Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mcs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N TYR 59.A O no hydrogen 3.004 N/A ASN 7.A N GLU 57.A O no hydrogen 2.966 N/A ASN 7.A ND2 TYR 9.A OH no hydrogen 3.152 N/A VAL 8.A N ALA 92.A O no hydrogen 2.939 N/A TYR 9.A N ILE 55.A O no hydrogen 2.884 N/A ASP 10.A N ASN 90.A O no hydrogen 2.970 N/A PHE 11.A N SER 53.A O no hydrogen 3.068 N/A GLU 12.A N GLY 87.A O no hydrogen 3.445 N/A VAL 13.A N THR 51.A O no hydrogen 2.873 N/A LYS 14.A N ILE 84.A O no hydrogen 2.966 N/A LYS 17.A N LYS 14.A O no hydrogen 3.314 N/A LYS 17.A NZ GLN 83.A O no hydrogen 2.776 N/A TYR 21.A N LYS 17.A O no hydrogen 2.865 N/A TYR 21.A OH THR 45.A OG1 no hydrogen 2.700 N/A LYS 22.A N GLU 18.A O no hydrogen 2.959 N/A SER 23.A N THR 19.A O no hydrogen 3.157 N/A ALA 24.A N SER 20.A O no hydrogen 3.062 N/A THR 25.A N TYR 21.A O no hydrogen 2.989 N/A THR 25.A OG1 TYR 21.A O no hydrogen 2.840 N/A GLU 26.A N LYS 22.A O no hydrogen 2.880 N/A ASP 27.A N SER 23.A O no hydrogen 2.989 N/A TYR 28.A N ALA 24.A O no hydrogen 3.042 N/A TYR 28.A OH GLU 57.A OE1 no hydrogen 3.316 N/A TYR 28.A OH GLU 57.A OE2 no hydrogen 2.553 N/A TYR 28.A OH HIS 68.A NE2 no hydrogen 2.714 N/A VAL 29.A N THR 25.A O no hydrogen 2.980 N/A ASN 30.A N GLU 26.A O no hydrogen 2.910 N/A LYS 31.A N ASP 27.A O no hydrogen 2.815 N/A THR 32.A N TYR 28.A O no hydrogen 3.020 N/A THR 32.A OG1 TYR 28.A O no hydrogen 2.822 N/A GLU 35.A N THR 32.A O no hydrogen 2.862 N/A LEU 39.A N ILE 58.A O no hydrogen 2.855 N/A GLY 40.A N ILE 58.A O no hydrogen 3.348 N/A LEU 41.A N GLU 204.A O no hydrogen 2.903 N/A PHE 42.A N VAL 56.A O no hydrogen 2.855 N/A ALA 43.A N LYS 202.A O no hydrogen 2.838 N/A ALA 44.A N TYR 54.A O no hydrogen 2.917 N/A THR 45.A N GLN 199.A O no hydrogen 2.829 N/A THR 45.A OG1 TYR 21.A OH no hydrogen 2.700 N/A ASP 46.A N THR 52.A O no hydrogen 2.977 N/A ARG 48.A N ASP 46.A OD1 no hydrogen 3.376 N/A ARG 48.A NE ASP 46.A OD1 no hydrogen 3.065 N/A ARG 48.A NH2 ASP 46.A OD2 no hydrogen 3.210 N/A LYS 50.A N ARG 48.A O no hydrogen 2.616 N/A THR 51.A OG1 GLU 18.A OE2 no hydrogen 3.246 N/A THR 52.A N ASP 46.A O no hydrogen 2.762 N/A THR 52.A OG1 LYS 50.A O no hydrogen 3.398 N/A SER 53.A N PHE 11.A O no hydrogen 2.649 N/A TYR 54.A N ALA 44.A O no hydrogen 3.055 N/A ILE 55.A N TYR 9.A O no hydrogen 2.877 N/A VAL 56.A N PHE 42.A O no hydrogen 2.913 N/A GLU 57.A N ASN 7.A O no hydrogen 2.869 N/A ILE 58.A N GLY 40.A O no hydrogen 3.045 N/A TYR 59.A N ILE 5.A O no hydrogen 2.817 N/A TYR 59.A OH GLU 57.A OE1 no hydrogen 2.861 N/A ASN 60.A N GLY 37.A O no hydrogen 2.791 N/A ALA 64.A N ASP 61.A OD1 no hydrogen 2.770 N/A PHE 65.A N ASP 61.A O no hydrogen 3.191 N/A SER 66.A N TYR 62.A O no hydrogen 2.895 N/A ASN 67.A N LEU 63.A O no hydrogen 2.924 N/A HIS 68.A N ALA 64.A O no hydrogen 3.047 N/A HIS 68.A ND1 GLU 35.A OE1 no hydrogen 2.663 N/A HIS 68.A NE2 TYR 28.A OH no hydrogen 2.714 N/A THR 69.A N PHE 65.A O no hydrogen 2.977 N/A THR 69.A OG1 SER 66.A O no hydrogen 3.122 N/A LYS 70.A N ASN 67.A O no hydrogen 3.078 N/A ASN 71.A N HIS 68.A O no hydrogen 3.118 N/A GLN 72.A N ASN 71.A OD1 no hydrogen 2.870 N/A GLN 72.A NE2 ASP 76.A OD1 no hydrogen 2.941 N/A LYS 75.A N ASN 71.A O no hydrogen 3.217 N/A ASP 76.A N GLN 72.A O no hydrogen 2.983 N/A PHE 77.A N ALA 73.A O no hydrogen 3.068 N/A LYS 78.A N SER 74.A O no hydrogen 2.808 N/A ALA 79.A N LYS 75.A O no hydrogen 3.318 N/A ALA 79.A N ASP 76.A O no hydrogen 3.226 N/A VAL 80.A N PHE 77.A O no hydrogen 2.810 N/A ILE 81.A N PHE 77.A O no hydrogen 3.073 N/A GLN 83.A N VAL 80.A O no hydrogen 2.902 N/A GLN 83.A NE2.A ALA 79.A O no hydrogen 3.134 N/A ILE 84.A N VAL 80.A O no hydrogen 3.326 N/A ILE 84.A N ILE 81.A O no hydrogen 2.930 N/A ALA 85.A N ILE 81.A O no hydrogen 2.770 N/A GLU 86.A N GLU 12.A O no hydrogen 2.809 N/A ASN 90.A N ASP 10.A O no hydrogen 2.931 N/A ALA 92.A N VAL 8.A O no hydrogen 2.888 N/A ILE 94.A N LEU 6.A O no hydrogen 2.830 N/A ASP 95.A N THR 151.A O no hydrogen 2.798 N/A GLN 97.A N LEU 149.A O no hydrogen 2.793 N/A ILE 98.A N LEU 149.A O no hydrogen 3.022 N/A ALA 99.A N TYR 211.A O no hydrogen 3.095 N/A LYS 100.A N VAL 147.A O no hydrogen 3.073 N/A LYS 100.A NZ ASP 210.A OD1 no hydrogen 2.959 N/A ASP 101.A N LEU 209.A O no hydrogen 3.099 N/A LYS 102.A N LEU 145.A O no hydrogen 2.916 N/A LYS 103.A NZ ASN 205.A O no hydrogen 2.502 N/A ILE 104.A N ASN 205.A OD1 no hydrogen 2.908 N/A GLN 106.A NE2 LEU 201.A O no hydrogen 3.233 N/A ASN 107.A N THR 110.A OG1 no hydrogen 3.009 N/A ASN 109.A N ASN 107.A OD1 no hydrogen 2.617 N/A THR 110.A N ASN 107.A O no hydrogen 3.436 N/A THR 110.A OG1 ASN 107.A O no hydrogen 3.344 N/A THR 110.A OG1 ASN 107.A OD1 no hydrogen 3.505 N/A PHE 111.A N TYR 165.A O no hydrogen 3.126 N/A VAL 113.A N GLU 163.A O no hydrogen 3.014 N/A TYR 114.A N ALA 196.A O no hydrogen 2.930 N/A THR 115.A N LEU 161.A O no hydrogen 2.924 N/A VAL 116.A N LYS 194.A O no hydrogen 3.037 N/A ILE 117.A N TRP 159.A O no hydrogen 2.801 N/A ASP 118.A N GLY 192.A O no hydrogen 3.025 N/A VAL 119.A N ASN 157.A O no hydrogen 2.929 N/A LYS 120.A NZ ASP 189.A O no hydrogen 2.568 N/A ASN 123.A N LYS 120.A O no hydrogen 2.902 N/A ASP 124.A N PRO 121.A O no hydrogen 3.436 N/A PHE 127.A N ASN 123.A O no hydrogen 3.037 N/A ALA 128.A N ASP 124.A O no hydrogen 2.946 N/A ILE 130.A N GLU 126.A O no hydrogen 3.377 N/A ILE 131.A N PHE 127.A O no hydrogen 2.846 N/A LYS 132.A N ALA 128.A O no hydrogen 3.066 N/A LYS 132.A NZ GLU 129.A OE2 no hydrogen 2.926 N/A ASN 133.A N GLU 129.A O no hydrogen 3.351 N/A ILE 134.A N ILE 130.A O no hydrogen 3.135 N/A VAL 135.A N ILE 131.A O no hydrogen 2.879 N/A GLU 136.A N LYS 132.A O no hydrogen 3.143 N/A THR 137.A N ASN 133.A O no hydrogen 2.939 N/A THR 137.A OG1 ASN 133.A O no hydrogen 2.915 N/A THR 138.A N ILE 134.A O no hydrogen 2.958 N/A THR 138.A OG1 ILE 134.A O no hydrogen 3.087 N/A THR 138.A OG1 TYR 179.A OH no hydrogen 3.387 N/A PHE 139.A N VAL 135.A O no hydrogen 3.163 N/A ASN 140.A N GLU 136.A O no hydrogen 3.368 N/A GLU 141.A N THR 138.A O no hydrogen 2.865 N/A GLY 143.A N GLU 142.A OE1 no hydrogen 2.749 N/A THR 144.A OG1 THR 138.A O no hydrogen 2.726 N/A THR 144.A OG1 GLU 141.A O no hydrogen 3.533 N/A LEU 145.A N VAL 164.A O no hydrogen 2.863 N/A LEU 146.A N VAL 164.A O no hydrogen 3.143 N/A VAL 147.A N LYS 100.A O no hydrogen 2.973 N/A TYR 148.A N PHE 162.A O no hydrogen 2.769 N/A TYR 148.A OH ASP 101.A OD2 no hydrogen 2.831 N/A LEU 149.A N ILE 98.A O no hydrogen 2.677 N/A GLY 150.A N CYS 160.A O no hydrogen 3.085 N/A THR 151.A N ASP 95.A O no hydrogen 3.045 N/A ASP 152.A N LYS 158.A O no hydrogen 2.974 N/A ARG 153.A N GLU 93.A O no hydrogen 2.928 N/A ARG 153.A NH1 GLU 93.A OE1 no hydrogen 3.444 N/A ARG 154.A N ASP 152.A OD1 no hydrogen 2.688 N/A ASN 155.A N ASP 152.A O no hydrogen 3.178 N/A ASN 157.A N ASN 155.A OD1 no hydrogen 2.909 N/A LYS 158.A N ASN 155.A O no hydrogen 3.022 N/A LYS 158.A NZ ASP 118.A OD1 no hydrogen 2.785 N/A LYS 158.A NZ ASP 118.A OD2 no hydrogen 3.356 N/A TRP 159.A N ILE 117.A O no hydrogen 2.931 N/A TRP 159.A NE1 ASP 124.A OD1 no hydrogen 3.250 N/A CYS 160.A N GLY 150.A O no hydrogen 2.763 N/A CYS 160.A SG TYR 114.A OH no hydrogen 3.545 N/A LEU 161.A N THR 115.A O no hydrogen 2.831 N/A PHE 162.A N TYR 148.A O no hydrogen 2.948 N/A GLU 163.A N VAL 113.A O no hydrogen 3.096 N/A VAL 164.A N LEU 146.A O no hydrogen 3.043 N/A TYR 165.A N PHE 111.A O no hydrogen 2.838 N/A TYR 165.A OH GLU 163.A OE1 no hydrogen 2.524 N/A LYS 166.A N GLY 143.A O no hydrogen 2.756 N/A SER 170.A N ASP 167.A OD1 no hydrogen 2.959 N/A SER 170.A OG ASP 167.A OD1 no hydrogen 2.614 N/A TYR 171.A N ASP 167.A O no hydrogen 3.472 N/A LEU 172.A N ILE 168.A O no hydrogen 3.088 N/A ASN 173.A N ASP 169.A O no hydrogen 2.848 N/A HIS 174.A N SER 170.A O no hydrogen 3.036 N/A HIS 174.A ND1 TYR 179.A OH no hydrogen 3.001 N/A ARG 175.A N TYR 171.A O no hydrogen 3.134 N/A SER 176.A N LEU 172.A O no hydrogen 2.914 N/A SER 176.A OG LEU 172.A O no hydrogen 2.972 N/A ALA 177.A N HIS 174.A O no hydrogen 3.422 N/A TYR 179.A OH THR 138.A OG1 no hydrogen 3.387 N/A TYR 179.A OH GLU 141.A OE2 no hydrogen 3.356 N/A TYR 179.A OH HIS 174.A ND1 no hydrogen 3.001 N/A PHE 180.A N ALA 177.A O no hydrogen 2.986 N/A LYS 181.A N ALA 177.A O no hydrogen 2.945 N/A ASP 182.A N LYS 178.A O no hydrogen 2.808 N/A ILE 184.A N PHE 180.A O no hydrogen 2.970 N/A THR 185.A N LYS 181.A O no hydrogen 3.059 N/A THR 185.A OG1 LYS 181.A O no hydrogen 3.529 N/A GLN 186.A N ASP 182.A O no hydrogen 2.930 N/A THR 187.A N TYR 183.A O no hydrogen 3.007 N/A THR 187.A OG1 TYR 183.A O no hydrogen 2.918 N/A LYS 188.A N THR 185.A O no hydrogen 3.459 N/A ALA 191.A N ASP 118.A O no hydrogen 2.736 N/A LYS 194.A N VAL 116.A O no hydrogen 3.192 N/A ARG 195.A NH1.A TYR 171.A OH no hydrogen 2.651 N/A ARG 195.A NH1.A GLU 197.A OE2 no hydrogen 2.511 N/A ALA 196.A N TYR 114.A O no hydrogen 2.873 N/A LEU 198.A N ALA 112.A O no hydrogen 2.794 N/A GLN 199.A N THR 45.A O no hydrogen 2.865 N/A GLN 199.A NE2 GLU 47.A OE1 no hydrogen 3.281 N/A LEU 201.A N ALA 43.A O no hydrogen 2.870 N/A LYS 202.A N ALA 43.A O no hydrogen 3.183 N/A LYS 202.A NZ GLN 106.A OE1 no hydrogen 3.445 N/A LYS 202.A NZ GLU 204.A OE2 no hydrogen 2.774 N/A ILE 203.A N GLN 106.A OE1 no hydrogen 2.873 N/A GLU 204.A N LEU 41.A O no hydrogen 3.173 N/A ASN 205.A ND2 ASP 101.A OD2 no hydrogen 3.328 N/A ASN 205.A ND2 LYS 102.A O no hydrogen 3.070 N/A LYS 206.A N LEU 39.A O no hydrogen 3.106 N/A LEU 209.A N ASP 101.A OD1 no hydrogen 2.781 N/A TYR 211.A N ALA 99.A O no hydrogen 2.814 N/A LYS 212.A NZ GLU 136.A OE2 no hydrogen 2.946 N/A LYS 213.A N GLN 97.A O no hydrogen 3.053 N/A