen 2.844 N/A LYS 57.A N GLU 73.A OE1 no hydrogen 2.815 N/A LYS 57.A NZ ASN 51.A OD1 no hydrogen 2.950 N/A LYS 57.A NZ LEU 58.A O no hydrogen 2.808 N/A LEU 59.A N VAL 71.A O no hydrogen 2.753 N/A ASP 60.A N VAL 71.A O no hydrogen 3.218 N/A ILE 62.A N TYR 69.A O no hydrogen 2.925 N/A HIS 63.A ND1 LYS 67.A O no hydrogen 3.310 N/A LYS 67.A N THR 64.A O no hydrogen 3.049 N/A TYR 69.A N ILE 62.A O no hydrogen 2.980 N/A LEU 70.A N LYS 33.A O no hydrogen 2.796 N/A VAL 71.A N ASP 60.A O no hydrogen 2.810 N/A PHE 72.A N ALA 31.A O no hydrogen 2.790 N/A GLU 73.A N LYS 57.A O no hydrogen 2.960 N/A GLN 77.A N ILE 127.A O no hydrogen 3.409 N/A GLN 77.A NE2 ARG 279.A O no hydrogen 3.210 N/A LEU 79.A N LEU 125.A O no hydrogen 2.818 N/A LYS 80.A NZ ASP 84.A OD1 no hydrogen 3.126 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.875 N/A PHE 82.A N ASP 78.A O no hydrogen 3.296 N/A MET 83.A N LEU 79.A O no hydrogen 2.741 N/A ASP 84.A N LYS 80.A O no hydrogen 2.968 N/A ALA 85.A N LYS 81.A O no hydrogen 2.851 N/A SER 86.A N PHE 82.A O no hydrogen 2.951 N/A SER 86.A OG PHE 82.A O no hydrogen 2.810 N/A ALA 87.A N ASP 84.A O no hydrogen 3.312 N/A THR 89.A OG1 GLY 90.A O no hydrogen 3.532 N/A GLY 90.A N SER 86.A O no hydrogen 2.620 N/A LEU 95.A N PRO 92.A O no hydrogen 2.910 N/A ILE 96.A N PRO 92.A O no hydrogen 3.037 N/A LYS 97.A N LEU 93.A O no hydrogen 2.906 N/A LYS 97.A NZ PHE 267.A O no hydrogen 2.971 N/A LYS 97.A NZ ASP 270.A OD1 no hydrogen 2.576 N/A SER 98.A N PRO 94.A O no hydrogen 3.049 N/A SER 98.A OG THR 272.A O no hydrogen 3.352 N/A TYR 99.A N LEU 95.A O no hydrogen 2.922 N/A LEU 100.A N ILE 96.A O no hydrogen 2.852 N/A PHE 101.A N LYS 97.A O no hydrogen 2.928 N/A GLN 102.A N SER 98.A O no hydrogen 2.985 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.448 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.075 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.963 N/A LEU 103.A N TYR 99.A O no hydrogen 2.906 N/A LEU 104.A N LEU 100.A O no hydrogen 2.925 N/A GLN 105.A N PHE 101.A O no hydrogen 2.992 N/A GLN 105.A NE2 PHE 101.A O no hydrogen 3.675 N/A GLY 106.A N GLN 102.A O no hydrogen 3.053 N/A LEU 107.A N.A LEU 103.A O no hydrogen 2.872 N/A LEU 107.A N.B LEU 103.A O no hydrogen 2.881 N/A ALA 108.A N LEU 104.A O no hydrogen 2.818 N/A PHE 109.A N GLN 105.A O no hydrogen 3.048 N/A CYS 110.A N GLY 106.A O no hydrogen 3.051 N/A CYS 110.A SG.A GLY 106.A O no hydrogen 3.651 N/A CYS 110.A SG.B GLY 106.A O no hydrogen 3.341 N/A CYS 110.A SG.B LEU 107.A O.A no hydrogen 3.160 N/A CYS 110.A SG.B LEU 107.A O.B no hydrogen 3.216 N/A CYS 110.A SG.B VAL 115.A O no hydrogen 3.752 N/A HIS 111.A N LEU 107.A O.A no hydrogen 2.805 N/A HIS 111.A N LEU 107.A O.B no hydrogen 2.813 N/A HIS 111.A NE2 ASP 167.A OD2 no hydrogen 2.884 N/A SER 112.A N ALA 108.A O no hydrogen 3.046 N/A SER 112.A OG PHE 109.A O no hydrogen 2.597 N/A SER 112.A OG HIS 113.A ND1 no hydrogen 3.340 N/A HIS 113.A N CYS 110.A O no hydrogen 2.954 N/A HIS 113.A ND1 PHE 109.A O no hydrogen 3.083 N/A ARG 114.A N HIS 111.A O no hydrogen 3.012 N/A VAL 115.A N CYS 110.A O no hydrogen 2.962 N/A HIS 117.A N ASP 167.A OD2 no hydrogen 2.835 N/A HIS 117.A NE2 ALA 136.A O no hydrogen 2.613 N/A ARG 118.A N ASP 167.A OD1 no hydrogen 2.867 N/A ARG 118.A NH1 TYR 162.A OH no hydrogen 3.055 N/A ASP 119.A N HIS 117.A ND1 no hydrogen 2.988 N/A LYS 121.A N ASN 124.A OD1 no hydrogen 3.152 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 3.119 N/A GLN 123.A N GLN 123.A OE1 no hydrogen 2.809 N/A ASN 124.A N LYS 121.A O no hydrogen 2.884 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 3.005 N/A LEU 125.A N PRO 122.A O no hydrogen 3.323 N/A LEU 126.A N LYS 134.A O no hydrogen 2.917 N/A ILE 127.A N GLN 77.A O no hydrogen 2.826 N/A ASN 128.A N ALA 132.A O no hydrogen 3.272 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 3.089 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 2.961 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.118 N/A LYS 134.A N LEU 126.A O no hydrogen 2.809 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.174 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 3.526 N/A LEU 135.A N ASN 54.A O no hydrogen 2.869 N/A ALA 136.A N ASN 124.A O no hydrogen 2.892 N/A GLY 139.A N LEU 116.A O no hydrogen 2.997 N/A LEU 140.A N ASP 137.A O no hydrogen 3.387 N/A ALA 143.A N GLY 139.A O no hydrogen 3.129 N/A PHE 144.A N LEU 140.A O no hydrogen 3.073 N/A GLY 145.A N ARG 142.A O no hydrogen 3.291 N/A TYR 150.A OH GLU 177.A OE1 no hydrogen 2.657 N/A ARG 151.A N LEU 148.A O no hydrogen 3.129 N/A ARG 151.A NH1.B ASP 119.A OD1 no hydrogen 2.852 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.731 N/A ILE 155.A N ALA 152.A O no hydrogen 3.045 N/A LEU 156.A N ALA 152.A O no hydrogen 3.285 N/A LEU 157.A N PRO 153.A O no hydrogen 2.882 N/A GLY 158.A N ILE 155.A O no hydrogen 2.997 N/A CYS 159.A N GLU 154.A O no hydrogen 2.950 N/A ALA 165.A N SER 163.A OG no hydrogen 3.111 N/A VAL 166.A N SER 163.A O no hydrogen 3.076 N/A ASP 167.A N THR 164.A O no hydrogen 3.088 N/A TRP 169.A N ALA 165.A O no hydrogen 3.104 N/A SER 170.A N VAL 166.A O no hydrogen 3.148 N/A SER 170.A OG TYR 150.A O no hydrogen 2.700 N/A SER 170.A OG VAL 166.A O no hydrogen 3.142 N/A LEU 171.A N ASP 167.A O no hydrogen 2.961 N/A GLY 172.A N ILE 168.A O no hydrogen 2.866 N/A CYS 173.A N TRP 169.A O no hydrogen 3.057 N/A CYS 173.A SG TRP 169.A O no hydrogen 3.598 N/A ILE 174.A N SER 170.A O no hydrogen 3.028 N/A PHE 175.A N LEU 171.A O no hydrogen 2.864 N/A ALA 176.A N GLY 172.A O no hydrogen 3.017 N/A GLU 177.A N CYS 173.A O no hydrogen 3.100 N/A MET 178.A N ILE 174.A O no hydrogen 2.880 N/A VAL 179.A N PHE 175.A O no hydrogen 3.119 N/A THR 180.A N ALA 176.A O no hydrogen 2.942 N/A THR 180.A OG1 ALA 176.A O no hydrogen 3.059 N/A ARG 181.A N GLU 177.A O no hydrogen 2.919 N/A ARG 181.A NH1 ALA 87.A O no hydrogen 3.160 N/A ARG 182.A N.B THR 180.A OG1 no hydrogen 3.385 N/A GLY 187.A N PHE 185.A O no hydrogen 2.949 N/A GLY 187.A N GLN 193.A OE1 no hydrogen 2.877 N/A ASP 188.A N ASP 192.A OD2 no hydrogen 3.140 N/A ASP 192.A N SER 189.A OG no hydrogen 3.078 N/A GLN 193.A N SER 189.A O no hydrogen 2.874 N/A GLN 193.A NE2 TRP 149.A O no hydrogen 3.164 N/A GLN 193.A NE2 PHE 185.A O no hydrogen 2.914 N/A LEU 194.A N.A GLU 190.A O no hydrogen 3.009 N/A LEU 194.A N.B GLU 190.A O no hydrogen 3.029 N/A PHE 195.A N ILE 191.A O no hydrogen 2.869 N/A ARG 196.A N ASP 192.A O no hydrogen 2.866 N/A ARG 196.A NE ASP 192.A OD2 no hydrogen 2.910 N/A ILE 197.A N GLN 193.A O no hydrogen 3.162 N/A PHE 198.A N LEU 194.A O.A no hydrogen 2.983 N/A PHE 198.A N LEU 194.A O.B no hydrogen 2.897 N/A ARG 199.A N PHE 195.A O no hydrogen 2.851 N/A THR 200.A N ARG 196.A O no hydrogen 3.338 N/A THR 200.A N ILE 197.A O no hydrogen 3.159 N/A THR 200.A OG1 ARG 196.A O no hydrogen 3.532 N/A LEU 201.A N ILE 197.A O no hydrogen 2.829 N/A GLY 202.A N PHE 198.A O no hydrogen 2.771 N/A THR 203.A N TRP 225.A O no hydrogen 2.916 N/A THR 203.A OG1 PRO 223.A O no hydrogen 2.714 N/A VAL 208.A N ASP 205.A OD1 no hydrogen 3.171 N/A TRP 209.A N ASP 205.A O no hydrogen 2.899 N/A GLY 211.A N GLU 206.A OE1 no hydrogen 2.728 N/A VAL 212.A N TRP 209.A O no hydrogen 2.978 N/A THR 213.A N GLU 206.A OE2 no hydrogen 3.005 N/A THR 213.A OG1 GLU 206.A OE2 no hydrogen 2.614 N/A SER 214.A N GLY 211.A O no hydrogen 3.083 N/A SER 214.A OG GLY 211.A O no hydrogen 2.909 N/A MET 215.A N VAL 212.A O no hydrogen 3.149 N/A ASP 217.A N LEU 157.A O no hydrogen 2.875 N/A TYR 218.A N MET 215.A O no hydrogen 3.135 N/A PHE 222.A N LYS 219.A O no hydrogen 2.943 N/A TRP 225.A N THR 203.A OG1 no hydrogen 2.886 N/A ARG 227.A NH1 LEU 201.A O no hydrogen 3.050 N/A GLN 228.A N THR 200.A O no hydrogen 2.825 N/A GLN 228.A NE2 ARG 199.A O no hydrogen 3.392 N/A SER 231.A N ASP 229.A OD1.B no hydrogen 3.025 N/A LYS 232.A N ASP 229.A O no hydrogen 2.844 N/A VAL 233.A N PHE 230.A O no hydrogen 3.045 N/A VAL 234.A N PHE 230.A O no hydrogen 2.913 N/A LEU 237.A N VAL 234.A O no hydrogen 2.939 N/A GLY 241.A N ASP 238.A OD1.A no hydrogen 3.035 N/A GLY 241.A N ASP 238.A OD1.B no hydrogen 2.838 N/A ARG 242.A N ASP 238.A O no hydrogen 2.926 N/A ARG 242.A NH1 LEU 237.A O no hydrogen 2.862 N/A SER 243.A N GLU 239.A O no hydrogen 2.860 N/A SER 243.A OG.B GLU 239.A O no hydrogen 3.483 N/A SER 243.A OG.B ASP 240.A O no hydrogen 3.070 N/A SER 243.A OG.B HIS 265.A NE2 no hydrogen 2.968 N/A LEU 244.A N ASP 240.A O no hydrogen 3.008 N/A LEU 245.A N GLY 241.A O no hydrogen 2.909 N/A SER 246.A N ARG 242.A O no hydrogen 2.915 N/A SER 246.A OG.A SER 243.A O no hydrogen 2.693 N/A GLN 247.A N SER 243.A O no hydrogen 3.089 N/A MET 248.A N LEU 244.A O no hydrogen 2.999 N/A LEU 249.A N LEU 245.A O no hydrogen 2.958 N/A LEU 249.A N SER 246.A O no hydrogen 3.347 N/A TYR 251.A OH GLY 202.A O no hydrogen 2.609 N/A ASN 254.A N ASP 252.A OD1 no hydrogen 2.969 N/A LYS 255.A N ASP 252.A O no hydrogen 2.879 N/A LYS 255.A NZ VAL 208.A O no hydrogen 2.618 N/A ARG 256.A N ASP 252.A O no hydrogen 3.034 N/A ARG 256.A NE HIS 250.A O no hydrogen 2.860 N/A ARG 256.A NH1 GLU 154.A OE1 no hydrogen 3.409 N/A ARG 256.A NH1 GLU 154.A OE2 no hydrogen 2.844 N/A ARG 256.A NH1 ALA 165.A O no hydrogen 2.982 N/A ARG 256.A NH2 GLU 154.A OE1 no hydrogen 2.862 N/A ARG 256.A NH2 HIS 250.A O no hydrogen 3.209 N/A ARG 256.A NH2 TYR 251.A O no hydrogen 2.923 N/A ILE 257.A N GLN 247.A O no hydrogen 3.016 N/A ALA 261.A N SER 258.A OG no hydrogen 3.009 N/A ALA 262.A N SER 258.A O no hydrogen 2.871 N/A LEU 263.A N ALA 259.A O no hydrogen 3.052 N/A ALA 264.A N ALA 261.A O no hydrogen 3.040 N/A HIS 265.A N ALA 262.A O no hydrogen 2.980 N/A PHE 267.A N HIS 265.A ND1 no hydrogen 2.938 N/A PHE 268.A N HIS 265.A O no hydrogen 2.923 N/A GLN 269.A N PRO 266.A O no hydrogen 3.051 N/A VAL 271.A N PHE 268.A O no hydrogen 3.141 N/A