Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pq4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N LEU 23.A O no hydrogen 2.912 N/A ASP 4.A N GLU 53.A OE1 no hydrogen 2.980 N/A ILE 5.A N ARG 25.A O no hydrogen 3.032 N/A THR 6.A N ALA 54.A O no hydrogen 3.014 N/A VAL 7.A N SER 27.A O no hydrogen 2.903 N/A SER 8.A OG TYR 55.A OH no hydrogen 2.651 N/A SER 8.A OG GLU 63.A OE2 no hydrogen 2.619 N/A ILE 9.A N GLN 12.A OE1 no hydrogen 2.972 N/A GLN 12.A N ILE 9.A O no hydrogen 2.946 N/A GLN 12.A NE2 VAL 56.A O no hydrogen 3.189 N/A GLN 13.A N PRO 10.A O no hydrogen 2.780 N/A PHE 15.A N PRO 11.A O no hydrogen 3.260 N/A LEU 16.A N GLN 12.A O no hydrogen 2.894 N/A GLU 17.A N GLN 13.A O no hydrogen 2.829 N/A LYS 18.A N TYR 14.A O no hydrogen 3.019 N/A LYS 18.A NZ GLU 139.A OE1 no hydrogen 2.704 N/A LYS 18.A NZ GLU 139.A OE2 no hydrogen 3.227 N/A ILE 19.A N PHE 15.A O no hydrogen 3.010 N/A GLY 20.A N LEU 16.A O no hydrogen 2.684 N/A GLY 21.A N GLU 17.A O no hydrogen 2.830 N/A LEU 23.A N GLY 20.A O no hydrogen 3.021 N/A VAL 24.A N GLY 21.A O no hydrogen 3.382 N/A ARG 25.A N MET 3.A O no hydrogen 2.834 N/A ARG 25.A NH1 ASP 4.A OD1 no hydrogen 3.480 N/A SER 27.A N ILE 5.A O no hydrogen 2.894 N/A LEU 29.A N VAL 7.A O no hydrogen 2.974 N/A VAL 30.A N SER 8.A O no hydrogen 2.916 N/A ASN 34.A N PRO 31.A O no hydrogen 3.125 N/A ASN 34.A ND2 ASN 33.A OD1 no hydrogen 2.536 N/A HIS 37.A N ASP 35.A OD1 no hydrogen 2.844 N/A THR 38.A N ASP 35.A O no hydrogen 3.321 N/A THR 38.A OG1 ASP 35.A OD2 no hydrogen 3.205 N/A TYR 39.A N PRO 36.A O no hydrogen 3.394 N/A TYR 39.A OH LEU 29.A O no hydrogen 3.426 N/A TYR 39.A OH GLN 45.A OE1 no hydrogen 2.699 N/A LYS 42.A N GLN 45.A OE1 no hydrogen 2.915 N/A GLN 45.A N LYS 42.A O no hydrogen 2.891 N/A GLN 45.A NE2 LEU 29.A O no hydrogen 2.596 N/A LEU 46.A N LYS 42.A O no hydrogen 3.095 N/A ALA 47.A N PRO 43.A O no hydrogen 3.107 N/A ALA 48.A N GLN 44.A O no hydrogen 3.213 N/A LEU 49.A N GLN 45.A O no hydrogen 3.124 N/A LEU 49.A N LEU 46.A O no hydrogen 3.258 N/A SER 50.A N ALA 47.A O no hydrogen 3.221 N/A SER 50.A OG ALA 47.A O no hydrogen 3.103 N/A GLU 51.A N ALA 48.A O no hydrogen 3.211 N/A ALA 52.A N LEU 49.A O no hydrogen 3.066 N/A GLU 53.A N ASP 4.A O no hydrogen 2.758 N/A TYR 55.A N LYS 78.A O no hydrogen 2.838 N/A TYR 55.A OH SER 8.A OG no hydrogen 2.651 N/A VAL 56.A N THR 6.A O no hydrogen 2.770 N/A LEU 57.A N ILE 80.A O no hydrogen 2.839 N/A ILE 58.A N GLU 63.A OE2 no hydrogen 2.620 N/A GLY 59.A N GLU 63.A OE1 no hydrogen 3.001 N/A PHE 62.A N GLY 59.A O no hydrogen 2.858 N/A GLN 64.A N GLY 61.A O no hydrogen 3.057 N/A TRP 66.A N GLU 63.A O no hydrogen 2.835 N/A TRP 66.A NE1 TYR 39.A O no hydrogen 2.655 N/A LEU 67.A N GLN 64.A O no hydrogen 3.421 N/A LEU 70.A N TRP 66.A O no hydrogen 2.918 N/A LYS 71.A N LEU 67.A O no hydrogen 3.124 N/A LYS 71.A NZ GLU 68.A OE2 no hydrogen 3.194 N/A ALA 72.A N GLU 68.A O no hydrogen 3.064 N/A ALA 73.A N LYS 69.A O no hydrogen 3.023 N/A ASN 74.A N LEU 70.A O no hydrogen 3.207 N/A ASN 74.A ND2 LEU 49.A O no hydrogen 2.749 N/A ASN 74.A ND2 ALA 52.A O no hydrogen 2.929 N/A ASN 76.A N ASN 74.A OD1 no hydrogen 3.048 N/A MET 77.A N ASN 74.A OD1 no hydrogen 3.252 N/A LYS 78.A N GLU 53.A O no hydrogen 3.050 N/A ILE 80.A N TYR 55.A O no hydrogen 2.824 N/A SER 82.A N LEU 57.A O no hydrogen 3.085 N/A SER 82.A OG LEU 57.A O no hydrogen 2.711 N/A ALA 83.A N ASP 81.A OD1 no hydrogen 3.063 N/A GLN 84.A N ASP 81.A O no hydrogen 3.335 N/A ILE 86.A N ALA 83.A O no hydrogen 3.013 N/A LEU 89.A N TYR 168.A OH no hydrogen 2.803 N/A MET 91.A N VAL 95.A O no hydrogen 2.948 N/A ASP 97.A N LEU 89.A O no hydrogen 2.731 N/A HIS 99.A N ASP 97.A OD1 no hydrogen 2.937 N/A HIS 99.A ND1 ASP 97.A OD1 no hydrogen 2.561 N/A HIS 99.A NE2 HIS 37.A NE2 no hydrogen 3.195 N/A ILE 100.A N PRO 98.A O no hydrogen 2.673 N/A TRP 101.A NE1 PRO 234.A O no hydrogen 2.809 N/A SER 103.A N ILE 100.A O no hydrogen 3.493 N/A SER 103.A OG ASP 172.A OD2 no hydrogen 2.514 N/A LEU 106.A N SER 103.A OG no hydrogen 3.205 N/A VAL 107.A N SER 103.A O no hydrogen 2.787 N/A LYS 108.A N PRO 104.A O no hydrogen 3.115 N/A LYS 108.A NZ GLU 141.A OE2 no hydrogen 2.892 N/A GLN 110.A N LEU 106.A O no hydrogen 3.007 N/A GLN 110.A NE2 ILE 100.A O no hydrogen 2.985 N/A ALA 111.A N VAL 107.A O no hydrogen 2.779 N/A THR 112.A N LYS 108.A O no hydrogen 3.070 N/A THR 112.A OG1 LYS 108.A O no hydrogen 2.898 N/A THR 113.A N ARG 109.A O no hydrogen 3.127 N/A THR 113.A OG1 ARG 109.A O no hydrogen 3.207 N/A ILE 114.A N GLN 110.A O no hydrogen 2.885 N/A ALA 115.A N ALA 111.A O no hydrogen 2.924 N/A LYS 116.A N THR 112.A O no hydrogen 2.974 N/A GLU 117.A N THR 113.A O no hydrogen 2.960 N/A LEU 118.A N ILE 114.A O no hydrogen 2.797 N/A ALA 119.A N ALA 115.A O no hydrogen 2.877 N/A GLU 120.A N LYS 116.A O no hydrogen 3.256 N/A GLU 120.A N GLU 117.A O no hydrogen 3.213 N/A LEU 121.A N GLU 117.A O no hydrogen 3.164 N/A ASP 122.A N LEU 118.A O no hydrogen 2.865 N/A ASN 125.A N ASP 122.A O no hydrogen 3.009 N/A ASN 125.A ND2 ASP 122.A OD1 no hydrogen 3.278 N/A ASN 125.A ND2 ASP 122.A OD2 no hydrogen 2.862 N/A ARG 126.A N PRO 123.A O no hydrogen 3.171 N/A ARG 126.A NH2 GLU 120.A OE2 no hydrogen 2.911 N/A GLN 128.A NE2 GLN 128.A O no hydrogen 3.645 N/A GLN 128.A NE2 ASN 132.A OD1 no hydrogen 2.896 N/A TYR 129.A N ASN 125.A O no hydrogen 3.040 N/A TYR 129.A OH ASP 122.A OD2 no hydrogen 2.632 N/A GLU 130.A N ARG 126.A O no hydrogen 3.047 N/A ALA 131.A N ASP 127.A O no hydrogen 3.004 N/A ASN 132.A N GLN 128.A O no hydrogen 2.786 N/A ASN 132.A ND2 ILE 19.A O no hydrogen 2.812 N/A LEU 133.A N TYR 129.A O no hydrogen 2.813 N/A ALA 134.A N GLU 130.A O no hydrogen 2.943 N/A ALA 135.A N ALA 131.A O no hydrogen 2.967 N/A PHE 136.A N ASN 132.A O no hydrogen 2.956 N/A LEU 137.A N LEU 133.A O no hydrogen 2.755 N/A ALA 138.A N ALA 134.A O no hydrogen 3.086 N/A GLU 139.A N ALA 135.A O no hydrogen 3.072 N/A LEU 140.A N PHE 136.A O no hydrogen 2.897 N/A GLU 141.A N LEU 137.A O no hydrogen 3.075 N/A ARG 142.A N ALA 138.A O no hydrogen 3.082 N/A LEU 143.A N GLU 139.A O no hydrogen 2.849 N/A ASN 144.A N LEU 140.A O no hydrogen 2.823 N/A ASN 144.A ND2 GLU 141.A OE2 no hydrogen 3.217 N/A GLN 145.A N GLU 141.A O no hydrogen 2.987 N/A GLU 146.A N ARG 142.A O no hydrogen 2.954 N/A LEU 147.A N LEU 143.A O no hydrogen 2.823 N/A GLY 148.A N ASN 144.A O no hydrogen 3.007 N/A GLN 149.A N GLN 145.A O no hydrogen 2.922 N/A ILE 150.A N GLU 146.A O no hydrogen 3.151 N/A LEU 151.A N LEU 147.A O no hydrogen 2.980 N/A GLN 152.A N GLY 148.A O no hydrogen 2.805 N/A GLN 152.A NE2 ASN 174.A OD1 no hydrogen 3.670 N/A LEU 154.A N LEU 151.A O no hydrogen 3.491 N/A ARG 157.A NE LEU 154.A O no hydrogen 3.071 N/A ARG 157.A NH1 ASN 174.A O no hydrogen 2.997 N/A ARG 157.A NH2 LEU 151.A O no hydrogen 2.596 N/A ARG 157.A NH2 LEU 154.A O no hydrogen 2.908 N/A LYS 158.A N GLN 156.A OE1 no hydrogen 2.880 N/A LYS 158.A NZ ASN 202.A OD1 no hydrogen 2.874 N/A PHE 159.A N VAL 176.A O no hydrogen 2.972 N/A VAL 161.A N ILE 178.A O no hydrogen 3.011 N/A HIS 163.A N GLU 210.A OE1 no hydrogen 2.891 N/A HIS 163.A ND1 GLU 181.A OE1 no hydrogen 2.791 N/A HIS 163.A NE2 HIS 37.A NE2 no hydrogen 3.140 N/A SER 165.A N HIS 163.A O no hydrogen 2.843 N/A SER 165.A OG GLU 210.A OE2 no hydrogen 3.340 N/A TRP 166.A NE1 GLU 210.A OE2 no hydrogen 3.259 N/A TYR 168.A OH ASP 97.A O no hydrogen 2.613 N/A ALA 170.A N TRP 166.A O no hydrogen 2.774 N/A ARG 171.A N ALA 167.A O no hydrogen 2.949 N/A ASP 172.A N TYR 168.A O no hydrogen 2.920 N/A TYR 173.A N PHE 169.A O no hydrogen 3.203 N/A TYR 173.A OH ASN 144.A OD1 no hydrogen 2.804 N/A ASN 174.A N ARG 171.A O no hydrogen 3.338 N/A LEU 175.A N ALA 170.A O no hydrogen 2.876 N/A VAL 176.A N ARG 157.A O no hydrogen 2.841 N/A ILE 178.A N PHE 159.A O no hydrogen 2.774 N/A ILE 180.A N VAL 161.A O no hydrogen 2.840 N/A ILE 180.A N PHE 162.A O no hydrogen 3.317 N/A GLU 181.A N PHE 162.A O no hydrogen 2.973 N/A VAL 182.A N GLN 185.A O no hydrogen 2.745 N/A GLY 184.A N GLU 181.A OE2 no hydrogen 3.155 N/A GLN 185.A N VAL 182.A O no hydrogen 2.650 N/A SER 188.A N GLU 191.A OE1 no hydrogen 2.682 N/A SER 188.A OG GLU 191.A OE1 no hydrogen 2.677 N/A LEU 192.A N SER 188.A O no hydrogen 2.973 N/A LYS 193.A N ALA 189.A O no hydrogen 3.386 N/A GLN 194.A N GLN 190.A O no hydrogen 2.850 N/A LEU 195.A N GLU 191.A O no hydrogen 2.636 N/A ILE 196.A N LEU 192.A O no hydrogen 2.792 N/A ASP 197.A N LYS 193.A O no hydrogen 2.808 N/A THR 198.A N GLN 194.A O no hydrogen 2.936 N/A THR 198.A OG1 GLN 194.A O no hydrogen 2.937 N/A ALA 199.A N LEU 195.A O no hydrogen 3.001 N/A LYS 200.A N ILE 196.A O no hydrogen 2.845 N/A GLU 201.A N ASP 197.A O no hydrogen 2.632 N/A ASN 202.A ND2 THR 198.A O no hydrogen 2.843 N/A ASN 203.A N LYS 200.A O no hydrogen 2.918 N/A LEU 204.A N ALA 199.A O no hydrogen 3.132 N/A VAL 207.A N GLY 228.A O no hydrogen 2.826 N/A PHE 208.A N ILE 160.A O no hydrogen 2.967 N/A GLY 209.A N GLU 230.A O no hydrogen 2.875 N/A PHE 213.A N GLU 210.A O no hydrogen 3.166 N/A THR 215.A OG1 GLU 219.A OE2 no hydrogen 2.444 N/A LYS 216.A N SER 214.A OG no hydrogen 3.033 N/A SER 217.A OG GLU 186.A OE2 no hydrogen 2.336 N/A SER 218.A OG PHE 208.A O no hydrogen 3.303 N/A GLU 219.A N THR 215.A O no hydrogen 2.927 N/A ALA 220.A N LYS 216.A O no hydrogen 3.095 N/A ILE 221.A N SER 217.A O no hydrogen 2.938 N/A ALA 222.A N SER 218.A O no hydrogen 2.885 N/A ALA 223.A N GLU 219.A O no hydrogen 2.958 N/A GLU 224.A N ALA 220.A O no hydrogen 3.034 N/A ILE 225.A N ILE 221.A O no hydrogen 2.923 N/A ALA 227.A N ALA 222.A O no hydrogen 2.954 N/A GLY 228.A N THR 205.A O no hydrogen 3.143 N/A GLU 230.A N VAL 207.A O no hydrogen 3.070 N/A LEU 232.A N GLY 209.A O no hydrogen 2.862 N/A LEU 235.A N ASP 233.A OD1 no hydrogen 2.854 N/A ALA 236.A N ASP 233.A O no hydrogen 3.517 N/A TRP 239.A NE1 TRP 101.A O no hydrogen 2.660 N/A SER 241.A OG ASP 238.A O no hydrogen 3.339 N/A SER 241.A OG ASP 238.A OD2 no hydrogen 2.339 N/A ASN 242.A N ASP 238.A O no hydrogen 2.891 N/A LEU 243.A N TRP 239.A O no hydrogen 3.050 N/A LYS 244.A N SER 240.A O no hydrogen 3.182 N/A LYS 244.A NZ GLU 146.A OE1 no hydrogen 3.415 N/A LYS 244.A NZ GLU 146.A OE2 no hydrogen 3.098 N/A ALA 245.A N SER 241.A O no hydrogen 2.988 N/A VAL 246.A N ASN 242.A O no hydrogen 2.821 N/A ALA 247.A N LEU 243.A O no hydrogen 3.034 N/A GLN 248.A N LYS 244.A O no hydrogen 2.973 N/A LYS 249.A N ALA 245.A O no hydrogen 2.818 N/A LYS 249.A NZ LEU 231.A O no hydrogen 3.104 N/A ILE 250.A N VAL 246.A O no hydrogen 2.935 N/A ALA 251.A N ALA 247.A O no hydrogen 2.806 N/A ASN 252.A N GLN 248.A O no hydrogen 2.770 N/A ALA 253.A N LYS 249.A O no hydrogen 3.102 N/A ASN 254.A N ILE 250.A O no hydrogen 3.099 N/A ASN 254.A N ALA 251.A O no hydrogen 3.227 N/A