Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kwb_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N TYR 169.A O no hydrogen 2.885 N/A TYR 7.A N VAL 167.A O no hydrogen 2.891 N/A TYR 7.A OH ALA 126.A O no hydrogen 2.823 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 3.074 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 2.942 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 3.277 N/A ARG 8.A NH2 ASP 6.A OD2 no hydrogen 2.733 N/A LYS 9.A N ASP 6.A O no hydrogen 2.987 N/A LYS 10.A N TYR 7.A O no hydrogen 3.016 N/A GLY 11.A N ARG 8.A O no hydrogen 3.414 N/A TYR 12.A N TYR 7.A O no hydrogen 3.151 N/A THR 14.A OG1 GLU 35.A OE1 no hydrogen 2.961 N/A GLN 19.A N SER 183.A O no hydrogen 2.891 N/A GLN 19.A NE2 CYS 22.A O no hydrogen 2.799 N/A GLY 20.A N ASN 18.A OD1 no hydrogen 2.917 N/A CYS 22.A SG SER 24.A OG no hydrogen 3.374 N/A SER 24.A OG CYS 22.A O no hydrogen 3.539 N/A SER 24.A OG TYR 89.A OH no hydrogen 2.707 N/A TRP 26.A NE1 GLY 62.A O no hydrogen 3.005 N/A ALA 27.A N SER 24.A O no hydrogen 2.774 N/A PHE 28.A N SER 24.A O no hydrogen 3.302 N/A SER 29.A N CYS 25.A O no hydrogen 2.834 N/A SER 29.A OG SER 132.A OG no hydrogen 3.206 N/A SER 29.A OG VAL 164.A O no hydrogen 2.684 N/A SER 30.A N TRP 26.A O no hydrogen 3.030 N/A SER 30.A OG TRP 26.A O no hydrogen 2.747 N/A VAL 31.A N ALA 27.A O no hydrogen 2.912 N/A GLY 32.A N PHE 28.A O no hydrogen 2.844 N/A ALA 33.A N SER 29.A O no hydrogen 3.086 N/A LEU 34.A N SER 30.A O no hydrogen 2.979 N/A GLU 35.A N VAL 31.A O no hydrogen 2.814 N/A GLY 36.A N GLY 32.A O no hydrogen 3.151 N/A GLN 37.A N ALA 33.A O no hydrogen 3.268 N/A GLN 37.A NE2 VAL 128.A O no hydrogen 2.919 N/A LEU 38.A N LEU 34.A O no hydrogen 2.921 N/A LYS 39.A N GLU 35.A O no hydrogen 3.174 N/A LYS 39.A NZ GLY 43.A O no hydrogen 2.952 N/A LYS 40.A N GLY 36.A O no hydrogen 3.048 N/A LYS 40.A NZ ARG 127.A O no hydrogen 2.893 N/A LYS 40.A NZ VAL 128.A O no hydrogen 3.471 N/A LYS 41.A N GLN 37.A O no hydrogen 2.807 N/A THR 42.A N LEU 38.A O no hydrogen 2.773 N/A THR 42.A OG1 LEU 38.A O no hydrogen 2.884 N/A GLY 43.A N LYS 39.A O no hydrogen 2.730 N/A LYS 44.A N THR 42.A OG1 no hydrogen 3.206 N/A LEU 48.A N GLU 35.A OE2 no hydrogen 2.787 N/A SER 49.A N ASP 82.A O no hydrogen 2.966 N/A SER 49.A OG TYR 87.A O no hydrogen 2.798 N/A GLN 51.A NE2 ASP 55.A OD1 no hydrogen 2.937 N/A GLN 51.A NE2 ASP 55.A OD2 no hydrogen 3.287 N/A GLN 51.A NE2 GLN 92.A O no hydrogen 2.971 N/A ASN 52.A N SER 49.A OG no hydrogen 2.976 N/A ASN 52.A ND2 TYR 74.A OH no hydrogen 3.151 N/A VAL 54.A N PRO 50.A O no hydrogen 2.891 N/A ASP 55.A N GLN 51.A O no hydrogen 2.920 N/A CYS 56.A N ASN 52.A O no hydrogen 3.056 N/A CYS 56.A SG ASN 52.A O no hydrogen 3.123 N/A VAL 57.A N LEU 53.A O no hydrogen 2.881 N/A SER 58.A OG GLU 59.A OE1 no hydrogen 3.495 N/A SER 58.A OG GLU 59.A OE2 no hydrogen 3.565 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.685 N/A ASN 60.A N VAL 57.A O no hydrogen 2.943 N/A ASP 61.A N GLY 65.A O no hydrogen 2.675 N/A CYS 63.A N GLU 93.A OE1 no hydrogen 3.475 N/A CYS 63.A N GLU 93.A OE2 no hydrogen 3.054 N/A GLY 64.A N ASP 61.A O no hydrogen 2.799 N/A GLY 65.A N GLY 62.A O no hydrogen 3.267 N/A ALA 71.A N TYR 67.A O no hydrogen 3.397 N/A PHE 72.A N MET 68.A O no hydrogen 2.977 N/A GLN 73.A N THR 69.A O no hydrogen 3.131 N/A TYR 74.A N ASN 70.A O no hydrogen 2.993 N/A VAL 75.A N ALA 71.A O no hydrogen 3.069 N/A GLN 76.A N PHE 72.A O no hydrogen 3.128 N/A LYS 77.A N GLN 73.A O no hydrogen 2.838 N/A LYS 77.A NZ GLN 73.A OE1 no hydrogen 3.087 N/A ASN 78.A N TYR 74.A O no hydrogen 2.595 N/A ASN 78.A ND2 GLY 80.A O no hydrogen 2.561 N/A ARG 79.A N GLN 76.A O no hydrogen 3.047 N/A GLY 80.A N VAL 75.A O no hydrogen 2.801 N/A ILE 81.A N ALA 105.A O no hydrogen 2.929 N/A ASP 82.A N ASN 52.A OD1 no hydrogen 2.921 N/A SER 83.A N GLY 102.A O no hydrogen 3.137 N/A GLU 84.A N ASN 47.A O no hydrogen 2.772 N/A ALA 86.A N SER 83.A O no hydrogen 3.069 N/A ALA 86.A N SER 83.A OG no hydrogen 2.977 N/A TYR 87.A N SER 83.A O no hydrogen 3.091 N/A TYR 87.A N GLU 84.A O no hydrogen 3.278 N/A TYR 87.A OH ASP 55.A OD2 no hydrogen 2.746 N/A TYR 89.A N GLU 84.A OE2 no hydrogen 2.860 N/A TYR 89.A OH GLN 19.A O no hydrogen 2.609 N/A TYR 89.A OH SER 24.A OG no hydrogen 2.707 N/A VAL 90.A N GLN 51.A OE1 no hydrogen 2.874 N/A GLY 91.A N GLN 51.A OE1 no hydrogen 2.740 N/A MET 97.A N TYR 87.A OH no hydrogen 3.025 N/A ASN 99.A N ASP 82.A OD2 no hydrogen 3.094 N/A THR 101.A N ASN 99.A OD1 no hydrogen 3.045 N/A THR 101.A OG1 ASN 99.A OD1 no hydrogen 2.753 N/A GLY 102.A N ASN 99.A O no hydrogen 2.926 N/A LYS 103.A N PRO 100.A O no hydrogen 3.015 N/A LYS 103.A NZ ARG 79.A O no hydrogen 3.189 N/A ALA 104.A N ILE 81.A O no hydrogen 2.899 N/A LYS 106.A NZ CYS 107.A O no hydrogen 3.313 N/A CYS 107.A SG PHE 72.A O no hydrogen 3.466 N/A CYS 107.A SG GLY 109.A O no hydrogen 3.044 N/A CYS 107.A SG LYS 214.A O no hydrogen 3.771 N/A ARG 108.A N LYS 214.A O no hydrogen 2.848 N/A ARG 111.A N PHE 212.A O no hydrogen 3.008 N/A ILE 113.A N ALA 210.A O no hydrogen 3.040 N/A GLY 116.A N ALA 207.A O no hydrogen 2.678 N/A ASN 117.A N PRO 114.A O no hydrogen 2.952 N/A ALA 120.A N ASN 117.A OD1 no hydrogen 2.782 N/A LEU 121.A N ASN 117.A O no hydrogen 3.000 N/A LYS 122.A N GLU 118.A O no hydrogen 2.842 N/A LYS 122.A NZ PRO 2.A O no hydrogen 3.252 N/A LYS 122.A NZ TYR 169.A OH no hydrogen 3.396 N/A ARG 123.A N LYS 119.A O no hydrogen 3.180 N/A ALA 124.A N ALA 120.A O no hydrogen 2.868 N/A VAL 125.A N LEU 121.A O no hydrogen 2.889 N/A ALA 126.A N LYS 122.A O no hydrogen 2.951 N/A ARG 127.A N ARG 123.A O no hydrogen 3.023 N/A VAL 128.A N ALA 124.A O no hydrogen 2.741 N/A GLY 129.A N VAL 125.A O no hydrogen 3.040 N/A VAL 131.A N ALA 166.A O no hydrogen 3.027 N/A SER 132.A N SER 211.A O no hydrogen 2.997 N/A SER 132.A OG SER 29.A O no hydrogen 3.018 N/A SER 132.A OG SER 29.A OG no hydrogen 3.206 N/A VAL 133.A N VAL 164.A O no hydrogen 3.183 N/A ILE 135.A N HIS 162.A O no hydrogen 2.855 N/A ASP 136.A N CYS 204.A O no hydrogen 3.098 N/A ALA 137.A N ASN 161.A OD1 no hydrogen 2.884 N/A SER 138.A N ASP 136.A OD1 no hydrogen 3.133 N/A SER 138.A OG ASP 136.A OD1 no hydrogen 2.761 N/A SER 141.A OG TYR 150.A OH no hydrogen 2.631 N/A SER 141.A OG ASP 152.A OD2 no hydrogen 2.858 N/A PHE 142.A N LEU 139.A O no hydrogen 3.148 N/A GLN 143.A N LEU 139.A O no hydrogen 3.268 N/A PHE 144.A N THR 140.A O no hydrogen 3.056 N/A TYR 145.A N PHE 142.A O no hydrogen 3.221 N/A TYR 145.A OH GLY 148.A O no hydrogen 2.580 N/A TYR 150.A N LEU 195.A O no hydrogen 2.776 N/A TYR 150.A OH SER 141.A OG no hydrogen 2.631 N/A SER 154.A N ASP 152.A OD1 no hydrogen 2.840 N/A CYS 155.A N ASP 152.A O no hydrogen 3.122 N/A CYS 155.A SG ASP 136.A O no hydrogen 3.145 N/A CYS 155.A SG ASP 136.A OD2 no hydrogen 3.807 N/A ASN 156.A N ASP 136.A OD2 no hydrogen 2.773 N/A ASP 158.A N ASN 156.A OD1 no hydrogen 2.903 N/A ASN 159.A N ASN 156.A O no hydrogen 3.011 N/A ASN 161.A N ILE 135.A O no hydrogen 3.041 N/A ASN 161.A ND2 ASP 136.A OD1 no hydrogen 2.931 N/A HIS 162.A N ILE 135.A O no hydrogen 3.155 N/A HIS 162.A NE2 ASN 182.A OD1 no hydrogen 2.756 N/A VAL 164.A N VAL 133.A O no hydrogen 2.845 N/A LEU 165.A N LYS 181.A O no hydrogen 3.192 N/A ALA 166.A N VAL 131.A O no hydrogen 3.017 N/A VAL 167.A N ILE 179.A O no hydrogen 2.818 N/A TYR 169.A N VAL 5.A O no hydrogen 2.773 N/A TYR 169.A OH PRO 2.A O no hydrogen 2.787 N/A GLY 170.A N HIS 177.A O no hydrogen 3.031 N/A GLN 172.A N ASN 175.A O no hydrogen 2.763 N/A ASN 175.A N GLN 172.A O no hydrogen 2.960 N/A HIS 177.A N GLY 170.A O no hydrogen 2.831 N/A TRP 178.A N MET 196.A O no hydrogen 2.717 N/A TRP 178.A NE1 GLU 118.A OE1 no hydrogen 2.874 N/A ILE 179.A N GLY 168.A O no hydrogen 2.867 N/A ILE 180.A N ILE 194.A O no hydrogen 2.973 N/A LYS 181.A N LEU 165.A O no hydrogen 2.757 N/A LYS 181.A NZ THR 14.A O no hydrogen 2.701 N/A LYS 181.A NZ PRO 15.A O no hydrogen 3.338 N/A ASN 182.A N GLY 192.A O no hydrogen 3.112 N/A SER 183.A N ASN 182.A OD1 no hydrogen 2.680 N/A SER 183.A OG GLN 19.A OE1 no hydrogen 2.835 N/A GLY 185.A N LYS 17.A O no hydrogen 2.908 N/A ASN 190.A N TYR 193.A O no hydrogen 2.822 N/A GLY 192.A N TRP 188.A O no hydrogen 2.747 N/A TYR 193.A N ASN 190.A O no hydrogen 2.968 N/A ILE 194.A N ILE 180.A O no hydrogen 2.977 N/A LEU 195.A N TYR 145.A OH no hydrogen 3.327 N/A MET 196.A N TRP 178.A O no hydrogen 2.994 N/A ALA 197.A N TYR 150.A O no hydrogen 3.028 N/A ARG 198.A N LYS 176.A O no hydrogen 2.785 N/A ARG 198.A NE HIS 177.A O no hydrogen 2.939 N/A ARG 198.A NH2 GLY 170.A O no hydrogen 2.960 N/A ASN 199.A N GLU 118.A OE1 no hydrogen 3.066 N/A ASN 202.A N GLU 118.A OE2 no hydrogen 2.925 N/A CYS 204.A SG ASP 136.A O no hydrogen 3.713 N/A GLY 205.A N ASN 202.A O no hydrogen 2.860 N/A ALA 207.A N ASN 202.A OD1 no hydrogen 2.685 N/A ASN 208.A N GLY 205.A O no hydrogen 2.915 N/A ASN 208.A ND2 SER 157.A O no hydrogen 2.863 N/A SER 211.A N SER 132.A O no hydrogen 2.953 N/A PHE 212.A N ARG 111.A O no hydrogen 3.079 N/A LYS 214.A N GLY 109.A O no hydrogen 2.964 N/A