Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ HIS 39.A O no hydrogen 3.272 N/A LYS 2.A NZ TYR 214.A OH no hydrogen 3.557 N/A ALA 4.A N GLU 42.A O no hydrogen 3.007 N/A LEU 5.A N VAL 79.A O no hydrogen 2.706 N/A ILE 6.A N ASP 44.A O no hydrogen 2.897 N/A SER 7.A N PHE 81.A O no hydrogen 2.884 N/A SER 7.A OG TYR 92.A OH no hydrogen 2.836 N/A LEU 8.A N VAL 46.A O no hydrogen 2.858 N/A THR 9.A OG1 ASP 91.A OD1 no hydrogen 2.615 N/A THR 9.A OG1 ASP 91.A OD2 no hydrogen 3.391 N/A SER 10.A N ASP 91.A OD2 no hydrogen 2.449 N/A SER 10.A OG SER 47.A OG no hydrogen 3.119 N/A TYR 11.A N THR 9.A OG1 no hydrogen 3.405 N/A TYR 11.A OH PRO 14.A O no hydrogen 3.079 N/A HIS 12.A ND1 THR 22.A O no hydrogen 2.974 N/A PHE 15.A N ALA 20.A O no hydrogen 3.409 N/A TYR 16.A OH ASP 55.A OD1 no hydrogen 2.496 N/A TYR 16.A OH HIS 86.A ND1 no hydrogen 3.339 N/A LYS 17.A NZ ASP 155.A OD1 no hydrogen 2.953 N/A LYS 17.A NZ ASP 155.A OD2 no hydrogen 3.024 N/A GLY 19.A N TYR 16.A O no hydrogen 2.978 N/A ALA 20.A N ASP 18.A OD2 no hydrogen 3.429 N/A VAL 24.A N GLY 53.A O no hydrogen 2.945 N/A LEU 30.A N VAL 26.A O no hydrogen 3.271 N/A ARG 31.A N VAL 27.A O no hydrogen 3.142 N/A SER 32.A N GLU 28.A O no hydrogen 2.924 N/A PHE 33.A N ILE 29.A O no hydrogen 2.766 N/A ASP 34.A N LEU 30.A O no hydrogen 2.723 N/A THR 35.A N ARG 31.A O no hydrogen 2.874 N/A THR 35.A OG1 ARG 31.A O no hydrogen 2.537 N/A PHE 36.A N SER 32.A O no hydrogen 2.773 N/A GLU 37.A N PHE 33.A O no hydrogen 2.709 N/A LYS 38.A N ASP 34.A O no hydrogen 2.628 N/A HIS 39.A N PHE 36.A O no hydrogen 3.168 N/A HIS 39.A ND1 THR 35.A O no hydrogen 2.686 N/A GLY 40.A N GLU 37.A O no hydrogen 2.903 N/A PHE 41.A N PHE 36.A O no hydrogen 3.027 N/A GLU 42.A N LYS 2.A O no hydrogen 2.936 N/A VAL 43.A N GLU 37.A OE1 no hydrogen 3.082 N/A ASP 44.A N ALA 4.A O no hydrogen 3.023 N/A VAL 46.A N ILE 6.A O no hydrogen 2.998 N/A SER 47.A N LYS 67.A O no hydrogen 2.935 N/A SER 47.A OG SER 10.A OG no hydrogen 3.119 N/A SER 47.A OG GLY 51.A O no hydrogen 2.599 N/A GLY 50.A N SER 47.A O no hydrogen 3.092 N/A GLY 51.A N THR 49.A OG1 no hydrogen 2.908 N/A GLU 56.A N LYS 21.A O no hydrogen 2.609 N/A TYR 58.A N ASP 55.A O no hydrogen 2.588 N/A LEU 63.A N PHE 59.A O no hydrogen 2.929 N/A ALA 64.A N ASN 60.A O no hydrogen 2.748 N/A ALA 64.A N LYS 61.A O no hydrogen 2.609 N/A ARG 65.A N LYS 61.A O no hydrogen 2.862 N/A LYS 67.A N PHE 45.A O no hydrogen 3.070 N/A LYS 67.A NZ TYR 77.A OH no hydrogen 3.224 N/A ALA 69.A N SER 47.A O no hydrogen 2.872 N/A GLU 71.A N THR 68.A O no hydrogen 2.803 N/A VAL 72.A N ALA 69.A O no hydrogen 3.393 N/A SER 75.A OG ASN 73.A OD1 no hydrogen 2.860 N/A ASP 76.A N ASN 73.A O no hydrogen 3.052 N/A TYR 77.A N ALA 74.A O no hydrogen 3.081 N/A TYR 77.A OH ASP 44.A OD2 no hydrogen 2.608 N/A LYS 78.A N ARG 3.A O no hydrogen 2.666 N/A VAL 79.A N ARG 3.A O no hydrogen 3.417 N/A PHE 80.A N VAL 111.A O no hydrogen 2.944 N/A PHE 81.A N LEU 5.A O no hydrogen 2.716 N/A ALA 82.A N ALA 113.A O no hydrogen 2.702 N/A SER 83.A N SER 7.A O no hydrogen 3.006 N/A SER 83.A OG SER 7.A O no hydrogen 2.535 N/A ALA 84.A N GLU 28.A OE1 no hydrogen 2.639 N/A ALA 88.A N GLY 85.A O no hydrogen 3.102 N/A LEU 89.A N HIS 86.A O no hydrogen 2.843 N/A PHE 90.A N GLY 87.A O no hydrogen 3.077 N/A ASP 91.A N GLY 87.A O no hydrogen 3.477 N/A TYR 92.A N ALA 88.A O no hydrogen 3.096 N/A TYR 92.A OH SER 83.A O no hydrogen 2.733 N/A LYS 94.A N ASP 91.A O no hydrogen 2.782 N/A ALA 95.A N TYR 92.A O no hydrogen 3.196 N/A ASN 97.A N GLU 48.A OE2 no hydrogen 2.593 N/A LEU 98.A N GLU 48.A OE1 no hydrogen 2.808 N/A GLN 99.A N ALA 95.A O no hydrogen 2.927 N/A GLN 99.A NE2 PRO 93.A O no hydrogen 3.691 N/A GLN 99.A NE2 LEU 121.A O no hydrogen 2.839 N/A ASP 100.A N LYS 96.A O no hydrogen 3.053 N/A ILE 101.A N ASN 97.A O no hydrogen 3.099 N/A ALA 102.A N LEU 98.A O no hydrogen 3.056 N/A SER 103.A N GLN 99.A O no hydrogen 2.909 N/A SER 103.A OG GLN 99.A O no hydrogen 2.881 N/A SER 103.A OG ILE 126.A O no hydrogen 3.014 N/A LYS 104.A N ASP 100.A O no hydrogen 3.159 N/A LYS 104.A N ILE 101.A O no hydrogen 3.185 N/A LYS 104.A NZ ASP 100.A OD1 no hydrogen 2.738 N/A LYS 104.A NZ ASP 100.A OD2 no hydrogen 3.014 N/A ILE 105.A N ILE 101.A O no hydrogen 3.026 N/A TYR 106.A N ALA 102.A O no hydrogen 2.932 N/A ALA 107.A N SER 103.A O no hydrogen 2.796 N/A ASN 108.A N LYS 104.A O no hydrogen 2.999 N/A ASN 108.A N ILE 105.A O no hydrogen 3.245 N/A GLY 109.A N TYR 106.A O no hydrogen 2.817 N/A GLY 110.A N ILE 105.A O no hydrogen 2.787 N/A VAL 111.A N LYS 78.A O no hydrogen 2.951 N/A ILE 112.A N LYS 192.A O no hydrogen 3.023 N/A ALA 113.A N PHE 80.A O no hydrogen 2.756 N/A ALA 114.A N VAL 194.A O no hydrogen 3.033 N/A ILE 115.A N ALA 82.A O no hydrogen 2.988 N/A CYS 116.A N GLY 196.A O no hydrogen 3.086 N/A CYS 116.A SG HIS 117.A ND1 no hydrogen 3.456 N/A HIS 117.A NE2 GLU 148.A OE1 no hydrogen 3.101 N/A GLY 118.A N ILE 115.A O no hydrogen 2.522 N/A LEU 120.A N HIS 117.A O no hydrogen 3.023 N/A LEU 121.A N GLY 118.A O no hydrogen 2.912 N/A PHE 122.A N PRO 119.A O no hydrogen 2.831 N/A ASP 123.A N LEU 120.A O no hydrogen 2.843 N/A GLY 124.A N ASN 172.A OD1 no hydrogen 3.035 N/A LEU 125.A N PHE 122.A O no hydrogen 3.062 N/A ASP 127.A N ARG 132.A O no hydrogen 2.672 N/A THR 130.A N ASP 127.A OD2 no hydrogen 3.075 N/A THR 131.A N ASP 127.A O no hydrogen 2.540 N/A ARG 132.A N THR 130.A OG1 no hydrogen 3.133 N/A LEU 134.A N LEU 125.A O no hydrogen 2.739 N/A GLU 136.A N PRO 133.A O no hydrogen 2.956 N/A GLY 137.A N GLY 173.A O no hydrogen 2.569 N/A LYS 138.A N ILE 135.A O no hydrogen 2.968 N/A LYS 138.A NZ ASP 190.A O no hydrogen 2.886 N/A LYS 138.A NZ ASP 190.A OD1 no hydrogen 3.127 N/A ALA 139.A N ASP 190.A OD2 no hydrogen 2.564 N/A ILE 140.A N LYS 175.A O no hydrogen 3.032 N/A THR 141.A N THR 195.A OG1 no hydrogen 2.776 N/A PHE 143.A N CYS 116.A O no hydrogen 2.786 N/A LEU 145.A N GLU 166.A OE2 no hydrogen 2.618 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.654 N/A GLY 147.A N PRO 144.A O no hydrogen 2.734 N/A GLU 148.A N PRO 144.A O no hydrogen 3.427 N/A ILE 149.A N LEU 145.A O no hydrogen 2.938 N/A ALA 150.A N GLU 146.A O no hydrogen 2.928 N/A LEU 151.A N GLY 147.A O no hydrogen 2.870 N/A GLY 152.A N ILE 149.A O no hydrogen 2.897 N/A LEU 157.A N VAL 153.A O no hydrogen 3.262 N/A ARG 158.A N ASP 154.A O no hydrogen 3.150 N/A SER 159.A N ASP 155.A O no hydrogen 2.714 N/A ARG 160.A N ILE 156.A O no hydrogen 2.899 N/A LYS 161.A N ARG 158.A O no hydrogen 3.367 N/A LEU 162.A N LEU 157.A O no hydrogen 2.850 N/A ARG 167.A N THR 164.A OG1 no hydrogen 3.043 N/A VAL 168.A N THR 164.A O no hydrogen 2.979 N/A ALA 169.A N VAL 165.A O no hydrogen 2.847 N/A ASN 170.A N GLU 166.A O no hydrogen 2.974 N/A LYS 171.A N ARG 167.A O no hydrogen 2.735 N/A ASN 172.A N ALA 169.A O no hydrogen 3.168 N/A ASN 172.A ND2 ASP 123.A OD1 no hydrogen 3.529 N/A ASN 172.A ND2 VAL 168.A O no hydrogen 2.642 N/A GLY 173.A N ASN 170.A O no hydrogen 3.249 N/A ALA 174.A N ALA 169.A O no hydrogen 2.782 N/A LYS 175.A N LYS 138.A O no hydrogen 2.795 N/A TYR 176.A OH GLY 142.A O no hydrogen 2.637 N/A LEU 177.A N ILE 140.A O no hydrogen 2.918 N/A HIS 181.A N ASP 184.A OD1 no hydrogen 2.837 N/A HIS 181.A ND1 ASP 184.A OD2 no hydrogen 2.782 N/A ASP 184.A N HIS 181.A O no hydrogen 2.801 N/A TYR 186.A N SER 201.A OG no hydrogen 2.932 N/A ILE 188.A N THR 195.A O no hydrogen 2.795 N/A ASP 190.A N LEU 193.A O no hydrogen 2.837 N/A LYS 192.A NZ GLY 109.A O no hydrogen 2.952 N/A LEU 193.A N ASP 190.A O no hydrogen 3.072 N/A VAL 194.A N ILE 112.A O no hydrogen 2.885 N/A THR 195.A N ILE 188.A O no hydrogen 2.990 N/A GLY 196.A N ALA 114.A O no hydrogen 3.116 N/A VAL 197.A N TYR 186.A O no hydrogen 3.092 N/A ASN 198.A ND2 PRO 182.A O no hydrogen 2.636 N/A ASN 198.A ND2 ASP 184.A O no hydrogen 2.857 N/A ASN 200.A ND2 TRP 183.A O no hydrogen 2.968 N/A SER 201.A N ASN 198.A O no hydrogen 2.928 N/A SER 201.A OG ASP 185.A OD1 no hydrogen 3.569 N/A SER 201.A OG TYR 186.A O no hydrogen 3.318 N/A SER 201.A OG ASN 198.A OD1 no hydrogen 3.028 N/A SER 202.A N ALA 199.A O no hydrogen 2.947 N/A SER 202.A OG ALA 199.A O no hydrogen 2.358 N/A SER 204.A OG ASP 185.A OD1 no hydrogen 2.760 N/A SER 204.A OG ASP 185.A OD2 no hydrogen 2.818 N/A THR 205.A N SER 201.A O no hydrogen 2.772 N/A THR 205.A OG1 SER 187.A OG no hydrogen 3.038 N/A THR 205.A OG1 SER 201.A O no hydrogen 2.575 N/A THR 206.A N SER 202.A O no hydrogen 3.050 N/A THR 206.A OG1 TYR 203.A O no hydrogen 3.507 N/A ILE 207.A N TYR 203.A O no hydrogen 2.769 N/A ARG 208.A N SER 204.A O no hydrogen 2.719 N/A ARG 208.A NH1 THR 189.A OG1 no hydrogen 2.883 N/A ALA 209.A N THR 205.A O no hydrogen 2.966 N/A ILE 210.A N THR 206.A O no hydrogen 2.899 N/A ASN 211.A N ILE 207.A O no hydrogen 2.962 N/A ALA 212.A N ARG 208.A O no hydrogen 2.812 N/A LEU 213.A N ALA 209.A O no hydrogen 3.243 N/A LEU 213.A N ILE 210.A O no hydrogen 3.351 N/A TYR 214.A N ASN 211.A O no hydrogen 3.071 N/A SER 215.A N ALA 212.A O no hydrogen 3.234 N/A SER 215.A OG ALA 212.A O no hydrogen 3.171 N/A