Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u4w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 70.A O no hydrogen 2.962 N/A ARG 6.A NH1 PRO 75.A O no hydrogen 2.768 N/A ARG 6.A NH2 GLU 73.A O no hydrogen 2.811 N/A ARG 6.A NH2 PRO 75.A O no hydrogen 3.491 N/A SER 8.A N PRO 5.A O no hydrogen 2.972 N/A SER 8.A OG PRO 5.A O no hydrogen 2.645 N/A LEU 9.A N ARG 6.A O no hydrogen 3.208 N/A ARG 10.A N THR 27.A O no hydrogen 2.853 N/A ARG 10.A NH2 GLU 7.A O no hydrogen 2.587 N/A ARG 10.A NH2 LEU 9.A O no hydrogen 3.113 N/A GLU 12.A N MET 25.A O no hydrogen 2.872 N/A VAL 13.A N MET 25.A O no hydrogen 3.062 N/A LYS 14.A NZ GLN 17.A OE1 no hydrogen 2.818 N/A LYS 14.A NZ GLU 22.A OE2 no hydrogen 2.959 N/A LEU 15.A N VAL 23.A O no hydrogen 2.842 N/A GLY 16.A N VAL 23.A O no hydrogen 3.330 N/A GLY 18.A N GLY 21.A O no hydrogen 2.851 N/A GLU 22.A N THR 38.A O no hydrogen 3.023 N/A VAL 23.A N GLY 16.A O no hydrogen 2.965 N/A TRP 24.A N ILE 36.A O no hydrogen 2.863 N/A TRP 24.A NE1 THR 38.A OG1 no hydrogen 3.207 N/A MET 25.A N VAL 13.A O no hydrogen 2.681 N/A GLY 26.A N VAL 34.A O no hydrogen 2.856 N/A THR 27.A N ARG 10.A O no hydrogen 2.967 N/A THR 27.A OG1 GLU 12.A OE2 no hydrogen 2.662 N/A TRP 28.A N THR 32.A O no hydrogen 2.779 N/A ASN 29.A N SER 8.A O no hydrogen 2.832 N/A THR 31.A N TRP 28.A O no hydrogen 3.190 N/A THR 31.A OG1 THR 32.A OG1 no hydrogen 3.182 N/A THR 32.A N TRP 28.A O no hydrogen 3.082 N/A THR 32.A OG1 THR 31.A OG1 no hydrogen 3.182 N/A ARG 33.A NH1 GLU 12.A OE1 no hydrogen 3.116 N/A ARG 33.A NH1 GLY 26.A O no hydrogen 3.044 N/A VAL 34.A N GLY 26.A O no hydrogen 2.979 N/A ALA 35.A N THR 80.A O no hydrogen 2.923 N/A ILE 36.A N TRP 24.A O no hydrogen 2.828 N/A LYS 37.A N ILE 78.A O no hydrogen 2.852 N/A LYS 37.A NZ ASP 146.A OD1 no hydrogen 2.610 N/A LYS 37.A NZ ASP 146.A OD2 no hydrogen 3.342 N/A THR 38.A N GLU 22.A O no hydrogen 2.827 N/A THR 38.A OG1 GLU 22.A O no hydrogen 3.440 N/A LEU 39.A N ILE 76.A O no hydrogen 2.888 N/A LYS 40.A N PHE 20.A O no hydrogen 3.046 N/A LYS 40.A NZ CYS 19.A O no hydrogen 3.363 N/A GLY 42.A N GLU 74.A OE2 no hydrogen 2.772 N/A THR 43.A N LYS 40.A O no hydrogen 3.198 N/A THR 43.A OG1 LYS 40.A O no hydrogen 2.546 N/A ALA 48.A N SER 45.A OG no hydrogen 3.177 N/A PHE 49.A N SER 45.A O no hydrogen 2.753 N/A LEU 50.A N PRO 46.A O no hydrogen 2.862 N/A GLN 51.A N GLU 47.A O no hydrogen 3.007 N/A GLU 52.A N ALA 48.A O no hydrogen 3.066 N/A ALA 53.A N PHE 49.A O no hydrogen 2.786 N/A GLN 54.A N GLN 51.A O no hydrogen 3.248 N/A GLN 54.A NE2 ALA 1.A O no hydrogen 3.105 N/A GLN 54.A NE2 LEU 50.A O no hydrogen 3.055 N/A MET 56.A N GLU 52.A O no hydrogen 2.966 N/A LYS 57.A N ALA 53.A O no hydrogen 2.930 N/A LYS 57.A NZ LEU 67.A O no hydrogen 3.041 N/A LYS 58.A N VAL 55.A O no hydrogen 2.878 N/A LYS 58.A NZ TYR 124.A OH no hydrogen 2.650 N/A LEU 59.A N MET 56.A O no hydrogen 3.241 N/A ARG 60.A N TYR 118.A OH no hydrogen 3.003 N/A LYS 63.A N HIS 61.A ND1 no hydrogen 2.965 N/A LYS 63.A NZ GLN 111.A OE1 no hydrogen 2.779 N/A LEU 64.A N HIS 61.A O no hydrogen 3.115 N/A VAL 65.A N VAL 144.A O no hydrogen 2.943 N/A GLN 66.A N GLU 81.A OE1 no hydrogen 3.002 N/A TYR 68.A N VAL 79.A O no hydrogen 2.727 N/A ALA 69.A N VAL 79.A O no hydrogen 3.204 N/A VAL 70.A N TRP 2.A O no hydrogen 3.084 N/A VAL 71.A N TYR 77.A O no hydrogen 2.937 N/A SER 72.A N GLU 3.A OE2 no hydrogen 2.669 N/A SER 72.A OG GLU 3.A OE1 no hydrogen 2.873 N/A SER 72.A OG GLU 3.A OE2 no hydrogen 2.631 N/A SER 72.A OG GLU 73.A OE2 no hydrogen 3.219 N/A TYR 77.A N VAL 71.A O no hydrogen 3.038 N/A ILE 78.A N LYS 37.A O no hydrogen 2.798 N/A VAL 79.A N ALA 69.A O no hydrogen 2.800 N/A THR 80.A N ALA 35.A O no hydrogen 2.889 N/A THR 80.A OG1 GLU 81.A O no hydrogen 2.816 N/A GLU 81.A N GLN 66.A O no hydrogen 2.901 N/A LYS 85.A N VAL 136.A O no hydrogen 2.867 N/A LYS 85.A NZ GLU 138.A OE2 no hydrogen 3.122 N/A LEU 88.A N ILE 134.A O no hydrogen 2.827 N/A LEU 89.A N ALA 131.A O no hydrogen 3.193 N/A ASP 90.A N SER 87.A OG no hydrogen 3.096 N/A PHE 91.A N SER 87.A O no hydrogen 2.932 N/A LEU 92.A N LEU 88.A O no hydrogen 2.841 N/A LYS 93.A N LEU 89.A O no hydrogen 3.110 N/A GLY 94.A N PHE 91.A O no hydrogen 3.368 N/A GLY 97.A N GLY 94.A O no hydrogen 3.159 N/A TYR 99.A N MET 96.A O no hydrogen 2.832 N/A LEU 100.A N GLY 97.A O no hydrogen 3.319 N/A ARG 101.A N GLN 104.A OE1 no hydrogen 2.947 N/A ARG 101.A NH1 LYS 98.A O no hydrogen 2.615 N/A ARG 101.A NH1 LEU 100.A O no hydrogen 3.023 N/A ARG 101.A NH2 LYS 98.A O no hydrogen 3.442 N/A LEU 102.A N LEU 275.A O no hydrogen 2.807 N/A LEU 105.A N ARG 101.A O no hydrogen 3.085 N/A VAL 106.A N LEU 102.A O no hydrogen 2.727 N/A ASP 107.A N PRO 103.A O no hydrogen 3.070 N/A MET 108.A N GLN 104.A O no hydrogen 2.891 N/A ALA 109.A N LEU 105.A O no hydrogen 2.942 N/A ALA 110.A N VAL 106.A O no hydrogen 2.876 N/A GLN 111.A N ASP 107.A O no hydrogen 3.014 N/A GLN 111.A NE2 ASP 107.A O no hydrogen 3.679 N/A GLN 111.A NE2 ASP 107.A OD2 no hydrogen 3.099 N/A GLN 111.A NE2 LEU 140.A O no hydrogen 2.985 N/A ILE 112.A N MET 108.A O no hydrogen 3.046 N/A ALA 113.A N ALA 109.A O no hydrogen 2.847 N/A SER 114.A N ALA 110.A O no hydrogen 2.956 N/A GLY 115.A N GLN 111.A O no hydrogen 3.128 N/A MET 116.A N ILE 112.A O no hydrogen 2.944 N/A ALA 117.A N ALA 113.A O no hydrogen 2.715 N/A TYR 118.A N SER 114.A O no hydrogen 3.195 N/A TYR 118.A OH LYS 58.A O no hydrogen 3.245 N/A VAL 119.A N GLY 115.A O no hydrogen 3.165 N/A GLU 120.A N MET 116.A O no hydrogen 2.852 N/A ARG 121.A N ALA 117.A O no hydrogen 2.875 N/A MET 122.A N TYR 118.A O no hydrogen 2.883 N/A ASN 123.A N GLU 120.A O no hydrogen 3.069 N/A TYR 124.A N VAL 119.A O no hydrogen 2.996 N/A HIS 126.A N ASP 186.A OD2 no hydrogen 2.671 N/A HIS 126.A NE2 ALA 145.A O no hydrogen 2.783 N/A ARG 127.A N ASP 186.A OD1 no hydrogen 2.896 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 2.954 N/A ARG 130.A NE ASP 128.A OD1 no hydrogen 2.725 N/A ARG 130.A NH2 ASP 128.A OD1 no hydrogen 3.551 N/A ARG 130.A NH2 ASP 128.A OD2 no hydrogen 2.940 N/A ALA 131.A N GLU 196.A OE2 no hydrogen 2.892 N/A ASN 133.A N ARG 130.A O no hydrogen 2.903 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.865 N/A ILE 134.A N ALA 131.A O no hydrogen 3.201 N/A LEU 135.A N LYS 143.A O no hydrogen 2.877 N/A VAL 136.A N GLY 86.A O no hydrogen 2.918 N/A GLY 137.A N VAL 141.A O no hydrogen 2.799 N/A VAL 141.A N GLU 138.A O no hydrogen 3.363 N/A CYS 142.A N GLN 111.A OE1 no hydrogen 2.952 N/A LYS 143.A N LEU 135.A O no hydrogen 2.922 N/A LYS 143.A NZ GLU 81.A OE2 no hydrogen 2.487 N/A VAL 144.A N LYS 63.A O no hydrogen 2.871 N/A ALA 145.A N ASN 133.A O no hydrogen 3.047 N/A LEU 149.A N ASP 146.A O no hydrogen 3.469 N/A ARG 151.A NH2 GLU 52.A OE1 no hydrogen 2.755 N/A LEU 152.A N LEU 149.A O no hydrogen 2.937 N/A ILE 153.A N ALA 150.A O no hydrogen 3.426 N/A GLU 154.A N THR 43.A O no hydrogen 2.836 N/A TYR 158.A N ASP 155.A OD2 no hydrogen 3.046 N/A THR 159.A N ASP 155.A O no hydrogen 2.900 N/A THR 159.A OG1 ASP 155.A O no hydrogen 3.525 N/A THR 159.A OG1 ASN 156.A O no hydrogen 2.949 N/A ALA 160.A N GLU 157.A O no hydrogen 2.842 N/A ARG 161.A N TYR 158.A O no hydrogen 2.838 N/A ARG 161.A NE ALA 176.A O no hydrogen 2.839 N/A ARG 161.A NH2 LEU 177.A O no hydrogen 2.904 N/A GLN 162.A N GLU 157.A O no hydrogen 3.195 N/A LYS 165.A NZ ASP 155.A OD1 no hydrogen 3.027 N/A PHE 166.A N GLY 163.A O no hydrogen 3.435 N/A ILE 168.A N PHE 166.A O no hydrogen 2.733 N/A LYS 169.A NZ PRO 204.A O no hydrogen 3.179 N/A LYS 169.A NZ TYR 205.A O no hydrogen 2.987 N/A LYS 169.A NZ MET 208.A O no hydrogen 2.910 N/A TRP 170.A N PRO 167.A O no hydrogen 3.006 N/A TRP 170.A NE1 GLU 196.A OE1 no hydrogen 2.978 N/A THR 171.A N ILE 168.A O no hydrogen 3.198 N/A THR 171.A OG1 PRO 167.A O no hydrogen 2.720 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.854 N/A ALA 176.A N ALA 172.A O no hydrogen 2.812 N/A LEU 177.A N PRO 173.A O no hydrogen 2.803 N/A TYR 178.A N GLU 174.A O no hydrogen 3.081 N/A GLY 179.A N ALA 175.A O no hydrogen 2.808 N/A ARG 180.A N GLU 174.A O no hydrogen 3.221 N/A PHE 181.A N GLY 179.A O no hydrogen 3.062 N/A THR 182.A N SER 185.A OG no hydrogen 2.775 N/A LYS 184.A N THR 182.A OG1 no hydrogen 3.046 N/A LYS 184.A NZ ARG 248.A O no hydrogen 2.892 N/A LYS 184.A NZ PRO 249.A O no hydrogen 3.193 N/A SER 185.A N THR 182.A OG1 no hydrogen 3.217 N/A SER 185.A OG THR 182.A O no hydrogen 2.777 N/A ASP 186.A N THR 182.A O no hydrogen 3.111 N/A VAL 187.A N ILE 183.A O no hydrogen 2.909 N/A TRP 188.A N LYS 184.A O no hydrogen 3.192 N/A SER 189.A N SER 185.A O no hydrogen 3.121 N/A SER 189.A OG TRP 170.A O no hydrogen 2.750 N/A SER 189.A OG SER 185.A O no hydrogen 3.250 N/A PHE 190.A N ASP 186.A O no hydrogen 2.889 N/A GLY 191.A N VAL 187.A O no hydrogen 3.028 N/A ILE 192.A N TRP 188.A O no hydrogen 3.110 N/A LEU 193.A N SER 189.A O no hydrogen 2.773 N/A LEU 194.A N PHE 190.A O no hydrogen 2.861 N/A THR 195.A N GLY 191.A O no hydrogen 3.301 N/A GLU 196.A N ILE 192.A O no hydrogen 2.914 N/A LEU 197.A N LEU 193.A O no hydrogen 2.850 N/A THR 198.A N LEU 194.A O no hydrogen 3.035 N/A THR 198.A OG1 LEU 194.A O no hydrogen 2.881 N/A THR 198.A OG1 THR 195.A O no hydrogen 3.387 N/A THR 199.A N GLU 196.A O no hydrogen 3.380 N/A THR 199.A OG1 THR 195.A O no hydrogen 2.659 N/A THR 199.A OG1 GLU 196.A O no hydrogen 3.556 N/A LYS 200.A NZ GLY 97.A O no hydrogen 2.864 N/A LYS 200.A NZ LEU 100.A O no hydrogen 3.081 N/A LYS 200.A NZ ASN 274.A O no hydrogen 3.095 N/A GLY 201.A N GLU 196.A O no hydrogen 2.843 N/A ARG 202.A N THR 199.A O no hydrogen 3.292 N/A ARG 202.A NE VAL 203.A O no hydrogen 2.866 N/A MET 208.A N TYR 205.A O no hydrogen 2.995 N/A VAL 209.A N GLU 212.A OE1 no hydrogen 3.054 N/A VAL 213.A N VAL 209.A O no hydrogen 2.933 N/A LEU 214.A N ASN 210.A O no hydrogen 3.096 N/A ASP 215.A N ARG 211.A O no hydrogen 2.888 N/A GLN 216.A N GLU 212.A O no hydrogen 2.881 N/A VAL 217.A N VAL 213.A O no hydrogen 2.832 N/A GLU 218.A N LEU 214.A O no hydrogen 3.088 N/A ARG 219.A N ASP 215.A O no hydrogen 3.112 N/A GLY 220.A N VAL 217.A O no hydrogen 2.959 N/A TYR 221.A N GLN 216.A O no hydrogen 2.849 N/A ARG 222.A NE TRP 241.A O no hydrogen 2.814 N/A ARG 222.A NH1 VAL 217.A O no hydrogen 2.941 N/A ARG 222.A NH1 TYR 221.A O no hydrogen 2.789 N/A ARG 222.A NH2 TRP 241.A O no hydrogen 2.886 N/A CYS 225.A SG PRO 226.A O no hydrogen 3.663 N/A CYS 225.A SG CYS 229.A O no hydrogen 2.923 N/A CYS 229.A N PRO 226.A O no hydrogen 3.047 N/A CYS 229.A SG PRO 230.A O no hydrogen 3.653 N/A SER 232.A OG TYR 261.A OH no hydrogen 2.670 N/A SER 232.A OG GLU 266.A OE2 no hydrogen 2.631 N/A LEU 233.A N PRO 230.A O no hydrogen 2.977 N/A HIS 234.A N PRO 230.A O no hydrogen 3.320 N/A HIS 234.A ND1 GLU 231.A OE2 no hydrogen 2.831 N/A HIS 234.A NE2 MET 223.A O no hydrogen 2.732 N/A ASP 235.A N GLU 231.A O no hydrogen 2.757 N/A LEU 236.A N SER 232.A O no hydrogen 3.186 N/A MET 237.A N LEU 233.A O no hydrogen 3.107 N/A CYS 238.A N HIS 234.A O no hydrogen 2.903 N/A CYS 238.A SG HIS 234.A O no hydrogen 3.465 N/A GLN 239.A N ASP 235.A O no hydrogen 2.926 N/A CYS 240.A N LEU 236.A O no hydrogen 3.070 N/A CYS 240.A SG LEU 236.A O no hydrogen 3.486 N/A TRP 241.A N MET 237.A O no hydrogen 2.969 N/A TRP 241.A N CYS 238.A O no hydrogen 3.118 N/A ARG 242.A N GLN 239.A O no hydrogen 3.241 N/A ARG 242.A NH1 GLU 247.A O no hydrogen 2.937 N/A GLU 246.A N ASP 244.A OD2 no hydrogen 3.172 N/A GLU 247.A N ASP 244.A O no hydrogen 2.991 N/A ARG 248.A N PRO 245.A O no hydrogen 3.156 N/A ARG 248.A NE ARG 242.A O no hydrogen 2.769 N/A ARG 248.A NH1 GLU 174.A OE2 no hydrogen 2.754 N/A ARG 248.A NH1 LYS 184.A O no hydrogen 2.995 N/A ARG 248.A NH2 GLU 174.A OE1 no hydrogen 2.876 N/A ARG 248.A NH2 GLU 174.A OE2 no hydrogen 3.528 N/A ARG 248.A NH2 ARG 242.A O no hydrogen 3.147 N/A PHE 251.A N GLU 120.A OE2 no hydrogen 2.792 N/A GLU 252.A N GLU 120.A OE1 no hydrogen 3.130 N/A TYR 253.A N THR 250.A OG1 no hydrogen 2.982 N/A LEU 254.A N THR 250.A O no hydrogen 2.925 N/A GLN 255.A N PHE 251.A O no hydrogen 2.810 N/A GLN 255.A NE2 GLU 259.A OE2 no hydrogen 3.005 N/A ALA 256.A N GLU 252.A O no hydrogen 3.309 N/A PHE 257.A N TYR 253.A O no hydrogen 2.904 N/A LEU 258.A N LEU 254.A O no hydrogen 3.046 N/A GLU 259.A N GLN 255.A O no hydrogen 2.896 N/A ASP 260.A N ALA 256.A O no hydrogen 3.087 N/A TYR 261.A N LEU 258.A O no hydrogen 3.304 N/A TYR 261.A OH SER 232.A OG no hydrogen 2.670 N/A THR 263.A N ASP 260.A O no hydrogen 3.155 N/A THR 263.A OG1 ASP 260.A O no hydrogen 3.344 N/A SER 264.A N ASP 260.A O no hydrogen 2.878 N/A THR 265.A N TYR 261.A O no hydrogen 3.018 N/A GLU 266.A N TYR 261.A O no hydrogen 2.780 N/A GLN 268.A N GLN 268.A OE1 no hydrogen 2.624 N/A TYR 269.A N GLU 266.A O no hydrogen 3.226 N/A TYR 269.A OH LEU 275.A O no hydrogen 2.516 N/A GLY 272.A N LEU 275.A OXT no hydrogen 2.740 N/A GLU 273.A N GLU 228.A OE1 no hydrogen 3.107 N/A ASN 274.A N GLU 228.A OE2 no hydrogen 2.726 N/A LEU 275.A N GLU 228.A OE2 no hydrogen 2.957 N/A