Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dkq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N LEU 7.A O no hydrogen 2.747 N/A GLN 5.A NE2 GLU 9.A OE2 no hydrogen 2.948 N/A GLN 5.A NE2 GLN 141.A OE1 no hydrogen 3.697 N/A ILE 8.A N LEU 152.A O no hydrogen 2.947 N/A ILE 10.A N LEU 150.A O no hydrogen 2.744 N/A ASN 12.A N SER 149.A OG no hydrogen 3.400 N/A ASN 12.A ND2.B ASN 12.A O no hydrogen 2.664 N/A VAL 13.A N GLY 148.A O no hydrogen 2.806 N/A PHE 14.A N GLY 148.A O no hydrogen 3.270 N/A SER 15.A N GLU 18.A OE1 no hydrogen 2.893 N/A SER 15.A OG GLN 17.A OE1.B no hydrogen 3.503 N/A LYS 16.A NZ GLU 123.A OE1 no hydrogen 3.212 N/A LYS 16.A NZ GLU 123.A OE2 no hydrogen 2.684 N/A LYS 16.A NZ ALA 147.A O no hydrogen 2.809 N/A GLU 18.A N SER 15.A OG no hydrogen 3.224 N/A VAL 19.A N SER 15.A O no hydrogen 2.876 N/A SER 20.A N LYS 16.A O no hydrogen 2.987 N/A HIS 21.A N GLN 17.A O no hydrogen 3.111 N/A LEU 22.A N GLU 18.A O no hydrogen 2.813 N/A ARG 23.A N VAL 19.A O no hydrogen 2.814 N/A ARG 23.A NE ASP 27.A OD1 no hydrogen 2.930 N/A ARG 23.A NH1 LEU 121.A O no hydrogen 2.961 N/A ARG 23.A NH1 GLU 168.A OE2 no hydrogen 3.126 N/A ARG 23.A NH2 ASP 27.A OD1 no hydrogen 3.187 N/A ARG 23.A NH2 ASP 27.A OD2 no hydrogen 3.124 N/A ARG 23.A NH2 GLU 168.A OE2 no hydrogen 3.237 N/A GLU 24.A N SER 20.A O no hydrogen 2.934 N/A GLN 25.A N HIS 21.A O no hydrogen 3.213 N/A GLN 25.A NE2 HIS 21.A O no hydrogen 3.122 N/A LEU 26.A N LEU 22.A O no hydrogen 2.856 N/A ASP 27.A N ARG 23.A O no hydrogen 2.730 N/A ARG 29.A N LEU 26.A O no hydrogen 3.107 N/A ARG 29.A NE ASP 54.A OD1 no hydrogen 3.014 N/A ARG 29.A NE ASP 54.A OD2 no hydrogen 3.395 N/A ARG 29.A NH2 ASP 54.A OD1 no hydrogen 3.191 N/A ARG 29.A NH2 ASP 54.A OD2 no hydrogen 3.253 N/A TRP 31.A NE1 LEU 26.A O no hydrogen 3.090 N/A ILE 32.A N GLN 49.A O no hydrogen 2.840 N/A GLY 34.A N ASN 47.A O no hydrogen 2.782 N/A THR 37.A OG1 THR 43.A O no hydrogen 3.336 N/A THR 43.A OG1 ALA 41.A O no hydrogen 2.935 N/A LYS 45.A NZ GLN 36.A O no hydrogen 3.212 N/A LYS 45.A NZ GLN 49.A OE1 no hydrogen 3.066 N/A ARG 46.A N THR 95.A O no hydrogen 2.903 N/A ARG 46.A NH2.A GLY 93.A O no hydrogen 3.232 N/A ARG 46.A NH2.B GLY 92.A O no hydrogen 3.029 N/A ASN 47.A N GLY 34.A O no hydrogen 2.973 N/A ASN 47.A ND2 GLN 49.A OE1 no hydrogen 3.375 N/A ASN 47.A ND2 TYR 90.A OH no hydrogen 3.258 N/A GLN 48.A N ARG 89.A O no hydrogen 3.066 N/A GLN 48.A NE2.A GLN 91.A OE1 no hydrogen 2.837 N/A GLN 48.A NE2.A GLU 94.A OE1 no hydrogen 2.910 N/A GLN 48.A NE2.B ASP 33.A OD1 no hydrogen 2.558 N/A GLN 49.A N ILE 32.A O no hydrogen 3.166 N/A LEU 50.A N PHE 87.A O no hydrogen 3.153 N/A ASP 53.A N ASP 51.A OD2 no hydrogen 2.858 N/A ASP 54.A N ASP 51.A O no hydrogen 3.040 N/A ALA 57.A N ASP 54.A OD1 no hydrogen 3.157 N/A VAL 58.A N ASP 54.A O no hydrogen 2.828 N/A ALA 59.A N PRO 55.A O no hydrogen 2.864 N/A LEU 60.A N VAL 56.A O no hydrogen 2.957 N/A GLY 61.A N ALA 57.A O no hydrogen 2.894 N/A GLN 62.A N VAL 58.A O no hydrogen 2.984 N/A GLN 62.A NE2 ASP 65.A OD1 no hydrogen 3.061 N/A GLN 63.A N ALA 59.A O no hydrogen 2.991 N/A ILE 64.A N LEU 60.A O no hydrogen 2.922 N/A ARG 66.A N GLN 63.A O no hydrogen 2.968 N/A ARG 66.A NH1 VAL 13.A O no hydrogen 3.169 N/A ARG 66.A NH1 GLU 18.A OE1 no hydrogen 2.949 N/A ARG 66.A NH1 GLU 18.A OE2 no hydrogen 3.544 N/A ARG 66.A NH2 GLU 18.A OE2 no hydrogen 3.091 N/A LEU 67.A N ILE 64.A O no hydrogen 2.849 N/A ALA 69.A N ASP 65.A O no hydrogen 3.159 N/A HIS 70.A N LEU 67.A O no hydrogen 3.031 N/A PHE 73.A N HIS 70.A ND1 no hydrogen 3.376 N/A VAL 74.A N HIS 70.A O no hydrogen 2.928 N/A SER 75.A N PRO 71.A O no hydrogen 2.884 N/A SER 75.A OG ASP 191.A OD2 no hydrogen 2.446 N/A ALA 76.A N GLN 72.A O no hydrogen 2.982 N/A ALA 77.A N PHE 73.A O no hydrogen 2.913 N/A LEU 78.A N VAL 74.A O no hydrogen 2.794 N/A LEU 80.A N GLN 176.A O no hydrogen 2.862 N/A GLN 81.A N GLN 176.A O no hydrogen 3.143 N/A GLN 81.A NE2 ASP 109.A O no hydrogen 3.427 N/A TYR 83.A N TRP 174.A O no hydrogen 2.842 N/A LEU 86.A N PHE 173.A O no hydrogen 2.849 N/A ASN 88.A N ALA 171.A O no hydrogen 2.942 N/A ARG 89.A N GLN 48.A O no hydrogen 2.798 N/A ARG 89.A NE.A GLU 168.A OE1 no hydrogen 3.409 N/A ARG 89.A NE.A THR 170.A OG1 no hydrogen 2.930 N/A ARG 89.A NE.B GLN 48.A OE1.A no hydrogen 2.918 N/A ARG 89.A NE.B GLN 48.A OE1.B no hydrogen 3.223 N/A ARG 89.A NH2.A ASP 27.A OD1 no hydrogen 2.805 N/A ARG 89.A NH2.A THR 170.A OG1 no hydrogen 3.151 N/A ARG 89.A NH2.B GLN 48.A OE1.A no hydrogen 2.293 N/A ARG 89.A NH2.B GLN 48.A OE1.B no hydrogen 2.448 N/A TYR 90.A N ARG 169.A O no hydrogen 2.895 N/A GLN 91.A N GLU 94.A OE1 no hydrogen 2.954 N/A GLY 93.A N VAL 164.A O no hydrogen 2.766 N/A GLU 94.A N GLN 91.A O no hydrogen 3.093 N/A THR 95.A N ARG 46.A O no hydrogen 2.866 N/A THR 95.A OG1 VAL 161.A O no hydrogen 2.631 N/A PHE 96.A N VAL 161.A O no hydrogen 2.996 N/A GLY 97.A N ARG 44.A O no hydrogen 2.818 N/A HIS 99.A N HIS 159.A O no hydrogen 3.027 N/A HIS 99.A ND1 GLY 97.A O no hydrogen 2.723 N/A ASN 102.A N GLY 39.A O no hydrogen 2.728 N/A ASN 102.A ND2 ALA 40.A O no hydrogen 3.512 N/A ARG 105.A N ILE 111.A O no hydrogen 2.906 N/A THR 107.A N GLY 110.A O no hydrogen 3.038 N/A THR 107.A OG1 GLY 110.A O no hydrogen 2.628 N/A ASP 109.A N THR 107.A OG1 no hydrogen 3.225 N/A GLY 110.A N THR 107.A O no hydrogen 3.062 N/A ARG 112.A N GLN 176.A OE1 no hydrogen 2.934 N/A ARG 112.A NE ASP 114.A OD1 no hydrogen 2.700 N/A ARG 112.A NH2 ASP 114.A OD1 no hydrogen 3.550 N/A ARG 112.A NH2 ASP 114.A OD2 no hydrogen 2.871 N/A THR 113.A N ALA 103.A O no hydrogen 2.763 N/A THR 113.A OG1 ASN 102.A O no hydrogen 2.629 N/A THR 113.A OG1 ALA 103.A O no hydrogen 3.142 N/A THR 113.A OG1 THR 113.A O no hydrogen 2.682 N/A ASP 114.A N ARG 112.A O no hydrogen 3.024 N/A LEU 115.A N LEU 175.A O no hydrogen 3.134 N/A SER 116.A N TYR 153.A O no hydrogen 2.624 N/A SER 116.A OG ASP 101.A OD2 no hydrogen 3.244 N/A SER 116.A OG SER 155.A OG no hydrogen 2.805 N/A THR 118.A N VAL 151.A O no hydrogen 3.119 N/A LEU 119.A N ALA 172.A O no hydrogen 2.761 N/A PHE 120.A N SER 149.A O no hydrogen 3.001 N/A LEU 121.A N THR 170.A O no hydrogen 2.897 N/A SER 122.A OG GLU 168.A O no hydrogen 3.195 N/A SER 122.A OG GLU 168.A OE1 no hydrogen 3.348 N/A SER 122.A OG GLU 168.A OE2 no hydrogen 3.157 N/A ASN 126.A N GLU 123.A O no hydrogen 2.972 N/A GLN 128.A N SER 166.A O no hydrogen 2.953 N/A GLY 130.A N PRO 163.A O no hydrogen 3.256 N/A GLU 131.A N THR 162.A OG1 no hydrogen 2.952 N/A LEU 132.A N ILE 143.A O no hydrogen 2.918 N/A VAL 133.A N GLN 160.A O no hydrogen 2.923 N/A ILE 134.A N GLN 141.A O no hydrogen 2.786 N/A GLN 135.A N LEU 158.A O no hydrogen 2.761 N/A ASP 136.A N GLY 139.A O no hydrogen 2.862 N/A GLN 141.A N ILE 134.A O no hydrogen 2.872 N/A ILE 143.A N LEU 132.A O no hydrogen 2.767 N/A LYS 144.A NZ PRO 124.A O no hydrogen 2.964 N/A LYS 144.A NZ TYR 127.A O no hydrogen 2.733 N/A LYS 144.A NZ GLY 129.A O no hydrogen 3.046 N/A ALA 147.A N GLU 123.A OE1 no hydrogen 2.970 N/A GLY 148.A N PHE 120.A O no hydrogen 2.718 N/A SER 149.A N SER 146.A O no hydrogen 2.989 N/A SER 149.A OG SER 146.A O no hydrogen 3.439 N/A LEU 150.A N ILE 10.A O no hydrogen 2.930 N/A VAL 151.A N THR 118.A O no hydrogen 3.006 N/A LEU 152.A N ILE 8.A O no hydrogen 2.830 N/A TYR 153.A N SER 116.A O no hydrogen 2.869 N/A SER 155.A OG THR 113.A O no hydrogen 3.172 N/A SER 155.A OG SER 116.A OG no hydrogen 2.805 N/A SER 157.A N PRO 154.A O no hydrogen 3.325 N/A SER 157.A OG PRO 154.A O no hydrogen 2.782 N/A LEU 158.A N GLN 135.A O no hydrogen 2.926 N/A HIS 159.A N HIS 99.A O no hydrogen 2.986 N/A HIS 159.A ND1 SER 157.A O no hydrogen 2.726 N/A GLN 160.A N VAL 133.A O no hydrogen 3.131 N/A VAL 161.A N PHE 96.A O no hydrogen 2.775 N/A THR 162.A N GLU 131.A O no hydrogen 2.980 N/A VAL 164.A N GLU 94.A O no hydrogen 3.138 N/A LEU 165.A N GLN 128.A O no hydrogen 2.923 N/A ARG 169.A N TYR 90.A O no hydrogen 3.011 N/A ARG 169.A NE GLY 130.A O no hydrogen 3.043 N/A THR 170.A N SER 122.A OG no hydrogen 2.952 N/A THR 170.A OG1 GLU 168.A OE1 no hydrogen 2.528 N/A ALA 171.A N ASN 88.A O no hydrogen 2.961 N/A ALA 172.A N LEU 119.A O no hydrogen 3.007 N/A PHE 173.A N LEU 86.A O no hydrogen 2.729 N/A TRP 174.A NE1 ASP 101.A OD2 no hydrogen 3.029 N/A LEU 175.A N LEU 115.A O no hydrogen 2.884 N/A GLN 176.A N GLN 81.A O no hydrogen 2.864 N/A SER 177.A N ASP 114.A OD2 no hydrogen 2.750 N/A SER 177.A OG ALA 77.A O no hydrogen 2.670 N/A SER 177.A OG LEU 78.A O no hydrogen 3.108 N/A SER 177.A OG VAL 178.A O no hydrogen 3.360 N/A ARG 179.A NH1 GLU 223.A OE1 no hydrogen 3.049 N/A ARG 179.A NH1 GLU 223.A OE2 no hydrogen 3.503 N/A GLN 183.A N ASP 180.A OD2 no hydrogen 2.864 N/A ARG 184.A N ASP 180.A O no hydrogen 3.080 N/A ARG 184.A NH1 VAL 178.A O no hydrogen 2.936 N/A ARG 185.A N GLU 181.A O no hydrogen 2.956 N/A ARG 185.A NH1 GLY 6.A O no hydrogen 3.263 N/A ARG 185.A NH2 GLY 6.A O no hydrogen 3.212 N/A LEU 186.A N GLY 182.A O no hydrogen 3.104 N/A LEU 187.A N GLN 183.A O no hydrogen 3.022 N/A PHE 188.A N ARG 184.A O no hydrogen 3.018 N/A GLN 189.A N ARG 185.A O no hydrogen 2.951 N/A LEU 190.A N LEU 186.A O no hydrogen 2.977 N/A ASP 191.A N LEU 187.A O no hydrogen 2.911 N/A GLN 192.A N PHE 188.A O no hydrogen 2.842 N/A SER 193.A N GLN 189.A O no hydrogen 3.077 N/A SER 193.A OG GLN 189.A O no hydrogen 3.008 N/A SER 193.A OG GLN 189.A OE1 no hydrogen 3.301 N/A ILE 194.A N LEU 190.A O no hydrogen 3.041 N/A GLN 195.A N ASP 191.A O no hydrogen 3.003 N/A GLN 195.A NE2 ASP 191.A OD1 no hydrogen 3.054 N/A SER 196.A N GLN 192.A O no hydrogen 2.967 N/A SER 196.A OG GLN 192.A O no hydrogen 3.228 N/A LEU 197.A N SER 193.A O no hydrogen 2.918 N/A THR 198.A N ILE 194.A O no hydrogen 2.894 N/A THR 198.A OG1 ILE 194.A O no hydrogen 2.636 N/A ALA 199.A N GLN 195.A O no hydrogen 2.973 N/A GLN 200.A N SER 196.A O no hydrogen 2.850 N/A THR 201.A N THR 198.A O no hydrogen 2.806 N/A ALA 202.A N LEU 197.A O no hydrogen 2.859 N/A GLN 205.A NE2 GLN 205.A O no hydrogen 3.085 N/A GLU 206.A N ALA 203.A O no hydrogen 3.001 N/A LEU 207.A N ALA 203.A O no hydrogen 3.108 N/A PHE 208.A N GLU 204.A O no hydrogen 2.892 N/A ASN 209.A N GLN 205.A O no hydrogen 2.911 N/A LEU 210.A N GLU 206.A O no hydrogen 2.918 N/A SER 211.A N LEU 207.A O no hydrogen 2.944 N/A SER 211.A OG LEU 207.A O no hydrogen 3.004 N/A GLY 212.A N PHE 208.A O no hydrogen 3.012 N/A VAL 213.A N ASN 209.A O no hydrogen 3.078 N/A TYR 214.A N LEU 210.A O no hydrogen 2.850 N/A HIS 215.A N SER 211.A O no hydrogen 2.876 N/A ASN 216.A N GLY 212.A O no hydrogen 2.953 N/A LEU 217.A N VAL 213.A O no hydrogen 2.982 N/A LEU 218.A N TYR 214.A O no hydrogen 2.840 N/A ARG 219.A N HIS 215.A O no hydrogen 2.942 N/A ARG 220.A N ASN 216.A O no hydrogen 3.008 N/A ARG 220.A NE ASN 216.A OD1 no hydrogen 2.649 N/A ARG 220.A NH2 ASN 216.A OD1 no hydrogen 3.501 N/A TRP 221.A N LEU 217.A O no hydrogen 2.954 N/A SER 222.A N LEU 218.A O no hydrogen 2.947 N/A SER 222.A OG LEU 218.A O no hydrogen 2.597 N/A