Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pwl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 8.A N ASP 5.A O no hydrogen 3.082 N/A GLU 9.A N ASP 5.A O no hydrogen 3.112 N/A PHE 10.A N ALA 87.A O no hydrogen 2.786 N/A ARG 12.A NE GLN 90.A O no hydrogen 2.915 N/A ARG 12.A NH1 PRO 93.A O no hydrogen 2.974 N/A ARG 12.A NH2 GLN 90.A O no hydrogen 3.199 N/A ARG 12.A NH2 PRO 93.A O no hydrogen 2.568 N/A LYS 14.A N PRO 11.A O no hydrogen 3.051 N/A LEU 15.A N ARG 12.A O no hydrogen 3.358 N/A THR 16.A N GLU 33.A O no hydrogen 2.915 N/A GLY 18.A N MET 31.A O no hydrogen 2.577 N/A LEU 21.A N VAL 29.A O no hydrogen 2.659 N/A GLY 24.A N GLY 27.A O no hydrogen 2.644 N/A GLN 28.A N MET 52.A O no hydrogen 2.686 N/A VAL 29.A N GLY 22.A O no hydrogen 3.256 N/A VAL 30.A N VAL 50.A O no hydrogen 2.943 N/A MET 31.A N LYS 19.A O no hydrogen 2.768 N/A ALA 32.A N VAL 48.A O no hydrogen 2.957 N/A GLU 33.A N THR 16.A O no hydrogen 2.995 N/A ALA 34.A N VAL 46.A O no hydrogen 2.771 N/A VAL 35.A N LYS 14.A O no hydrogen 3.048 N/A GLY 36.A N GLU 44.A O no hydrogen 2.751 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.988 N/A LYS 41.A N ASP 38.A O no hydrogen 2.744 N/A GLU 44.A N LYS 41.A O no hydrogen 3.112 N/A VAL 46.A N ALA 34.A O no hydrogen 2.723 N/A VAL 48.A N ALA 32.A O no hydrogen 2.767 N/A ALA 49.A N VAL 98.A O no hydrogen 2.924 N/A VAL 50.A N VAL 30.A O no hydrogen 2.902 N/A LYS 51.A N VAL 96.A O no hydrogen 2.866 N/A LYS 51.A NZ GLU 68.A OE1 no hydrogen 2.856 N/A MET 52.A N GLN 28.A O no hydrogen 2.850 N/A LYS 54.A NZ GLY 24.A O no hydrogen 3.538 N/A LYS 54.A NZ ALA 25.A O no hydrogen 3.273 N/A ALA 57.A N LYS 54.A O no hydrogen 3.052 N/A THR 58.A N ASP 61.A OD2 no hydrogen 2.838 N/A ASP 61.A N THR 58.A OG1 no hydrogen 3.025 N/A LEU 62.A N THR 58.A O no hydrogen 3.249 N/A SER 63.A N GLU 59.A O no hydrogen 3.057 N/A ASP 64.A N LYS 60.A O no hydrogen 2.853 N/A LEU 65.A N ASP 61.A O no hydrogen 2.881 N/A VAL 66.A N LEU 62.A O no hydrogen 2.850 N/A SER 67.A N SER 63.A O no hydrogen 2.956 N/A GLU 68.A N ASP 64.A O no hydrogen 2.842 N/A MET 69.A N LEU 65.A O no hydrogen 3.054 N/A GLU 70.A N VAL 66.A O no hydrogen 2.978 N/A MET 71.A N SER 67.A O no hydrogen 2.989 N/A MET 72.A N GLU 68.A O no hydrogen 3.110 N/A LYS 73.A N MET 69.A O no hydrogen 3.080 N/A LYS 73.A N GLU 70.A O no hydrogen 3.212 N/A LYS 73.A NZ ASP 5.A OD1 no hydrogen 2.687 N/A LYS 73.A NZ GLU 70.A OE2 no hydrogen 2.656 N/A MET 74.A N GLU 70.A O no hydrogen 3.222 N/A ILE 75.A N MET 71.A O no hydrogen 3.006 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 2.860 N/A ASN 80.A ND2 MET 160.A O no hydrogen 3.161 N/A ILE 81.A N HIS 78.A O no hydrogen 3.354 N/A ILE 82.A N ILE 162.A O no hydrogen 2.884 N/A HIS 83.A N GLU 99.A OE1 no hydrogen 2.676 N/A LEU 85.A N ILE 97.A O no hydrogen 2.728 N/A GLY 86.A N ILE 97.A O no hydrogen 3.258 N/A ALA 87.A N TRP 8.A O no hydrogen 2.949 N/A CYS 88.A N TYR 95.A O no hydrogen 2.943 N/A CYS 88.A SG PHE 10.A O no hydrogen 3.561 N/A THR 89.A N GLU 9.A OE1 no hydrogen 2.784 N/A THR 89.A OG1 GLU 9.A OE2 no hydrogen 2.728 N/A GLN 90.A N GLU 9.A OE1 no hydrogen 3.196 N/A GLN 90.A NE2 LEU 2.A O no hydrogen 2.792 N/A GLN 90.A NE2 THR 89.A OG1 no hydrogen 3.054 N/A TYR 95.A N CYS 88.A O no hydrogen 3.036 N/A VAL 96.A N LYS 51.A O no hydrogen 3.045 N/A ILE 97.A N GLY 86.A O no hydrogen 2.870 N/A VAL 98.A N ALA 49.A O no hydrogen 2.884 N/A GLU 99.A N HIS 83.A O no hydrogen 2.976 N/A SER 102.A OG GLU 156.A OE2 no hydrogen 2.717 N/A LYS 103.A N VAL 154.A O no hydrogen 2.994 N/A LYS 103.A NZ GLU 156.A O no hydrogen 3.218 N/A LYS 103.A NZ ASN 158.A OD1 no hydrogen 2.878 N/A GLY 104.A N ALA 101.A O no hydrogen 3.503 N/A LEU 106.A N VAL 152.A O no hydrogen 2.610 N/A ARG 107.A N ALA 149.A O no hydrogen 3.381 N/A ARG 107.A NH2 SER 222.A OG no hydrogen 2.736 N/A GLU 108.A N ASN 105.A OD1 no hydrogen 2.887 N/A TYR 109.A N ASN 105.A O no hydrogen 3.044 N/A TYR 109.A OH ASN 158.A OD1 no hydrogen 3.133 N/A LEU 110.A N LEU 106.A O no hydrogen 2.826 N/A ARG 111.A N ARG 107.A O no hydrogen 3.048 N/A ALA 112.A N GLU 108.A O no hydrogen 3.060 N/A ARG 113.A N LEU 110.A O no hydrogen 3.065 N/A ARG 113.A NH1 TYR 109.A O no hydrogen 2.846 N/A ARG 114.A NE LEU 219.A O no hydrogen 2.914 N/A ARG 114.A NH2 THR 218.A O no hydrogen 3.079 N/A ARG 114.A NH2 LEU 219.A O no hydrogen 3.170 N/A THR 119.A N ASP 122.A OD2 no hydrogen 2.551 N/A THR 119.A OG1 ASP 122.A OD2 no hydrogen 2.645 N/A ASP 122.A N THR 119.A OG1 no hydrogen 3.020 N/A LEU 123.A N THR 119.A O no hydrogen 3.118 N/A VAL 124.A N PHE 120.A O no hydrogen 3.016 N/A SER 125.A N LYS 121.A O no hydrogen 2.794 N/A CYS 126.A N ASP 122.A O no hydrogen 2.832 N/A CYS 126.A SG ASP 122.A O no hydrogen 3.547 N/A THR 127.A N LEU 123.A O no hydrogen 3.099 N/A THR 127.A OG1 LEU 123.A O no hydrogen 2.754 N/A TYR 128.A N VAL 124.A O no hydrogen 2.871 N/A GLN 129.A N SER 125.A O no hydrogen 2.886 N/A GLN 129.A NE2 SER 125.A O no hydrogen 3.380 N/A GLN 129.A NE2 SER 125.A OG no hydrogen 3.030 N/A LEU 130.A N CYS 126.A O no hydrogen 3.033 N/A ALA 131.A N THR 127.A O no hydrogen 2.852 N/A ARG 132.A N TYR 128.A O no hydrogen 2.925 N/A ARG 132.A NE ASN 80.A OD1 no hydrogen 3.018 N/A ARG 132.A NH2 ASN 80.A OD1 no hydrogen 2.966 N/A GLY 133.A N GLN 129.A O no hydrogen 2.932 N/A MET 134.A N LEU 130.A O no hydrogen 2.959 N/A GLU 135.A N ALA 131.A O no hydrogen 2.910 N/A TYR 136.A N ARG 132.A O no hydrogen 3.226 N/A TYR 136.A OH ILE 75.A O no hydrogen 2.741 N/A LEU 137.A N GLY 133.A O no hydrogen 3.042 N/A ALA 138.A N MET 134.A O no hydrogen 2.872 N/A SER 139.A N GLU 135.A O no hydrogen 3.059 N/A SER 139.A OG GLU 135.A O no hydrogen 3.513 N/A SER 139.A OG TYR 136.A O no hydrogen 2.603 N/A GLN 140.A N LEU 137.A O no hydrogen 2.915 N/A GLN 140.A NE2 ILE 75.A O no hydrogen 2.888 N/A LYS 141.A N ALA 138.A O no hydrogen 2.908 N/A CYS 142.A N LEU 137.A O no hydrogen 3.257 N/A CYS 142.A SG ARG 169.A O no hydrogen 4.045 N/A ILE 143.A N ARG 169.A O no hydrogen 2.885 N/A HIS 144.A N ASP 205.A OD1 no hydrogen 2.779 N/A HIS 144.A NE2 ALA 163.A O no hydrogen 2.827 N/A ARG 145.A N ASP 205.A OD2 no hydrogen 2.970 N/A ARG 145.A NH1 LEU 167.A O no hydrogen 2.857 N/A ARG 145.A NH2 ASN 182.A OD1 no hydrogen 3.178 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.052 N/A ALA 149.A N GLU 215.A OE2 no hydrogen 2.916 N/A ARG 150.A NH2 ASP 146.A OD2 no hydrogen 3.155 N/A ASN 151.A N ALA 148.A O no hydrogen 2.796 N/A VAL 152.A N ALA 149.A O no hydrogen 3.169 N/A LEU 153.A N LYS 161.A O no hydrogen 2.800 N/A VAL 154.A N GLY 104.A O no hydrogen 2.967 N/A THR 155.A N VAL 159.A O no hydrogen 3.134 N/A ASN 157.A N THR 155.A OG1 no hydrogen 3.169 N/A ASN 158.A N THR 155.A O no hydrogen 2.854 N/A VAL 159.A N THR 155.A OG1 no hydrogen 3.192 N/A MET 160.A N GLN 129.A OE1 no hydrogen 3.045 N/A LYS 161.A N LEU 153.A O no hydrogen 2.749 N/A LYS 161.A NZ LYS 79.A O no hydrogen 2.681 N/A ILE 162.A N ASN 80.A O no hydrogen 2.996 N/A ALA 163.A N ASN 151.A O no hydrogen 2.808 N/A PHE 165.A N GLU 68.A OE2 no hydrogen 3.318 N/A ALA 168.A N PHE 165.A O no hydrogen 3.265 N/A ARG 169.A N ILE 143.A O no hydrogen 2.903 N/A ARG 169.A NH1 ALA 168.A O no hydrogen 2.759 N/A ILE 171.A N LYS 141.A O no hydrogen 2.732 N/A ASN 172.A N ASP 170.A OD1 no hydrogen 2.618 N/A ASN 173.A N ASP 170.A O no hydrogen 2.687 N/A TYR 177.A N ARG 198.A O no hydrogen 3.103 N/A LYS 178.A NZ ASP 175.A OD2 no hydrogen 2.628 N/A THR 181.A N LYS 178.A O no hydrogen 2.824 N/A THR 181.A OG1 ASP 175.A O no hydrogen 2.423 N/A THR 181.A OG1 LYS 178.A O no hydrogen 3.213 N/A ASN 182.A ND2 ALA 194.A O no hydrogen 2.660 N/A ASN 182.A ND2 VAL 199.A O no hydrogen 2.972 N/A GLY 183.A N THR 180.A O no hydrogen 3.314 N/A ARG 184.A NH1 ASP 64.A OD2 no hydrogen 3.080 N/A ARG 184.A NH2 ASP 64.A OD1 no hydrogen 3.128 N/A LEU 185.A N ASN 182.A O no hydrogen 3.323 N/A LYS 188.A NZ PRO 223.A O no hydrogen 3.248 N/A LYS 188.A NZ TYR 224.A O no hydrogen 2.984 N/A LYS 188.A NZ ILE 227.A O no hydrogen 2.805 N/A TRP 189.A N PRO 186.A O no hydrogen 3.284 N/A TRP 189.A NE1 GLU 215.A OE2 no hydrogen 2.794 N/A MET 190.A N VAL 187.A O no hydrogen 3.166 N/A ALA 194.A N ALA 191.A O no hydrogen 3.151 N/A LEU 195.A N PRO 192.A O no hydrogen 3.150 N/A PHE 196.A N PRO 192.A O no hydrogen 3.005 N/A ASP 197.A N GLU 193.A O no hydrogen 2.919 N/A ARG 198.A NH1 THR 181.A O no hydrogen 2.893 N/A TYR 200.A OH ASP 205.A OD2 no hydrogen 2.578 N/A THR 201.A N SER 204.A OG no hydrogen 3.231 N/A GLN 203.A N THR 201.A OG1 no hydrogen 3.187 N/A SER 204.A N THR 201.A O no hydrogen 2.866 N/A SER 204.A OG GLU 193.A OE1 no hydrogen 2.939 N/A ASP 205.A N THR 201.A O no hydrogen 3.443 N/A VAL 206.A N HIS 202.A O no hydrogen 3.066 N/A TRP 207.A N GLN 203.A O no hydrogen 3.372 N/A SER 208.A N SER 204.A O no hydrogen 3.302 N/A SER 208.A OG TRP 189.A O no hydrogen 2.663 N/A PHE 209.A N ASP 205.A O no hydrogen 2.794 N/A GLY 210.A N VAL 206.A O no hydrogen 3.105 N/A VAL 211.A N TRP 207.A O no hydrogen 3.302 N/A LEU 212.A N SER 208.A O no hydrogen 2.870 N/A MET 213.A N PHE 209.A O no hydrogen 2.788 N/A TRP 214.A N GLY 210.A O no hydrogen 3.110 N/A TRP 214.A NE1 ASP 243.A O no hydrogen 3.121 N/A GLU 215.A N VAL 211.A O no hydrogen 2.962 N/A ILE 216.A N LEU 212.A O no hydrogen 2.836 N/A PHE 217.A N MET 213.A O no hydrogen 3.024 N/A THR 218.A N GLU 215.A O no hydrogen 3.218 N/A THR 218.A OG1 TRP 214.A O no hydrogen 2.702 N/A THR 218.A OG1 GLU 215.A O no hydrogen 2.862 N/A LEU 219.A N ILE 216.A O no hydrogen 3.020 N/A GLY 220.A N GLU 215.A O no hydrogen 2.790 N/A GLY 221.A N THR 218.A OG1 no hydrogen 2.944 N/A ILE 227.A N TYR 224.A O no hydrogen 3.062 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.678 N/A GLU 231.A N PRO 228.A O no hydrogen 2.980 N/A LEU 232.A N VAL 229.A O no hydrogen 3.330 N/A LEU 236.A N LEU 232.A O no hydrogen 2.832 N/A LYS 237.A N PHE 233.A O no hydrogen 3.074 N/A GLU 238.A N LYS 234.A O no hydrogen 3.181 N/A GLY 239.A N LEU 236.A O no hydrogen 2.813 N/A HIS 240.A N LEU 235.A O no hydrogen 2.795 N/A ARG 241.A NE TRP 260.A O no hydrogen 2.829 N/A ARG 241.A NH1 LEU 236.A O no hydrogen 3.285 N/A ARG 241.A NH1 HIS 240.A O no hydrogen 2.779 N/A ARG 241.A NH2 TRP 260.A O no hydrogen 2.907 N/A LYS 244.A NZ PRO 245.A O no hydrogen 3.183 N/A LYS 244.A NZ CYS 248.A O no hydrogen 2.908 N/A ASN 247.A ND2 PHE 217.A O no hydrogen 3.173 N/A CYS 248.A N PRO 245.A O no hydrogen 3.040 N/A CYS 248.A SG THR 249.A O no hydrogen 3.326 N/A TYR 253.A N THR 249.A O no hydrogen 2.928 N/A TYR 253.A OH MET 242.A O no hydrogen 2.711 N/A MET 254.A N ASN 250.A O no hydrogen 2.898 N/A MET 255.A N GLU 251.A O no hydrogen 3.076 N/A MET 256.A N LEU 252.A O no hydrogen 3.159 N/A ARG 257.A N TYR 253.A O no hydrogen 2.912 N/A ARG 257.A NH1 TYR 253.A OH no hydrogen 2.896 N/A ASP 258.A N MET 254.A O no hydrogen 2.934 N/A CYS 259.A N MET 255.A O no hydrogen 3.010 N/A CYS 259.A SG MET 255.A O no hydrogen 3.352 N/A TRP 260.A N MET 256.A O no hydrogen 3.018 N/A TRP 260.A N ARG 257.A O no hydrogen 3.013 N/A HIS 261.A N ASP 258.A O no hydrogen 3.075 N/A GLN 266.A N VAL 263.A O no hydrogen 2.919 N/A ARG 267.A N PRO 264.A O no hydrogen 3.086 N/A ARG 267.A NE HIS 261.A O no hydrogen 2.635 N/A ARG 267.A NH1 GLU 193.A OE1 no hydrogen 3.317 N/A ARG 267.A NH1 GLU 193.A OE2 no hydrogen 3.128 N/A ARG 267.A NH1 GLN 203.A O no hydrogen 2.850 N/A ARG 267.A NH2 GLU 193.A OE2 no hydrogen 2.490 N/A ARG 267.A NH2 HIS 261.A O no hydrogen 3.103 N/A ARG 267.A NH2 ALA 262.A O no hydrogen 3.268 N/A THR 269.A N GLN 272.A OE1 no hydrogen 3.131 N/A GLN 272.A N THR 269.A OG1 no hydrogen 3.165 N/A LEU 273.A N THR 269.A O no hydrogen 3.087 N/A VAL 274.A N PHE 270.A O no hydrogen 3.034 N/A GLU 275.A N LYS 271.A O no hydrogen 3.195 N/A ASP 276.A N GLN 272.A O no hydrogen 2.924 N/A LEU 277.A N LEU 273.A O no hydrogen 2.825 N/A ASP 278.A N VAL 274.A O no hydrogen 2.757 N/A ARG 279.A N GLU 275.A O no hydrogen 3.093 N/A ARG 279.A NH1 GLU 251.A OE1 no hydrogen 2.917 N/A ARG 279.A NH2 GLU 251.A OE1 no hydrogen 3.305 N/A ARG 279.A NH2 ASP 276.A OD1 no hydrogen 3.529 N/A ILE 280.A N ASP 276.A O no hydrogen 2.892 N/A LEU 281.A N LEU 277.A O no hydrogen 2.810 N/A THR 282.A N ASP 278.A O no hydrogen 2.892 N/A THR 282.A OG1 ASP 278.A O no hydrogen 2.774 N/A LEU 283.A N ARG 279.A O no hydrogen 3.011 N/A THR 284.A N ILE 280.A O no hydrogen 2.898 N/A THR 284.A OG1 ILE 280.A O no hydrogen 2.833 N/A