Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wse_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 240.A O no hydrogen 3.172 N/A MET 5.A N ILE 41.A O no hydrogen 3.033 N/A LYS 6.A N GLU 9.A OE2 no hydrogen 3.311 N/A LYS 6.A NZ GLU 40.A OE2 no hydrogen 3.270 N/A ALA 7.A N LYS 39.A O no hydrogen 3.047 N/A LYS 8.A N LEU 37.A O no hydrogen 3.011 N/A LYS 8.A NZ ASP 38.A OD1 no hydrogen 3.277 N/A GLU 9.A N LYS 6.A O no hydrogen 3.178 N/A ILE 10.A N LYS 6.A O no hydrogen 3.333 N/A ILE 11.A N ALA 7.A O no hydrogen 2.922 N/A GLU 12.A N LYS 8.A O no hydrogen 2.884 N/A PHE 13.A N GLU 9.A O no hydrogen 3.152 N/A ILE 14.A N ILE 10.A O no hydrogen 2.966 N/A GLU 15.A N ILE 11.A O no hydrogen 2.911 N/A THR 16.A N GLU 12.A O no hydrogen 2.989 N/A THR 16.A N PHE 13.A O no hydrogen 3.134 N/A THR 16.A OG1 GLU 12.A O no hydrogen 2.806 N/A PHE 17.A N PHE 13.A O no hydrogen 3.273 N/A ALA 18.A N ILE 14.A O no hydrogen 2.749 N/A LEU 22.A N PRO 19.A O no hydrogen 3.121 N/A ALA 23.A N LYS 20.A O no hydrogen 3.295 N/A ILE 24.A N THR 103.A OG1 no hydrogen 3.132 N/A ASP 27.A N ILE 24.A O no hydrogen 3.338 N/A ASN 28.A ND2 LEU 73.A O no hydrogen 2.954 N/A ILE 29.A N ASP 27.A O no hydrogen 2.738 N/A GLY 30.A N SER 100.A O no hydrogen 2.873 N/A GLN 32.A N LEU 98.A O no hydrogen 2.762 N/A GLN 32.A NE2 ASN 28.A O no hydrogen 2.983 N/A GLN 32.A NE2 GLY 30.A O no hydrogen 3.030 N/A VAL 33.A N LEU 98.A O no hydrogen 3.034 N/A ASP 38.A N ASN 36.A OD1 no hydrogen 2.696 N/A LYS 39.A NZ ASP 95.A OD2 no hydrogen 3.290 N/A ILE 41.A N MET 5.A O no hydrogen 2.469 N/A LYS 42.A N ASP 64.A OD2 no hydrogen 3.085 N/A LYS 43.A NZ GLU 61.A O no hydrogen 2.887 N/A LYS 43.A NZ GLU 242.A OE2 no hydrogen 3.393 N/A LEU 44.A N GLU 242.A O no hydrogen 2.847 N/A GLY 45.A N PHE 65.A O no hydrogen 2.887 N/A ILE 46.A N ILE 244.A O no hydrogen 2.786 N/A ALA 47.A N PHE 67.A O no hydrogen 2.770 N/A LEU 48.A N ASP 247.A OD1 no hydrogen 2.927 N/A LEU 48.A N ASP 247.A OD2 no hydrogen 3.028 N/A ASP 49.A N ASP 247.A OD2 no hydrogen 3.019 N/A SER 51.A OG SER 53.A OG no hydrogen 3.402 N/A SER 53.A OG SER 51.A OG no hydrogen 3.402 N/A VAL 54.A N SER 51.A OG no hydrogen 3.273 N/A ILE 55.A N SER 51.A O no hydrogen 3.002 N/A LYS 56.A N LEU 52.A O no hydrogen 2.927 N/A LYS 57.A N SER 53.A O no hydrogen 2.923 N/A LYS 57.A NZ LEU 246.A O no hydrogen 3.127 N/A ALA 58.A N VAL 54.A O no hydrogen 2.848 N/A GLU 59.A N ILE 55.A O no hydrogen 3.082 N/A LYS 60.A N LYS 56.A O no hydrogen 3.052 N/A GLU 61.A N LYS 57.A O no hydrogen 2.919 N/A GLY 62.A N GLU 59.A O no hydrogen 3.321 N/A VAL 63.A N ALA 58.A O no hydrogen 2.849 N/A ASP 64.A N LYS 43.A O no hydrogen 2.961 N/A PHE 65.A N LYS 43.A O no hydrogen 3.271 N/A LEU 66.A N ILE 97.A O no hydrogen 2.684 N/A PHE 67.A N GLY 45.A O no hydrogen 2.789 N/A THR 68.A N TYR 99.A O no hydrogen 3.010 N/A THR 68.A OG1 HIS 70.A O no hydrogen 2.766 N/A THR 68.A OG1 SER 100.A OG no hydrogen 2.962 N/A HIS 69.A N ALA 47.A O no hydrogen 3.065 N/A HIS 69.A ND1 ALA 101.A O no hydrogen 2.944 N/A HIS 70.A N LEU 48.A O no hydrogen 3.061 N/A HIS 70.A ND1 ASP 49.A OD1 no hydrogen 2.372 N/A LEU 72.A N GLN 32.A OE1 no hydrogen 2.979 N/A TYR 85.A N THR 81.A O no hydrogen 3.350 N/A LYS 86.A N GLY 82.A O no hydrogen 3.151 N/A LYS 87.A N VAL 83.A O no hydrogen 3.018 N/A LYS 87.A NZ PRO 50.A O no hydrogen 3.016 N/A LEU 88.A N ILE 84.A O no hydrogen 3.082 N/A LYS 89.A N TYR 85.A O no hydrogen 2.934 N/A LYS 89.A NZ GLU 93.A OE1 no hydrogen 3.492 N/A ILE 90.A N LYS 86.A O no hydrogen 3.221 N/A LEU 91.A N LYS 87.A O no hydrogen 3.144 N/A MET 92.A N LEU 88.A O no hydrogen 2.851 N/A GLU 93.A N LYS 89.A O no hydrogen 2.958 N/A ASN 94.A N ILE 90.A O no hydrogen 3.299 N/A ASN 94.A ND2 GLU 59.A OE2 no hydrogen 2.782 N/A ASN 94.A ND2 ILE 90.A O no hydrogen 2.610 N/A ASP 95.A N MET 92.A O no hydrogen 3.048 N/A ILE 96.A N LEU 91.A O no hydrogen 2.601 N/A ILE 97.A N ASP 64.A O no hydrogen 3.193 N/A LEU 98.A N VAL 33.A O no hydrogen 2.712 N/A TYR 99.A N LEU 66.A O no hydrogen 2.955 N/A TYR 99.A OH GLU 15.A OE2 no hydrogen 2.765 N/A SER 100.A N GLY 30.A O no hydrogen 2.988 N/A SER 100.A OG THR 68.A O no hydrogen 3.380 N/A SER 100.A OG THR 68.A OG1 no hydrogen 2.962 N/A SER 100.A OG HIS 70.A O no hydrogen 3.426 N/A HIS 102.A ND1 ASP 27.A OD1 no hydrogen 2.662 N/A THR 103.A N ASP 27.A OD2 no hydrogen 3.033 N/A THR 103.A OG1 ASP 27.A OD2 no hydrogen 2.577 N/A ASN 104.A ND2 ALA 18.A O no hydrogen 3.192 N/A LEU 105.A N HIS 102.A O no hydrogen 2.950 N/A ASP 106.A N HIS 102.A O no hydrogen 3.211 N/A ILE 107.A N THR 103.A O no hydrogen 2.906 N/A CYS 108.A N ASN 104.A O no hydrogen 3.288 N/A CYS 108.A SG PHE 17.A O no hydrogen 3.709 N/A CYS 108.A SG LEU 105.A O no hydrogen 3.716 N/A CYS 108.A SG LYS 109.A O no hydrogen 3.788 N/A ASN 110.A N ASP 114.A OD2 no hydrogen 3.033 N/A GLY 111.A N CYS 108.A O no hydrogen 2.975 N/A LEU 112.A N LEU 105.A O no hydrogen 3.059 N/A ASN 113.A N ASP 106.A O no hydrogen 3.440 N/A ASN 113.A ND2 ASP 106.A O no hydrogen 2.864 N/A ALA 115.A N GLY 111.A O no hydrogen 2.903 N/A LEU 116.A N LEU 112.A O no hydrogen 3.365 N/A ALA 117.A N ASN 113.A O no hydrogen 2.901 N/A GLU 118.A N ASP 114.A O no hydrogen 2.765 N/A LEU 119.A N ALA 115.A O no hydrogen 2.977 N/A TYR 120.A N LEU 116.A O no hydrogen 3.040 N/A TYR 120.A OH THR 150.A OG1 no hydrogen 2.559 N/A ASN 121.A N GLU 118.A O no hydrogen 3.069 N/A LEU 122.A N ALA 117.A O no hydrogen 3.044 N/A GLU 123.A N ILE 138.A O no hydrogen 2.894 N/A LYS 126.A N VAL 136.A O no hydrogen 2.802 N/A LYS 126.A NZ ASN 124.A OD1 no hydrogen 3.042 N/A LEU 128.A N GLY 134.A O no hydrogen 2.936 N/A TYR 129.A N LEU 133.A O no hydrogen 2.948 N/A GLY 132.A N ASN 131.A OD1 no hydrogen 2.557 N/A LEU 133.A N ASN 131.A OD1 no hydrogen 3.200 N/A ARG 135.A N VAL 174.A O no hydrogen 3.078 N/A ARG 135.A NE ASP 114.A OD1 no hydrogen 2.934 N/A ARG 135.A NH1 GLY 132.A O no hydrogen 3.178 N/A ARG 135.A NH1 GLY 134.A O no hydrogen 2.837 N/A ARG 135.A NH2 ILE 107.A O no hydrogen 2.757 N/A VAL 136.A N LYS 126.A O no hydrogen 2.791 N/A GLY 137.A N LEU 172.A O no hydrogen 3.041 N/A ILE 138.A N GLU 123.A O no hydrogen 3.191 N/A PHE 139.A N PHE 170.A O no hydrogen 2.964 N/A GLY 141.A N PHE 139.A O no hydrogen 2.777 N/A SER 142.A N GLU 145.A OE1 no hydrogen 3.047 N/A GLU 145.A N SER 142.A O no hydrogen 3.336 N/A PHE 146.A N SER 142.A O no hydrogen 3.302 N/A LEU 147.A N PHE 143.A O no hydrogen 2.984 N/A GLU 148.A N GLU 144.A O no hydrogen 3.220 N/A ILE 149.A N GLU 145.A O no hydrogen 3.269 N/A THR 150.A N PHE 146.A O no hydrogen 3.074 N/A THR 150.A OG1 TYR 120.A OH no hydrogen 2.559 N/A THR 150.A OG1 PHE 146.A O no hydrogen 2.958 N/A LYS 151.A N LEU 147.A O no hydrogen 2.854 N/A LYS 152.A N GLU 148.A O no hydrogen 3.004 N/A LYS 152.A NZ TYR 153.A OH no hydrogen 3.373 N/A TYR 153.A N ILE 149.A O no hydrogen 2.936 N/A ILE 154.A N THR 150.A O no hydrogen 2.937 N/A HIS 155.A N THR 150.A O no hydrogen 3.015 N/A LYS 156.A NZ LYS 151.A O no hydrogen 3.541 N/A ASN 157.A N HIS 155.A ND1 no hydrogen 3.277 N/A ILE 159.A N ASP 217.A O no hydrogen 3.036 N/A VAL 161.A N VAL 215.A O no hydrogen 2.872 N/A SER 163.A N VAL 161.A O no hydrogen 2.909 N/A SER 163.A OG ALA 208.A O no hydrogen 3.095 N/A SER 163.A OG LEU 213.A O no hydrogen 2.685 N/A LYS 164.A NZ ASP 193.A OD1 no hydrogen 3.150 N/A ASN 169.A N GLY 141.A O no hydrogen 3.114 N/A LYS 171.A N ASP 193.A OD2 no hydrogen 2.796 N/A LEU 172.A N GLY 137.A O no hydrogen 2.753 N/A ALA 173.A N VAL 194.A O no hydrogen 2.915 N/A VAL 174.A N ARG 135.A O no hydrogen 2.848 N/A LEU 175.A N LEU 196.A O no hydrogen 3.029 N/A SER 176.A N ASN 113.A OD1 no hydrogen 3.172 N/A SER 176.A OG ASP 106.A OD1 no hydrogen 3.382 N/A GLY 177.A N THR 223.A OG1 no hydrogen 2.951 N/A SER 181.A OG SER 183.A OG no hydrogen 3.234 N/A SER 181.A OG SER 184.A OG no hydrogen 2.801 N/A SER 183.A OG SER 181.A OG no hydrogen 3.234 N/A SER 184.A N SER 181.A OG no hydrogen 3.290 N/A SER 184.A OG TYR 129.A OH no hydrogen 3.138 N/A SER 184.A OG SER 181.A OG no hydrogen 2.801 N/A ILE 185.A N SER 181.A O no hydrogen 2.871 N/A LYS 186.A N GLN 182.A O no hydrogen 3.207 N/A TYR 187.A N SER 183.A O no hydrogen 3.122 N/A TYR 187.A OH LEU 128.A O no hydrogen 2.937 N/A VAL 188.A N SER 184.A O no hydrogen 2.853 N/A ALA 189.A N ILE 185.A O no hydrogen 2.886 N/A GLU 190.A N TYR 187.A O no hydrogen 3.241 N/A LYS 191.A N VAL 188.A O no hydrogen 2.750 N/A LYS 191.A NZ TYR 187.A OH no hydrogen 2.680 N/A ALA 192.A N VAL 188.A O no hydrogen 2.951 N/A ASP 193.A N LYS 171.A O no hydrogen 2.970 N/A VAL 194.A N LYS 171.A O no hydrogen 3.121 N/A TYR 195.A N VAL 214.A O no hydrogen 2.728 N/A TYR 195.A OH GLY 179.A O no hydrogen 2.663 N/A LEU 196.A N ALA 173.A O no hydrogen 2.789 N/A SER 197.A N VAL 216.A O no hydrogen 3.062 N/A SER 197.A OG LEU 175.A O no hydrogen 2.669 N/A SER 197.A OG GLY 177.A O no hydrogen 3.293 N/A ASP 199.A N ASP 217.A OD1 no hydrogen 3.201 N/A LEU 200.A N ASP 217.A OD2 no hydrogen 2.804 N/A SER 204.A OG LEU 180.A O no hydrogen 2.638 N/A LYS 205.A N THR 201.A O no hydrogen 3.105 N/A LYS 205.A NZ GLU 209.A OE2 no hydrogen 2.701 N/A ILE 206.A N HIS 202.A O no hydrogen 3.055 N/A LEU 207.A N HIS 203.A O no hydrogen 3.007 N/A ALA 208.A N SER 204.A O no hydrogen 2.914 N/A GLU 209.A N LYS 205.A O no hydrogen 3.057 N/A GLU 210.A N ILE 206.A O no hydrogen 3.036 N/A LEU 211.A N LEU 207.A O no hydrogen 3.114 N/A GLY 212.A N GLU 209.A O no hydrogen 3.351 N/A LEU 213.A N ALA 208.A O no hydrogen 2.959 N/A VAL 214.A N ASP 193.A O no hydrogen 3.132 N/A VAL 215.A N VAL 161.A O no hydrogen 3.354 N/A VAL 216.A N TYR 195.A O no hydrogen 2.781 N/A ASP 217.A N ILE 159.A O no hydrogen 2.853 N/A ALA 218.A N SER 197.A O no hydrogen 2.957 N/A THR 219.A N ASP 217.A OD1 no hydrogen 2.787 N/A THR 219.A OG1 ALA 218.A O no hydrogen 2.393 N/A HIS 220.A ND1 ASP 199.A OD2 no hydrogen 2.794 N/A TYR 221.A OH ASP 247.A O no hydrogen 2.566 N/A SER 222.A N THR 219.A OG1 no hydrogen 3.226 N/A SER 222.A OG ILE 154.A O no hydrogen 3.516 N/A SER 222.A OG THR 219.A OG1 no hydrogen 3.076 N/A THR 223.A N THR 219.A O no hydrogen 3.407 N/A THR 223.A OG1 THR 219.A O no hydrogen 3.186 N/A THR 223.A OG1 HIS 220.A O no hydrogen 3.180 N/A GLU 224.A N TYR 221.A O no hydrogen 3.219 N/A VAL 225.A N TYR 221.A O no hydrogen 2.972 N/A PHE 226.A N SER 222.A O no hydrogen 3.255 N/A LEU 228.A N GLU 224.A O no hydrogen 2.893 N/A LYS 229.A N VAL 225.A O no hydrogen 2.871 N/A PHE 231.A N GLY 227.A O no hydrogen 2.908 N/A LYS 232.A N LEU 228.A O no hydrogen 2.844 N/A GLU 233.A N LYS 229.A O no hydrogen 2.832 N/A PHE 234.A N LYS 230.A O no hydrogen 3.016 N/A LEU 235.A N PHE 231.A O no hydrogen 3.008 N/A SER 236.A N LYS 232.A O no hydrogen 2.939 N/A SER 236.A OG LYS 232.A O no hydrogen 2.961 N/A SER 237.A N GLU 233.A O no hydrogen 3.059 N/A SER 237.A OG GLU 233.A O no hydrogen 2.822 N/A ASN 238.A N LEU 235.A O no hydrogen 3.189 N/A ASN 238.A ND2 PHE 234.A O no hydrogen 2.633 N/A LEU 239.A N LEU 235.A O no hydrogen 2.871 N/A ILE 244.A N LEU 44.A O no hydrogen 2.892 N/A SER 245.A OG PHE 248.A OXT no hydrogen 2.660 N/A LEU 246.A N ILE 46.A O no hydrogen 2.867 N/A