Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pu6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG PHE 172.A O no hydrogen 3.450 N/A SER 3.A OG PHE 173.A O no hydrogen 2.657 N/A GLU 5.A N ASP 2.A OD1 no hydrogen 2.973 N/A ILE 6.A N ASP 2.A O no hydrogen 3.318 N/A LEU 7.A N SER 3.A O no hydrogen 2.883 N/A LYS 8.A N PHE 4.A O no hydrogen 3.013 N/A LYS 8.A NZ GLU 5.A OE1 no hydrogen 3.171 N/A LYS 8.A NZ GLU 5.A OE2 no hydrogen 3.286 N/A ALA 9.A N GLU 5.A O no hydrogen 3.033 N/A LEU 10.A N ILE 6.A O no hydrogen 2.893 N/A LYS 11.A N LEU 7.A O no hydrogen 2.835 N/A SER 12.A N LYS 8.A O no hydrogen 3.055 N/A SER 12.A OG ALA 9.A O no hydrogen 2.677 N/A LEU 13.A N LEU 10.A O no hydrogen 2.989 N/A ASP 14.A N LYS 11.A O no hydrogen 3.263 N/A LYS 17.A N ASP 14.A O no hydrogen 3.323 N/A ALA 19.A N LEU 16.A O no hydrogen 3.023 N/A TRP 23.A N PRO 20.A O no hydrogen 2.915 N/A TRP 23.A NE1 GLU 206.A OE1 no hydrogen 2.870 N/A TRP 24.A N TRP 22.A O no hydrogen 2.782 N/A ALA 27.A N TRP 24.A O no hydrogen 3.286 N/A LEU 28.A N TYR 139.A O no hydrogen 2.722 N/A PHE 30.A N ASP 64.A OD1 no hydrogen 2.821 N/A ALA 32.A N LYS 29.A O no hydrogen 3.044 N/A LEU 34.A N PHE 30.A O no hydrogen 2.961 N/A GLY 35.A N GLU 31.A O no hydrogen 2.931 N/A ALA 36.A N ALA 32.A O no hydrogen 2.948 N/A VAL 37.A N LEU 33.A O no hydrogen 3.156 N/A LEU 38.A N LEU 34.A O no hydrogen 2.942 N/A THR 39.A N GLY 35.A O no hydrogen 2.903 N/A GLN 40.A N VAL 37.A O no hydrogen 3.342 N/A GLN 40.A NE2 GLY 127.A O no hydrogen 2.969 N/A THR 42.A N THR 39.A O no hydrogen 3.060 N/A LYS 43.A N THR 42.A OG1 no hydrogen 2.674 N/A ALA 46.A N LYS 43.A O no hydrogen 3.019 N/A VAL 47.A N LYS 43.A O no hydrogen 3.390 N/A LEU 48.A N PHE 44.A O no hydrogen 3.060 N/A SER 50.A N ALA 46.A O no hydrogen 3.247 N/A SER 50.A OG SER 86.A OG no hydrogen 2.782 N/A LEU 51.A N VAL 47.A O no hydrogen 2.834 N/A GLU 52.A N LEU 48.A O no hydrogen 2.936 N/A ASN 53.A N LYS 49.A O no hydrogen 3.018 N/A ASN 53.A ND2 CYS 82.A O no hydrogen 2.955 N/A LEU 54.A N SER 50.A O no hydrogen 2.998 N/A LYS 55.A N LEU 51.A O no hydrogen 2.940 N/A LYS 55.A NZ GLU 31.A OE1 no hydrogen 3.491 N/A LYS 55.A NZ GLU 31.A OE2 no hydrogen 2.862 N/A ASN 56.A N GLU 52.A O no hydrogen 2.850 N/A ALA 57.A N ASN 53.A O no hydrogen 3.034 N/A PHE 58.A N LYS 55.A O no hydrogen 3.004 N/A ILE 59.A N LEU 54.A O no hydrogen 2.967 N/A LEU 60.A N LEU 54.A O no hydrogen 3.298 N/A ILE 66.A N ASP 63.A OD2 no hydrogen 3.118 N/A ASN 67.A N ASP 63.A O no hydrogen 2.934 N/A ASN 67.A ND2 GLU 61.A O no hydrogen 3.604 N/A LEU 68.A N ASP 64.A O no hydrogen 3.029 N/A LYS 69.A N GLU 65.A O no hydrogen 3.329 N/A LYS 70.A N ILE 66.A O no hydrogen 2.862 N/A ILE 71.A N ASN 67.A O no hydrogen 3.206 N/A ALA 72.A N LEU 68.A O no hydrogen 3.043 N/A TYR 73.A N LYS 69.A O no hydrogen 3.076 N/A LYS 78.A N GLU 75.A O no hydrogen 3.144 N/A LEU 79.A N GLU 75.A O no hydrogen 3.253 N/A ALA 80.A N PHE 76.A O no hydrogen 2.868 N/A GLU 81.A N SER 77.A O no hydrogen 3.081 N/A CYS 82.A N LYS 78.A O no hydrogen 3.212 N/A CYS 82.A SG LYS 78.A O no hydrogen 3.631 N/A VAL 83.A N LEU 79.A O no hydrogen 3.004 N/A ARG 84.A N GLU 81.A O no hydrogen 3.369 N/A SER 86.A N VAL 83.A O no hydrogen 3.242 N/A SER 86.A OG SER 50.A OG no hydrogen 2.782 N/A SER 86.A OG VAL 83.A O no hydrogen 3.391 N/A GLY 87.A N ARG 84.A O no hydrogen 3.110 N/A LYS 92.A N PHE 88.A O no hydrogen 2.897 N/A LYS 92.A NZ LEU 38.A O no hydrogen 2.764 N/A LYS 92.A NZ GLN 40.A O no hydrogen 2.865 N/A LYS 92.A NZ SER 86.A O no hydrogen 2.929 N/A ALA 93.A N TYR 89.A O no hydrogen 2.990 N/A LYS 94.A N ASN 90.A O no hydrogen 3.187 N/A LYS 94.A NZ ASP 98.A OD2 no hydrogen 2.715 N/A ARG 95.A N GLN 91.A O no hydrogen 2.908 N/A LEU 96.A N LYS 92.A O no hydrogen 2.952 N/A ILE 97.A N ALA 93.A O no hydrogen 3.030 N/A ASP 98.A N LYS 94.A O no hydrogen 2.919 N/A LEU 99.A N ARG 95.A O no hydrogen 2.952 N/A SER 100.A N LEU 96.A O no hydrogen 2.973 N/A SER 100.A OG LEU 96.A O no hydrogen 2.934 N/A GLY 101.A N ILE 97.A O no hydrogen 3.010 N/A ASN 102.A N ASP 98.A O no hydrogen 2.994 N/A ASN 102.A ND2 GLN 125.A OE1 no hydrogen 2.897 N/A ILE 103.A N LEU 99.A O no hydrogen 2.899 N/A LEU 104.A N SER 100.A O no hydrogen 3.227 N/A LYS 105.A N GLY 101.A O no hydrogen 3.047 N/A LYS 105.A NZ ASP 106.A OD2 no hydrogen 2.909 N/A ASP 106.A N ASN 102.A O no hydrogen 2.973 N/A PHE 107.A N ILE 103.A O no hydrogen 2.897 N/A GLN 108.A N LEU 104.A O no hydrogen 3.038 N/A PHE 110.A N GLU 65.A OE2 no hydrogen 2.782 N/A GLU 111.A N GLU 65.A OE1 no hydrogen 2.946 N/A ASN 112.A N SER 109.A OG no hydrogen 2.985 N/A ASN 112.A ND2 PHE 107.A O no hydrogen 3.013 N/A PHE 113.A N SER 109.A O no hydrogen 2.956 N/A LYS 114.A N PHE 110.A O no hydrogen 3.037 N/A GLN 115.A NE2 GLU 116.A OE1 no hydrogen 2.801 N/A GLU 116.A N ASN 112.A O no hydrogen 2.944 N/A GLU 116.A N PHE 113.A O no hydrogen 3.221 N/A VAL 117.A N PHE 113.A O no hydrogen 2.914 N/A ARG 119.A NE ASP 134.A OD2 no hydrogen 2.941 N/A ARG 119.A NH1 ASP 167.A OD2 no hydrogen 2.895 N/A ARG 119.A NH2 ASP 134.A OD1 no hydrogen 2.919 N/A ARG 119.A NH2 ASP 167.A OD2 no hydrogen 3.003 N/A TRP 121.A N THR 118.A OG1 no hydrogen 3.213 N/A TRP 121.A NE1 ASP 106.A OD1 no hydrogen 2.823 N/A LEU 122.A N THR 118.A O no hydrogen 3.248 N/A LEU 123.A N ARG 119.A O no hydrogen 2.965 N/A ASP 124.A N GLU 120.A O no hydrogen 3.085 N/A ASP 124.A N TRP 121.A O no hydrogen 3.171 N/A GLN 125.A N LEU 122.A O no hydrogen 2.954 N/A GLN 125.A NE2 TRP 121.A O no hydrogen 3.007 N/A ILE 128.A N GLN 125.A O no hydrogen 3.085 N/A GLY 129.A N GLN 40.A OE1 no hydrogen 2.984 N/A LYS 130.A NZ ASP 167.A OD1 no hydrogen 3.022 N/A LYS 130.A NZ ASP 167.A OD2 no hydrogen 3.410 N/A SER 132.A OG ALA 36.A O no hydrogen 2.796 N/A SER 132.A OG GLN 40.A OE1 no hydrogen 3.278 N/A ALA 133.A N GLY 129.A O no hydrogen 2.857 N/A ASP 134.A N LYS 130.A O no hydrogen 2.854 N/A ALA 135.A N GLU 131.A O no hydrogen 2.934 N/A ILE 136.A N SER 132.A O no hydrogen 2.958 N/A LEU 137.A N ALA 133.A O no hydrogen 2.977 N/A CYS 138.A N ASP 134.A O no hydrogen 2.873 N/A CYS 138.A SG VAL 145.A O no hydrogen 3.549 N/A CYS 138.A SG ALA 195.A O no hydrogen 3.977 N/A TYR 139.A N ALA 135.A O no hydrogen 2.833 N/A TYR 139.A OH ALA 199.A O no hydrogen 2.634 N/A ALA 140.A N ILE 136.A O no hydrogen 2.968 N/A CYS 141.A N ILE 136.A O no hydrogen 3.034 N/A CYS 141.A SG ILE 136.A O no hydrogen 3.593 N/A ALA 142.A N CYS 138.A O no hydrogen 3.072 N/A LYS 143.A N LEU 137.A O no hydrogen 2.899 N/A LYS 143.A NZ LYS 114.A O no hydrogen 3.445 N/A LYS 143.A NZ GLN 115.A O no hydrogen 3.046 N/A VAL 145.A N LYS 143.A O no hydrogen 2.874 N/A MET 146.A N GLU 174.A OE1 no hydrogen 2.987 N/A VAL 148.A N TYR 166.A OH no hydrogen 3.330 N/A SER 152.A N ASP 149.A OD2 no hydrogen 2.828 N/A SER 152.A OG ASP 149.A OD2 no hydrogen 2.624 N/A TYR 153.A N ASP 149.A O no hydrogen 3.058 N/A LEU 154.A N LYS 150.A O no hydrogen 2.960 N/A PHE 155.A N TYR 151.A O no hydrogen 2.870 N/A LEU 156.A N SER 152.A O no hydrogen 2.989 N/A LYS 157.A N TYR 153.A O no hydrogen 2.938 N/A LYS 158.A N LEU 154.A O no hydrogen 3.020 N/A LEU 159.A N PHE 155.A O no hydrogen 3.416 N/A GLY 160.A N LYS 157.A O no hydrogen 2.977 N/A ILE 161.A N LEU 156.A O no hydrogen 3.156 N/A TYR 166.A OH ASP 134.A OD1 no hydrogen 2.716 N/A GLU 168.A N ASP 165.A OD2 no hydrogen 3.180 N/A LEU 169.A N ASP 165.A O no hydrogen 2.980 N/A GLN 170.A N TYR 166.A O no hydrogen 2.931 N/A GLN 170.A NE2 ASP 134.A OD1 no hydrogen 2.842 N/A GLN 170.A NE2 MET 146.A O no hydrogen 2.864 N/A HIS 171.A N ASP 167.A O no hydrogen 2.910 N/A PHE 172.A N GLU 168.A O no hydrogen 2.942 N/A PHE 173.A N LEU 169.A O no hydrogen 3.120 N/A GLU 174.A N GLN 170.A O no hydrogen 2.841 N/A LYS 175.A N HIS 171.A O no hydrogen 2.818 N/A LYS 175.A NZ GLU 179.A OE1 no hydrogen 3.070 N/A GLN 178.A N GLU 174.A O no hydrogen 2.975 N/A GLU 179.A N LYS 175.A O no hydrogen 2.858 N/A ASN 180.A N VAL 177.A O no hydrogen 3.007 N/A ASN 180.A ND2 GLY 176.A O no hydrogen 2.863 N/A ALA 184.A N ASN 180.A O no hydrogen 2.850 N/A LEU 185.A N LEU 181.A O no hydrogen 2.932 N/A ALA 186.A N ASN 182.A O no hydrogen 3.019 N/A LEU 187.A N SER 183.A O no hydrogen 3.279 N/A LEU 187.A N ALA 184.A O no hydrogen 3.139 N/A TYR 188.A N LEU 185.A O no hydrogen 3.088 N/A GLU 189.A N ALA 186.A O no hydrogen 2.945 N/A ASN 190.A N LEU 185.A O no hydrogen 3.051 N/A THR 191.A N TYR 188.A O no hydrogen 2.970 N/A THR 191.A OG1 TYR 188.A O no hydrogen 2.666 N/A GLN 196.A N SER 193.A OG no hydrogen 3.139 N/A GLN 196.A NE2 ALA 21.A O no hydrogen 2.997 N/A LEU 197.A N SER 193.A O no hydrogen 2.905 N/A TYR 198.A N LEU 194.A O no hydrogen 3.002 N/A ALA 199.A N ALA 195.A O no hydrogen 3.010 N/A ARG 200.A N GLN 196.A O no hydrogen 3.005 N/A ARG 200.A NH1 ALA 21.A O no hydrogen 2.956 N/A PHE 201.A N LEU 197.A O no hydrogen 2.850 N/A HIS 202.A N TYR 198.A O no hydrogen 3.062 N/A GLY 203.A N ALA 199.A O no hydrogen 3.266 N/A VAL 205.A N HIS 202.A O no hydrogen 3.053 N/A GLU 206.A N GLY 203.A O no hydrogen 2.848 N/A SER 208.A N ILE 204.A O no hydrogen 3.009 N/A SER 208.A OG ILE 204.A O no hydrogen 2.761 N/A LYS 209.A N VAL 205.A O no hydrogen 2.895 N/A LYS 209.A NZ GLU 45.A OE1 no hydrogen 2.730 N/A LYS 209.A NZ GLU 45.A OE2 no hydrogen 3.396 N/A GLN 210.A N GLU 206.A O no hydrogen 3.203 N/A LYS 211.A N PHE 207.A O no hydrogen 3.098 N/A LEU 212.A N SER 208.A O no hydrogen 3.223 N/A GLU 213.A N LYS 209.A O no hydrogen 3.094 N/A LEU 214.A N GLN 210.A O no hydrogen 2.973 N/A LYS 215.A N LEU 212.A O no hydrogen 3.208 N/A LEU 216.A N LYS 211.A O no hydrogen 2.880 N/A