Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7kku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ASN 40.A OD1 no hydrogen 3.280 N/A HIS 3.A NE2 GLU 43.A OE1 no hydrogen 2.855 N/A HIS 3.A NE2 GLU 43.A OE2 no hydrogen 2.935 N/A TYR 10.A OH TRP 79.A O no hydrogen 2.949 N/A TYR 12.A OH HIS 28.A ND1 no hydrogen 2.832 N/A GLY 13.A N ASP 11.A OD2 no hydrogen 2.856 N/A ALA 14.A N ASP 11.A O no hydrogen 3.070 N/A GLU 16.A N GLY 13.A O no hydrogen 3.384 N/A ILE 19.A N LEU 15.A O no hydrogen 3.154 N/A ASN 20.A N GLN 169.A OE1 no hydrogen 2.980 N/A ALA 21.A N GLU 16.A OE2 no hydrogen 2.911 N/A ILE 23.A N ASN 20.A OD1 no hydrogen 3.039 N/A MET 24.A N ASN 20.A O no hydrogen 3.283 N/A GLN 25.A N ALA 21.A O no hydrogen 2.805 N/A LEU 26.A N GLN 22.A O no hydrogen 2.964 N/A HIS 27.A N ILE 23.A O no hydrogen 2.742 N/A HIS 27.A NE2 HIS 75.A NE2 no hydrogen 2.727 N/A HIS 28.A N MET 24.A O no hydrogen 3.032 N/A HIS 28.A ND1 TYR 12.A OH no hydrogen 2.832 N/A HIS 28.A NE2 PRO 6.A O no hydrogen 2.788 N/A SER 29.A N GLN 25.A O no hydrogen 2.833 N/A SER 29.A OG GLN 25.A O no hydrogen 2.641 N/A LYS 30.A N LEU 26.A O no hydrogen 3.039 N/A HIS 31.A N LEU 26.A O no hydrogen 3.119 N/A HIS 32.A N HIS 27.A O no hydrogen 3.059 N/A HIS 32.A NE2 HIS 72.A ND1 no hydrogen 2.969 N/A ALA 34.A N LYS 30.A O no hydrogen 3.112 N/A TYR 35.A N HIS 31.A O no hydrogen 3.192 N/A VAL 36.A N HIS 32.A O no hydrogen 3.093 N/A ASN 37.A N ALA 33.A O no hydrogen 3.140 N/A ASN 38.A N ALA 34.A O no hydrogen 3.029 N/A ASN 38.A ND2 ASN 68.A OD1 no hydrogen 3.685 N/A LEU 39.A N TYR 35.A O no hydrogen 2.839 N/A ASN 40.A N VAL 36.A O no hydrogen 2.998 N/A ASN 40.A ND2 HIS 3.A O no hydrogen 3.065 N/A VAL 41.A N ASN 37.A O no hydrogen 3.082 N/A THR 42.A N ASN 38.A O no hydrogen 2.863 N/A THR 42.A OG1 ASN 38.A O no hydrogen 2.662 N/A GLU 43.A N LEU 39.A O no hydrogen 2.813 N/A GLU 44.A N ASN 40.A O no hydrogen 3.211 N/A LYS 45.A N VAL 41.A O no hydrogen 3.235 N/A TYR 46.A N THR 42.A O no hydrogen 2.970 N/A TYR 46.A OH GLN 58.A OE1 no hydrogen 3.121 N/A GLN 47.A N GLU 43.A O no hydrogen 3.068 N/A GLN 47.A NE2 GLN 47.A O no hydrogen 3.170 N/A GLU 48.A N GLU 44.A O no hydrogen 3.174 N/A ALA 49.A N LYS 45.A O no hydrogen 3.023 N/A LEU 50.A N TYR 46.A O no hydrogen 2.658 N/A ALA 51.A N GLN 47.A O no hydrogen 2.907 N/A LYS 52.A N GLU 48.A O no hydrogen 3.122 N/A GLY 53.A N LEU 50.A O no hydrogen 3.241 N/A ASP 54.A N ALA 49.A O no hydrogen 2.928 N/A ALA 57.A N ASP 54.A OD1 no hydrogen 3.159 N/A GLN 58.A N ASP 54.A O no hydrogen 3.092 N/A GLN 58.A NE2 ASP 54.A O no hydrogen 3.364 N/A ILE 59.A N VAL 55.A O no hydrogen 2.987 N/A ALA 60.A N THR 56.A O no hydrogen 2.928 N/A LEU 61.A N ALA 57.A O no hydrogen 3.036 N/A GLN 62.A N ILE 59.A O no hydrogen 3.197 N/A LEU 65.A N LEU 61.A O no hydrogen 3.073 N/A LYS 66.A N GLN 62.A O no hydrogen 2.955 N/A LYS 66.A NZ ASP 145.A OD1 no hydrogen 3.372 N/A LYS 66.A NZ ASP 145.A OD2 no hydrogen 3.157 N/A PHE 67.A N PRO 63.A O no hydrogen 2.932 N/A ASN 68.A N ALA 64.A O no hydrogen 3.004 N/A ASN 68.A ND2 ALA 64.A O no hydrogen 3.071 N/A GLY 69.A N LEU 65.A O no hydrogen 2.753 N/A GLY 70.A N LYS 66.A O no hydrogen 2.859 N/A GLY 71.A N PHE 67.A O no hydrogen 2.908 N/A HIS 72.A N ASN 68.A O no hydrogen 3.016 N/A HIS 72.A ND1 HIS 32.A NE2 no hydrogen 2.969 N/A ILE 73.A N GLY 69.A O no hydrogen 3.003 N/A ASN 74.A N GLY 70.A O no hydrogen 2.738 N/A ASN 74.A ND2 GLN 144.A O no hydrogen 3.069 N/A ASN 74.A ND2 GLN 144.A OE1 no hydrogen 3.392 N/A HIS 75.A N GLY 71.A O no hydrogen 3.216 N/A HIS 75.A ND1 GLY 71.A O no hydrogen 2.787 N/A HIS 75.A NE2 HIS 27.A NE2 no hydrogen 2.727 N/A SER 76.A N HIS 72.A O no hydrogen 3.150 N/A SER 76.A OG HIS 72.A O no hydrogen 2.554 N/A ILE 77.A N ILE 73.A O no hydrogen 3.253 N/A PHE 78.A N ASN 74.A O no hydrogen 2.987 N/A TRP 79.A N HIS 75.A O no hydrogen 3.049 N/A TRP 79.A NE1 HIS 32.A ND1 no hydrogen 2.891 N/A THR 80.A OG1 ILE 77.A O no hydrogen 2.824 N/A THR 80.A OG1 ASN 189.A OD1 no hydrogen 3.307 N/A ASN 81.A N ILE 77.A O no hydrogen 3.049 N/A ASN 81.A N PHE 78.A O no hydrogen 3.095 N/A LEU 82.A N TRP 79.A O no hydrogen 3.354 N/A SER 83.A N VAL 184.A O no hydrogen 2.867 N/A ASN 85.A N SER 83.A OG no hydrogen 3.075 N/A GLY 86.A N SER 83.A O no hydrogen 3.123 N/A GLY 87.A N ILE 185.A O no hydrogen 2.911 N/A GLU 96.A N GLY 92.A O no hydrogen 3.488 N/A ALA 97.A N GLU 93.A O no hydrogen 2.920 N/A ILE 98.A N LEU 94.A O no hydrogen 2.981 N/A LYS 99.A N LEU 95.A O no hydrogen 2.976 N/A ARG 100.A N GLU 96.A O no hydrogen 2.881 N/A ARG 100.A NE ASP 101.A OD1 no hydrogen 2.942 N/A ARG 100.A NH2 ASP 101.A OD1 no hydrogen 3.129 N/A ASP 101.A N ALA 97.A O no hydrogen 2.993 N/A PHE 102.A N ILE 98.A O no hydrogen 2.806 N/A GLY 103.A N LYS 99.A O no hydrogen 2.792 N/A LYS 107.A N SER 104.A OG no hydrogen 3.054 N/A PHE 108.A N SER 104.A O no hydrogen 3.079 N/A LYS 109.A N PHE 105.A O no hydrogen 2.924 N/A GLU 110.A N ASP 106.A O no hydrogen 2.994 N/A LYS 111.A N LYS 107.A O no hydrogen 2.892 N/A LEU 112.A N PHE 108.A O no hydrogen 2.967 N/A THR 113.A N LYS 109.A O no hydrogen 2.931 N/A THR 113.A OG1 LYS 109.A O no hydrogen 2.649 N/A ALA 114.A N GLU 110.A O no hydrogen 2.915 N/A ALA 115.A N LYS 111.A O no hydrogen 3.130 N/A SER 116.A N LEU 112.A O no hydrogen 2.965 N/A SER 116.A OG LEU 112.A O no hydrogen 2.920 N/A VAL 117.A N THR 113.A O no hydrogen 2.829 N/A GLY 118.A N ALA 114.A O no hydrogen 2.935 N/A VAL 119.A N SER 116.A O no hydrogen 3.184 N/A TRP 124.A N CYS 141.A O no hydrogen 2.819 N/A GLY 125.A N ILE 159.A O no hydrogen 2.953 N/A TRP 126.A N ALA 139.A O no hydrogen 2.803 N/A LEU 127.A N LEU 157.A O no hydrogen 2.708 N/A GLY 128.A N GLN 137.A O no hydrogen 2.651 N/A PHE 129.A N ILE 154.A O no hydrogen 2.866 N/A ASN 130.A N HIS 135.A O no hydrogen 2.962 N/A ASN 130.A ND2 GLN 137.A OE1 no hydrogen 3.044 N/A ARG 133.A N ASN 130.A OD1 no hydrogen 3.034 N/A GLY 134.A N ASN 130.A O no hydrogen 2.594 N/A LEU 136.A N ASP 101.A OD2 no hydrogen 2.735 N/A GLN 137.A N GLY 128.A O no hydrogen 2.813 N/A ALA 139.A N TRP 126.A O no hydrogen 3.012 N/A CYS 141.A N TRP 124.A O no hydrogen 2.850 N/A ASN 143.A N SER 122.A O no hydrogen 2.799 N/A ASP 145.A N PRO 142.A O no hydrogen 2.964 N/A THR 150.A N PRO 146.A O no hydrogen 3.288 N/A THR 150.A OG1 PRO 146.A O no hydrogen 2.484 N/A THR 150.A OG1 LEU 147.A O no hydrogen 3.502 N/A THR 151.A N LEU 147.A O no hydrogen 2.841 N/A THR 151.A OG1 LEU 147.A O no hydrogen 2.637 N/A GLY 152.A N GLN 148.A O no hydrogen 3.006 N/A LEU 153.A N THR 151.A OG1 no hydrogen 3.248 N/A ILE 154.A N PHE 129.A O no hydrogen 2.980 N/A LEU 156.A N LEU 127.A O no hydrogen 2.872 N/A LEU 157.A N LEU 127.A O no hydrogen 3.180 N/A ILE 159.A N GLY 125.A O no hydrogen 2.694 N/A VAL 161.A N GLY 123.A O no hydrogen 3.190 N/A TRP 162.A N ASP 160.A OD1 no hydrogen 3.021 N/A TRP 162.A NE1 ASN 143.A O no hydrogen 2.794 N/A HIS 164.A NE2 HIS 27.A NE2 no hydrogen 2.867 N/A ALA 165.A N TRP 162.A O no hydrogen 2.980 N/A TYR 166.A N GLU 163.A O no hydrogen 3.290 N/A TYR 167.A N GLU 163.A O no hydrogen 2.944 N/A GLN 169.A N TYR 166.A O no hydrogen 3.067 N/A GLN 169.A NE2 PRO 17.A O no hydrogen 2.843 N/A GLN 169.A NE2 HIS 18.A O no hydrogen 3.545 N/A TYR 170.A N TYR 166.A O no hydrogen 2.740 N/A TYR 170.A OH HIS 18.A O no hydrogen 2.560 N/A LYS 171.A N TYR 167.A O no hydrogen 2.978 N/A VAL 173.A N TYR 170.A O no hydrogen 3.070 N/A ARG 174.A N ASN 172.A O no hydrogen 2.994 N/A ARG 174.A NE TYR 166.A OH no hydrogen 3.068 N/A ARG 174.A NH1 VAL 117.A O no hydrogen 3.123 N/A ARG 174.A NH1 VAL 119.A O no hydrogen 2.791 N/A ARG 174.A NH2 GLY 121.A O no hydrogen 3.179 N/A ASP 176.A N VAL 173.A O no hydrogen 3.224 N/A TYR 177.A OH ASP 160.A O no hydrogen 2.823 N/A LEU 178.A N ARG 174.A O no hydrogen 3.053 N/A LYS 179.A N PRO 175.A O no hydrogen 2.954 N/A ALA 180.A N ASP 176.A O no hydrogen 3.293 N/A ILE 181.A N TYR 177.A O no hydrogen 3.198 N/A ASN 183.A N ALA 180.A O no hydrogen 3.127 N/A ASN 183.A ND2 HIS 18.A ND1 no hydrogen 3.574 N/A ASN 183.A ND2 ALA 180.A O no hydrogen 3.150 N/A VAL 184.A N ILE 181.A O no hydrogen 3.215 N/A ASN 186.A N ASN 81.A O no hydrogen 2.620 N/A ASN 186.A ND2 THR 80.A O no hydrogen 3.275 N/A ASN 189.A N ASN 186.A OD1 no hydrogen 3.346 N/A VAL 190.A N ASN 186.A O no hydrogen 3.122 N/A THR 191.A N TRP 187.A O no hydrogen 2.904 N/A THR 191.A OG1 TRP 187.A O no hydrogen 2.751 N/A GLU 192.A N GLU 188.A O no hydrogen 3.063 N/A ARG 193.A N ASN 189.A O no hydrogen 2.971 N/A ARG 193.A NE ASN 189.A OD1 no hydrogen 3.038 N/A ARG 193.A NH2 THR 80.A OG1 no hydrogen 2.870 N/A TYR 194.A N VAL 190.A O no hydrogen 2.954 N/A MET 195.A N THR 191.A O no hydrogen 2.861 N/A ALA 196.A N GLU 192.A O no hydrogen 3.035 N/A CYS 197.A N TYR 194.A O no hydrogen 3.053 N/A CYS 197.A SG ARG 193.A O no hydrogen 3.792 N/A LYS 198.A N TYR 194.A O no hydrogen 3.325 N/A LYS 198.A NZ GLU 93.A OE1 no hydrogen 2.638 N/A LYS 198.A NZ TYR 194.A OH no hydrogen 3.529 N/A