Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kdr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 GLU 104.A OE2 no hydrogen 2.825 N/A ASN 2.A ND2 ASP 128.A O no hydrogen 2.917 N/A GLU 7.A N ASP 4.A OD1 no hydrogen 3.198 N/A ILE 8.A N ASP 4.A O no hydrogen 3.070 N/A ALA 9.A N HIS 5.A O no hydrogen 2.828 N/A LYS 10.A N GLU 6.A O no hydrogen 3.114 N/A LYS 10.A NZ GLU 7.A OE2 no hydrogen 3.013 N/A PHE 11.A N GLU 7.A O no hydrogen 3.331 N/A GLU 12.A N ILE 8.A O no hydrogen 2.911 N/A ALA 13.A N ALA 9.A O no hydrogen 3.026 N/A VAL 14.A N PHE 11.A O no hydrogen 3.298 N/A ALA 15.A N GLU 12.A O no hydrogen 3.288 N/A ARG 17.A N VAL 14.A O no hydrogen 3.042 N/A TRP 18.A N ALA 15.A O no hydrogen 3.010 N/A TRP 19.A NE1 GLY 58.A O no hydrogen 2.948 N/A ASP 20.A N ARG 17.A O no hydrogen 3.092 N/A GLU 22.A N ASP 20.A OD1 no hydrogen 2.743 N/A GLY 23.A N ASP 20.A O no hydrogen 3.186 N/A LYS 26.A N GLY 23.A O no hydrogen 3.020 N/A LYS 26.A NZ GLU 22.A OE1 no hydrogen 2.928 N/A HIS 29.A N PHE 25.A O no hydrogen 3.152 N/A HIS 29.A NE2 TRP 18.A O no hydrogen 2.824 N/A ARG 30.A N LYS 26.A O no hydrogen 2.885 N/A ILE 31.A N PRO 27.A O no hydrogen 2.887 N/A ASN 32.A N LEU 28.A O no hydrogen 2.980 N/A ASN 32.A ND2 SER 64.A OG no hydrogen 3.172 N/A LEU 34.A N ILE 31.A O no hydrogen 3.020 N/A ARG 35.A N ILE 31.A O no hydrogen 3.158 N/A ARG 35.A NE ASN 32.A OD1 no hydrogen 2.834 N/A ARG 35.A NH1 ASN 32.A OD1 no hydrogen 3.187 N/A LEU 36.A N ASN 32.A O no hydrogen 2.860 N/A GLY 37.A N PRO 33.A O no hydrogen 2.908 N/A TYR 38.A N LEU 34.A O no hydrogen 3.132 N/A TYR 38.A OH HIS 178.A ND1 no hydrogen 2.787 N/A ILE 39.A N ARG 35.A O no hydrogen 2.886 N/A ALA 40.A N LEU 36.A O no hydrogen 2.927 N/A GLU 41.A N GLY 37.A O no hydrogen 3.003 N/A ARG 42.A N TYR 38.A O no hydrogen 2.836 N/A ALA 43.A N ILE 39.A O no hydrogen 2.895 N/A GLY 44.A N GLU 41.A O no hydrogen 3.400 N/A GLY 45.A N ALA 40.A O no hydrogen 2.756 N/A GLY 48.A N GLY 69.A O no hydrogen 2.923 N/A LYS 49.A N LEU 46.A O no hydrogen 3.073 N/A LYS 49.A NZ GLY 45.A O no hydrogen 2.939 N/A LYS 50.A N ASP 115.A OD2 no hydrogen 2.830 N/A VAL 51.A N THR 71.A O no hydrogen 2.836 N/A LEU 52.A N VAL 116.A O no hydrogen 2.890 N/A ASP 53.A N THR 73.A O no hydrogen 2.879 N/A VAL 54.A N THR 118.A O no hydrogen 2.861 N/A GLY 55.A N LEU 75.A O no hydrogen 2.722 N/A CYS 56.A N LEU 75.A O no hydrogen 2.908 N/A CYS 56.A SG GLY 57.A O no hydrogen 3.661 N/A GLY 57.A N ASP 76.A OD2 no hydrogen 2.720 N/A GLY 59.A N CYS 56.A O no hydrogen 3.106 N/A GLU 63.A N GLY 59.A O no hydrogen 2.906 N/A SER 64.A OG ILE 60.A O no hydrogen 3.534 N/A SER 64.A OG LEU 61.A O no hydrogen 2.546 N/A MET 65.A N LEU 61.A O no hydrogen 2.857 N/A ALA 66.A N ALA 62.A O no hydrogen 2.971 N/A ARG 67.A N GLU 63.A O no hydrogen 2.917 N/A GLU 68.A N MET 65.A O no hydrogen 3.057 N/A GLY 69.A N ALA 66.A O no hydrogen 2.902 N/A ALA 70.A N MET 65.A O no hydrogen 3.411 N/A THR 71.A N LYS 49.A O no hydrogen 2.875 N/A THR 73.A N VAL 51.A O no hydrogen 2.840 N/A GLY 74.A N ASP 97.A O no hydrogen 2.716 N/A LEU 75.A N ASP 53.A O no hydrogen 2.800 N/A ASP 76.A N VAL 99.A O no hydrogen 3.185 N/A GLY 78.A N ASP 76.A OD1 no hydrogen 2.864 N/A PHE 79.A N GLU 12.A OE2 no hydrogen 2.948 N/A GLN 83.A N PHE 79.A O no hydrogen 3.084 N/A VAL 84.A N GLU 80.A O no hydrogen 2.969 N/A ALA 85.A N PRO 81.A O no hydrogen 2.841 N/A LYS 86.A N LEU 82.A O no hydrogen 2.971 N/A LEU 87.A N GLN 83.A O no hydrogen 3.198 N/A HIS 88.A N VAL 84.A O no hydrogen 2.882 N/A HIS 88.A ND1 GLU 63.A OE2 no hydrogen 2.488 N/A ALA 89.A N ALA 85.A O no hydrogen 3.004 N/A LEU 90.A N LYS 86.A O no hydrogen 3.106 N/A GLU 91.A N LEU 87.A O no hydrogen 2.894 N/A SER 92.A N HIS 88.A O no hydrogen 2.974 N/A SER 92.A OG GLU 63.A OE1 no hydrogen 2.676 N/A SER 92.A OG HIS 88.A O no hydrogen 3.038 N/A GLY 93.A N LEU 90.A O no hydrogen 2.974 N/A ILE 94.A N ALA 89.A O no hydrogen 2.947 N/A ASP 97.A N VAL 72.A O no hydrogen 3.004 N/A VAL 99.A N GLY 74.A O no hydrogen 2.863 N/A GLN 100.A NE2 MET 77.A O no hydrogen 2.967 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 2.913 N/A GLU 105.A N THR 102.A OG1 no hydrogen 3.239 N/A HIS 106.A N THR 102.A O no hydrogen 3.077 N/A HIS 106.A ND1 GLU 101.A OE2 no hydrogen 2.594 N/A HIS 106.A NE2 TYR 114.A OH no hydrogen 2.706 N/A ALA 107.A N VAL 103.A O no hydrogen 2.869 N/A ALA 108.A N GLU 104.A O no hydrogen 3.272 N/A LYS 109.A N HIS 106.A O no hydrogen 3.236 N/A HIS 110.A ND1 GLN 113.A OE1 no hydrogen 2.996 N/A GLY 112.A N GLN 138.A O no hydrogen 2.806 N/A GLN 113.A N HIS 110.A O no hydrogen 3.383 N/A TYR 114.A N LEU 139.A O no hydrogen 2.992 N/A TYR 114.A OH HIS 106.A NE2 no hydrogen 2.706 N/A ASP 115.A N LYS 50.A O no hydrogen 2.878 N/A VAL 116.A N LYS 50.A O no hydrogen 3.284 N/A VAL 117.A N ASP 145.A O no hydrogen 2.935 N/A THR 118.A N LEU 52.A O no hydrogen 2.831 N/A THR 118.A OG1 ASP 53.A OD1 no hydrogen 2.828 N/A CYS 119.A N PHE 147.A O no hydrogen 2.800 N/A GLU 121.A N SER 149.A O no hydrogen 2.844 N/A GLU 124.A N GLU 124.A OE2 no hydrogen 2.643 N/A HIS 125.A N MET 122.A O no hydrogen 2.932 N/A HIS 125.A ND1 GLU 7.A OE1 no hydrogen 2.813 N/A VAL 126.A N LEU 123.A O no hydrogen 3.235 N/A ASP 128.A N ASN 2.A OD1 no hydrogen 2.973 N/A GLN 130.A NE2 TRP 168.A O no hydrogen 3.441 N/A SER 131.A N ASP 128.A O no hydrogen 3.183 N/A SER 131.A N ASP 128.A OD1 no hydrogen 3.350 N/A SER 131.A OG GLU 104.A OE2 no hydrogen 2.706 N/A VAL 132.A N PRO 129.A O no hydrogen 3.051 N/A VAL 133.A N PRO 129.A O no hydrogen 3.059 N/A ARG 134.A N GLN 130.A O no hydrogen 2.923 N/A ARG 134.A NE GLN 130.A OE1 no hydrogen 2.962 N/A ALA 135.A N SER 131.A O no hydrogen 2.983 N/A CYS 136.A N VAL 132.A O no hydrogen 2.916 N/A CYS 136.A SG VAL 132.A O no hydrogen 3.393 N/A ALA 137.A N VAL 133.A O no hydrogen 3.091 N/A GLN 138.A N ARG 134.A O no hydrogen 3.045 N/A LEU 139.A N ALA 135.A O no hydrogen 2.902 N/A LYS 141.A N TYR 114.A O no hydrogen 2.703 N/A LYS 141.A NZ ASP 115.A OD1 no hydrogen 3.052 N/A GLY 143.A N ASN 207.A O no hydrogen 3.092 N/A GLY 144.A N LYS 141.A O no hydrogen 2.880 N/A ASP 145.A N ASP 115.A O no hydrogen 2.914 N/A VAL 146.A N THR 205.A O no hydrogen 2.800 N/A PHE 147.A N VAL 117.A O no hydrogen 2.883 N/A PHE 148.A N LEU 203.A O no hydrogen 3.101 N/A SER 149.A N CYS 119.A O no hydrogen 3.276 N/A SER 149.A OG.A TYR 201.A O no hydrogen 2.823 N/A THR 150.A N TYR 201.A O no hydrogen 2.961 N/A THR 150.A OG1 GLU 124.A OE1 no hydrogen 3.549 N/A THR 150.A OG1 GLU 124.A OE2 no hydrogen 3.482 N/A LEU 151.A N GLU 121.A OE2 no hydrogen 2.616 N/A ASN 152.A N GLU 121.A OE1 no hydrogen 3.254 N/A ARG 153.A NH1 VAL 199.A O no hydrogen 2.603 N/A LEU 165.A N LYS 161.A O no hydrogen 3.167 N/A LEU 166.A N PRO 162.A O no hydrogen 2.948 N/A GLY 167.A N ALA 163.A O no hydrogen 3.408 N/A TRP 168.A N GLU 164.A O no hydrogen 3.384 N/A VAL 169.A N LEU 165.A O no hydrogen 2.952 N/A ASP 170.A N LEU 166.A O no hydrogen 2.993 N/A GLN 171.A N TRP 168.A O no hydrogen 3.093 N/A THR 172.A N VAL 169.A O no hydrogen 3.047 N/A THR 172.A OG1 VAL 169.A O no hydrogen 2.783 N/A SER 173.A OG ASN 207.A OD1 no hydrogen 2.532 N/A LEU 174.A N THR 172.A OG1 no hydrogen 3.008 N/A LYS 175.A N GLN 206.A O no hydrogen 2.846 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.811 N/A ARG 177.A N HIS 204.A O no hydrogen 2.785 N/A ARG 177.A NE GLN 206.A OE1 no hydrogen 2.871 N/A ARG 177.A NH2 GLN 206.A OE1 no hydrogen 3.080 N/A HIS 178.A N HIS 204.A O no hydrogen 3.230 N/A HIS 178.A ND1 TYR 38.A OH no hydrogen 2.787 N/A THR 180.A N MET 202.A O no hydrogen 2.994 N/A THR 180.A OG1 GLY 181.A O no hydrogen 3.369 N/A THR 180.A OG1 GLY 194.A O no hydrogen 3.106 N/A GLY 181.A N GLY 194.A O no hydrogen 2.613 N/A LEU 182.A N ASN 200.A OD1 no hydrogen 2.693 N/A HIS 183.A N LYS 192.A O no hydrogen 2.937 N/A HIS 183.A NE2 GLY 196.A O no hydrogen 2.678 N/A TYR 184.A OH ASN 189.A OD1 no hydrogen 2.443 N/A ASN 185.A N THR 190.A O no hydrogen 2.860 N/A THR 188.A N ASN 185.A OD1 no hydrogen 3.261 N/A THR 188.A OG1 THR 190.A OG1 no hydrogen 2.495 N/A THR 190.A N ASN 185.A O no hydrogen 3.325 N/A THR 190.A OG1 THR 188.A OG1 no hydrogen 2.495 N/A LYS 192.A N HIS 183.A O no hydrogen 2.927 N/A GLY 194.A N GLY 181.A O no hydrogen 2.749 N/A ASN 200.A ND2 LEU 182.A O no hydrogen 3.084 N/A TYR 201.A N THR 150.A O no hydrogen 3.018 N/A TYR 201.A OH ILE 160.A O no hydrogen 3.268 N/A MET 202.A N THR 180.A O no hydrogen 2.853 N/A LEU 203.A N PHE 148.A O no hydrogen 2.759 N/A HIS 204.A N HIS 178.A O no hydrogen 2.774 N/A HIS 204.A NE2 ASP 145.A OD1 no hydrogen 2.867 N/A THR 205.A N VAL 146.A O no hydrogen 2.893 N/A THR 205.A OG1 VAL 146.A O no hydrogen 2.775 N/A GLN 206.A N LYS 175.A O no hydrogen 2.857 N/A GLN 206.A NE2 GLY 143.A O no hydrogen 3.141 N/A ASN 207.A N GLY 144.A O no hydrogen 2.748 N/A ASN 207.A ND2 VAL 140.A O no hydrogen 3.603 N/A ASN 207.A ND2 LYS 141.A O no hydrogen 3.183 N/A LYS 208.A N SER 173.A O no hydrogen 2.976 N/A