Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1exw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 1.A O no hydrogen 2.846 N/A LEU 8.A N HIS 39.A O no hydrogen 3.128 N/A VAL 9.A N ASN 83.A O no hydrogen 2.836 N/A ILE 10.A N LEU 41.A O no hydrogen 2.933 N/A TRP 11.A N MET 85.A O no hydrogen 3.166 N/A HIS 12.A ND1 GLY 13.A O no hydrogen 2.713 N/A HIS 12.A NE2 ASP 52.A OD1 no hydrogen 3.191 N/A GLY 15.A N SER 56.A OG no hydrogen 2.820 N/A ASP 16.A N GLY 13.A O no hydrogen 3.346 N/A SER 17.A N ASP 16.A OD1 no hydrogen 2.679 N/A CYS 18.A N ASP 52.A OD2 no hydrogen 3.028 N/A LEU 22.A N ASN 20.A OD1 no hydrogen 2.841 N/A SER 23.A N ASN 20.A O no hydrogen 2.931 N/A SER 23.A OG ASP 16.A OD1 no hydrogen 2.982 N/A SER 23.A OG ASP 16.A OD2 no hydrogen 3.218 N/A GLY 25.A N ASN 20.A O no hydrogen 3.136 N/A ILE 27.A N MET 24.A O no hydrogen 2.668 N/A LYS 28.A N MET 24.A O no hydrogen 2.821 N/A LYS 29.A N GLY 25.A O no hydrogen 3.141 N/A MET 30.A N ALA 26.A O no hydrogen 3.136 N/A VAL 31.A N ILE 27.A O no hydrogen 2.897 N/A GLU 32.A N LYS 28.A O no hydrogen 3.207 N/A LYS 33.A N LYS 29.A O no hydrogen 2.759 N/A LYS 33.A N MET 30.A O no hydrogen 3.119 N/A ILE 35.A N VAL 31.A O no hydrogen 3.112 N/A ILE 38.A N ILE 35.A O no hydrogen 2.932 N/A LEU 41.A N LEU 8.A O no hydrogen 2.865 N/A SER 42.A OG CYS 18.A O no hydrogen 2.662 N/A LEU 43.A N ILE 10.A O no hydrogen 2.968 N/A ILE 45.A N ASP 52.A OD1 no hydrogen 2.973 N/A LYS 47.A N GLU 51.A OE1 no hydrogen 2.886 N/A LYS 47.A NZ GLU 51.A OE2 no hydrogen 3.044 N/A ARG 50.A N THR 48.A OG1 no hydrogen 2.984 N/A GLU 51.A N THR 48.A O no hydrogen 3.200 N/A GLU 51.A N THR 48.A OG1 no hydrogen 3.087 N/A ASP 52.A N THR 48.A O no hydrogen 3.051 N/A VAL 53.A N LEU 49.A O no hydrogen 3.460 N/A GLU 54.A N ARG 50.A O no hydrogen 3.299 N/A ASN 55.A N GLU 51.A O no hydrogen 2.769 N/A ASN 55.A ND2 ILE 45.A O no hydrogen 2.877 N/A SER 56.A N ASP 52.A O no hydrogen 3.138 N/A SER 56.A N VAL 53.A O no hydrogen 3.146 N/A SER 56.A OG VAL 53.A O no hydrogen 2.630 N/A PHE 57.A N GLU 54.A O no hydrogen 3.211 N/A PHE 58.A N GLU 54.A O no hydrogen 2.947 N/A LEU 59.A N ASN 55.A O no hydrogen 3.299 N/A VAL 61.A N GLU 157.A OE1 no hydrogen 2.823 N/A ASN 62.A ND2 ILE 173.A O no hydrogen 2.926 N/A SER 63.A N ASN 60.A OD1 no hydrogen 2.685 N/A SER 63.A OG ASN 60.A OD1 no hydrogen 3.503 N/A GLN 64.A N ASN 60.A O no hydrogen 3.051 N/A GLN 64.A NE2 LEU 59.A O no hydrogen 2.642 N/A VAL 65.A N VAL 61.A O no hydrogen 2.905 N/A THR 66.A N ASN 62.A O no hydrogen 3.231 N/A THR 66.A OG1 ASN 62.A O no hydrogen 3.070 N/A THR 67.A N SER 63.A O no hydrogen 3.237 N/A THR 67.A OG1 SER 63.A O no hydrogen 3.055 N/A VAL 68.A N GLN 64.A O no hydrogen 2.855 N/A CYS 69.A N VAL 65.A O no hydrogen 2.930 N/A CYS 69.A SG VAL 65.A O no hydrogen 3.118 N/A GLN 70.A N THR 66.A O no hydrogen 3.097 N/A ILE 71.A N THR 67.A O no hydrogen 3.071 N/A LEU 72.A N VAL 68.A O no hydrogen 2.958 N/A ALA 73.A N CYS 69.A O no hydrogen 3.202 N/A LYS 74.A N GLN 70.A O no hydrogen 3.221 N/A ASP 75.A N LEU 72.A O no hydrogen 3.370 N/A LYS 77.A N ASP 75.A OD1 no hydrogen 3.061 N/A LEU 78.A N ASP 75.A O no hydrogen 3.387 N/A GLN 79.A N PRO 76.A O no hydrogen 3.170 N/A GLN 79.A NE2 LEU 72.A O no hydrogen 3.211 N/A GLN 79.A NE2 ASP 75.A O no hydrogen 2.935 N/A GLY 81.A N LEU 78.A O no hydrogen 2.865 N/A TYR 82.A N PRO 105.A O no hydrogen 3.125 N/A ASN 83.A N PRO 7.A O no hydrogen 2.864 N/A ALA 84.A N ASN 108.A O no hydrogen 2.856 N/A MET 85.A N VAL 9.A O no hydrogen 2.796 N/A GLY 86.A N ILE 110.A O no hydrogen 2.886 N/A PHE 87.A N TRP 11.A O no hydrogen 3.104 N/A SER 88.A N VAL 112.A O no hydrogen 2.998 N/A SER 88.A OG HIS 262.A NE2 no hydrogen 3.185 N/A GLN 89.A NE2 SER 56.A O no hydrogen 3.005 N/A GLY 90.A N PHE 87.A O no hydrogen 3.007 N/A GLY 91.A N SER 88.A O no hydrogen 2.733 N/A GLN 92.A N GLN 92.A OE1 no hydrogen 3.064 N/A GLN 92.A NE2 GLN 115.A OE1 no hydrogen 3.156 N/A PHE 93.A N GLN 89.A O no hydrogen 3.212 N/A LEU 94.A N GLY 90.A O no hydrogen 3.141 N/A ARG 95.A N GLY 91.A O no hydrogen 3.246 N/A ARG 95.A NE GLN 99.A OE1 no hydrogen 3.011 N/A ARG 95.A NH2 GLN 99.A OE1 no hydrogen 3.440 N/A ARG 95.A NH2 ASN 179.A OD1 no hydrogen 2.468 N/A ALA 96.A N GLN 92.A O no hydrogen 2.976 N/A VAL 97.A N PHE 93.A O no hydrogen 3.110 N/A ALA 98.A N LEU 94.A O no hydrogen 3.118 N/A GLN 99.A N ARG 95.A O no hydrogen 2.991 N/A GLN 99.A NE2 ILE 178.A O no hydrogen 3.039 N/A ARG 100.A N ALA 96.A O no hydrogen 2.767 N/A ARG 100.A NE TYR 188.A OH no hydrogen 3.075 N/A ARG 100.A NH1 ASN 62.A OD1 no hydrogen 2.780 N/A ARG 100.A NH2 ASN 62.A OD1 no hydrogen 2.979 N/A ARG 100.A NH2 ASP 177.A OD2 no hydrogen 2.728 N/A CYS 101.A N VAL 97.A O no hydrogen 2.906 N/A CYS 101.A SG VAL 97.A O no hydrogen 3.409 N/A VAL 107.A N TYR 82.A O no hydrogen 2.849 N/A ASN 108.A N ASN 83.A OD1 no hydrogen 2.864 N/A ASN 108.A ND2 PHE 277.A O no hydrogen 3.082 N/A LEU 109.A N LYS 197.A O no hydrogen 2.878 N/A ILE 110.A N ALA 84.A O no hydrogen 2.741 N/A SER 111.A N VAL 199.A O no hydrogen 2.703 N/A SER 111.A OG HIS 116.A NE2 no hydrogen 3.068 N/A VAL 112.A N GLY 86.A O no hydrogen 2.975 N/A GLY 113.A N VAL 201.A O no hydrogen 2.945 N/A GLN 115.A N GLN 92.A OE1 no hydrogen 2.909 N/A GLN 115.A NE2 GLY 113.A O no hydrogen 2.779 N/A HIS 116.A N SER 214.A O no hydrogen 3.113 N/A GLN 117.A N SER 214.A OG no hydrogen 2.982 N/A GLY 118.A N GLN 115.A O no hydrogen 3.057 N/A VAL 119.A N TYR 158.A O no hydrogen 3.004 N/A PHE 120.A N ASP 210.A O no hydrogen 2.789 N/A ARG 124.A N THR 207.A O no hydrogen 2.852 N/A CYS 125.A N LEU 122.A O no hydrogen 3.101 N/A SER 130.A N GLY 127.A O no hydrogen 3.525 N/A SER 130.A OG PRO 126.A O no hydrogen 3.312 N/A ASP 134.A N SER 130.A O no hydrogen 3.322 N/A PHE 135.A N HIS 131.A O no hydrogen 2.889 N/A ILE 136.A N ILE 132.A O no hydrogen 3.133 N/A ARG 137.A NE ASP 134.A OD1 no hydrogen 3.246 N/A ARG 137.A NH1 PHE 120.A O no hydrogen 3.015 N/A ARG 137.A NH2 ASP 134.A OD1 no hydrogen 3.067 N/A ARG 137.A NH2 ALA 225.A O no hydrogen 3.019 N/A LYS 138.A N ASP 134.A O no hydrogen 3.309 N/A LYS 138.A NZ ASP 134.A OD2 no hydrogen 3.225 N/A THR 139.A N PHE 135.A O no hydrogen 2.931 N/A THR 139.A OG1 PHE 135.A O no hydrogen 3.066 N/A THR 139.A OG1 ILE 136.A O no hydrogen 2.623 N/A LEU 140.A N ILE 136.A O no hydrogen 2.815 N/A LEU 140.A N ARG 137.A O no hydrogen 3.323 N/A ASN 141.A ND2 ASP 161.A OD2 no hydrogen 2.545 N/A ALA 144.A N LEU 140.A O no hydrogen 2.703 N/A TYR 145.A N ASN 141.A O no hydrogen 2.811 N/A ASN 146.A N GLY 143.A O no hydrogen 3.015 N/A ALA 148.A N ASN 146.A OD1 no hydrogen 2.746 N/A ILE 149.A N ASN 146.A OD1 no hydrogen 3.299 N/A GLN 150.A N ASN 146.A O no hydrogen 2.784 N/A GLN 150.A NE2 ALA 144.A O no hydrogen 2.798 N/A GLN 150.A NE2 ALA 156.A O no hydrogen 3.163 N/A GLU 151.A N ALA 148.A O no hydrogen 3.365 N/A ARG 152.A N ILE 149.A O no hydrogen 3.148 N/A LEU 153.A N ILE 149.A O no hydrogen 3.034 N/A VAL 154.A N PHE 57.A O no hydrogen 3.033 N/A GLN 155.A NE2 SER 56.A O no hydrogen 3.252 N/A GLN 155.A NE2 GLN 89.A OE1 no hydrogen 2.986 N/A GLU 157.A N VAL 154.A O no hydrogen 2.932 N/A TYR 158.A N GLN 155.A O no hydrogen 3.284 N/A TYR 158.A OH GLN 89.A OE1 no hydrogen 2.725 N/A TRP 159.A N ALA 156.A O no hydrogen 3.203 N/A HIS 160.A N VAL 119.A O no hydrogen 2.791 N/A HIS 160.A ND1 GLN 117.A O no hydrogen 2.841 N/A HIS 160.A NE2 GLU 165.A OE2 no hydrogen 2.778 N/A ASP 161.A N TYR 145.A OH no hydrogen 2.770 N/A ILE 163.A N ASP 161.A OD1 no hydrogen 2.907 N/A ARG 164.A N ASP 161.A OD1 no hydrogen 3.339 N/A ILE 167.A N ARG 164.A O no hydrogen 3.229 N/A ILE 167.A N ASP 166.A OD1 no hydrogen 2.862 N/A TYR 168.A N ARG 164.A O no hydrogen 3.503 N/A ARG 169.A N GLU 165.A O no hydrogen 2.895 N/A ARG 169.A NE GLU 181.A OE1 no hydrogen 3.279 N/A ASN 170.A N ASP 166.A O no hydrogen 3.028 N/A HIS 171.A N TYR 168.A O no hydrogen 3.410 N/A SER 172.A N TYR 168.A O no hydrogen 3.037 N/A ILE 173.A N GLN 150.A OE1 no hydrogen 3.126 N/A LEU 175.A N GLU 157.A O no hydrogen 3.126 N/A ALA 176.A N SER 172.A OG no hydrogen 3.252 N/A ASP 177.A N PHE 174.A O no hydrogen 2.823 N/A ILE 178.A N PHE 174.A O no hydrogen 3.110 N/A ASN 179.A N LEU 175.A O no hydrogen 2.872 N/A ASN 179.A ND2 HIS 116.A O no hydrogen 2.980 N/A ASN 179.A ND2 GLN 117.A OE1 no hydrogen 3.017 N/A GLN 180.A N ASP 177.A O no hydrogen 3.112 N/A GLN 180.A NE2 ASN 185.A O no hydrogen 2.985 N/A GLN 180.A NE2 ARG 241.A O no hydrogen 2.694 N/A GLU 181.A N ALA 176.A O no hydrogen 3.012 N/A ARG 182.A NH2 SER 172.A O no hydrogen 2.440 N/A ASN 185.A N GLN 180.A OE1 no hydrogen 2.779 N/A SER 187.A OG ASN 185.A OD1 no hydrogen 2.654 N/A TYR 188.A N ASN 185.A OD1 no hydrogen 3.025 N/A TYR 188.A OH ASP 177.A OD2 no hydrogen 2.720 N/A LYS 189.A N ASN 185.A O no hydrogen 3.381 N/A LYS 189.A NZ ASP 240.A OD1 no hydrogen 3.175 N/A LYS 190.A N GLU 186.A O no hydrogen 3.188 N/A ASN 191.A N SER 187.A O no hydrogen 2.766 N/A ASN 191.A ND2 GLN 99.A O no hydrogen 2.919 N/A LEU 192.A N TYR 188.A O no hydrogen 2.973 N/A MET 193.A N LYS 189.A O no hydrogen 3.095 N/A ALA 194.A N LYS 190.A O no hydrogen 3.064 N/A LEU 195.A N LEU 192.A O no hydrogen 3.169 N/A LYS 196.A N VAL 107.A O no hydrogen 2.995 N/A PHE 198.A N GLN 252.A O no hydrogen 2.772 N/A VAL 199.A N LEU 109.A O no hydrogen 2.852 N/A MET 200.A N VAL 254.A O no hydrogen 2.932 N/A VAL 201.A N SER 111.A O no hydrogen 2.584 N/A LYS 202.A N LEU 256.A O no hydrogen 2.853 N/A PHE 203.A N GLU 215.A OE1 no hydrogen 2.999 N/A LEU 204.A N LEU 258.A O no hydrogen 3.263 N/A ASN 205.A N GLY 260.A O no hydrogen 2.914 N/A ASP 206.A N PHE 203.A O no hydrogen 3.049 N/A THR 207.A N ASP 261.A OD1 no hydrogen 2.893 N/A THR 207.A OG1 ASP 261.A OD1 no hydrogen 2.949 N/A THR 207.A OG1 ASP 261.A OD2 no hydrogen 3.207 N/A ILE 208.A N ASP 206.A OD1 no hydrogen 3.040 N/A VAL 209.A N ASP 206.A OD1 no hydrogen 3.020 N/A SER 214.A N PRO 211.A O no hydrogen 3.064 N/A SER 214.A OG GLY 118.A O no hydrogen 2.798 N/A GLU 215.A N VAL 212.A O no hydrogen 3.033 N/A TRP 216.A N ASP 213.A O no hydrogen 2.886 N/A TRP 216.A NE1 LEU 256.A O no hydrogen 2.865 N/A PHE 217.A N SER 214.A O no hydrogen 3.240 N/A GLY 218.A N ASP 213.A O no hydrogen 2.772 N/A PHE 219.A N ILE 229.A O no hydrogen 3.228 N/A TYR 220.A OH ASP 210.A OD1 no hydrogen 2.389 N/A ARG 221.A N GLU 227.A O no hydrogen 2.845 N/A SER 222.A OG GLU 165.A OE1 no hydrogen 2.759 N/A GLY 223.A N PRO 162.A O no hydrogen 3.051 N/A GLN 224.A N ARG 221.A O no hydrogen 3.433 N/A GLN 224.A NE2 ARG 221.A O no hydrogen 2.697 N/A GLN 224.A NE2 GLU 227.A O no hydrogen 2.926 N/A LYS 226.A N GLN 224.A OE1 no hydrogen 2.748 N/A GLU 227.A N GLN 224.A OE1 no hydrogen 2.777 N/A THR 228.A OG1 ASP 213.A OD2 no hydrogen 2.950 N/A ILE 229.A N PHE 219.A O no hydrogen 2.925 N/A GLN 232.A N GLN 232.A OE1 no hydrogen 2.641 N/A GLU 233.A N PRO 230.A O no hydrogen 2.992 N/A SER 234.A N LEU 231.A O no hydrogen 2.789 N/A SER 234.A OG LEU 231.A O no hydrogen 2.769 N/A TYR 237.A N SER 234.A O no hydrogen 3.086 N/A TYR 237.A OH ASP 248.A OD2 no hydrogen 2.933 N/A THR 238.A N SER 234.A O no hydrogen 2.861 N/A THR 238.A OG1 SER 234.A O no hydrogen 3.550 N/A GLN 239.A N THR 235.A O no hydrogen 2.934 N/A ARG 241.A N LEU 236.A O no hydrogen 3.048 N/A ARG 241.A NE GLN 180.A O no hydrogen 3.184 N/A ARG 241.A NH1 THR 235.A OG1 no hydrogen 3.210 N/A ARG 241.A NH2 ASN 179.A O no hydrogen 3.349 N/A ARG 241.A NH2 GLN 180.A O no hydrogen 3.566 N/A LYS 245.A NZ THR 238.A O no hydrogen 3.176 N/A ALA 246.A N ASP 240.A OD2 no hydrogen 2.935 N/A MET 247.A N GLY 243.A O no hydrogen 2.964 N/A ASP 248.A N LEU 244.A O no hydrogen 3.111 N/A LYS 249.A N LYS 245.A O no hydrogen 3.036 N/A ALA 250.A N ALA 246.A O no hydrogen 2.925 N/A GLY 251.A N ASP 248.A O no hydrogen 2.993 N/A GLN 252.A N MET 247.A O no hydrogen 2.937 N/A GLN 252.A NE2 MET 193.A O no hydrogen 3.232 N/A VAL 254.A N PHE 198.A O no hydrogen 3.025 N/A LEU 256.A N MET 200.A O no hydrogen 3.084 N/A LEU 258.A N LYS 202.A O no hydrogen 3.229 N/A GLY 260.A N ASN 205.A OD1 no hydrogen 2.221 N/A ASP 261.A N GLN 264.A OE1 no hydrogen 2.778 N/A HIS 262.A N ASP 261.A OD1 no hydrogen 2.849 N/A HIS 262.A ND1 ASP 206.A OD2 no hydrogen 3.118 N/A GLN 264.A N ASP 261.A O no hydrogen 3.164 N/A TRP 269.A N SER 266.A OG no hydrogen 3.234 N/A PHE 270.A N SER 266.A O no hydrogen 3.182 N/A TYR 271.A N GLU 267.A O no hydrogen 3.259 N/A TYR 271.A OH GLU 267.A OE2 no hydrogen 2.134 N/A ALA 272.A N GLU 268.A O no hydrogen 2.852 N/A ILE 274.A N PHE 270.A O no hydrogen 3.183 N/A ILE 275.A N PHE 270.A O no hydrogen 3.184 N/A LEU 278.A N ILE 275.A O no hydrogen 2.843 N/A GLU 279.A N ILE 275.A O no hydrogen 2.950 N/A GLU 279.A N PRO 276.A O no hydrogen 3.024 N/A