Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ASP 201.A OD1 no hydrogen 3.295 N/A ARG 1.A NH1 LYS 199.A O no hydrogen 3.483 N/A ARG 1.A NH2 LYS 199.A O no hydrogen 3.007 N/A ARG 1.A NH2 ASP 201.A OD1 no hydrogen 2.681 N/A VAL 4.A N ARG 1.A O no hydrogen 3.179 N/A LEU 5.A N ARG 1.A O no hydrogen 3.006 N/A VAL 6.A N LEU 106.A O no hydrogen 2.877 N/A TRP 10.A N SER 7.A OG no hydrogen 3.014 N/A ALA 11.A N SER 7.A O no hydrogen 2.918 N/A GLU 12.A N ALA 8.A O no hydrogen 2.807 N/A SER 13.A N ASP 9.A O no hydrogen 2.981 N/A SER 13.A OG ASP 9.A O no hydrogen 3.199 N/A ASN 14.A N ALA 11.A O no hydrogen 3.000 N/A ASN 14.A ND2 TRP 10.A O no hydrogen 3.046 N/A ALA 17.A N ASN 14.A O no hydrogen 3.218 N/A VAL 21.A N THR 77.A O no hydrogen 2.936 N/A VAL 23.A N ILE 79.A O no hydrogen 2.782 N/A GLU 24.A N ILE 41.A O no hydrogen 2.757 N/A VAL 25.A N TYR 81.A O no hydrogen 2.906 N/A GLU 27.A N ASP 26.A OD1 no hydrogen 2.732 N/A THR 29.A OG1 ASP 33.A OD2 no hydrogen 2.684 N/A SER 30.A OG ASP 28.A OD2 no hydrogen 2.729 N/A ALA 31.A N ASP 28.A OD2 no hydrogen 3.049 N/A TYR 32.A OH ALA 40.A O no hydrogen 2.771 N/A ASP 33.A N THR 29.A O no hydrogen 2.678 N/A ARG 34.A N SER 30.A O no hydrogen 3.041 N/A ASP 35.A N ALA 31.A O no hydrogen 3.105 N/A HIS 36.A N SER 122.A O no hydrogen 2.922 N/A HIS 36.A ND1 TYR 32.A O no hydrogen 2.909 N/A ILE 37.A N TYR 81.A OH no hydrogen 3.006 N/A ALA 40.A N ILE 37.A O no hydrogen 2.965 N/A ILE 41.A N PHE 22.A O no hydrogen 2.991 N/A LYS 42.A NZ ASP 33.A OD1 no hydrogen 2.816 N/A LEU 43.A N GLU 24.A O no hydrogen 3.080 N/A ASP 44.A N ASP 48.A OD2 no hydrogen 2.781 N/A TRP 45.A N ASP 26.A O no hydrogen 3.154 N/A TRP 45.A NE1 TYR 95.A OH no hydrogen 2.952 N/A ARG 46.A N ASP 44.A OD1 no hydrogen 2.964 N/A THR 47.A N ASP 44.A OD1 no hydrogen 3.182 N/A ASP 48.A N ASP 44.A O no hydrogen 2.751 N/A LEU 49.A N ASP 44.A O no hydrogen 3.332 N/A ASP 51.A N ASP 56.A O no hydrogen 3.032 N/A VAL 53.A N ASP 51.A OD1 no hydrogen 2.814 N/A LYS 54.A N ASP 51.A OD1 no hydrogen 2.773 N/A ARG 55.A NH1 GLY 250.A O no hydrogen 3.454 N/A ARG 55.A NH1 THR 253.A OG1 no hydrogen 3.139 N/A ARG 55.A NH2 GLY 250.A O no hydrogen 2.972 N/A PHE 57.A N ASP 56.A OD2 no hydrogen 2.872 N/A VAL 58.A N LEU 49.A O no hydrogen 2.923 N/A ASP 59.A N GLN 62.A OE1 no hydrogen 3.246 N/A GLN 62.A N ASP 59.A OD1 no hydrogen 2.901 N/A PHE 63.A N ASP 59.A O no hydrogen 2.842 N/A SER 64.A N ALA 60.A O no hydrogen 2.847 N/A SER 64.A OG ALA 60.A O no hydrogen 2.702 N/A LYS 65.A N GLN 61.A O no hydrogen 3.081 N/A LYS 65.A NZ GLU 69.A OE2 no hydrogen 2.661 N/A LEU 66.A N GLN 62.A O no hydrogen 2.986 N/A LEU 67.A N PHE 63.A O no hydrogen 3.058 N/A SER 68.A N SER 64.A O no hydrogen 2.929 N/A SER 68.A OG SER 64.A O no hydrogen 2.702 N/A GLU 69.A N LYS 65.A O no hydrogen 3.020 N/A ARG 70.A N LEU 66.A O no hydrogen 3.002 N/A ARG 70.A N LEU 67.A O no hydrogen 3.121 N/A ARG 70.A NH1 LYS 42.A O no hydrogen 3.285 N/A ARG 70.A NH1 ASP 48.A OD2 no hydrogen 2.624 N/A ARG 70.A NH2 ASP 48.A OD1 no hydrogen 3.338 N/A GLY 71.A N SER 68.A O no hydrogen 3.256 N/A ILE 72.A N LEU 67.A O no hydrogen 2.813 N/A ALA 73.A N ASP 76.A OD2 no hydrogen 2.930 N/A ASN 74.A ND2 THR 134.A O no hydrogen 2.898 N/A ASP 76.A N ALA 73.A O no hydrogen 3.180 N/A THR 77.A N LYS 19.A O no hydrogen 2.759 N/A VAL 78.A N LYS 103.A O no hydrogen 2.796 N/A ILE 79.A N VAL 21.A O no hydrogen 2.834 N/A LEU 80.A N LYS 105.A O no hydrogen 2.838 N/A TYR 81.A N VAL 23.A O no hydrogen 3.158 N/A TYR 81.A OH GLU 24.A OE1 no hydrogen 2.534 N/A GLY 82.A N ASN 86.A OD1 no hydrogen 2.746 N/A ASN 84.A ND2 ASP 26.A OD1 no hydrogen 2.857 N/A ASN 86.A N GLY 83.A O no hydrogen 3.147 N/A ASN 86.A ND2 LEU 107.A O no hydrogen 3.144 N/A TRP 87.A N ASN 84.A O no hydrogen 3.249 N/A ALA 90.A N ASN 86.A O no hydrogen 2.968 N/A TYR 91.A N TRP 87.A O no hydrogen 3.197 N/A TYR 91.A OH ILE 225.A O no hydrogen 2.695 N/A ALA 92.A N PHE 88.A O no hydrogen 3.033 N/A TYR 93.A N ALA 89.A O no hydrogen 2.989 N/A TYR 93.A OH GLU 238.A OE1 no hydrogen 2.436 N/A TRP 94.A N ALA 90.A O no hydrogen 3.001 N/A TRP 94.A NE1 ILE 142.A O no hydrogen 2.806 N/A TYR 95.A N TYR 91.A O no hydrogen 2.838 N/A TYR 95.A OH GLN 50.A OE1 no hydrogen 2.968 N/A PHE 96.A N ALA 92.A O no hydrogen 2.742 N/A LYS 97.A N TYR 93.A O no hydrogen 2.899 N/A LYS 97.A NZ HIS 101.A O no hydrogen 2.756 N/A LEU 98.A N TRP 94.A O no hydrogen 2.851 N/A TYR 99.A N TYR 95.A O no hydrogen 3.084 N/A TYR 99.A OH VAL 58.A O no hydrogen 2.522 N/A GLY 100.A N LYS 97.A O no hydrogen 2.926 N/A HIS 101.A N PHE 96.A O no hydrogen 2.945 N/A HIS 101.A ND1 TYR 133.A OH no hydrogen 2.664 N/A HIS 101.A NE2 ASP 76.A O no hydrogen 2.984 N/A LYS 105.A N VAL 78.A O no hydrogen 2.887 N/A LYS 105.A NZ CYS 2.A O no hydrogen 2.836 N/A LEU 106.A N VAL 4.A O no hydrogen 2.934 N/A LEU 107.A N LEU 80.A O no hydrogen 2.862 N/A ASP 108.A N VAL 6.A O no hydrogen 2.679 N/A GLY 110.A N LEU 107.A O no hydrogen 2.837 N/A ARG 111.A N GLY 82.A O no hydrogen 3.039 N/A ARG 111.A NH1 GLU 24.A OE2 no hydrogen 2.783 N/A ARG 111.A NH1 ASP 35.A O no hydrogen 2.865 N/A ARG 111.A NH2 ASP 35.A OD1 no hydrogen 3.126 N/A ARG 111.A NH2 GLU 115.A OE2 no hydrogen 2.749 N/A LYS 113.A N GLY 109.A O no hydrogen 3.135 N/A LYS 113.A NZ ASP 117.A OD2 no hydrogen 2.816 N/A TRP 114.A N GLY 110.A O no hydrogen 3.213 N/A TRP 114.A NE1 PRO 120.A O no hydrogen 2.922 N/A GLU 115.A N ARG 111.A O no hydrogen 2.966 N/A LEU 116.A N LYS 112.A O no hydrogen 2.932 N/A ASP 117.A N LYS 113.A O no hydrogen 2.828 N/A GLY 118.A N GLU 115.A O no hydrogen 3.073 N/A ARG 119.A N TRP 114.A O no hydrogen 2.975 N/A ARG 119.A NE ASP 117.A OD2 no hydrogen 2.971 N/A ARG 119.A NH1 ASP 9.A OD1 no hydrogen 2.736 N/A ARG 119.A NH1 GLU 12.A OE2 no hydrogen 2.885 N/A ARG 119.A NH2 ASP 9.A OD1 no hydrogen 2.738 N/A ARG 119.A NH2 ASP 117.A OD2 no hydrogen 2.759 N/A SER 122.A N HIS 36.A O no hydrogen 2.625 N/A SER 123.A OG ARG 34.A O no hydrogen 3.360 N/A ASP 124.A N SER 122.A OG no hydrogen 3.160 N/A ARG 128.A NE GLY 71.A O no hydrogen 2.877 N/A THR 131.A N SER 68.A O no hydrogen 2.879 N/A THR 131.A OG1 SER 68.A O no hydrogen 3.348 N/A THR 131.A OG1 ILE 72.A O no hydrogen 2.881 N/A TYR 133.A N SER 68.A OG no hydrogen 2.695 N/A TYR 133.A OH HIS 101.A ND1 no hydrogen 2.664 N/A THR 134.A N ASN 74.A OD1 no hydrogen 2.949 N/A ALA 135.A N SER 64.A OG no hydrogen 2.828 N/A SER 136.A N TYR 99.A O no hydrogen 3.038 N/A ASP 139.A N LEU 98.A O no hydrogen 2.901 N/A THR 141.A N ASP 139.A OD1 no hydrogen 3.054 N/A THR 141.A OG1 ASP 139.A OD1 no hydrogen 2.587 N/A THR 141.A OG1 ASP 139.A OD2 no hydrogen 3.261 N/A ILE 142.A N ASP 139.A O no hydrogen 3.225 N/A ARG 143.A N ASN 140.A O no hydrogen 3.466 N/A ARG 143.A NE ASP 249.A OD1 no hydrogen 2.769 N/A ARG 143.A NH2 ASP 56.A OD2 no hydrogen 2.989 N/A ARG 143.A NH2 ASP 249.A OD1 no hydrogen 3.529 N/A ARG 143.A NH2 ASP 249.A OD2 no hydrogen 2.955 N/A ALA 144.A N ASN 247.A O no hydrogen 2.935 N/A PHE 145.A N GLU 148.A OE2 no hydrogen 2.940 N/A ARG 146.A NH1 GLU 254.A OE2 no hydrogen 2.937 N/A VAL 149.A N PHE 145.A O no hydrogen 3.181 N/A LEU 150.A N ARG 146.A O no hydrogen 3.007 N/A ALA 151.A N ASP 147.A O no hydrogen 3.065 N/A ALA 152.A N VAL 149.A O no hydrogen 3.085 N/A VAL 155.A N ALA 152.A O no hydrogen 2.899 N/A LYS 156.A N ALA 152.A O no hydrogen 2.884 N/A LYS 156.A NZ GLU 218.A OE1 no hydrogen 3.236 N/A ASN 157.A N GLU 218.A O no hydrogen 2.867 N/A ASN 157.A ND2 ASP 214.A O no hydrogen 2.954 N/A ASN 157.A ND2 GLU 218.A O no hydrogen 3.378 N/A ASN 157.A ND2 THR 219.A OG1 no hydrogen 2.995 N/A ILE 159.A N ILE 220.A O no hydrogen 2.802 N/A ASP 160.A N ILE 184.A O no hydrogen 2.810 N/A VAL 161.A N TYR 222.A O no hydrogen 2.934 N/A ARG 162.A N ASP 160.A OD1 no hydrogen 3.086 N/A ARG 162.A NE ASP 160.A OD1 no hydrogen 2.914 N/A ARG 162.A NE ASP 160.A OD2 no hydrogen 3.235 N/A ARG 162.A NH2 ASP 160.A OD2 no hydrogen 2.605 N/A ARG 162.A NH2 GLY 178.A O no hydrogen 2.828 N/A SER 163.A N GLU 166.A OE1 no hydrogen 3.189 N/A SER 163.A OG GLU 166.A OE1 no hydrogen 2.690 N/A GLU 166.A N SER 163.A OG no hydrogen 3.276 N/A PHE 167.A N SER 163.A O no hydrogen 2.998 N/A SER 168.A N PRO 164.A O no hydrogen 3.065 N/A GLY 169.A N GLU 166.A O no hydrogen 3.188 N/A LYS 170.A NZ ASP 165.A OD1 no hydrogen 3.335 N/A ILE 171.A N ASP 165.A O no hydrogen 2.956 N/A GLN 175.A NE2 TRP 252.A O no hydrogen 3.649 N/A HIS 179.A N GLU 264.A O no hydrogen 2.897 N/A HIS 179.A ND1 PHE 167.A O no hydrogen 2.578 N/A HIS 179.A NE2 GLU 264.A OE1 no hydrogen 2.651 N/A ILE 180.A N TYR 222.A OH no hydrogen 3.045 N/A GLY 182.A N GLU 264.A OE1 no hydrogen 3.348 N/A ALA 183.A N ILE 180.A O no hydrogen 2.930 N/A ILE 184.A N LEU 158.A O no hydrogen 2.920 N/A ASN 185.A ND2 ASP 160.A O no hydrogen 3.020 N/A ASN 185.A ND2 ARG 162.A O no hydrogen 2.992 N/A VAL 186.A N ASP 160.A O no hydrogen 2.747 N/A TRP 188.A N VAL 161.A O no hydrogen 3.150 N/A ARG 190.A N PRO 187.A O no hydrogen 3.132 N/A ALA 191.A N TRP 188.A O no hydrogen 3.199 N/A ALA 192.A N SER 189.A O no hydrogen 3.088 N/A ASN 193.A N THR 197.A O no hydrogen 2.795 N/A ASN 193.A ND2 THR 197.A O no hydrogen 3.514 N/A ASN 193.A ND2 THR 197.A OG1 no hydrogen 3.077 N/A GLY 196.A N ASN 193.A O no hydrogen 3.005 N/A THR 197.A N ASP 195.A OD1 no hydrogen 2.862 N/A THR 197.A OG1 ASP 195.A OD1 no hydrogen 2.633 N/A THR 197.A OG1 ASP 195.A OD2 no hydrogen 3.524 N/A PHE 198.A N ASP 108.A OD1 no hydrogen 2.923 N/A LYS 199.A N ALA 191.A O no hydrogen 2.878 N/A LYS 199.A NZ ASN 193.A OD1 no hydrogen 3.321 N/A SER 200.A N GLU 203.A OE1 no hydrogen 2.865 N/A GLU 203.A N SER 200.A OG no hydrogen 3.129 N/A LEU 204.A N SER 200.A O no hydrogen 2.830 N/A ALA 205.A N ASP 201.A O no hydrogen 2.792 N/A LYS 206.A N GLU 202.A O no hydrogen 3.233 N/A LYS 206.A NZ ASP 210.A OD2 no hydrogen 3.067 N/A LEU 207.A N GLU 203.A O no hydrogen 2.976 N/A TYR 208.A N LEU 204.A O no hydrogen 3.075 N/A ALA 209.A N ALA 205.A O no hydrogen 2.943 N/A ASP 210.A N LYS 206.A O no hydrogen 2.873 N/A ALA 211.A N LEU 207.A O no hydrogen 3.148 N/A GLY 212.A N ALA 209.A O no hydrogen 2.853 N/A LEU 213.A N TYR 208.A O no hydrogen 2.824 N/A ASP 214.A N ASN 157.A OD1 no hydrogen 2.736 N/A SER 216.A N ASP 214.A OD1 no hydrogen 2.791 N/A SER 216.A OG ASP 214.A OD1 no hydrogen 2.541 N/A LYS 217.A N ASP 214.A O no hydrogen 3.057 N/A LYS 217.A NZ ASN 154.A O no hydrogen 3.534 N/A THR 219.A N ASN 244.A O no hydrogen 2.938 N/A ILE 220.A N ASN 157.A O no hydrogen 2.836 N/A ALA 221.A N LYS 246.A O no hydrogen 2.935 N/A TYR 222.A N ILE 159.A O no hydrogen 2.896 N/A TYR 222.A OH ASP 160.A OD2 no hydrogen 2.622 N/A CYS 223.A N SER 251.A OG no hydrogen 2.926 N/A ARG 224.A NH1 GLU 166.A OE2 no hydrogen 3.189 N/A SER 229.A OG ASN 247.A OD1 no hydrogen 2.720 N/A SER 230.A N GLY 226.A O no hydrogen 3.207 N/A SER 230.A OG GLY 226.A O no hydrogen 3.206 N/A HIS 231.A N ARG 228.A O no hydrogen 3.252 N/A THR 232.A N ARG 228.A O no hydrogen 3.243 N/A TRP 233.A N SER 229.A O no hydrogen 2.733 N/A TRP 233.A NE1 VAL 245.A O no hydrogen 2.959 N/A PHE 234.A N SER 230.A O no hydrogen 2.916 N/A VAL 235.A N HIS 231.A O no hydrogen 3.091 N/A LEU 236.A N THR 232.A O no hydrogen 2.837 N/A ARG 237.A N TRP 233.A O no hydrogen 2.818 N/A ARG 237.A NH1 GLU 238.A OE2 no hydrogen 2.801 N/A GLU 238.A N PHE 234.A O no hydrogen 2.891 N/A LEU 239.A N PHE 234.A O no hydrogen 3.070 N/A LEU 240.A N VAL 235.A O no hydrogen 2.874 N/A HIS 242.A N LEU 236.A O no hydrogen 3.056 N/A LYS 246.A N THR 219.A O no hydrogen 3.012 N/A LYS 246.A NZ ASN 140.A O no hydrogen 3.065 N/A LYS 246.A NZ ARG 143.A O no hydrogen 3.268 N/A LYS 246.A NZ GLU 148.A OE1 no hydrogen 2.775 N/A ASN 247.A N ILE 142.A O no hydrogen 2.938 N/A ASN 247.A ND2 GLY 226.A O no hydrogen 3.178 N/A TYR 248.A N ALA 221.A O no hydrogen 3.039 N/A TYR 248.A OH GLU 254.A OE1 no hydrogen 2.661 N/A SER 251.A OG TYR 248.A O no hydrogen 2.735 N/A TRP 252.A N CYS 223.A O no hydrogen 3.108 N/A TRP 252.A NE1 ARG 176.A O no hydrogen 2.738 N/A THR 253.A N ARG 224.A O no hydrogen 3.060 N/A THR 253.A OG1 ARG 224.A O no hydrogen 2.850 N/A THR 253.A OG1 GLY 250.A O no hydrogen 3.423 N/A GLU 254.A N GLY 250.A O no hydrogen 3.435 N/A TYR 255.A N SER 251.A O no hydrogen 2.766 N/A TYR 255.A OH PRO 262.A O no hydrogen 2.579 N/A GLY 256.A N TRP 252.A O no hydrogen 2.600 N/A SER 257.A N GLU 254.A O no hydrogen 2.919 N/A SER 257.A OG THR 253.A O no hydrogen 3.076 N/A LEU 258.A N GLU 254.A O no hydrogen 3.131 N/A LEU 258.A N TYR 255.A O no hydrogen 3.318 N/A GLU 264.A N HIS 179.A O no hydrogen 2.923 N/A GLY 266.A N SER 168.A O no hydrogen 2.851 N/A