Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4lru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N LYS 42.A O no hydrogen 2.914 N/A MET 4.A N SER 2.A OG no hydrogen 3.195 N/A VAL 5.A N SER 2.A O no hydrogen 3.089 N/A LYS 6.A NZ HIS 3.A O no hydrogen 2.998 N/A VAL 7.A N GLU 45.A O no hydrogen 2.810 N/A LEU 8.A N ILE 102.A O no hydrogen 2.869 N/A LEU 9.A N GLN 47.A O no hydrogen 2.851 N/A ALA 10.A N PHE 104.A O no hydrogen 2.885 N/A LEU 11.A N ALA 49.A O no hydrogen 2.785 N/A THR 12.A OG1 ASP 114.A OD1 no hydrogen 2.738 N/A THR 12.A OG1 ASP 114.A OD2 no hydrogen 3.372 N/A SER 13.A N ASP 114.A OD2 no hydrogen 2.780 N/A SER 13.A OG ASP 114.A OD2 no hydrogen 2.743 N/A TYR 14.A N THR 12.A OG1 no hydrogen 3.083 N/A ASN 15.A ND2 THR 25.A O no hydrogen 2.925 N/A PHE 18.A N LYS 23.A O no hydrogen 3.001 N/A TYR 19.A N LYS 23.A O no hydrogen 3.202 N/A TYR 19.A OH ASP 58.A OD2 no hydrogen 2.630 N/A GLY 22.A N TYR 19.A O no hydrogen 2.895 N/A LYS 23.A N ASP 21.A OD1 no hydrogen 2.805 N/A LYS 24.A N ASP 59.A OD2 no hydrogen 2.824 N/A THR 25.A N GLU 16.A O no hydrogen 3.002 N/A THR 25.A OG1 ASP 58.A OD2 no hydrogen 2.746 N/A GLY 26.A N THR 25.A OG1 no hydrogen 2.751 N/A VAL 27.A N GLY 56.A O no hydrogen 2.819 N/A PHE 28.A N ALA 107.A O no hydrogen 2.892 N/A VAL 29.A N SER 61.A OG no hydrogen 3.080 N/A GLU 31.A N PHE 28.A O no hydrogen 2.874 N/A ALA 32.A N VAL 29.A O no hydrogen 3.019 N/A LEU 33.A N VAL 29.A O no hydrogen 2.904 N/A HIS 34.A N VAL 30.A O no hydrogen 2.843 N/A HIS 34.A NE2 ASP 71.A OD2 no hydrogen 2.716 N/A PHE 36.A N ALA 32.A O no hydrogen 3.034 N/A GLU 37.A N LEU 33.A O no hydrogen 2.915 N/A VAL 38.A N HIS 34.A O no hydrogen 2.925 N/A PHE 39.A N PRO 35.A O no hydrogen 2.954 N/A ARG 40.A N PHE 36.A O no hydrogen 2.810 N/A ARG 40.A NE GLU 37.A OE2 no hydrogen 2.919 N/A ARG 40.A NH2 GLU 37.A OE1 no hydrogen 2.836 N/A LYS 41.A N GLU 37.A O no hydrogen 2.907 N/A LYS 42.A N VAL 38.A O no hydrogen 3.067 N/A GLY 43.A N PHE 39.A O no hydrogen 3.182 N/A GLY 43.A N ARG 40.A O no hydrogen 2.963 N/A TYR 44.A N PHE 39.A O no hydrogen 3.155 N/A TYR 44.A OH GLU 237.A OE2 no hydrogen 2.640 N/A GLU 45.A N VAL 5.A O no hydrogen 2.957 N/A GLN 47.A N VAL 7.A O no hydrogen 2.783 N/A GLN 47.A NE2 LEU 48.A O no hydrogen 2.863 N/A GLN 47.A NE2 ASN 88.A O no hydrogen 3.009 N/A ALA 49.A N LEU 9.A O no hydrogen 3.021 N/A SER 50.A N LYS 90.A O no hydrogen 3.198 N/A SER 50.A OG THR 54.A O no hydrogen 2.784 N/A THR 52.A OG1 THR 54.A OG1 no hydrogen 2.659 N/A GLY 53.A N SER 50.A O no hydrogen 3.398 N/A THR 54.A N THR 52.A OG1 no hydrogen 3.039 N/A THR 54.A OG1 THR 52.A OG1 no hydrogen 2.659 N/A ASP 58.A N VAL 27.A O no hydrogen 2.822 N/A ASP 59.A N LYS 24.A O no hydrogen 2.932 N/A HIS 60.A N ASP 58.A OD1 no hydrogen 2.788 N/A HIS 60.A NE2 ASP 21.A OD2 no hydrogen 2.766 N/A SER 61.A N ASP 58.A O no hydrogen 2.943 N/A SER 61.A OG VAL 27.A O no hydrogen 3.492 N/A SER 61.A OG ASP 58.A O no hydrogen 2.730 N/A PHE 66.A N VAL 63.A O no hydrogen 2.927 N/A LEU 67.A N VAL 63.A O no hydrogen 2.918 N/A ASN 68.A ND2 PRO 64.A O no hydrogen 2.931 N/A LYS 72.A N ASN 68.A O no hydrogen 3.163 N/A LYS 72.A NZ ASP 76.A OD2 no hydrogen 2.733 N/A GLU 73.A N GLY 69.A O no hydrogen 3.230 N/A ILE 74.A N GLU 70.A O.A no hydrogen 2.995 N/A ILE 74.A N GLU 70.A O.B no hydrogen 2.907 N/A PHE 75.A N ASP 71.A O no hydrogen 2.847 N/A ASP 76.A N LYS 72.A O no hydrogen 2.766 N/A ASN 77.A N GLU 73.A O no hydrogen 2.930 N/A ASN 79.A N ASN 77.A OD1 no hydrogen 3.056 N/A SER 80.A N ASN 77.A O no hydrogen 2.897 N/A SER 80.A OG ILE 74.A O no hydrogen 2.893 N/A SER 80.A OG ASN 77.A O no hydrogen 3.018 N/A ASN 83.A N SER 80.A OG no hydrogen 3.120 N/A ASN 83.A ND2 PHE 75.A O no hydrogen 2.953 N/A ASN 83.A ND2 ASN 77.A O no hydrogen 2.851 N/A VAL 84.A N SER 80.A O no hydrogen 2.898 N/A ALA 85.A N GLU 81.A O no hydrogen 2.868 N/A LEU 86.A N PHE 82.A O no hydrogen 2.915 N/A LYS 87.A N ASN 83.A O no hydrogen 3.004 N/A ASN 88.A N VAL 84.A O no hydrogen 3.023 N/A ASN 88.A N ALA 85.A O no hydrogen 3.016 N/A LEU 89.A N LEU 86.A O no hydrogen 3.092 N/A LYS 90.A N LEU 48.A O no hydrogen 3.068 N/A LYS 90.A NZ ASN 88.A O no hydrogen 3.187 N/A ALA 92.A N SER 50.A O no hydrogen 2.961 N/A ASP 94.A N LYS 91.A O.A no hydrogen 2.902 N/A ASP 94.A N LYS 91.A O.B no hydrogen 2.925 N/A LEU 95.A N ALA 92.A O no hydrogen 2.999 N/A ASN 98.A N ASP 96.A OD1 no hydrogen 2.874 N/A ASP 99.A N ASP 96.A O no hydrogen 2.924 N/A TYR 100.A N PRO 97.A O no hydrogen 3.525 N/A ASP 101.A N LYS 6.A O no hydrogen 2.912 N/A ILE 102.A N LYS 6.A O no hydrogen 3.501 N/A PHE 103.A N VAL 134.A O no hydrogen 2.962 N/A PHE 104.A N LEU 8.A O no hydrogen 2.832 N/A GLY 105.A N SER 136.A O no hydrogen 2.807 N/A SER 106.A N ALA 10.A O no hydrogen 3.041 N/A SER 106.A OG ALA 10.A O no hydrogen 2.635 N/A HIS 109.A NE2 GLU 171.A OE1 no hydrogen 2.809 N/A THR 111.A N GLY 108.A O no hydrogen 3.113 N/A THR 111.A OG1 GLY 108.A O no hydrogen 2.983 N/A LEU 112.A N HIS 109.A O no hydrogen 2.994 N/A PHE 113.A N GLY 110.A O no hydrogen 2.887 N/A TYR 115.A N THR 111.A O no hydrogen 2.953 N/A TYR 115.A OH SER 106.A O no hydrogen 2.823 N/A ASN 117.A N ASP 114.A O no hydrogen 3.049 N/A ALA 118.A N TYR 115.A O no hydrogen 3.187 N/A ASP 120.A N GLU 51.A OE2 no hydrogen 2.908 N/A LEU 121.A N GLU 51.A OE1 no hydrogen 2.991 N/A GLN 122.A N ALA 118.A O no hydrogen 2.827 N/A GLN 122.A NE2 PRO 116.A O no hydrogen 3.525 N/A GLN 122.A NE2 ILE 144.A O no hydrogen 2.967 N/A GLN 122.A NE2 GLU 146.A O no hydrogen 2.977 N/A LYS 123.A N.A LYS 119.A O no hydrogen 2.868 N/A LYS 123.A N.B LYS 119.A O no hydrogen 2.874 N/A LYS 123.A N.B ASP 120.A O no hydrogen 3.135 N/A ILE 124.A N ASP 120.A O no hydrogen 3.032 N/A ALA 125.A N LEU 121.A O no hydrogen 2.944 N/A THR 126.A N GLN 122.A O no hydrogen 2.907 N/A THR 126.A OG1 GLN 122.A O no hydrogen 3.440 N/A THR 126.A OG1 LYS 123.A O.A no hydrogen 3.206 N/A THR 126.A OG1 LYS 123.A O.B no hydrogen 3.248 N/A THR 127.A N LYS 123.A O.A no hydrogen 2.945 N/A THR 127.A N LYS 123.A O.B no hydrogen 2.973 N/A THR 127.A OG1 LYS 123.A O.A no hydrogen 2.808 N/A THR 127.A OG1 LYS 123.A O.B no hydrogen 2.769 N/A VAL 128.A N ILE 124.A O no hydrogen 2.886 N/A TYR 129.A N ALA 125.A O no hydrogen 2.911 N/A ASP 130.A N THR 126.A O no hydrogen 2.862 N/A LYS 131.A N VAL 128.A O no hydrogen 3.429 N/A LYS 131.A NZ ASN 98.A O no hydrogen 2.982 N/A LYS 131.A NZ TYR 100.A O no hydrogen 2.964 N/A LYS 131.A NZ ASP 101.A OD1 no hydrogen 2.932 N/A GLY 132.A N TYR 129.A O no hydrogen 3.306 N/A GLY 133.A N VAL 128.A O no hydrogen 2.896 N/A VAL 134.A N ASP 101.A O no hydrogen 3.396 N/A VAL 135.A N.A ARG 215.A O no hydrogen 2.987 N/A VAL 135.A N.B ARG 215.A O no hydrogen 3.016 N/A SER 136.A OG PHE 103.A O no hydrogen 2.826 N/A ALA 137.A N VAL 217.A O no hydrogen 3.150 N/A VAL 138.A N GLY 105.A O no hydrogen 3.038 N/A CYS 139.A N GLY 219.A O no hydrogen 2.843 N/A CYS 139.A SG GLU 31.A OE2 no hydrogen 3.346 N/A CYS 139.A SG HIS 140.A ND1 no hydrogen 3.643 N/A HIS 140.A NE2 GLU 171.A OE2 no hydrogen 2.514 N/A GLY 141.A N VAL 138.A O no hydrogen 2.804 N/A ALA 143.A N HIS 140.A O no hydrogen 2.901 N/A ILE 144.A N GLY 141.A O no hydrogen 2.938 N/A PHE 145.A N PRO 142.A O no hydrogen 2.891 N/A GLU 146.A N ALA 143.A O no hydrogen 2.998 N/A ASN 147.A N GLU 195.A OE2 no hydrogen 2.919 N/A ASN 147.A ND2 PRO 116.A O no hydrogen 3.010 N/A LEU 148.A N PHE 145.A O no hydrogen 3.253 N/A ASP 150.A N GLU 155.A O no hydrogen 2.849 N/A LYS 152.A N ASP 150.A OD1 no hydrogen 3.085 N/A THR 153.A N ASP 150.A O no hydrogen 3.039 N/A THR 153.A OG1 ASP 150.A O no hydrogen 3.396 N/A GLY 154.A N ASP 150.A O no hydrogen 2.947 N/A GLU 155.A N THR 153.A OG1 no hydrogen 2.955 N/A LEU 157.A N LEU 148.A O no hydrogen 2.860 N/A LYS 159.A N PRO 156.A O no hydrogen 2.920 N/A GLY 160.A N GLY 196.A O no hydrogen 2.914 N/A LYS 161.A N ILE 158.A O no hydrogen 3.009 N/A LYS 162.A N ASP 213.A OD2 no hydrogen 2.866 N/A ILE 163.A N THR 198.A O no hydrogen 2.949 N/A THR 164.A N THR 218.A OG1 no hydrogen 2.860 N/A THR 164.A OG1 ILE 200.A O no hydrogen 2.662 N/A GLY 165.A N THR 164.A OG1 no hydrogen 2.802 N/A PHE 166.A N CYS 139.A O no hydrogen 2.980 N/A GLY 170.A N THR 167.A OG1 no hydrogen 2.975 N/A GLU 171.A N THR 167.A O no hydrogen 3.331 N/A GLU 171.A N ASP 168.A O no hydrogen 3.033 N/A ASP 172.A N ASP 168.A O no hydrogen 3.445 N/A ILE 173.A N ILE 169.A O no hydrogen 3.006 N/A LEU 174.A N GLY 170.A O no hydrogen 2.994 N/A GLY 175.A N ASP 172.A O no hydrogen 2.904 N/A VAL 176.A N GLU 171.A O no hydrogen 2.943 N/A THR 177.A OG1 ASP 172.A OD1 no hydrogen 2.507 N/A MET 180.A N VAL 176.A O no hydrogen 2.933 N/A LYS 181.A N.A THR 177.A O no hydrogen 3.015 N/A LYS 181.A N.B THR 177.A O no hydrogen 2.986 N/A LYS 182.A N ASP 178.A O no hydrogen 3.000 N/A GLY 183.A N ILE 179.A O no hydrogen 3.108 N/A ASN 184.A N LYS 181.A O.B no hydrogen 2.965 N/A LEU 185.A N MET 180.A O no hydrogen 2.841 N/A THR 187.A N GLN 190.A OE1 no hydrogen 2.955 N/A THR 187.A OG1 ASP 168.A OD1 no hydrogen 3.022 N/A THR 187.A OG1 GLN 190.A OE1 no hydrogen 3.419 N/A LYS 189.A NZ.B ASP 168.A OD2 no hydrogen 3.070 N/A LYS 189.A NZ.B GLU 201.A OE1.A no hydrogen 3.547 N/A LYS 189.A NZ.B GLU 201.A OE2.B no hydrogen 3.280 N/A GLN 190.A N THR 187.A OG1 no hydrogen 3.198 N/A VAL 191.A N THR 187.A O no hydrogen 2.826 N/A ALA 192.A N ILE 188.A O no hydrogen 2.888 N/A GLU 193.A N LYS 189.A O.A no hydrogen 2.913 N/A GLU 193.A N LYS 189.A O.B no hydrogen 3.035 N/A LYS 194.A N GLN 190.A O no hydrogen 2.854 N/A LYS 194.A NZ GLU 146.A OE2 no hydrogen 3.213 N/A LYS 194.A NZ ASN 147.A OD1 no hydrogen 2.977 N/A GLU 195.A N VAL 191.A O no hydrogen 3.030 N/A GLY 196.A N GLU 193.A O no hydrogen 3.454 N/A ALA 197.A N ALA 192.A O no hydrogen 2.849 N/A THR 198.A N LYS 161.A O no hydrogen 2.820 N/A TYR 199.A OH GLY 165.A O no hydrogen 2.736 N/A ILE 200.A N ILE 163.A O no hydrogen 2.757 N/A GLY 204.A N ASP 207.A OD2 no hydrogen 2.962 N/A ASP 207.A N GLY 204.A O no hydrogen 3.285 N/A PHE 209.A N SER 224.A OG no hydrogen 2.955 N/A THR 210.A OG1 ASP 231.A OD2 no hydrogen 2.514 N/A VAL 211.A N THR 218.A O no hydrogen 2.845 N/A ASP 213.A N ILE 216.A O no hydrogen 2.805 N/A ARG 215.A NH1 TYR 129.A O no hydrogen 2.953 N/A ARG 215.A NH1 GLY 133.A O no hydrogen 2.919 N/A ILE 216.A N ASP 213.A O no hydrogen 2.995 N/A VAL 217.A N VAL 135.A O.A no hydrogen 3.144 N/A VAL 217.A N VAL 135.A O.B no hydrogen 3.077 N/A THR 218.A N VAL 211.A O no hydrogen 2.932 N/A THR 218.A OG1 THR 164.A O no hydrogen 3.479 N/A GLY 219.A N ALA 137.A O no hydrogen 3.073 N/A VAL 220.A N PHE 209.A O no hydrogen 3.253 N/A ASN 221.A ND2 PRO 205.A O no hydrogen 2.898 N/A ASN 221.A ND2 ASP 207.A O no hydrogen 2.859 N/A GLN 223.A N GLN 223.A OE1 no hydrogen 2.721 N/A SER 224.A N ASN 221.A O no hydrogen 2.921 N/A SER 224.A OG PHE 209.A O no hydrogen 3.286 N/A SER 224.A OG ASN 221.A OD1 no hydrogen 2.599 N/A ALA 225.A N PRO 222.A O no hydrogen 3.265 N/A LYS 227.A NZ THR 210.A OG1 no hydrogen 3.112 N/A LYS 227.A NZ ASP 231.A OD2 no hydrogen 2.880 N/A THR 228.A N SER 224.A O no hydrogen 2.860 N/A THR 228.A OG1 SER 224.A O no hydrogen 2.751 N/A ALA 229.A N ALA 225.A O no hydrogen 3.115 N/A GLU 230.A N VAL 226.A O no hydrogen 2.895 N/A ASP 231.A N LYS 227.A O no hydrogen 2.774 N/A VAL 232.A N THR 228.A O no hydrogen 2.834 N/A ILE 233.A N ALA 229.A O no hydrogen 3.096 N/A ALA 234.A N GLU 230.A O no hydrogen 3.034 N/A ALA 235.A N ASP 231.A O no hydrogen 3.012 N/A PHE 236.A N VAL 232.A O no hydrogen 2.928 N/A PHE 236.A N ILE 233.A O no hydrogen 3.182 N/A GLU 237.A N ILE 233.A O no hydrogen 2.940 N/A