Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gis_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N LEU 50.A O no hydrogen 2.944 N/A PHE 5.A N HIS 52.A O no hydrogen 2.953 N/A LEU 7.A N THR 54.A O no hydrogen 2.829 N/A ALA 10.A N LEU 7.A O no hydrogen 2.996 N/A THR 11.A N SER 14.A OG no hydrogen 3.013 N/A THR 11.A OG1 SER 13.A OG no hydrogen 3.046 N/A SER 12.A OG GLY 173.A O no hydrogen 2.681 N/A SER 13.A OG THR 11.A OG1 no hydrogen 3.046 N/A SER 14.A N THR 11.A OG1 no hydrogen 3.101 N/A SER 14.A OG THR 11.A O no hydrogen 3.255 N/A TYR 15.A N THR 11.A O no hydrogen 3.060 N/A TYR 15.A OH SER 158.A O no hydrogen 2.775 N/A GLY 16.A N SER 12.A O no hydrogen 3.108 N/A VAL 17.A N SER 13.A O no hydrogen 2.912 N/A PHE 18.A N SER 14.A O no hydrogen 3.039 N/A ILE 19.A N TYR 15.A O no hydrogen 2.874 N/A SER 20.A N GLY 16.A O no hydrogen 2.918 N/A ASN 21.A N VAL 17.A O no hydrogen 2.942 N/A LEU 22.A N PHE 18.A O no hydrogen 2.875 N/A ARG 23.A N ILE 19.A O no hydrogen 2.970 N/A ARG 23.A NE ALA 163.A O no hydrogen 2.827 N/A ARG 23.A NH1 ALA 162.A O no hydrogen 2.918 N/A ARG 23.A NH1 GLU 169.A OE2 no hydrogen 2.729 N/A ARG 23.A NH2 GLU 169.A OE2 no hydrogen 2.928 N/A LYS 24.A N SER 20.A O no hydrogen 3.017 N/A ALA 25.A N ASN 21.A O no hydrogen 2.997 N/A ALA 25.A N LEU 22.A O no hydrogen 3.188 N/A LEU 26.A N ARG 23.A O no hydrogen 3.202 N/A ASN 28.A ND2 ARG 30.A O no hydrogen 3.158 N/A LYS 31.A NZ ASP 34.A OD2 no hydrogen 3.519 N/A LEU 32.A N ILE 35.A O no hydrogen 2.949 N/A ILE 35.A N LEU 32.A O no hydrogen 2.876 N/A LEU 37.A N ARG 30.A O no hydrogen 3.010 N/A LEU 38.A N LEU 241.A O no hydrogen 2.970 N/A GLN 46.A N PRO 43.A O no hydrogen 2.980 N/A ARG 47.A N GLY 44.A O no hydrogen 3.195 N/A ARG 47.A NE LEU 42.A O no hydrogen 2.880 N/A ARG 47.A NH1 LEU 42.A O no hydrogen 3.047 N/A ARG 47.A NH2 TYR 48.A OH no hydrogen 2.937 N/A ARG 47.A NH2 GLU 91.A OE2 no hydrogen 3.498 N/A ALA 49.A N ILE 65.A O no hydrogen 3.081 N/A LEU 50.A N ASP 2.A OD1 no hydrogen 2.709 N/A ILE 51.A N VAL 63.A O no hydrogen 2.794 N/A HIS 52.A N VAL 3.A O no hydrogen 2.774 N/A LEU 53.A N ILE 61.A O no hydrogen 2.907 N/A THR 54.A N PHE 5.A O no hydrogen 3.108 N/A THR 54.A OG1 THR 60.A OG1 no hydrogen 2.770 N/A ASN 55.A N GLU 59.A O no hydrogen 2.956 N/A ASN 55.A ND2 GLU 59.A OE1 no hydrogen 2.755 N/A ASN 55.A ND2 THR 138.A OG1 no hydrogen 3.034 N/A TYR 56.A N ASP 134.A OD1 no hydrogen 3.151 N/A ASP 58.A N ASN 55.A O no hydrogen 3.080 N/A GLU 59.A N ASN 55.A OD1 no hydrogen 2.773 N/A THR 60.A OG1 THR 54.A OG1 no hydrogen 2.770 N/A ILE 61.A N LEU 53.A O no hydrogen 2.931 N/A SER 62.A N ARG 76.A O no hydrogen 3.030 N/A VAL 63.A N ILE 51.A O no hydrogen 2.725 N/A ALA 64.A N GLY 74.A O no hydrogen 2.950 N/A ILE 65.A N ALA 49.A O no hydrogen 2.934 N/A ASP 66.A N TYR 71.A O no hydrogen 2.856 N/A VAL 67.A N ARG 47.A O no hydrogen 2.918 N/A THR 68.A N ASP 66.A OD2 no hydrogen 2.899 N/A THR 68.A OG1 ASP 66.A OD2 no hydrogen 2.639 N/A THR 68.A OG1 ASN 246.A OD1 no hydrogen 3.134 N/A ASN 69.A N ASP 66.A O no hydrogen 3.331 N/A TYR 71.A N ASN 69.A OD1 no hydrogen 2.877 N/A MET 73.A N ALA 64.A O no hydrogen 2.747 N/A TYR 75.A N TYR 82.A O no hydrogen 2.775 N/A TYR 75.A OH LEU 140.A O no hydrogen 2.786 N/A ARG 76.A N SER 62.A O no hydrogen 2.760 N/A ARG 76.A NH1 SER 62.A OG no hydrogen 3.106 N/A ALA 77.A N THR 80.A O no hydrogen 2.948 N/A THR 80.A N ALA 77.A O no hydrogen 3.152 N/A SER 81.A N ARG 102.A O no hydrogen 2.897 N/A TYR 82.A N TYR 75.A O no hydrogen 2.792 N/A PHE 83.A N VAL 104.A O no hydrogen 2.941 N/A PHE 84.A N MET 73.A O no hydrogen 3.021 N/A ASN 85.A N TYR 108.A O no hydrogen 2.853 N/A ALA 89.A N GLN 86.A O no hydrogen 2.903 N/A THR 90.A N GLN 86.A O no hydrogen 3.015 N/A THR 90.A OG1 GLN 86.A O no hydrogen 3.403 N/A GLU 91.A N ALA 87.A O no hydrogen 3.073 N/A ALA 92.A N SER 88.A O no hydrogen 2.956 N/A ALA 93.A N ALA 89.A O no hydrogen 2.908 N/A LYS 94.A N GLU 91.A O no hydrogen 3.082 N/A TYR 95.A N ALA 92.A O no hydrogen 2.817 N/A VAL 96.A N ALA 92.A O no hydrogen 3.028 N/A ALA 100.A N PHE 97.A O no hydrogen 3.333 N/A ARG 102.A N ASP 79.A O no hydrogen 3.166 N/A LYS 103.A NZ LYS 98.A O no hydrogen 3.413 N/A LYS 103.A NZ ALA 100.A O no hydrogen 2.678 N/A VAL 104.A N SER 81.A O no hydrogen 2.686 N/A LEU 106.A N PHE 83.A O no hydrogen 2.753 N/A GLY 110.A N GLN 86.A OE1 no hydrogen 2.775 N/A ASN 111.A N SER 109.A OG no hydrogen 3.367 N/A ASN 111.A ND2 SER 109.A OG no hydrogen 2.838 N/A TYR 112.A OH GLU 161.A OE1 no hydrogen 2.661 N/A ARG 114.A N ASN 111.A OD1 no hydrogen 3.169 N/A LEU 115.A N ASN 111.A O no hydrogen 2.935 N/A GLN 116.A N TYR 112.A O no hydrogen 2.878 N/A GLN 116.A NE2 TYR 112.A O no hydrogen 2.966 N/A THR 117.A N GLU 113.A O no hydrogen 3.239 N/A THR 117.A OG1 GLU 113.A O no hydrogen 3.028 N/A ALA 118.A N ARG 114.A O no hydrogen 2.957 N/A ALA 119.A N LEU 115.A O no hydrogen 2.819 N/A GLY 120.A N GLN 116.A O no hydrogen 2.804 N/A LYS 121.A N GLN 116.A O no hydrogen 3.182 N/A ARG 123.A N GLN 116.A OE1 no hydrogen 2.802 N/A ARG 123.A NE GLN 116.A OE1 no hydrogen 3.240 N/A ARG 123.A NH1 ASN 191.A OD1 no hydrogen 2.920 N/A ARG 123.A NH2 GLU 190.A OE1 no hydrogen 2.896 N/A ARG 123.A NH2 ASN 191.A OD1 no hydrogen 3.069 N/A ASN 125.A N ILE 122.A O no hydrogen 2.954 N/A ILE 126.A N ARG 123.A O no hydrogen 3.120 N/A LEU 128.A N PHE 180.A O no hydrogen 2.811 N/A LEU 130.A N ARG 175.A O no hydrogen 2.888 N/A LEU 133.A N GLY 129.A O no hydrogen 3.051 N/A ASP 134.A N LEU 130.A O no hydrogen 2.988 N/A SER 135.A N PRO 131.A O no hydrogen 3.120 N/A SER 135.A OG PRO 131.A O no hydrogen 3.340 N/A ALA 136.A N ALA 132.A O no hydrogen 2.945 N/A ILE 137.A N LEU 133.A O no hydrogen 2.937 N/A THR 138.A N ASP 134.A O no hydrogen 3.069 N/A THR 138.A OG1 ASP 134.A O no hydrogen 3.299 N/A THR 139.A N SER 135.A O no hydrogen 2.914 N/A THR 139.A OG1 SER 135.A O no hydrogen 2.768 N/A LEU 140.A N ALA 136.A O no hydrogen 2.971 N/A PHE 141.A N ILE 137.A O no hydrogen 2.878 N/A TYR 142.A N THR 138.A O no hydrogen 3.007 N/A TYR 142.A OH GLU 59.A OE2 no hydrogen 2.548 N/A SER 147.A N ASN 144.A O no hydrogen 2.960 N/A SER 147.A OG ASN 144.A O no hydrogen 3.324 N/A ALA 148.A N ASN 144.A O no hydrogen 3.118 N/A ALA 151.A N SER 147.A O no hydrogen 3.436 N/A LEU 152.A N ALA 148.A O no hydrogen 2.864 N/A MET 153.A N ALA 149.A O no hydrogen 3.033 N/A VAL 154.A N SER 150.A O no hydrogen 3.082 N/A LEU 155.A N ALA 151.A O no hydrogen 2.855 N/A ILE 156.A N LEU 152.A O no hydrogen 2.888 N/A GLN 157.A N MET 153.A O no hydrogen 3.097 N/A GLN 157.A NE2 GLU 190.A OE2 no hydrogen 2.607 N/A SER 158.A N VAL 154.A O no hydrogen 2.913 N/A SER 158.A OG VAL 154.A O no hydrogen 2.659 N/A THR 159.A N ILE 156.A O no hydrogen 3.269 N/A THR 159.A OG1 LEU 155.A O no hydrogen 2.736 N/A SER 160.A N THR 159.A OG1 no hydrogen 2.803 N/A SER 160.A OG VAL 70.A O no hydrogen 2.784 N/A GLU 161.A N ILE 156.A O no hydrogen 3.126 N/A ALA 162.A N GLN 157.A O no hydrogen 3.234 N/A ALA 163.A N THR 159.A O no hydrogen 2.915 N/A ARG 164.A N SER 160.A O no hydrogen 3.194 N/A ARG 164.A NH1 ASN 69.A O no hydrogen 2.778 N/A ARG 164.A NH2 GLU 161.A OE2 no hydrogen 2.888 N/A TYR 165.A N GLU 161.A O no hydrogen 3.026 N/A TYR 165.A OH LEU 189.A O no hydrogen 2.697 N/A LYS 166.A N ASN 237.A O no hydrogen 2.938 N/A PHE 167.A N ASN 237.A OD1 no hydrogen 2.944 N/A GLU 169.A N TYR 165.A O no hydrogen 3.061 N/A GLN 170.A N LYS 166.A O no hydrogen 2.828 N/A GLN 171.A N PHE 167.A O no hydrogen 2.962 N/A ILE 172.A N ILE 168.A O no hydrogen 3.034 N/A GLY 173.A N GLU 169.A O no hydrogen 2.967 N/A LYS 174.A N GLN 170.A O no hydrogen 3.130 N/A ARG 175.A N ILE 172.A O no hydrogen 3.199 N/A ARG 175.A NH2 GLN 171.A O no hydrogen 2.927 N/A ARG 175.A NH2 GLN 171.A OE1 no hydrogen 2.889 N/A PHE 180.A N LEU 128.A O no hydrogen 2.976 N/A ILE 187.A N SER 183.A O no hydrogen 3.220 N/A SER 188.A N LEU 184.A O no hydrogen 2.855 N/A LEU 189.A N ALA 185.A O no hydrogen 3.002 N/A GLU 190.A N ILE 186.A O no hydrogen 2.959 N/A ASN 191.A N ILE 187.A O no hydrogen 2.881 N/A SER 192.A N SER 188.A O no hydrogen 2.856 N/A SER 192.A N LEU 189.A O no hydrogen 3.247 N/A SER 192.A OG SER 188.A O no hydrogen 2.935 N/A TRP 193.A NE1 LEU 240.A O no hydrogen 2.921 N/A LEU 196.A N SER 192.A O no hydrogen 2.885 N/A SER 197.A N TRP 193.A O no hydrogen 2.927 N/A SER 197.A OG TRP 193.A O no hydrogen 2.888 N/A LYS 198.A N SER 194.A O no hydrogen 2.913 N/A GLN 199.A N ALA 195.A O no hydrogen 2.993 N/A ILE 200.A N LEU 196.A O no hydrogen 2.882 N/A GLN 201.A N SER 197.A O no hydrogen 3.181 N/A GLN 201.A NE2 SER 197.A O no hydrogen 2.866 N/A GLN 201.A NE2 LEU 242.A O no hydrogen 2.756 N/A ILE 202.A N LYS 198.A O no hydrogen 3.033 N/A ALA 203.A N GLN 199.A O no hydrogen 2.783 N/A SER 204.A N ILE 200.A O no hydrogen 3.188 N/A SER 204.A N GLN 201.A O no hydrogen 3.198 N/A SER 204.A OG GLN 201.A O no hydrogen 2.676 N/A THR 205.A N ILE 202.A O no hydrogen 2.980 N/A THR 205.A OG1 ILE 202.A O no hydrogen 2.958 N/A ASN 206.A N ALA 203.A O no hydrogen 2.869 N/A ASN 206.A ND2 GLN 209.A O no hydrogen 2.709 N/A GLY 208.A N ALA 203.A O no hydrogen 2.869 N/A GLN 209.A N ASN 206.A O no hydrogen 3.141 N/A PHE 210.A N THR 227.A O no hydrogen 2.842 N/A GLU 211.A N GLN 199.A OE1 no hydrogen 2.755 N/A SER 212.A N GLN 199.A OE1 no hydrogen 3.004 N/A VAL 214.A N ILE 226.A O no hydrogen 2.991 N/A LEU 216.A N VAL 224.A O no hydrogen 2.961 N/A ILE 217.A N SER 188.A OG no hydrogen 3.112 N/A ASN 218.A N GLN 222.A O no hydrogen 2.999 N/A ASN 218.A ND2 GLN 222.A OE1 no hydrogen 2.915 N/A GLN 220.A N ASN 218.A OD1 no hydrogen 2.703 N/A ASN 221.A N ASN 218.A O no hydrogen 3.058 N/A GLN 222.A N ASN 218.A OD1 no hydrogen 2.919 N/A VAL 224.A N LEU 216.A O no hydrogen 2.840 N/A ILE 226.A N VAL 214.A O no hydrogen 2.843 N/A VAL 229.A N GLY 208.A O no hydrogen 3.010 N/A ASP 230.A N ASN 228.A OD1 no hydrogen 2.851 N/A ALA 231.A N ASN 228.A O no hydrogen 3.364 N/A VAL 234.A N ALA 231.A O no hydrogen 2.937 N/A THR 235.A N ALA 231.A O no hydrogen 3.071 N/A THR 235.A OG1 ALA 231.A O no hydrogen 3.319 N/A THR 235.A OG1 GLY 232.A O no hydrogen 3.410 N/A SER 236.A N GLY 232.A O no hydrogen 2.895 N/A SER 236.A OG GLY 232.A O no hydrogen 2.987 N/A ILE 238.A N VAL 233.A O no hydrogen 2.898 N/A ALA 239.A N ARG 164.A O no hydrogen 2.809 N/A LEU 241.A N PRO 36.A O no hydrogen 2.958 N/A LEU 242.A N SER 197.A OG no hydrogen 2.891 N/A ASN 243.A ND2 LEU 38.A O no hydrogen 3.108 N/A ARG 244.A N GLN 201.A OE1 no hydrogen 2.914 N/A ASN 245.A N ASN 243.A OD1 no hydrogen 3.033 N/A ASN 246.A N ASN 243.A O no hydrogen 2.939 N/A