Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3khc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A N ARG 14.A O no hydrogen 3.141 N/A GLN 3.A NE2 ALA 97.A O no hydrogen 3.540 N/A GLU 4.A N ILE 12.A O no hydrogen 2.888 N/A LEU 6.A N ALA 10.A O no hydrogen 3.046 N/A ALA 7.A N ALA 10.A O no hydrogen 3.291 N/A ALA 10.A N ALA 7.A O no hydrogen 2.828 N/A VAL 11.A N VAL 168.A O no hydrogen 2.900 N/A ILE 12.A N GLU 4.A O no hydrogen 2.923 N/A LEU 13.A N VAL 166.A O no hydrogen 2.730 N/A ARG 14.A NE ASP 165.A OD1 no hydrogen 3.324 N/A ARG 14.A NH1 GLU 4.A OE1 no hydrogen 2.568 N/A ARG 14.A NH2 ASP 165.A OD1 no hydrogen 3.207 N/A ARG 15.A N ASP 165.A OD2 no hydrogen 2.837 N/A ARG 15.A NH1 ASP 165.A OD2 no hydrogen 2.918 N/A PHE 16.A N LEU 13.A O no hydrogen 3.164 N/A ALA 17.A N GLY 164.A O no hydrogen 2.745 N/A PHE 18.A N ARG 15.A O no hydrogen 3.200 N/A ALA 21.A N PHE 18.A O no hydrogen 3.492 N/A GLN 23.A NE2 ASP 27.A OD2 no hydrogen 2.725 N/A LEU 24.A N ALA 20.A O no hydrogen 3.001 N/A ILE 25.A N ALA 21.A O no hydrogen 3.008 N/A ARG 26.A N GLU 22.A O no hydrogen 3.262 N/A ARG 26.A NH1 GLN 23.A OE1 no hydrogen 2.591 N/A ARG 26.A NH2 GLN 23.A OE1 no hydrogen 3.454 N/A ASP 27.A N GLN 23.A O no hydrogen 2.914 N/A ILE 28.A N LEU 24.A O no hydrogen 2.705 N/A ASN 29.A N ILE 25.A O no hydrogen 2.927 N/A ASP 30.A N ARG 26.A O no hydrogen 3.110 N/A VAL 31.A N ASP 27.A O no hydrogen 2.944 N/A ALA 32.A N ILE 28.A O no hydrogen 2.809 N/A SER 33.A N ASN 29.A O no hydrogen 2.978 N/A SER 33.A N ASP 30.A O no hydrogen 3.102 N/A SER 33.A OG ASP 30.A O no hydrogen 2.706 N/A SER 33.A OG ASP 30.A OD2 no hydrogen 3.544 N/A GLN 34.A N VAL 31.A O no hydrogen 3.255 N/A GLN 34.A NE2 ASP 30.A O no hydrogen 2.913 N/A SER 35.A N VAL 31.A O no hydrogen 3.047 N/A SER 35.A OG ASP 73.A OD2 no hydrogen 2.668 N/A ARG 38.A N MET 52.A O no hydrogen 2.933 N/A ARG 38.A NE PRO 36.A O no hydrogen 2.929 N/A ARG 38.A NH1 ASP 73.A OD1 no hydrogen 2.845 N/A ARG 38.A NH2 PRO 36.A O no hydrogen 2.891 N/A ARG 38.A NH2 ASP 73.A OD1 no hydrogen 3.194 N/A ARG 38.A NH2 ASP 73.A OD2 no hydrogen 2.802 N/A THR 42.A N TYR 46.A O no hydrogen 3.066 N/A THR 42.A OG1 TYR 46.A O no hydrogen 3.469 N/A GLY 44.A N THR 42.A OG1 no hydrogen 3.206 N/A GLY 45.A N THR 42.A O no hydrogen 3.136 N/A MET 48.A N MET 40.A O no hydrogen 2.763 N/A SER 49.A OG LYS 118.A O no hydrogen 3.440 N/A ALA 51.A N ARG 112.A O no hydrogen 3.169 N/A MET 52.A N ARG 38.A O no hydrogen 3.095 N/A THR 53.A N ILE 110.A O no hydrogen 3.012 N/A THR 53.A OG1 SER 35.A O no hydrogen 2.649 N/A ASN 54.A ND2 TRP 60.A O no hydrogen 2.970 N/A CYS 55.A N CYS 108.A O no hydrogen 3.136 N/A GLY 56.A N PRO 81.A O no hydrogen 2.859 N/A LEU 58.A N ASP 106.A O no hydrogen 2.919 N/A GLY 59.A N SER 70.A O no hydrogen 2.934 N/A TRP 60.A N ASN 54.A OD1 no hydrogen 2.930 N/A THR 61.A N LEU 68.A O no hydrogen 2.859 N/A THR 61.A OG1 HIS 63.A NE2 no hydrogen 2.576 N/A HIS 63.A NE2 THR 61.A OG1 no hydrogen 2.576 N/A GLY 66.A N HIS 63.A O no hydrogen 3.052 N/A LEU 68.A N THR 61.A O no hydrogen 2.689 N/A TYR 69.A OH GLU 127.A OE1 no hydrogen 2.573 N/A SER 70.A N GLY 59.A O no hydrogen 2.973 N/A SER 70.A OG ILE 72.A O no hydrogen 2.731 N/A ASP 73.A N LYS 78.A O no hydrogen 2.793 N/A GLN 75.A N ASP 73.A OD1 no hydrogen 2.875 N/A THR 76.A N ASP 73.A O no hydrogen 2.998 N/A THR 76.A OG1 ASP 73.A O no hydrogen 3.362 N/A THR 76.A OG1 LYS 78.A O no hydrogen 3.506 N/A ASN 77.A N ASP 73.A O no hydrogen 2.767 N/A LYS 78.A N THR 76.A OG1 no hydrogen 3.233 N/A TRP 80.A NE1 SER 70.A O no hydrogen 3.000 N/A SER 86.A OG ASP 27.A OD2 no hydrogen 2.594 N/A HIS 88.A N PRO 84.A O no hydrogen 3.048 N/A ASN 89.A N GLN 85.A O no hydrogen 2.842 N/A LEU 90.A N SER 86.A O no hydrogen 3.035 N/A CYS 91.A N PHE 87.A O no hydrogen 2.985 N/A GLN 92.A N HIS 88.A O no hydrogen 3.193 N/A ARG 93.A N ASN 89.A O no hydrogen 2.975 N/A ALA 94.A N LEU 90.A O no hydrogen 2.858 N/A ALA 95.A N CYS 91.A O no hydrogen 2.856 N/A THR 96.A N GLN 92.A O no hydrogen 3.014 N/A THR 96.A OG1 GLN 92.A O no hydrogen 2.801 N/A ALA 97.A N ARG 93.A O no hydrogen 3.117 N/A ALA 98.A N ALA 94.A O no hydrogen 2.978 N/A ALA 98.A N ALA 95.A O no hydrogen 3.307 N/A GLY 99.A N THR 96.A O no hydrogen 3.270 N/A TYR 100.A N ALA 95.A O no hydrogen 2.663 N/A TYR 100.A OH GLY 9.A O no hydrogen 2.591 N/A ASP 106.A N ARG 201.A O no hydrogen 3.026 N/A CYS 108.A N CYS 55.A O no hydrogen 3.066 N/A LEU 109.A N THR 199.A O no hydrogen 2.923 N/A ILE 110.A N THR 53.A O no hydrogen 2.798 N/A ASN 111.A N ASN 197.A O no hydrogen 2.903 N/A ASN 111.A ND2 ASN 197.A OD1 no hydrogen 2.711 N/A ARG 112.A N ALA 51.A O no hydrogen 2.939 N/A ARG 112.A NH1 TYR 196.A OH no hydrogen 2.831 N/A TYR 113.A N ARG 195.A O no hydrogen 2.861 N/A GLY 116.A N LEU 183.A O no hydrogen 2.640 N/A ALA 117.A N ALA 114.A O no hydrogen 2.833 N/A LYS 118.A N SER 49.A OG no hydrogen 3.027 N/A LEU 119.A N ILE 180.A O no hydrogen 2.987 N/A HIS 122.A N HIS 178.A O no hydrogen 3.018 N/A HIS 122.A ND1 SER 120.A O no hydrogen 2.896 N/A GLN 123.A NE2 LEU 175.A O no hydrogen 2.816 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 3.365 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 2.920 N/A ARG 131.A NH2 ASP 129.A OD2 no hydrogen 2.936 N/A ILE 134.A N TRP 169.A O no hydrogen 2.777 N/A VAL 135.A N PHE 200.A O no hydrogen 3.305 N/A SER 136.A N VAL 167.A O no hydrogen 2.764 N/A VAL 137.A N LEU 198.A O no hydrogen 2.862 N/A SER 138.A N ASP 165.A O no hydrogen 2.813 N/A LEU 139.A N TYR 196.A O no hydrogen 2.797 N/A GLY 140.A N HIS 163.A ND1 no hydrogen 2.997 N/A LEU 141.A N CYS 194.A O no hydrogen 3.150 N/A ALA 143.A N LEU 161.A O no hydrogen 3.034 N/A PHE 145.A N LEU 159.A O no hydrogen 2.715 N/A GLN 146.A N GLY 179.A O no hydrogen 2.723 N/A PHE 147.A N LYS 157.A O no hydrogen 2.949 N/A GLY 148.A N TYR 177.A O no hydrogen 2.818 N/A LYS 151.A N ASP 154.A OD2 no hydrogen 3.205 N/A ASP 154.A N LYS 151.A O no hydrogen 2.919 N/A LYS 157.A N PHE 147.A O no hydrogen 2.830 N/A LEU 159.A N PHE 145.A O no hydrogen 2.888 N/A LEU 161.A N ALA 143.A O no hydrogen 2.834 N/A GLU 162.A N ASP 165.A OD1 no hydrogen 2.750 N/A GLY 164.A N SER 138.A O no hydrogen 2.841 N/A ASP 165.A N GLU 162.A O no hydrogen 2.826 N/A VAL 166.A N LEU 13.A O no hydrogen 3.117 N/A VAL 167.A N SER 136.A O no hydrogen 2.694 N/A VAL 168.A N VAL 11.A O no hydrogen 3.056 N/A TRP 169.A N ILE 134.A O no hydrogen 3.091 N/A SER 173.A N GLY 170.A O no hydrogen 3.178 N/A SER 173.A OG ALA 8.A O no hydrogen 2.851 N/A SER 173.A OG GLY 170.A O no hydrogen 3.133 N/A ARG 174.A N GLY 171.A O no hydrogen 3.080 N/A ARG 174.A NE ALA 132.A O no hydrogen 2.790 N/A ARG 174.A NH1 ASP 124.A O no hydrogen 2.707 N/A ARG 174.A NH1 ARG 174.A O no hydrogen 3.105 N/A ARG 174.A NH2 GLU 127.A OE2 no hydrogen 2.864 N/A PHE 176.A N SER 173.A O no hydrogen 3.133 N/A TYR 177.A N GLY 149.A O no hydrogen 2.981 N/A HIS 178.A N HIS 122.A O no hydrogen 3.013 N/A HIS 178.A ND1 PHE 176.A O no hydrogen 3.020 N/A GLY 179.A N GLN 146.A O no hydrogen 3.012 N/A ILE 180.A N LEU 119.A O no hydrogen 2.890 N/A GLN 181.A N ILE 144.A O no hydrogen 3.023 N/A LEU 183.A N ALA 117.A O no hydrogen 2.908 N/A HIS 188.A N ILE 192.A O no hydrogen 2.994 N/A LEU 190.A N HIS 188.A ND1 no hydrogen 3.139 N/A THR 191.A OG1 CYS 194.A O no hydrogen 2.595 N/A ILE 192.A N HIS 188.A O no hydrogen 2.622 N/A ASP 193.A N THR 191.A O no hydrogen 2.931 N/A CYS 194.A SG.A THR 191.A O no hydrogen 3.708 N/A CYS 194.A SG.B TYR 113.A O no hydrogen 2.782 N/A ARG 195.A N TYR 113.A O no hydrogen 3.059 N/A ARG 195.A NH2 SER 138.A OG no hydrogen 2.893 N/A TYR 196.A N LEU 139.A O no hydrogen 2.760 N/A ASN 197.A N ASN 111.A O no hydrogen 2.976 N/A ASN 197.A ND2 SER 136.A OG no hydrogen 2.962 N/A ASN 197.A ND2 VAL 137.A O no hydrogen 3.494 N/A LEU 198.A N VAL 137.A O no hydrogen 3.010 N/A THR 199.A N LEU 109.A O no hydrogen 2.872 N/A THR 199.A OG1 ASN 197.A OD1 no hydrogen 2.720 N/A PHE 200.A N VAL 135.A O no hydrogen 2.880 N/A ARG 201.A N ALA 107.A O no hydrogen 2.843 N/A ARG 201.A NH1 ASP 124.A OD2 no hydrogen 2.795 N/A ALA 203.A N ASP 106.A OD1 no hydrogen 2.618 N/A GLY 204.A N ASP 106.A OD2 no hydrogen 2.827 N/A LYS 206.A NZ ASP 102.A O no hydrogen 3.327 N/A