Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kqb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASP 1.A OD2 no hydrogen 2.804 N/A SER 4.A OG ASP 1.A OD2 no hydrogen 2.698 N/A VAL 5.A N ASP 1.A O no hydrogen 3.127 N/A ALA 6.A N ILE 2.A O no hydrogen 3.022 N/A LEU 7.A N ILE 3.A O no hydrogen 3.079 N/A LYS 8.A N VAL 5.A O no hydrogen 2.937 N/A ARG 9.A N VAL 5.A O no hydrogen 2.666 N/A HIS 10.A NE2 ASP 197.A OD2 no hydrogen 2.591 N/A THR 12.A N ALA 160.A O no hydrogen 3.069 N/A THR 12.A OG1 ALA 160.A O no hydrogen 3.180 N/A LYS 13.A N ASP 197.A OD1 no hydrogen 2.885 N/A ASP 16.A N HIS 192.A O no hydrogen 2.814 N/A SER 18.A N ASP 16.A OD1 no hydrogen 2.867 N/A SER 18.A OG ASP 16.A OD1 no hydrogen 2.506 N/A LYS 19.A N ASP 16.A O no hydrogen 3.190 N/A LYS 20.A NZ ALA 17.A O no hydrogen 3.270 N/A LEU 21.A N SER 78.A OG no hydrogen 2.917 N/A THR 22.A N GLU 25.A OE1 no hydrogen 2.824 N/A GLU 25.A N THR 22.A OG1 no hydrogen 3.003 N/A ALA 26.A N THR 22.A O no hydrogen 2.967 N/A GLU 27.A N ALA 23.A O no hydrogen 3.151 N/A LYS 28.A N GLU 24.A O no hydrogen 2.891 N/A ILE 29.A N GLU 25.A O no hydrogen 2.902 N/A LYS 30.A N ALA 26.A O no hydrogen 3.428 N/A LYS 30.A NZ GLU 27.A OE2 no hydrogen 3.245 N/A THR 31.A N GLU 27.A O no hydrogen 3.088 N/A THR 31.A OG1 GLU 27.A O no hydrogen 3.084 N/A LEU 32.A N LYS 28.A O no hydrogen 3.001 N/A LEU 33.A N ILE 29.A O no hydrogen 3.172 N/A GLN 34.A N LYS 30.A O no hydrogen 2.997 N/A TYR 35.A N THR 31.A O no hydrogen 2.900 N/A SER 36.A OG PRO 37.A O no hydrogen 3.071 N/A SER 39.A N GLN 141.A OE1 no hydrogen 2.832 N/A THR 40.A OG1 SER 39.A O no hydrogen 2.451 N/A ASN 41.A N SER 38.A O no hydrogen 2.811 N/A ASN 41.A ND2 GLU 101.A OE2 no hydrogen 2.953 N/A SER 42.A N SER 39.A O no hydrogen 2.969 N/A SER 42.A OG SER 39.A O no hydrogen 2.809 N/A GLN 43.A N SER 38.A OG no hydrogen 2.989 N/A GLN 43.A NE2 ASN 41.A O no hydrogen 3.029 N/A TRP 45.A N GLN 43.A O no hydrogen 2.800 N/A HIS 46.A N CYS 84.A O no hydrogen 3.098 N/A ILE 48.A N VAL 82.A O no hydrogen 3.097 N/A ALA 50.A N VAL 80.A O no hydrogen 2.956 N/A THR 52.A OG1 GLU 54.A OE2 no hydrogen 3.417 N/A GLU 54.A N GLU 54.A OE2 no hydrogen 2.597 N/A GLY 55.A N THR 52.A OG1 no hydrogen 2.892 N/A LYS 56.A N THR 52.A O no hydrogen 2.971 N/A LYS 56.A NZ GLU 53.A OE2 no hydrogen 3.460 N/A LYS 56.A NZ LEU 75.A O no hydrogen 2.832 N/A LYS 56.A NZ ALA 77.A O no hydrogen 2.866 N/A ALA 57.A N GLU 53.A O no hydrogen 2.994 N/A ARG 58.A N GLU 54.A O no hydrogen 3.092 N/A ARG 58.A NE GLU 174.A OE2 no hydrogen 2.669 N/A ARG 58.A NH2 GLU 174.A O no hydrogen 2.703 N/A VAL 59.A N GLY 55.A O no hydrogen 3.183 N/A ALA 60.A N LYS 56.A O no hydrogen 2.826 N/A LYS 61.A N ARG 58.A O no hydrogen 3.276 N/A LYS 61.A NZ GLU 174.A OE1 no hydrogen 2.537 N/A SER 62.A N VAL 59.A O no hydrogen 2.989 N/A SER 62.A OG VAL 59.A O no hydrogen 2.796 N/A ALA 63.A N ALA 60.A O no hydrogen 2.992 N/A TYR 67.A N ALA 64.A O no hydrogen 2.919 N/A VAL 68.A N GLY 65.A O no hydrogen 3.058 N/A ASN 70.A N TYR 67.A O no hydrogen 2.946 N/A ASN 70.A ND2 GLY 165.A O no hydrogen 2.852 N/A GLU 71.A N VAL 68.A O no hydrogen 3.138 N/A ARG 72.A NE ASP 76.A OD2 no hydrogen 3.262 N/A ARG 72.A NH2 ASP 76.A OD2 no hydrogen 3.337 N/A LYS 73.A NZ ASN 70.A OD1 no hydrogen 3.042 N/A MET 74.A N ASN 70.A O no hydrogen 3.469 N/A LEU 75.A N GLU 71.A O no hydrogen 3.056 N/A LEU 75.A N ARG 72.A O no hydrogen 3.190 N/A ASP 76.A N ARG 72.A O no hydrogen 2.783 N/A ALA 77.A N LYS 73.A O no hydrogen 3.325 N/A SER 78.A N VAL 190.A O no hydrogen 2.919 N/A SER 78.A OG HIS 79.A ND1 no hydrogen 2.765 N/A HIS 79.A N VAL 190.A O no hydrogen 3.044 N/A HIS 79.A ND1 SER 78.A OG no hydrogen 2.765 N/A VAL 80.A N ALA 50.A O no hydrogen 2.825 N/A VAL 81.A N VAL 188.A O no hydrogen 2.940 N/A VAL 82.A N ILE 48.A O no hydrogen 2.787 N/A PHE 83.A N VAL 186.A O no hydrogen 2.742 N/A CYS 84.A N HIS 46.A O no hydrogen 2.935 N/A CYS 84.A SG VAL 82.A O no hydrogen 3.744 N/A ALA 85.A N THR 183.A O no hydrogen 2.972 N/A LYS 86.A N PRO 44.A O no hydrogen 3.005 N/A LYS 86.A NZ ASP 90.A OD1 no hydrogen 2.675 N/A THR 87.A N GLY 181.A O no hydrogen 2.915 N/A MET 89.A N ASP 134.A OD2 no hydrogen 3.042 N/A TRP 93.A N ASP 90.A O no hydrogen 3.190 N/A TRP 93.A N ASP 90.A OD2 no hydrogen 3.115 N/A TRP 93.A NE1 SER 42.A O no hydrogen 2.808 N/A LEU 94.A N ASP 90.A O no hydrogen 3.383 N/A GLU 95.A N ASP 91.A O no hydrogen 2.875 N/A ARG 96.A N ALA 92.A O no hydrogen 3.071 N/A VAL 97.A N TRP 93.A O no hydrogen 3.008 N/A VAL 98.A N LEU 94.A O no hydrogen 3.188 N/A ASP 99.A N GLU 95.A O no hydrogen 2.941 N/A GLN 100.A N ARG 96.A O no hydrogen 2.950 N/A GLN 100.A NE2 ASP 104.A OD1 no hydrogen 3.344 N/A GLN 100.A NE2 ASP 104.A OD2 no hydrogen 2.997 N/A GLU 101.A N VAL 97.A O no hydrogen 3.033 N/A GLU 102.A N VAL 98.A O no hydrogen 3.043 N/A ALA 103.A N ASP 99.A O no hydrogen 2.987 N/A ASP 104.A N GLN 100.A O no hydrogen 2.946 N/A GLY 105.A N GLU 102.A O no hydrogen 3.030 N/A ARG 106.A N GLU 101.A O no hydrogen 3.101 N/A ARG 106.A NE GLU 101.A OE1 no hydrogen 2.919 N/A THR 109.A OG1 GLU 111.A OE1 no hydrogen 3.550 N/A ALA 112.A N THR 109.A OG1 no hydrogen 3.048 N/A LYS 113.A N THR 109.A O no hydrogen 3.311 N/A LYS 113.A NZ ASP 99.A OD1 no hydrogen 2.661 N/A LYS 113.A NZ GLU 102.A OE1 no hydrogen 2.736 N/A ALA 114.A N PRO 110.A O no hydrogen 2.930 N/A ALA 115.A N GLU 111.A O no hydrogen 2.877 N/A ASN 116.A N ALA 112.A O no hydrogen 3.044 N/A HIS 117.A N LYS 113.A O no hydrogen 2.866 N/A LYS 118.A N ALA 114.A O no hydrogen 2.825 N/A GLY 119.A N ALA 115.A O no hydrogen 2.942 N/A ARG 120.A N ASN 116.A O no hydrogen 2.966 N/A ARG 120.A NE THR 40.A O no hydrogen 2.708 N/A ARG 120.A NH1 ASN 116.A OD1 no hydrogen 2.661 N/A ARG 120.A NH2 THR 40.A O no hydrogen 2.968 N/A ARG 120.A NH2 ASN 116.A OD1 no hydrogen 2.967 N/A THR 121.A N HIS 117.A O no hydrogen 2.912 N/A THR 121.A OG1 HIS 117.A O no hydrogen 2.976 N/A TYR 122.A N LYS 118.A O no hydrogen 2.817 N/A PHE 123.A N GLY 119.A O no hydrogen 3.112 N/A ALA 124.A N ARG 120.A O no hydrogen 2.862 N/A ASP 125.A N THR 121.A O no hydrogen 2.780 N/A MET 126.A N TYR 122.A O no hydrogen 3.138 N/A HIS 127.A N PHE 123.A O no hydrogen 3.427 N/A HIS 127.A N ALA 124.A O no hydrogen 3.131 N/A HIS 127.A ND1 ASP 133.A OD1 no hydrogen 2.691 N/A ARG 128.A N ALA 124.A O no hydrogen 2.783 N/A ARG 128.A NE ASP 125.A OD1 no hydrogen 3.249 N/A ARG 128.A NH1 MET 89.A O no hydrogen 2.915 N/A ARG 128.A NH1 ASP 91.A OD1 no hydrogen 2.980 N/A ARG 128.A NH2 ASP 91.A OD1 no hydrogen 3.088 N/A ARG 128.A NH2 ASP 125.A OD1 no hydrogen 2.712 N/A VAL 129.A N ASP 125.A O no hydrogen 2.662 N/A ASP 130.A N ASP 125.A O no hydrogen 3.275 N/A LEU 131.A N MET 126.A O no hydrogen 2.877 N/A ASP 133.A N HIS 127.A O no hydrogen 2.888 N/A GLN 136.A N ASP 135.A OD2 no hydrogen 2.717 N/A TRP 137.A N ASP 133.A O no hydrogen 2.867 N/A MET 138.A N ASP 134.A O no hydrogen 2.978 N/A ALA 139.A N ASP 135.A O no hydrogen 3.066 N/A LYS 140.A N GLN 136.A O no hydrogen 3.007 N/A GLN 141.A N TRP 137.A O no hydrogen 3.366 N/A GLN 141.A NE2 TRP 137.A O no hydrogen 3.113 N/A VAL 142.A N MET 138.A O no hydrogen 3.140 N/A TYR 143.A N ALA 139.A O no hydrogen 3.088 N/A TYR 143.A OH GLU 164.A OE2 no hydrogen 2.679 N/A LEU 144.A N LYS 140.A O no hydrogen 3.095 N/A ASN 145.A N GLN 141.A O no hydrogen 3.068 N/A ASN 145.A ND2 LEU 33.A O no hydrogen 2.910 N/A VAL 146.A N VAL 142.A O no hydrogen 2.891 N/A GLY 147.A N TYR 143.A O no hydrogen 2.877 N/A ASN 148.A N LEU 144.A O no hydrogen 2.967 N/A PHE 149.A N ASN 145.A O no hydrogen 2.776 N/A LEU 150.A N VAL 146.A O no hydrogen 2.868 N/A LEU 151.A N GLY 147.A O no hydrogen 3.429 N/A GLY 152.A N ASN 148.A O no hydrogen 2.984 N/A VAL 153.A N PHE 149.A O no hydrogen 2.816 N/A GLY 154.A N LEU 150.A O no hydrogen 3.138 N/A ALA 155.A N LEU 151.A O no hydrogen 2.885 N/A MET 156.A N VAL 153.A O no hydrogen 3.026 N/A GLY 157.A N GLY 154.A O no hydrogen 3.032 N/A LEU 158.A N VAL 153.A O no hydrogen 3.029 N/A ASP 159.A N GLY 191.A O no hydrogen 2.801 N/A VAL 161.A N PRO 189.A O no hydrogen 3.275 N/A ILE 163.A N VAL 187.A O no hydrogen 2.721 N/A PHE 166.A N GLU 164.A O no hydrogen 2.826 N/A ASP 167.A N SER 62.A O no hydrogen 2.749 N/A ILE 170.A N ASP 167.A OD1 no hydrogen 2.954 N/A LEU 171.A N ASP 167.A O no hydrogen 3.037 N/A ASP 172.A N ALA 168.A O no hydrogen 2.697 N/A GLU 173.A N ALA 169.A O no hydrogen 3.081 N/A GLU 174.A N ILE 170.A O no hydrogen 2.937 N/A PHE 175.A N LEU 171.A O no hydrogen 3.190 N/A PHE 175.A N ASP 172.A O no hydrogen 3.263 N/A GLY 176.A N GLU 173.A O no hydrogen 3.214 N/A LEU 177.A N ASP 172.A O no hydrogen 3.023 N/A GLU 179.A N GLU 179.A OE2 no hydrogen 2.481 N/A LYS 180.A N LEU 177.A O no hydrogen 2.844 N/A GLY 181.A N LYS 178.A O no hydrogen 3.137 N/A PHE 182.A N LEU 177.A O no hydrogen 2.888 N/A THR 183.A N ALA 85.A O no hydrogen 2.939 N/A THR 183.A OG1 ASP 172.A OD2 no hydrogen 2.745 N/A SER 184.A N ASP 172.A OD1 no hydrogen 2.855 N/A SER 184.A OG ASP 172.A OD1 no hydrogen 2.809 N/A LEU 185.A N PHE 83.A O no hydrogen 2.870 N/A VAL 186.A N PHE 83.A O no hydrogen 3.498 N/A VAL 187.A N ILE 163.A O no hydrogen 2.997 N/A VAL 188.A N VAL 81.A O no hydrogen 2.671 N/A VAL 190.A N HIS 79.A O no hydrogen 2.611 N/A GLY 191.A N ASP 159.A O no hydrogen 2.811 N/A HIS 193.A N ASP 159.A OD2 no hydrogen 2.860 N/A HIS 193.A ND1 ASP 159.A OD2 no hydrogen 2.709 N/A SER 194.A N ALA 14.A O no hydrogen 3.010 N/A ASP 197.A N SER 194.A O no hydrogen 3.088 N/A ASN 199.A ND2 SER 11.A O no hydrogen 2.791 N/A ALA 200.A N ASP 197.A O no hydrogen 3.029 N/A THR 201.A N PHE 198.A O no hydrogen 3.319 N/A THR 201.A OG1 PHE 198.A O no hydrogen 3.203 N/A LYS 204.A NZ ARG 9.A O no hydrogen 2.684 N/A ARG 206.A NH1 SER 205.A O no hydrogen 2.930 N/A THR 211.A N PRO 208.A O no hydrogen 2.966 N/A ILE 212.A N PRO 208.A O no hydrogen 3.233 N/A VAL 213.A N LEU 209.A O no hydrogen 2.898 N/A