Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g9w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 3.A OD1 no hydrogen 2.769 N/A THR 6.A N ASP 3.A O no hydrogen 3.454 N/A THR 6.A OG1 ASP 3.A O no hydrogen 2.990 N/A LYS 7.A N PRO 4.A O no hydrogen 3.383 N/A TYR 10.A N SER 17.A OG no hydrogen 2.950 N/A TYR 10.A OH ASP 12.A OD2 no hydrogen 2.720 N/A ASP 12.A N VAL 15.A O no hydrogen 2.956 N/A ASN 14.A N ASP 12.A OD1 no hydrogen 2.898 N/A VAL 15.A N ASP 12.A OD1 no hydrogen 2.960 N/A SER 17.A N TYR 10.A O no hydrogen 2.870 N/A SER 17.A OG PHE 8.A O no hydrogen 3.509 N/A SER 17.A OG TYR 10.A O no hydrogen 3.216 N/A ARG 18.A N ASP 16.A OD1 no hydrogen 2.813 N/A ARG 18.A NE ASP 16.A OD1 no hydrogen 3.069 N/A ARG 18.A NE ASP 16.A OD2 no hydrogen 3.306 N/A ARG 18.A NH1 ASP 16.A OD2 no hydrogen 2.866 N/A ASP 19.A N ASP 16.A O no hydrogen 3.243 N/A GLN 22.A N ASP 19.A OD1 no hydrogen 3.316 N/A LEU 23.A N ASP 19.A O no hydrogen 2.939 N/A ASN 24.A N PRO 20.A O no hydrogen 3.047 N/A LEU 25.A N VAL 21.A O no hydrogen 3.373 N/A LEU 26.A N GLN 22.A O no hydrogen 3.079 N/A TYR 27.A N LEU 23.A O no hydrogen 2.798 N/A VAL 28.A N ASN 24.A O no hydrogen 2.876 N/A GLN 29.A N LEU 25.A O no hydrogen 3.072 N/A GLN 29.A NE2 GLN 29.A O no hydrogen 3.289 N/A GLN 29.A NE2 ASP 33.A OD1 no hydrogen 3.141 N/A GLN 29.A NE2 ASP 33.A OD2 no hydrogen 3.367 N/A ALA 30.A N LEU 26.A O no hydrogen 3.053 N/A ARG 31.A N TYR 27.A O no hydrogen 2.878 N/A ARG 31.A NE ASP 32.A OD1 no hydrogen 3.233 N/A ARG 31.A NH2 ASP 32.A OD1 no hydrogen 2.966 N/A ASP 32.A N VAL 28.A O no hydrogen 3.019 N/A ASP 33.A N GLN 29.A O no hydrogen 3.108 N/A ILE 34.A N ALA 30.A O no hydrogen 3.185 N/A LEU 35.A N ARG 31.A O no hydrogen 2.787 N/A ASN 36.A N ASP 32.A O no hydrogen 2.868 N/A GLY 37.A N ILE 34.A O no hydrogen 3.314 N/A SER 38.A N ASN 36.A OD1 no hydrogen 3.165 N/A SER 38.A OG ASN 36.A OD1 no hydrogen 2.886 N/A HIS 39.A N ASP 33.A O no hydrogen 2.800 N/A HIS 39.A NE2 THR 119.A OG1 no hydrogen 2.690 N/A SER 42.A OG GLU 44.A OE1.A no hydrogen 3.502 N/A LYS 45.A N SER 42.A OG no hydrogen 3.253 N/A LYS 45.A NZ GLU 48.A OE2 no hydrogen 3.257 N/A ALA 46.A N SER 42.A O no hydrogen 2.935 N/A CYS 47.A N PHE 43.A O no hydrogen 3.161 N/A CYS 47.A SG PHE 43.A O no hydrogen 3.447 N/A CYS 47.A SG ALA 87.A O no hydrogen 3.966 N/A GLU 48.A N GLU 44.A O no hydrogen 3.271 N/A PHE 49.A N LYS 45.A O no hydrogen 2.850 N/A GLY 50.A N ALA 46.A O no hydrogen 2.802 N/A GLY 51.A N CYS 47.A O no hydrogen 2.909 N/A PHE 52.A N GLU 48.A O no hydrogen 3.202 N/A GLN 53.A N PHE 49.A O no hydrogen 2.807 N/A GLN 53.A NE2 GLN 57.A OE1 no hydrogen 2.953 N/A GLN 53.A NE2 GLU 75.A O no hydrogen 2.911 N/A ALA 54.A N GLY 50.A O no hydrogen 2.810 N/A GLN 55.A N GLY 51.A O no hydrogen 3.160 N/A GLN 55.A NE2 GLY 99.A O no hydrogen 3.131 N/A GLN 55.A NE2 MET 101.A O no hydrogen 2.964 N/A ILE 56.A N PHE 52.A O no hydrogen 2.944 N/A GLN 57.A N GLN 53.A O no hydrogen 2.928 N/A PHE 58.A N ALA 54.A O no hydrogen 2.755 N/A GLY 59.A N GLN 55.A O no hydrogen 2.885 N/A HIS 61.A ND1 HIS 95.A ND1 no hydrogen 3.106 N/A VAL 62.A N HIS 66.A ND1 no hydrogen 2.946 N/A LYS 65.A N VAL 62.A O no hydrogen 2.867 N/A HIS 66.A N VAL 62.A O no hydrogen 2.795 N/A LYS 67.A N LYS 65.A O no hydrogen 3.238 N/A LYS 67.A NZ HIS 64.A O no hydrogen 2.863 N/A GLY 69.A N GLU 88.A OE1 no hydrogen 3.087 N/A GLY 69.A N GLU 88.A OE2 no hydrogen 3.257 N/A PHE 70.A N LYS 67.A O no hydrogen 2.911 N/A LEU 71.A N GLU 88.A OE2 no hydrogen 2.962 N/A LYS 74.A NZ ASP 72.A OD1 no hydrogen 2.748 N/A LYS 74.A NZ ASP 72.A OD2 no hydrogen 2.900 N/A GLU 75.A N ASP 72.A O no hydrogen 2.821 N/A PHE 76.A N LEU 73.A O no hydrogen 2.870 N/A TYR 81.A N PRO 78.A O no hydrogen 2.957 N/A TYR 81.A OH VAL 41.A O no hydrogen 2.544 N/A ILE 82.A N LYS 79.A O no hydrogen 3.249 N/A GLN 84.A N TYR 81.A O no hydrogen 3.256 N/A ALA 87.A N GLN 84.A O no hydrogen 3.198 N/A ARG 90.A N GLY 86.A O no hydrogen 2.983 N/A ILE 91.A N ALA 87.A O no hydrogen 2.914 N/A PHE 92.A N GLU 88.A O no hydrogen 2.920 N/A GLN 93.A N LYS 89.A O no hydrogen 3.066 N/A GLN 93.A NE2.B ASN 97.A OD1 no hydrogen 3.233 N/A GLU 94.A N ARG 90.A O no hydrogen 3.121 N/A HIS 95.A N ILE 91.A O no hydrogen 2.805 N/A HIS 95.A NE2 GLY 59.A O no hydrogen 2.854 N/A LYS 96.A N PHE 92.A O no hydrogen 2.805 N/A ASN 97.A N GLN 93.A O no hydrogen 2.959 N/A CYS 98.A N HIS 95.A O no hydrogen 2.999 N/A CYS 98.A SG GLY 51.A O no hydrogen 4.002 N/A CYS 98.A SG GLU 94.A O no hydrogen 3.487 N/A GLY 99.A N LYS 96.A O no hydrogen 3.099 N/A MET 101.A N CYS 98.A O no hydrogen 3.165 N/A GLU 105.A N SER 102.A OG no hydrogen 2.991 N/A ALA 106.A N SER 102.A O no hydrogen 3.001 N/A LYS 107.A N GLU 103.A O no hydrogen 2.997 N/A LYS 107.A NZ ASN 24.A OD1 no hydrogen 2.776 N/A LYS 107.A NZ GLU 103.A OE2 no hydrogen 3.066 N/A VAL 108.A N ILE 104.A O no hydrogen 2.939 N/A LYS 109.A N GLU 105.A O no hydrogen 2.972 N/A LYS 109.A NZ GLU 105.A OE2 no hydrogen 3.068 N/A TYR 110.A N ALA 106.A O no hydrogen 2.896 N/A VAL 111.A N LYS 107.A O no hydrogen 3.047 N/A LYS 112.A N VAL 108.A O no hydrogen 2.876 N/A LEU 113.A N LYS 109.A O no hydrogen 2.966 N/A ALA 114.A N TYR 110.A O no hydrogen 3.041 N/A ARG 115.A N VAL 111.A O no hydrogen 3.047 N/A SER 116.A N LYS 112.A O no hydrogen 3.039 N/A SER 116.A N LEU 113.A O no hydrogen 3.118 N/A SER 116.A OG LEU 113.A O no hydrogen 2.661 N/A LEU 117.A N ALA 114.A O no hydrogen 3.322 N/A THR 119.A OG1 HIS 39.A NE2 no hydrogen 2.690 N/A TYR 120.A N LEU 117.A O no hydrogen 3.059 N/A VAL 122.A N THR 119.A O no hydrogen 3.239 N/A SER 123.A N ILE 144.A O no hydrogen 3.038 N/A PHE 125.A N LEU 142.A O no hydrogen 2.782 N/A VAL 127.A N ARG 140.A O no hydrogen 2.906 N/A LYS 128.A N GLN 193.A O no hydrogen 3.052 N/A GLU 129.A N VAL 138.A O no hydrogen 2.822 N/A LYS 130.A NZ MET 131.A O no hydrogen 3.137 N/A LYS 130.A NZ LYS 134.A O no hydrogen 2.873 N/A MET 131.A N LYS 136.A O no hydrogen 2.862 N/A LYS 134.A N MET 131.A O no hydrogen 3.000 N/A VAL 138.A N GLU 129.A O no hydrogen 2.885 N/A ARG 140.A N VAL 127.A O no hydrogen 2.839 N/A ARG 140.A NE GLU 129.A OE2 no hydrogen 2.793 N/A ARG 140.A NH1 GLU 129.A OE2 no hydrogen 3.310 N/A ARG 140.A NH2 GLU 154.A OE1 no hydrogen 3.373 N/A LEU 141.A N VAL 152.A O no hydrogen 2.921 N/A LEU 142.A N PHE 125.A O no hydrogen 2.848 N/A GLY 143.A N MET 150.A O no hydrogen 2.894 N/A ILE 144.A N SER 123.A O no hydrogen 2.924 N/A THR 145.A N SER 148.A O no hydrogen 2.881 N/A THR 145.A OG1 ASP 147.A OD1 no hydrogen 3.356 N/A THR 145.A OG1 SER 148.A O no hydrogen 3.454 N/A THR 145.A OG1 SER 148.A OG no hydrogen 2.915 N/A ASP 147.A N THR 145.A OG1 no hydrogen 3.046 N/A SER 148.A OG THR 145.A OG1 no hydrogen 2.915 N/A SER 148.A OG GLU 162.A OE2 no hydrogen 2.916 N/A VAL 149.A N TRP 163.A O no hydrogen 2.839 N/A MET 150.A N GLY 143.A O no hydrogen 2.952 N/A ARG 151.A N GLN 161.A O no hydrogen 2.884 N/A ARG 151.A NE GLN 161.A OE1 no hydrogen 2.970 N/A ARG 151.A NH1 GLU 129.A OE1 no hydrogen 3.337 N/A ARG 151.A NH2 GLN 161.A OE1 no hydrogen 3.460 N/A VAL 152.A N LEU 141.A O no hydrogen 2.757 N/A ASP 153.A N GLU 158.A O no hydrogen 2.922 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.695 N/A LYS 155.A N ASP 153.A OD1 no hydrogen 2.781 N/A THR 156.A N ASP 153.A OD1 no hydrogen 2.917 N/A LYS 157.A N ASP 153.A O no hydrogen 2.721 N/A LYS 157.A NZ GLU 80.A OE2 no hydrogen 2.356 N/A LYS 157.A NZ TYR 81.A OH no hydrogen 2.821 N/A LYS 157.A NZ GLU 154.A O no hydrogen 2.874 N/A LYS 157.A NZ LYS 155.A O no hydrogen 3.363 N/A GLU 158.A N THR 156.A OG1 no hydrogen 3.170 N/A LEU 160.A N ARG 151.A O no hydrogen 2.789 N/A GLN 161.A N ARG 151.A O no hydrogen 3.406 N/A TRP 163.A N VAL 149.A O no hydrogen 2.725 N/A LEU 165.A N ASP 147.A O no hydrogen 2.817 N/A THR 167.A N PRO 164.A O no hydrogen 2.816 N/A THR 167.A OG1 PRO 164.A O no hydrogen 2.687 N/A VAL 168.A N LEU 165.A O no hydrogen 3.292 N/A LYS 169.A N ASP 181.A O no hydrogen 2.823 N/A ARG 170.A N ASP 181.A O no hydrogen 3.227 N/A ARG 170.A NE ASP 181.A OD2 no hydrogen 2.818 N/A ARG 170.A NH2 TYR 189.A OH no hydrogen 3.028 N/A ALA 172.A N THR 179.A O no hydrogen 2.992 N/A SER 174.A N SER 177.A O no hydrogen 3.060 N/A SER 174.A OG SER 177.A OG no hydrogen 2.685 N/A LYS 176.A N SER 174.A OG no hydrogen 3.140 N/A SER 177.A N SER 174.A O no hydrogen 3.438 N/A SER 177.A OG SER 174.A OG no hydrogen 2.685 N/A PHE 178.A N VAL 192.A O no hydrogen 2.957 N/A THR 179.A N ALA 172.A O no hydrogen 2.897 N/A THR 179.A OG1 SER 191.A OG no hydrogen 2.671 N/A LEU 180.A N TYR 190.A O no hydrogen 2.791 N/A ASP 181.A N ARG 170.A O no hydrogen 2.916 N/A GLY 183.A N ASP 181.A OD1 no hydrogen 2.706 N/A TYR 185.A N PHE 182.A O no hydrogen 3.063 N/A GLN 186.A NE2 SER 188.A O no hydrogen 2.840 N/A TYR 190.A N LEU 180.A O no hydrogen 2.921 N/A TYR 190.A OH GLU 129.A OE1 no hydrogen 2.581 N/A SER 191.A OG THR 179.A OG1 no hydrogen 2.671 N/A VAL 192.A N PHE 178.A O no hydrogen 2.886 N/A GLN 193.A N LYS 128.A O no hydrogen 2.762 N/A THR 194.A N LYS 176.A O no hydrogen 3.073 N/A GLU 196.A N THR 194.A OG1 no hydrogen 2.928 N/A GLN 199.A NE2 GLU 196.A OE2 no hydrogen 3.238 N/A ILE 200.A N GLU 196.A O no hydrogen 3.133 N/A SER 201.A N GLY 197.A O no hydrogen 2.970 N/A SER 201.A OG GLY 197.A O no hydrogen 2.822 N/A GLN 202.A N GLU 198.A O no hydrogen 3.109 N/A LEU 203.A N GLN 199.A O no hydrogen 3.032 N/A ILE 204.A N ILE 200.A O no hydrogen 3.103 N/A ALA 205.A N SER 201.A O no hydrogen 2.987 N/A GLY 206.A N GLN 202.A O no hydrogen 2.785 N/A TYR 207.A N LEU 203.A O no hydrogen 2.911 N/A ILE 208.A N ILE 204.A O no hydrogen 2.985 N/A ASP 209.A N ALA 205.A O no hydrogen 2.970 N/A ILE 210.A N GLY 206.A O no hydrogen 3.181 N/A ILE 211.A N TYR 207.A O no hydrogen 3.180 N/A LEU 212.A N ILE 208.A O no hydrogen 2.792 N/A LYS 213.A N ASP 209.A O no hydrogen 2.969 N/A LYS 213.A NZ ASP 209.A OD2 no hydrogen 3.190 N/A LYS 214.A N ILE 211.A O no hydrogen 3.129 N/A LYS 215.A N ILE 211.A O no hydrogen 3.423 N/A SER 217.A OG LYS 213.A O no hydrogen 3.462 N/A