Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ak1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG GLU 51.A OE1 no hydrogen 2.743 N/A SER 3.A OG GLU 51.A OE2 no hydrogen 3.567 N/A ARG 6.A NH1 SER 3.A OG no hydrogen 2.710 N/A ARG 6.A NH1 PHE 4.A O no hydrogen 3.017 N/A TYR 7.A N ASN 44.A OD1 no hydrogen 2.864 N/A TYR 14.A OH TRP 83.A O no hydrogen 2.687 N/A TYR 16.A OH HIS 32.A ND1 no hydrogen 2.912 N/A TYR 16.A OH GLN 33.A OE1 no hydrogen 3.105 N/A ALA 18.A N ASN 15.A O no hydrogen 3.137 N/A GLU 20.A N ASN 17.A O no hydrogen 3.228 N/A ILE 23.A N LEU 19.A O no hydrogen 3.087 N/A ILE 24.A N GLN 174.A OE1 no hydrogen 2.945 N/A GLU 25.A N GLU 20.A OE2 no hydrogen 3.061 N/A MET 28.A N ILE 24.A O no hydrogen 3.271 N/A LYS 29.A N GLU 25.A O no hydrogen 2.924 N/A LYS 29.A NZ GLN 33.A OE1 no hydrogen 2.999 N/A LEU 30.A N GLU 26.A O no hydrogen 3.045 N/A HIS 31.A N ILE 27.A O no hydrogen 2.793 N/A HIS 31.A NE2 HIS 79.A NE2 no hydrogen 2.755 N/A HIS 32.A N MET 28.A O no hydrogen 3.079 N/A HIS 32.A ND1 TYR 16.A OH no hydrogen 2.912 N/A HIS 32.A NE2 PRO 10.A O no hydrogen 2.660 N/A GLN 33.A N LYS 29.A O no hydrogen 2.836 N/A LYS 34.A N LEU 30.A O no hydrogen 2.987 N/A HIS 35.A N LEU 30.A O no hydrogen 3.186 N/A HIS 36.A N HIS 31.A O no hydrogen 2.855 N/A HIS 36.A NE2 HIS 76.A ND1 no hydrogen 2.935 N/A ASN 37.A N HIS 32.A O no hydrogen 3.270 N/A ASN 37.A ND2 GLN 33.A O no hydrogen 3.680 N/A THR 38.A N LYS 34.A O no hydrogen 2.980 N/A THR 38.A OG1 LYS 34.A O no hydrogen 2.877 N/A TYR 39.A N HIS 35.A O no hydrogen 3.341 N/A TYR 39.A N HIS 36.A O no hydrogen 3.054 N/A VAL 40.A N HIS 36.A O no hydrogen 3.156 N/A LYS 41.A N ASN 37.A O no hydrogen 3.002 N/A GLY 42.A N THR 38.A O no hydrogen 2.830 N/A ALA 43.A N TYR 39.A O no hydrogen 2.893 N/A ASN 44.A N VAL 40.A O no hydrogen 3.105 N/A ASN 44.A ND2 TYR 7.A O no hydrogen 3.019 N/A ALA 45.A N LYS 41.A O no hydrogen 2.899 N/A ALA 46.A N GLY 42.A O no hydrogen 3.203 N/A LEU 47.A N ALA 43.A O no hydrogen 3.145 N/A GLU 48.A N ASN 44.A O no hydrogen 2.907 N/A LYS 49.A N ALA 45.A O no hydrogen 3.144 N/A ILE 50.A N ALA 46.A O no hydrogen 3.052 N/A GLU 51.A N LEU 47.A O no hydrogen 2.856 N/A LYS 52.A N GLU 48.A O no hydrogen 2.973 N/A HIS 53.A N LYS 49.A O no hydrogen 2.881 N/A LEU 54.A N ILE 50.A O no hydrogen 2.909 N/A LYS 55.A N GLU 51.A O no hydrogen 2.994 N/A GLY 56.A N HIS 53.A O no hydrogen 3.033 N/A GLU 57.A N LYS 52.A O no hydrogen 2.910 N/A ALA 64.A N ASP 61.A OD2 no hydrogen 3.113 N/A VAL 65.A N ASP 61.A O no hydrogen 2.973 N/A MET 66.A N VAL 62.A O no hydrogen 2.975 N/A ARG 67.A N ARG 63.A O no hydrogen 2.880 N/A ASP 68.A N ALA 64.A O no hydrogen 2.943 N/A PHE 69.A N VAL 65.A O no hydrogen 2.851 N/A SER 70.A N MET 66.A O no hydrogen 2.842 N/A PHE 71.A N ARG 67.A O no hydrogen 3.071 N/A ASN 72.A N ASP 68.A O no hydrogen 3.103 N/A ASN 72.A ND2 ASP 68.A O no hydrogen 2.925 N/A TYR 73.A N PHE 69.A O no hydrogen 2.737 N/A ALA 74.A N SER 70.A O no hydrogen 3.018 N/A GLY 75.A N PHE 71.A O no hydrogen 2.941 N/A HIS 76.A N ASN 72.A O no hydrogen 2.959 N/A HIS 76.A ND1 HIS 36.A NE2 no hydrogen 2.935 N/A ILE 77.A N TYR 73.A O no hydrogen 2.924 N/A MET 78.A N ALA 74.A O no hydrogen 2.967 N/A HIS 79.A N GLY 75.A O no hydrogen 3.153 N/A HIS 79.A ND1 GLY 75.A O no hydrogen 2.709 N/A HIS 79.A NE2 HIS 31.A NE2 no hydrogen 2.755 N/A THR 80.A N HIS 76.A O no hydrogen 2.924 N/A THR 80.A OG1 ILE 77.A O no hydrogen 2.709 N/A ILE 81.A N ILE 77.A O no hydrogen 3.206 N/A PHE 82.A N MET 78.A O no hydrogen 2.910 N/A TRP 83.A N HIS 79.A O no hydrogen 3.158 N/A TRP 83.A NE1 HIS 36.A ND1 no hydrogen 2.960 N/A ASN 85.A N ILE 81.A O no hydrogen 3.159 N/A ASN 85.A N PHE 82.A O no hydrogen 3.228 N/A ASN 85.A ND2 ILE 161.A O no hydrogen 3.160 N/A ASN 85.A ND2 ASP 194.A OD2 no hydrogen 2.761 N/A MET 86.A N TRP 83.A O no hydrogen 3.058 N/A ALA 87.A N VAL 189.A O no hydrogen 2.804 N/A GLY 90.A N GLY 92.A O no hydrogen 3.026 N/A GLY 92.A N PRO 88.A O no hydrogen 2.816 N/A GLY 93.A N VAL 190.A O no hydrogen 2.717 N/A ARG 99.A N GLU 196.A OE2 no hydrogen 2.833 N/A VAL 100.A N GLU 196.A OE1 no hydrogen 2.975 N/A ALA 101.A N GLY 97.A O no hydrogen 3.085 N/A ASP 102.A N GLY 98.A O no hydrogen 3.232 N/A LEU 103.A N ARG 99.A O no hydrogen 2.983 N/A ILE 104.A N VAL 100.A O no hydrogen 2.919 N/A GLU 105.A N ALA 101.A O no hydrogen 2.862 N/A LYS 106.A N ASP 102.A O no hydrogen 2.942 N/A LYS 106.A NZ ASP 102.A OD2 no hydrogen 2.959 N/A GLN 107.A N LEU 103.A O no hydrogen 2.965 N/A GLN 107.A NE2 LEU 142.A O no hydrogen 2.906 N/A PHE 108.A N ILE 104.A O no hydrogen 2.966 N/A GLY 109.A N GLU 105.A O no hydrogen 3.249 N/A GLY 110.A N ILE 104.A O no hydrogen 3.240 N/A PHE 114.A N GLY 110.A O no hydrogen 3.054 N/A LYS 115.A N PHE 111.A O no hydrogen 2.794 N/A ALA 116.A N GLU 112.A O no hydrogen 3.046 N/A LEU 117.A N LYS 113.A O no hydrogen 3.088 N/A PHE 118.A N PHE 114.A O no hydrogen 2.856 N/A SER 119.A N LYS 115.A O no hydrogen 2.879 N/A SER 119.A OG LYS 115.A O no hydrogen 2.866 N/A ALA 120.A N ALA 116.A O no hydrogen 2.943 N/A ALA 121.A N LEU 117.A O no hydrogen 2.926 N/A ALA 122.A N PHE 118.A O no hydrogen 2.968 N/A LYS 123.A N SER 119.A O no hydrogen 2.850 N/A LYS 123.A NZ GLU 184.A OE2 no hydrogen 2.687 N/A THR 124.A N ALA 120.A O no hydrogen 3.013 N/A THR 124.A OG1.B ALA 120.A O no hydrogen 2.706 N/A VAL 125.A N ALA 122.A O no hydrogen 3.438 N/A TRP 130.A N VAL 147.A O no hydrogen 2.726 N/A GLY 131.A N ILE 164.A O no hydrogen 2.963 N/A VAL 132.A N LEU 145.A O no hydrogen 2.923 N/A LEU 133.A N LEU 162.A O no hydrogen 2.754 N/A ALA 134.A N ARG 143.A O no hydrogen 2.780 N/A PHE 135.A N VAL 159.A O no hydrogen 2.764 N/A ASP 136.A N GLU 141.A O no hydrogen 2.855 N/A LEU 138.A N ASP 136.A OD2 no hydrogen 2.852 N/A THR 139.A N ASP 136.A O no hydrogen 3.362 N/A THR 139.A OG1 ASP 136.A OD1 no hydrogen 2.767 N/A GLU 140.A N ASP 136.A O no hydrogen 2.738 N/A LEU 142.A N GLN 107.A OE1 no hydrogen 2.838 N/A ARG 143.A N ALA 134.A O no hydrogen 2.828 N/A ARG 143.A NH1 GLU 141.A OE1 no hydrogen 3.164 N/A ARG 143.A NH2 GLU 141.A OE1 no hydrogen 2.816 N/A ARG 143.A NH2 LEU 142.A O no hydrogen 2.924 N/A LEU 145.A N VAL 132.A O no hydrogen 2.965 N/A GLN 146.A NE2 ALA 121.A O no hydrogen 2.782 N/A VAL 147.A N TRP 130.A O no hydrogen 2.973 N/A GLU 148.A N VAL 152.A O no hydrogen 2.824 N/A LYS 149.A N VAL 128.A O no hydrogen 2.920 N/A ASN 151.A N GLU 148.A O no hydrogen 3.288 N/A ASN 151.A ND2 SER 70.A OG no hydrogen 2.870 N/A VAL 152.A N GLU 148.A O no hydrogen 3.081 N/A THR 155.A OG1 ALA 156.A O no hydrogen 2.904 N/A LEU 158.A N ALA 156.A O no hydrogen 2.994 N/A VAL 159.A N PHE 135.A O no hydrogen 2.877 N/A ILE 161.A N LEU 133.A O no hydrogen 2.906 N/A LEU 162.A N LEU 133.A O no hydrogen 3.234 N/A VAL 163.A N ASN 85.A OD1 no hydrogen 2.888 N/A ILE 164.A N GLY 131.A O no hydrogen 2.898 N/A VAL 166.A N GLY 129.A O no hydrogen 2.854 N/A TRP 167.A N ASP 165.A OD1 no hydrogen 2.893 N/A TRP 167.A NE1 LYS 149.A O no hydrogen 3.100 N/A ALA 170.A N TRP 167.A O no hydrogen 2.897 N/A TYR 171.A N GLU 168.A O no hydrogen 3.079 N/A TYR 172.A N GLU 168.A O no hydrogen 2.841 N/A GLN 174.A N TYR 171.A O no hydrogen 3.058 N/A GLN 174.A NE2 PRO 21.A O no hydrogen 2.930 N/A GLN 174.A NE2 TYR 22.A O no hydrogen 3.360 N/A TYR 175.A N TYR 171.A O no hydrogen 2.886 N/A TYR 175.A OH TYR 22.A O no hydrogen 2.654 N/A LYS 176.A N TYR 172.A O no hydrogen 2.840 N/A ASP 178.A N TYR 175.A O no hydrogen 2.949 N/A ARG 179.A N ASN 177.A O no hydrogen 2.876 N/A ARG 179.A NE TYR 171.A OH no hydrogen 3.153 N/A ARG 179.A NH1 LYS 123.A O no hydrogen 3.023 N/A ARG 179.A NH1 VAL 125.A O no hydrogen 2.739 N/A ARG 179.A NH2 GLY 127.A O no hydrogen 2.797 N/A SER 181.A N ASP 178.A OD1 no hydrogen 3.133 N/A TYR 182.A N ASP 178.A O no hydrogen 3.398 N/A TYR 182.A OH ASP 165.A O no hydrogen 2.865 N/A VAL 183.A N ARG 179.A O no hydrogen 2.922 N/A GLU 184.A N GLY 180.A O no hydrogen 3.024 N/A ASN 185.A N SER 181.A O no hydrogen 2.952 N/A ASN 185.A ND2 SER 181.A O no hydrogen 2.766 N/A TRP 186.A N TYR 182.A O no hydrogen 2.878 N/A TRP 187.A NE1 SER 119.A OG no hydrogen 2.901 N/A ASN 188.A N ASN 185.A O no hydrogen 2.992 N/A ASN 188.A ND2 ASN 185.A O no hydrogen 3.183 N/A VAL 189.A N TRP 186.A O no hydrogen 2.965 N/A VAL 190.A N TRP 187.A O no hydrogen 3.478 N/A ASN 191.A N ASN 85.A O no hydrogen 2.694 N/A ASN 191.A ND2 PRO 84.A O no hydrogen 3.137 N/A ASP 194.A N ASN 191.A OD1 no hydrogen 3.322 N/A VAL 195.A N ASN 191.A O no hydrogen 3.230 N/A GLU 196.A N TRP 192.A O no hydrogen 2.989 N/A LYS 197.A N ASP 193.A O no hydrogen 3.122 N/A LYS 197.A NZ ASP 193.A OD1 no hydrogen 2.687 N/A LYS 197.A NZ ASP 193.A OD2 no hydrogen 3.295 N/A ARG 198.A N ASP 194.A O no hydrogen 2.917 N/A ARG 198.A NE ASP 194.A OD2 no hydrogen 2.817 N/A ARG 198.A NH2 ASP 194.A OD1 no hydrogen 3.450 N/A LEU 199.A N VAL 195.A O no hydrogen 2.845 N/A GLU 200.A N GLU 196.A O no hydrogen 2.888 N/A GLN 201.A N LYS 197.A O no hydrogen 3.204 N/A ALA 202.A N ARG 198.A O no hydrogen 3.037 N/A LEU 203.A N LEU 199.A O no hydrogen 2.845 N/A ASN 204.A N GLU 200.A O no hydrogen 3.183 N/A ASN 205.A N GLN 201.A O no hydrogen 2.822 N/A ASN 205.A N ALA 202.A O no hydrogen 3.282 N/A ALA 206.A N ALA 202.A O no hydrogen 2.953 N/A LEU 209.A N ALA 206.A O no hydrogen 3.181 N/A TYR 210.A N LYS 207.A O no hydrogen 2.926 N/A LEU 211.A N LYS 207.A O no hydrogen 2.654 N/A LEU 212.A N PRO 208.A O no hydrogen 3.272 N/A