Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ak3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG GLU 51.A OE1 no hydrogen 2.686 N/A SER 3.A OG GLU 51.A OE2 no hydrogen 3.475 N/A ARG 6.A NH1 SER 3.A OG no hydrogen 2.727 N/A ARG 6.A NH1 PHE 4.A O no hydrogen 3.013 N/A TYR 7.A N ASN 44.A OD1 no hydrogen 2.869 N/A TYR 14.A OH TRP 83.A O no hydrogen 2.729 N/A TYR 16.A OH HIS 32.A ND1 no hydrogen 2.774 N/A TYR 16.A OH GLN 33.A OE1 no hydrogen 3.133 N/A ALA 18.A N ASN 15.A O no hydrogen 2.982 N/A GLU 20.A N ASN 17.A O no hydrogen 3.285 N/A TYR 22.A N LEU 19.A O no hydrogen 2.952 N/A ILE 23.A N LEU 19.A O no hydrogen 3.075 N/A ILE 24.A N GLN 174.A OE1 no hydrogen 2.943 N/A GLU 25.A N GLU 20.A OE2 no hydrogen 2.922 N/A MET 28.A N ILE 24.A O no hydrogen 3.190 N/A LYS 29.A N GLU 25.A O no hydrogen 2.886 N/A LYS 29.A NZ GLN 33.A OE1 no hydrogen 3.036 N/A LEU 30.A N GLU 26.A O no hydrogen 3.062 N/A HIS 31.A N ILE 27.A O no hydrogen 2.826 N/A HIS 31.A NE2 HIS 79.A NE2 no hydrogen 3.078 N/A HIS 32.A N MET 28.A O no hydrogen 3.052 N/A HIS 32.A ND1 TYR 16.A OH no hydrogen 2.774 N/A HIS 32.A NE2 PRO 10.A O no hydrogen 2.669 N/A GLN 33.A N LYS 29.A O no hydrogen 2.874 N/A LYS 34.A N LEU 30.A O no hydrogen 2.886 N/A HIS 35.A N LEU 30.A O no hydrogen 3.171 N/A HIS 36.A N HIS 31.A O no hydrogen 2.857 N/A HIS 36.A NE2 HIS 76.A ND1 no hydrogen 2.940 N/A ASN 37.A N HIS 32.A O no hydrogen 3.257 N/A THR 38.A N LYS 34.A O no hydrogen 3.064 N/A THR 38.A OG1 LYS 34.A O no hydrogen 2.668 N/A TYR 39.A N HIS 35.A O no hydrogen 3.275 N/A VAL 40.A N HIS 36.A O no hydrogen 3.188 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 2.789 N/A ALA 43.A N TYR 39.A O no hydrogen 2.803 N/A ASN 44.A N VAL 40.A O no hydrogen 3.011 N/A ASN 44.A ND2 TYR 7.A O no hydrogen 3.045 N/A ALA 45.A N LYS 41.A O no hydrogen 2.792 N/A ALA 46.A N GLY 42.A O no hydrogen 3.091 N/A LEU 47.A N ALA 43.A O no hydrogen 3.108 N/A GLU 48.A N ASN 44.A O no hydrogen 2.943 N/A LYS 49.A N ALA 45.A O no hydrogen 3.113 N/A ILE 50.A N ALA 46.A O no hydrogen 3.081 N/A GLU 51.A N LEU 47.A O no hydrogen 2.870 N/A LYS 52.A N GLU 48.A O no hydrogen 2.846 N/A HIS 53.A N LYS 49.A O no hydrogen 2.872 N/A LEU 54.A N ILE 50.A O no hydrogen 2.893 N/A LYS 55.A N GLU 51.A O no hydrogen 2.910 N/A GLY 56.A N HIS 53.A O no hydrogen 3.017 N/A GLU 57.A N LYS 52.A O no hydrogen 2.873 N/A ALA 64.A N ASP 61.A OD2 no hydrogen 3.097 N/A VAL 65.A N ASP 61.A O no hydrogen 2.933 N/A MET 66.A N VAL 62.A O no hydrogen 2.930 N/A ARG 67.A N ARG 63.A O no hydrogen 2.871 N/A ASP 68.A N ALA 64.A O no hydrogen 2.979 N/A PHE 69.A N VAL 65.A O no hydrogen 2.843 N/A SER 70.A N MET 66.A O no hydrogen 2.773 N/A PHE 71.A N ARG 67.A O no hydrogen 3.033 N/A ASN 72.A N ASP 68.A O no hydrogen 3.054 N/A ASN 72.A ND2 ASP 68.A O no hydrogen 2.892 N/A TYR 73.A N PHE 69.A O no hydrogen 2.758 N/A ALA 74.A N SER 70.A O no hydrogen 2.949 N/A GLY 75.A N PHE 71.A O no hydrogen 2.908 N/A HIS 76.A N ASN 72.A O no hydrogen 2.889 N/A HIS 76.A ND1 HIS 36.A NE2 no hydrogen 2.940 N/A ILE 77.A N TYR 73.A O no hydrogen 2.902 N/A MET 78.A N ALA 74.A O no hydrogen 2.938 N/A HIS 79.A N GLY 75.A O no hydrogen 3.096 N/A HIS 79.A ND1 GLY 75.A O no hydrogen 2.662 N/A HIS 79.A NE2 HIS 31.A NE2 no hydrogen 3.078 N/A HIS 79.A NE2 ASP 165.A OD2 no hydrogen 3.151 N/A THR 80.A N HIS 76.A O no hydrogen 2.856 N/A THR 80.A OG1 HIS 76.A O no hydrogen 2.849 N/A ILE 81.A N ILE 77.A O no hydrogen 3.018 N/A PHE 82.A N MET 78.A O no hydrogen 2.888 N/A TRP 83.A N HIS 79.A O no hydrogen 3.103 N/A TRP 83.A NE1 HIS 36.A ND1 no hydrogen 2.921 N/A ASN 85.A N ILE 81.A O no hydrogen 3.084 N/A ASN 85.A ND2 ILE 161.A O no hydrogen 3.120 N/A ASN 85.A ND2 ASP 194.A OD2 no hydrogen 2.800 N/A MET 86.A N TRP 83.A O no hydrogen 3.071 N/A ALA 87.A N VAL 189.A O no hydrogen 2.803 N/A GLY 90.A N GLY 92.A O no hydrogen 2.966 N/A GLY 92.A N PRO 88.A O no hydrogen 2.833 N/A GLY 93.A N VAL 190.A O no hydrogen 2.800 N/A ARG 99.A N GLU 196.A OE2 no hydrogen 2.820 N/A VAL 100.A N GLU 196.A OE1 no hydrogen 2.990 N/A ALA 101.A N GLY 97.A O no hydrogen 3.089 N/A ASP 102.A N GLY 98.A O no hydrogen 3.164 N/A LEU 103.A N ARG 99.A O no hydrogen 2.980 N/A ILE 104.A N VAL 100.A O no hydrogen 2.942 N/A GLU 105.A N ALA 101.A O no hydrogen 2.937 N/A LYS 106.A N ASP 102.A O no hydrogen 3.084 N/A LYS 106.A NZ ASP 102.A OD2 no hydrogen 2.883 N/A GLN 107.A N LEU 103.A O no hydrogen 2.988 N/A GLN 107.A NE2 LEU 142.A O no hydrogen 2.776 N/A PHE 108.A N ILE 104.A O no hydrogen 3.048 N/A GLY 110.A N ILE 104.A O no hydrogen 3.159 N/A PHE 114.A N GLY 110.A O no hydrogen 3.042 N/A LYS 115.A N PHE 111.A O no hydrogen 2.767 N/A ALA 116.A N GLU 112.A O no hydrogen 3.018 N/A LEU 117.A N LYS 113.A O no hydrogen 3.110 N/A PHE 118.A N PHE 114.A O no hydrogen 2.864 N/A SER 119.A N LYS 115.A O no hydrogen 2.878 N/A SER 119.A OG LYS 115.A O no hydrogen 2.772 N/A ALA 120.A N ALA 116.A O no hydrogen 3.002 N/A ALA 121.A N LEU 117.A O no hydrogen 2.827 N/A ALA 122.A N PHE 118.A O no hydrogen 2.916 N/A LYS 123.A N SER 119.A O no hydrogen 2.848 N/A LYS 123.A NZ GLU 184.A OE2 no hydrogen 2.741 N/A THR 124.A N ALA 120.A O no hydrogen 3.037 N/A THR 124.A OG1 ALA 120.A O no hydrogen 2.757 N/A VAL 125.A N ALA 122.A O no hydrogen 3.455 N/A TRP 130.A N VAL 147.A O no hydrogen 2.743 N/A GLY 131.A N ILE 164.A O no hydrogen 2.993 N/A VAL 132.A N LEU 145.A O no hydrogen 2.870 N/A LEU 133.A N LEU 162.A O no hydrogen 2.821 N/A ALA 134.A N ARG 143.A O no hydrogen 2.815 N/A PHE 135.A N VAL 159.A O no hydrogen 2.783 N/A ASP 136.A N GLU 141.A O no hydrogen 2.707 N/A LEU 138.A N ASP 136.A OD2 no hydrogen 2.846 N/A THR 139.A N ASP 136.A O no hydrogen 3.344 N/A THR 139.A OG1 ASP 136.A OD1 no hydrogen 2.792 N/A GLU 140.A N ASP 136.A O no hydrogen 2.689 N/A LEU 142.A N GLN 107.A OE1 no hydrogen 2.829 N/A ARG 143.A N ALA 134.A O no hydrogen 2.799 N/A ARG 143.A NH1 GLU 141.A OE1 no hydrogen 3.296 N/A ARG 143.A NH2 GLU 141.A OE1 no hydrogen 2.808 N/A ARG 143.A NH2 LEU 142.A O no hydrogen 2.979 N/A LEU 145.A N VAL 132.A O no hydrogen 2.975 N/A GLN 146.A NE2 ALA 121.A O no hydrogen 2.738 N/A VAL 147.A N TRP 130.A O no hydrogen 3.001 N/A GLU 148.A N VAL 152.A O no hydrogen 2.828 N/A LYS 149.A N VAL 128.A O no hydrogen 2.882 N/A ASN 151.A ND2 SER 70.A OG no hydrogen 2.911 N/A VAL 152.A N GLU 148.A O no hydrogen 3.115 N/A THR 155.A OG1 ALA 156.A O no hydrogen 2.854 N/A LEU 158.A N ALA 156.A O no hydrogen 2.982 N/A VAL 159.A N PHE 135.A O no hydrogen 2.936 N/A ILE 161.A N LEU 133.A O no hydrogen 2.776 N/A LEU 162.A N LEU 133.A O no hydrogen 3.220 N/A VAL 163.A N ASN 85.A OD1 no hydrogen 2.846 N/A ILE 164.A N GLY 131.A O no hydrogen 2.922 N/A VAL 166.A N GLY 129.A O no hydrogen 2.829 N/A TRP 167.A N ASP 165.A OD1 no hydrogen 2.922 N/A TRP 167.A NE1 LYS 149.A O no hydrogen 3.118 N/A ALA 170.A N TRP 167.A O no hydrogen 2.986 N/A TYR 171.A N GLU 168.A O no hydrogen 3.016 N/A TYR 172.A N GLU 168.A O no hydrogen 2.781 N/A GLN 174.A N TYR 171.A O no hydrogen 2.998 N/A GLN 174.A NE2 PRO 21.A O no hydrogen 2.927 N/A GLN 174.A NE2 TYR 22.A O no hydrogen 3.197 N/A TYR 175.A N TYR 171.A O no hydrogen 2.787 N/A TYR 175.A OH TYR 22.A O no hydrogen 2.636 N/A LYS 176.A N TYR 172.A O no hydrogen 2.920 N/A ASP 178.A N TYR 175.A O no hydrogen 2.967 N/A ARG 179.A N ASN 177.A O no hydrogen 2.845 N/A ARG 179.A NE TYR 171.A OH no hydrogen 3.262 N/A ARG 179.A NH1 LYS 123.A O no hydrogen 2.939 N/A ARG 179.A NH1 VAL 125.A O no hydrogen 2.732 N/A ARG 179.A NH2 GLY 127.A O no hydrogen 2.588 N/A SER 181.A N ASP 178.A OD1 no hydrogen 3.087 N/A TYR 182.A N ASP 178.A O no hydrogen 3.364 N/A TYR 182.A OH ASP 165.A O no hydrogen 2.806 N/A VAL 183.A N ARG 179.A O no hydrogen 2.902 N/A GLU 184.A N GLY 180.A O no hydrogen 3.015 N/A ASN 185.A N SER 181.A O no hydrogen 2.937 N/A ASN 185.A ND2 SER 181.A O no hydrogen 2.985 N/A TRP 186.A N TYR 182.A O no hydrogen 2.837 N/A TRP 187.A NE1 SER 119.A OG no hydrogen 2.827 N/A ASN 188.A N ASN 185.A O no hydrogen 2.942 N/A ASN 188.A ND2 ASN 185.A O no hydrogen 3.104 N/A VAL 189.A N TRP 186.A O no hydrogen 2.984 N/A VAL 190.A N TRP 187.A O no hydrogen 3.487 N/A ASN 191.A N ASN 85.A O no hydrogen 2.746 N/A ASN 191.A ND2 PRO 84.A O no hydrogen 3.060 N/A ASP 194.A N ASN 191.A OD1 no hydrogen 3.375 N/A VAL 195.A N ASN 191.A O no hydrogen 3.125 N/A GLU 196.A N TRP 192.A O no hydrogen 2.894 N/A LYS 197.A N ASP 193.A O no hydrogen 3.104 N/A LYS 197.A NZ ASP 193.A OD1 no hydrogen 2.631 N/A LYS 197.A NZ ASP 193.A OD2 no hydrogen 3.156 N/A ARG 198.A N ASP 194.A O no hydrogen 2.966 N/A ARG 198.A NE ASP 194.A OD1 no hydrogen 3.417 N/A ARG 198.A NE ASP 194.A OD2 no hydrogen 2.648 N/A ARG 198.A NH2 ASP 194.A OD1 no hydrogen 3.258 N/A LEU 199.A N VAL 195.A O no hydrogen 2.889 N/A GLU 200.A N GLU 196.A O no hydrogen 2.915 N/A GLN 201.A N LYS 197.A O no hydrogen 3.201 N/A ALA 202.A N ARG 198.A O no hydrogen 2.943 N/A LEU 203.A N LEU 199.A O no hydrogen 2.800 N/A ASN 204.A N GLU 200.A O no hydrogen 3.139 N/A ASN 205.A N GLN 201.A O no hydrogen 2.768 N/A ASN 205.A N ALA 202.A O no hydrogen 3.256 N/A ALA 206.A N ALA 202.A O no hydrogen 2.924 N/A LEU 209.A N ALA 206.A O no hydrogen 3.152 N/A TYR 210.A N LYS 207.A O no hydrogen 3.001 N/A