| 1 | M | 44.1 | Very low | 52.4 | Low | 251 Ų | 251 | 168.5 Ų | 168.5 | 100% | 1.236 | 86% | 0.859 | S | S | * | * | | | | 0 | 137.4 | 0 | -86.9 | 176.8 | 170 | 0 | 0 | 108.1 | | |
| 2 | I | 47.4 | Very low | 52.4 | Low | 144 Ų | 144 | 167.9 Ų | 167.9 | 74% | 0.738 | 86% | 0.859 | S | S | * | * | | | trans | -65.9 | 148.4 | -170.8 | -65.1 | 151.5 | 0 | 0 | 0 | 111.2 | E4 | I2-E4 HydrophobicContact CG2-CB 4.4Å; I2-E4 HydrophobicContact CG2-CG 4.14Å |
| 3 | S | 56.1 | Low | 52.7 | Low | 124 Ų | 124 | 161.8 Ų | 161.8 | 87% | 0.867 | 85% | 0.849 | S | S | * | * | | | trans | -147.4 | 84.2 | 143.3 | -71.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 4 | E | 52.9 | Low | 52.4 | Low | 161 Ų | 161 | 163.3 Ų | 163.3 | 75% | 0.752 | 85% | 0.85 | S | S | * | * | | | trans | -65.7 | 124.7 | 152.2 | -67.9 | -179.3 | 147.4 | 0 | 0 | 106.6 | I2 | I2-E4 HydrophobicContact CG2-CB 4.4Å; I2-E4 HydrophobicContact CG2-CG 4.14Å |
| 5 | N | 54.1 | Low | 52 | Low | 159 Ų | 159 | 161.5 Ų | 161.5 | 85% | 0.85 | 84% | 0.842 | S | S | * | * | | | trans | -132.7 | 105.3 | 158.9 | -126.5 | 7.7 | 0 | 0 | 0 | 108.6 | | |
| 6 | K | 54.2 | Low | 52.9 | Low | 189 Ų | 189 | 164.1 Ų | 164.1 | 82% | 0.822 | 84% | 0.844 | S | S | * | * | | | trans | -69.1 | 123.3 | 167.6 | -64.5 | 179.2 | 178.8 | -179.2 | 0 | 107.5 | | |
| 7 | H | 51.1 | Low | 52.9 | Low | 170 Ų | 170 | 162.4 Ų | 162.4 | 79% | 0.787 | 84% | 0.837 | S | S | * | * | | | trans | -121.7 | 105.7 | 153.8 | -124.4 | -68.5 | 0 | 0 | 0 | 108 | | |
| 8 | A | 52.9 | Low | 53 | Low | 91 Ų | 91 | 161.8 Ų | 161.8 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | | | trans | -69.6 | 135.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 9 | E | 57.1 | Low | 52.5 | Low | 181 Ų | 181 | 162.1 Ų | 162.1 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | | | trans | -153.4 | 136.9 | 144 | -146.6 | 170.6 | 161.1 | 0 | 0 | 110.1 | | |
| 10 | R | 49.7 | Very low | 52 | Low | 235 Ų | 235 | 161.4 Ų | 161.4 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | | | trans | -79.6 | 149.5 | -175.9 | -62.6 | 164.7 | 172.4 | 165.2 | -4.2 | 109 | | |
| 11 | T | 56.9 | Low | 51.6 | Low | 148 Ų | 148 | 161.4 Ų | 161.4 | 91% | 0.908 | 83% | 0.827 | S | S | * | * | | | trans | -133.8 | 124.5 | 148.1 | 38.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 12 | D | 51.9 | Low | 51.4 | Low | 162 Ų | 162 | 155.7 Ų | 155.7 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -93.3 | 125.6 | 172 | -159 | -35.7 | 0 | 0 | 0 | 105.4 | | |
| 13 | A | 56 | Low | 51.3 | Low | 88 Ų | 88 | 157 Ų | 157 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -168.2 | 102.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 14 | E | 48.6 | Very low | 50.7 | Low | 183 Ų | 183 | 158.4 Ų | 158.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | | 64.1 | 97.7 | 127.1 | -58.1 | -166.4 | 154.3 | 0 | 0 | 120.8 | | |
| 15 | D | 47.2 | Very low | 50.7 | Low | 137 Ų | 137 | 160.4 Ų | 160.4 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | | 28.3 | 110.5 | 112.3 | -152.6 | -4.8 | 0 | 0 | 0 | 118.1 | N17 | D15-N17 PolarHBondContact OD1-N 2.69Š|
| 16 | K | 65.8 | Low | 50.1 | Low | 203 Ų | 203 | 160.8 Ų | 160.8 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -141.2 | 82.3 | 150 | -70.6 | -157.8 | 179.8 | -172.3 | 0 | 109.8 | N18 | K16-N18 PolarHBondContact O-N 3.02Š|
| 17 | N | 53.3 | Low | 49.5 | Very low | 134 Ų | 134 | 159.3 Ų | 159.3 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | | | trans | -51.7 | 120.1 | 151.9 | -102.2 | -16.4 | 0 | 0 | 0 | 109.4 | D15 | D15-N17 PolarHBondContact OD1-N 2.69Š|
| 18 | N | 55.2 | Low | 49.1 | Very low | 152 Ų | 152 | 155.5 Ų | 155.5 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -117.6 | 85.6 | 160.3 | -163.9 | 38.1 | 0 | 0 | 0 | 107.1 | K16 | K16-N18 PolarHBondContact O-N 3.02Š|
| 19 | E | 42.4 | Very low | 48.8 | Very low | 167 Ų | 167 | 160.3 Ų | 160.3 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | | | trans | -65.1 | 125 | 157.5 | -69 | 175.5 | 149 | 0 | 0 | 107.3 | | |
| 20 | N | 42.3 | Very low | 48.2 | Very low | 148 Ų | 148 | 160 Ų | 160 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -133.6 | 116.6 | 154 | -162.1 | 33.5 | 0 | 0 | 0 | 108.9 | | |
| 21 | E | 44.1 | Very low | 47.7 | Very low | 162 Ų | 162 | 157.6 Ų | 157.6 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | trans | -52.8 | 134.9 | 178.9 | -71.1 | 172.8 | 144.6 | 0 | 0 | 112 | | |
| 22 | E | 41 | Very low | 47.1 | Very low | 132 Ų | 132 | 157.9 Ų | 157.9 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | | | | 65.6 | 103.9 | 98.3 | -134.8 | -172.7 | -168.3 | 0 | 0 | 113.2 | K24 | E22-K24 IonicContact OE1-NZ 2.75Å; E22-K24 PolarHBondContact OE1-NZ 3.06Å |
| 23 | N | 44.8 | Very low | 46.5 | Very low | 171 Ų | 171 | 156.3 Ų | 156.3 | 91% | 0.914 | 78% | 0.783 | S | S | * | * | | | trans | -141.6 | 104.9 | 137.1 | -127.7 | -2.9 | 0 | 0 | 0 | 109.3 | | |
| 24 | K | 43 | Very low | 45.8 | Very low | 154 Ų | 154 | 159 Ų | 159 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | | | trans | -69.7 | 124.9 | 166.2 | -76.8 | 168.9 | 174.6 | 131.5 | 0 | 108.4 | E22 | E22-K24 IonicContact OE1-NZ 2.75Å; E22-K24 PolarHBondContact OE1-NZ 3.06Å |
| 25 | E | 52.3 | Low | 45.5 | Very low | 203 Ų | 203 | 157.9 Ų | 157.9 | 95% | 0.949 | 78% | 0.78 | S | S | * | * | | | trans | -123.2 | 113.5 | 141.6 | -84.9 | -170.4 | 167.2 | 0 | 0 | 108.9 | | |
| 26 | E | 42.6 | Very low | 45.4 | Very low | 166 Ų | 166 | 159.2 Ų | 159.2 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -91.1 | 126 | 177.4 | -179.8 | -176.2 | -165 | 0 | 0 | 107 | | |
| 27 | N | 41.7 | Very low | 44.2 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | trans | -149.5 | 131.4 | 140.6 | -154.8 | -6.7 | 0 | 0 | 0 | 111.4 | | |
| 28 | T | 41.7 | Very low | 44 | Very low | 90 Ų | 90 | 156.2 Ų | 156.2 | 55% | 0.552 | 79% | 0.787 | S | S | * | * | | | trans | -99.7 | 138.1 | -167.8 | 21.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 29 | E | 47.5 | Very low | 43.2 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | trans | -145.2 | 126.9 | 143 | -139.7 | 177 | 150.8 | 0 | 0 | 111.3 | | |
| 30 | K | 43.6 | Very low | 43.1 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | trans | -95.2 | 150.9 | -170.3 | -61.9 | 169.2 | 175.6 | 174.6 | 0 | 110.3 | | |
| 31 | K | 40.4 | Very low | 43 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | 156.9 | 130.1 | 145.7 | -87.9 | 158.9 | -173.4 | 176.7 | 0 | 107.7 | | |
| 32 | N | 43.3 | Very low | 42.9 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | cis | -150.3 | 150.3 | 9.8 | -91.4 | -41.1 | 0 | 0 | 0 | 109 | | |
| 33 | V | 39.1 | Very low | 43.2 | Very low | 130 Ų | 130 | 149.3 Ų | 149.3 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | | | trans | -80.9 | 136.1 | 167.6 | 168.6 | 0 | 0 | 0 | 0 | 109 | | |
| 34 | D | 41.2 | Very low | 43.1 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | -159.9 | 87.9 | 149.9 | -153.4 | -72.6 | 0 | 0 | 0 | 106.5 | | |
| 35 | E | 42.7 | Very low | 43.6 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | | 52.3 | 88 | 103.3 | -87.8 | -168.2 | 140 | 0 | 0 | 115.1 | | |
| 36 | N | 45 | Very low | 43.1 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | | | trans | -147 | 91.7 | 139.5 | -84.7 | -59.7 | 0 | 0 | 0 | 108.5 | | |
| 37 | N | 41.6 | Very low | 43.4 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -89.3 | 168.9 | 149 | -124.4 | 2.3 | 0 | 0 | 0 | 106.8 | | |
| 38 | P | 48.9 | Very low | 43.6 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | cis | -136.7 | 169 | 6 | 36.8 | -17.1 | 0 | 0 | 0 | 114.3 | | |
| 39 | G | 37.8 | Very low | 43.7 | Very low | 75 Ų | 75 | 152.4 Ų | 152.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -170.9 | 80.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G41 | G39-G41 PolarHBondContact O-N 2.65Š|
| 40 | E | 40.5 | Very low | 43.9 | Very low | 203 Ų | 203 | 151 Ų | 151 | 95% | 0.949 | 79% | 0.793 | S | S | * | * | | | trans | -54.4 | 127.7 | 175.6 | -62.4 | 170.2 | 133.2 | 0 | 0 | 111.4 | | |
| 41 | G | 39.9 | Very low | 44.4 | Very low | 76 Ų | 76 | 146.7 Ų | 146.7 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | -143.7 | 66.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | G39 S43 | G39-G41 PolarHBondContact O-N 2.65Å; G41-S43 PolarHBondContact O-N 2.85Å |
| 42 | D | 42 | Very low | 45.3 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | -63.8 | 112.5 | 167.7 | -179.5 | 18.6 | 0 | 0 | 0 | 109.5 | | |
| 43 | S | 47.8 | Very low | 45.5 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | -157.3 | 76.9 | 160.8 | -80.9 | 0 | 0 | 0 | 0 | 109.5 | G41 R45 | G41-S43 PolarHBondContact O-N 2.85Å; S43-R45 PolarHBondContact O-N 3.26Å; S43-R45 VanDerWaalsContact O-N 3.12Å |
| 44 | D | 43.2 | Very low | 46.6 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | | | trans | -54.4 | 100.5 | 154.7 | -164.1 | -7.6 | 0 | 0 | 0 | 110.1 | | |
| 45 | R | 52.1 | Low | 46.9 | Very low | 236 Ų | 236 | 150 Ų | 150 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | -143.1 | 87.3 | 157 | -73.3 | -161.7 | 179.2 | 165.4 | 2.7 | 111 | S43 K47 | S43-R45 PolarHBondContact O-N 3.26Å; S43-R45 VanDerWaalsContact O-N 3.12Å; R45-K47 PolarHBondContact O-N 2.63Å |
| 46 | K | 43.1 | Very low | 47.3 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | | | trans | -34.4 | 127.7 | 149.8 | -63.1 | 178.2 | 178.7 | 177.6 | 0 | 111.8 | | |
| 47 | K | 48.9 | Very low | 47.7 | Very low | 206 Ų | 206 | 146.1 Ų | 146.1 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | | | trans | -133.4 | 99.1 | 148.7 | -93 | -171.9 | 176.4 | -178.6 | 0 | 108.6 | R45 | R45-K47 PolarHBondContact O-N 2.63Š|
| 48 | D | 44.9 | Very low | 48 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | trans | -34.1 | 127.1 | 152.5 | -69.7 | -56.1 | 0 | 0 | 0 | 111.4 | | |
| 49 | D | 44.1 | Very low | 48.1 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | | | | 89.7 | 108.9 | 82.5 | -151.9 | -12.8 | 0 | 0 | 0 | 110.9 | | |
| 50 | E | 52.2 | Low | 48.6 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -161.3 | 65.2 | 143.7 | -101.9 | -159.6 | 162.8 | 0 | 0 | 107.1 | K52 | E50-K52 PolarHBondContact O-N 3.11Š|
| 51 | A | 53 | Low | 48.7 | Very low | 86 Ų | 86 | 147.7 Ų | 147.7 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -68.2 | 90.6 | 159 | 0 | 0 | 0 | 0 | 0 | 107 | K53 | A51-K53 PolarHBondContact O-N 2.86Š|
| 52 | K | 59.2 | Low | 49.4 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -56.6 | 100 | 176.4 | -67.3 | -175.5 | 178.7 | 179.1 | 0 | 109.1 | E50 S54 | E50-K52 PolarHBondContact O-N 3.11Å; K52-S54 VanDerWaalsContact C-N 3.35Å; K52-S54 PolarHBondContact O-N 2.92Å |
| 53 | K | 49.4 | Very low | 49.7 | Very low | 203 Ų | 203 | 152.4 Ų | 152.4 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -57.3 | 99.5 | 162 | -84.4 | -177.3 | 174.9 | 179.4 | 0 | 107.1 | A51 E55 | A51-K53 PolarHBondContact O-N 2.86Å; K53-E55 PolarHBondContact O-N 2.9Å |
| 54 | S | 60.3 | Low | 49.9 | Very low | 109 Ų | 109 | 153.1 Ų | 153.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -63.7 | 121.8 | 163.9 | 48.9 | 0 | 0 | 0 | 0 | 108 | K52 Q56 | K52-S54 VanDerWaalsContact C-N 3.35Å; K52-S54 PolarHBondContact O-N 2.92Å; S54-Q56 PolarHBondContact O-N 2.75Å |
| 55 | E | 48.5 | Very low | 50.5 | Low | 195 Ų | 195 | 155.5 Ų | 155.5 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | trans | -51.8 | 110 | 175.8 | -66.2 | 174.1 | 134.3 | 0 | 0 | 110.1 | K53 G57 | K53-E55 PolarHBondContact O-N 2.9Å; E55-G57 PolarHBondContact O-N 2.85Å |
| 56 | Q | 51.2 | Low | 50.8 | Low | 183 Ų | 183 | 151.1 Ų | 151.1 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | -77.3 | 100.2 | 171.8 | -171.4 | 173.9 | -9.6 | 0 | 0 | 106.9 | S54 D58 | S54-Q56 PolarHBondContact O-N 2.75Å; Q56-D58 PolarHBondContact O-N 3.3Å |
| 57 | G | 52.7 | Low | 51.7 | Low | 60 Ų | 60 | 146.3 Ų | 146.3 | 62% | 0.619 | 78% | 0.783 | S | S | * | * | | | trans | -58.7 | 121.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | E55 T59 | E55-G57 PolarHBondContact O-N 2.85Å; G57-T59 VanDerWaalsContact C-N 3.28Å; G57-T59 PolarHBondContact O-N 3.39Å |
| 58 | D | 47.8 | Very low | 53 | Low | 158 Ų | 158 | 143.9 Ų | 143.9 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | -65.2 | 78.8 | 173 | -68 | -68.5 | 0 | 0 | 0 | 111.3 | Q56 K60 | Q56-D58 PolarHBondContact O-N 3.3Å; D58-K60 PolarHBondContact O-N 3.04Å; D58-K60 VanDerWaalsContact O-N 3.11Å |
| 59 | T | 52.3 | Low | 54.7 | Low | 138 Ų | 138 | 144.3 Ų | 144.3 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | trans | -80.2 | 92.8 | 165.4 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | G57 | G57-T59 VanDerWaalsContact C-N 3.28Å; G57-T59 PolarHBondContact O-N 3.39Å |
| 60 | K | 47 | Very low | 56.5 | Low | 188 Ų | 188 | 145.8 Ų | 145.8 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | | | trans | -52.6 | 141.2 | 163.6 | -69.8 | -174.9 | 178.1 | 179.3 | 0 | 110.4 | D58 | D58-K60 PolarHBondContact O-N 3.04Å; D58-K60 VanDerWaalsContact O-N 3.11Å |
| 61 | S | 44.2 | Very low | 58 | Low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | 77.2 | 103.6 | 157.3 | 70.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 62 | K | 53.3 | Low | 59.3 | Low | 183 Ų | 183 | 146.8 Ų | 146.8 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | S | Bend | | 160.3 | 107.3 | 110.9 | -87.3 | 173 | -178.8 | 169.5 | 0 | 109.1 | | |
| 63 | D | 49.4 | Very low | 60.2 | Low | 137 Ų | 137 | 144.4 Ų | 144.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | 56.2 | 134.6 | 165.1 | -57.4 | -60.3 | 0 | 0 | 0 | 116.7 | K65 | D63-K65 PolarHBondContact O-N 2.82Š|
| 64 | P | 51.3 | Low | 61.6 | Low | 132 Ų | 132 | 143.5 Ų | 143.5 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | trans | -73.2 | 68 | 173.5 | 33.7 | -33.7 | 0 | 0 | 0 | 108.6 | D66 | P64-D66 VanDerWaalsContact C-N 3.31Å; P64-D66 PolarHBondContact O-N 2.99Å |
| 65 | K | 56 | Low | 62.2 | Low | 177 Ų | 177 | 144.1 Ų | 144.1 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | -65.7 | 103.1 | 159.5 | -78.8 | -164.2 | 177.3 | -177.6 | 0 | 105 | D63 G67 | D63-K65 PolarHBondContact O-N 2.82Å; K65-G67 PolarHBondContact O-N 3.3Å |
| 66 | D | 58.6 | Low | 63.2 | Low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | trans | 23.1 | 81.8 | 157.6 | -62.5 | -48.7 | 0 | 0 | 0 | 111 | P64 L68 | P64-D66 VanDerWaalsContact C-N 3.31Å; P64-D66 PolarHBondContact O-N 2.99Å; D66-L68 PolarHBondContact O-N 3.37Å |
| 67 | G | 61.5 | Low | 63.9 | Low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | -56.4 | 91.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | K65 I69 | K65-G67 PolarHBondContact O-N 3.3Å; G67-I69 VanDerWaalsContact C-N 3.32Å; G67-I69 PolarHBondContact O-N 3.17Å |
| 68 | L | 75.6 | Confident | 64.8 | Low | 156 Ų | 156 | 138.6 Ų | 138.6 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | | | trans | -67.6 | 98.6 | 177 | -92 | 147.3 | 0 | 0 | 0 | 105.5 | D66 Q70 | D66-L68 PolarHBondContact O-N 3.37Å; L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-Q70 PolarHBondContact O-N 3.25Å |
| 69 | I | 81.8 | Confident | 65.6 | Low | 147 Ų | 147 | 136.1 Ų | 136.1 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | | | trans | -66.1 | 98.1 | 170.2 | -56.1 | 176.3 | 0 | 0 | 0 | 105.9 | G67 I71 | G67-I69 VanDerWaalsContact C-N 3.32Å; G67-I69 PolarHBondContact O-N 3.17Å; I69-I71 HydrophobicContact CG2-CD1 4.49Å; I69-I71 HydrophobicContact CG2-CG1 3.82Å; I69-I71 PolarHBondContact O-N 3.32Å; I69-I71 VanDerWaalsContact O-N 3.08Å |
| 70 | Q | 81.1 | Confident | 66.5 | Low | 160 Ų | 160 | 133.6 Ų | 133.6 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | | | trans | -73.7 | 98.3 | 170.4 | -76.6 | -173.6 | 12.2 | 0 | 0 | 108.4 | L68 N72 | L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-Q70 PolarHBondContact O-N 3.25Å; Q70-N72 PolarHBondContact O-N 3.08Å |
| 71 | I | 83.1 | Confident | 67.9 | Low | 133 Ų | 133 | 132 Ų | 132 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | | | trans | -83.1 | 101.7 | 170.6 | -55.1 | 176.9 | 0 | 0 | 0 | 107.4 | I69 V73 | I69-I71 HydrophobicContact CG2-CD1 4.49Å; I69-I71 HydrophobicContact CG2-CG1 3.82Å; I69-I71 PolarHBondContact O-N 3.32Å; I69-I71 VanDerWaalsContact O-N 3.08Å; I71-V73 HydrophobicContact CG2-CG2 3.99Å; I71-V73 PolarHBondContact O-N 2.88Å |
| 72 | N | 80.7 | Confident | 69.7 | Low | 136 Ų | 136 | 128.3 Ų | 128.3 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | | | trans | -79.9 | 96.8 | 171.4 | -74.5 | -23.4 | 0 | 0 | 0 | 109.3 | Q70 K74 | Q70-N72 PolarHBondContact O-N 3.08Å; N72-K74 PolarHBondContact O-N 2.79Å |
| 73 | V | 78.4 | Confident | 71.4 | Confident | 122 Ų | 122 | 124.7 Ų | 124.7 | 74% | 0.739 | 70% | 0.698 | S | S | * | * | | | trans | -78.8 | 109.5 | 170.1 | -175.8 | 0 | 0 | 0 | 0 | 108 | I71 | I71-V73 HydrophobicContact CG2-CG2 3.99Å; I71-V73 PolarHBondContact O-N 2.88Å |
| 74 | K | 78.5 | Confident | 73.2 | Confident | 184 Ų | 184 | 124 Ų | 124 | 80% | 0.8 | 69% | 0.694 | S | S | * | * | | | trans | -75.6 | 123.1 | 166.5 | -73.1 | -178.8 | -178.7 | 177 | 0 | 107.9 | N72 I76 | N72-K74 PolarHBondContact O-N 2.79Å; K74-I76 PolarHBondContact O-N 2.75Å |
| 75 | S | 73.5 | Confident | 74.9 | Confident | 123 Ų | 123 | 122 Ų | 122 | 86% | 0.86 | 67% | 0.669 | S | S | * | * | | | trans | -60.3 | 110.1 | 168.2 | -52 | 0 | 0 | 0 | 0 | 108.4 | | |
| 76 | I | 69.5 | Low | 76.5 | Confident | 119 Ų | 119 | 115.5 Ų | 115.5 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | | | trans | -82.4 | 116.7 | 167.7 | 53.4 | 171.5 | 0 | 0 | 0 | 106.8 | K74 D78 | K74-I76 PolarHBondContact O-N 2.75Å; I76-D78 PolarHBondContact O-N 3.06Å |
| 77 | S | 66.8 | Low | 78.1 | Confident | 124 Ų | 124 | 112.6 Ų | 112.6 | 87% | 0.867 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -72.6 | -12.4 | -178.6 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | E79 | S77-E79 PolarHBondContact O-N 3.19Å; S77-E79 VanDerWaalsContact O-N 3.08Å |
| 78 | D | 70.2 | Confident | 79.5 | Confident | 79 Ų | 79 | 114 Ų | 114 | 42% | 0.422 | 63% | 0.627 | S | S | . | * | | | trans | -88 | 64.4 | 179.3 | -157.5 | -9 | 0 | 0 | 0 | 110.6 | I76 A80 | I76-D78 PolarHBondContact O-N 3.06Å; D78-A80 VanDerWaalsContact C-N 3.26Å |
| 79 | E | 65.3 | Low | 80.1 | Confident | 106 Ų | 106 | 110.8 Ų | 110.8 | 50% | 0.495 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.7 | -36.6 | 179 | -66 | -175.7 | -179.1 | 0 | 0 | 110.9 | S77 E81 S82 Y85 | S77-E79 PolarHBondContact O-N 3.19Å; S77-E79 VanDerWaalsContact O-N 3.08Å; E79-E81 VanDerWaalsContact C-N 3.34Å; E79-E81 PolarHBondContact O-N 3.34Å; E79-S82 PolarHBondContact O-N 2.79Å; E79-S82 PolarHBondContact O-OG 3.32Å; E79-Y85 HydrophobicContact CB-CD1 4.33Å; E79-Y85 HydrophobicContact CB-CD2 3.89Å; E79-Y85 HydrophobicContact CB-CE1 4.35Å; E79-Y85 HydrophobicContact CB-CE2 3.88Å; E79-Y85 HydrophobicContact CB-CG 4.1Å; E79-Y85 HydrophobicContact CG-CD2 4.4Å; E79-Y85 HydrophobicContact CG-CE2 4.35Å; E79-Y85 WeakPolarHBondContact O-CB 3.39Å; E79-Y85 WeakPolarHBondContact O-CD1 3.32Å; E79-Y85 VanDerWaalsContact OE2-CE2 3.29Å; E79-Y85 WeakPolarHBondContact OE2-CE2 3.49Å |
| 80 | A | 70.3 | Confident | 80.6 | Confident | 84 Ų | 84 | 110.9 Ų | 110.9 | 69% | 0.694 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -31.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D78 | D78-A80 VanDerWaalsContact C-N 3.26Š|
| 81 | E | 76.3 | Confident | 81.2 | Confident | 155 Ų | 155 | 107 Ų | 107 | 72% | 0.724 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -8.7 | -178.4 | -63 | -169.5 | -174.8 | 0 | 0 | 113.6 | E79 P83 | E79-E81 VanDerWaalsContact C-N 3.34Å; E79-E81 PolarHBondContact O-N 3.34Å; E81-P83 WeakPolarHBondContact O-CD 3.46Å |
| 82 | S | 83.1 | Confident | 81.5 | Confident | 25 Ų | 25 | 104.7 Ų | 104.7 | 18% | 0.175 | 58% | 0.577 | C | S | . | * | | | trans | -75.6 | 124.9 | -178.8 | 80.4 | 0 | 0 | 0 | 0 | 111.3 | E79 L84 Y85 A86 | E79-S82 PolarHBondContact O-N 2.79Å; E79-S82 PolarHBondContact O-OG 3.32Å; S82-L84 PolarHBondContact O-N 2.82Å; S82-L84 VanDerWaalsContact O-N 3.16Å; S82-Y85 PolarHBondContact O-N 3.49Å; S82-Y85 VanDerWaalsContact O-N 3.16Å; S82-Y85 WeakPolarHBondContact OG-CB 3.49Å; S82-Y85 PolarHBondContact OG-N 3.16Å; S82-A86 PolarHBondContact O-N 3.45Å |
| 83 | P | 87.4 | Confident | 81.9 | Confident | 108 Ų | 108 | 103.8 Ų | 103.8 | 70% | 0.701 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58.1 | -32.1 | 178.1 | -26.6 | 34.9 | 0 | 0 | 0 | 112.9 | E81 T87 | E81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-T87 WeakPolarHBondContact O-CB 3.42Å; P83-T87 PolarHBondContact O-N 3.48Å; P83-T87 PolarHBondContact O-OG1 3.36Å |
| 84 | L | 88.7 | Confident | 82.6 | Confident | 123 Ų | 123 | 104 Ų | 104 | 64% | 0.644 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.3 | -49.4 | 177 | -178.2 | 61.8 | 0 | 0 | 0 | 111.4 | S82 A86 T87 L88 | S82-L84 PolarHBondContact O-N 2.82Å; S82-L84 VanDerWaalsContact O-N 3.16Å; L84-A86 PolarHBondContact O-N 2.94Å; L84-T87 PolarHBondContact O-N 3.35Å; L84-L88 HydrophobicContact CD1-CD1 4.3Å; L84-L88 HydrophobicContact CD1-CG 4.36Å; L84-L88 HydrophobicContact CG-CD1 4.12Å; L84-L88 WeakPolarHBondContact O-CG 3.37Å; L84-L88 PolarHBondContact O-N 2.91Å |
| 85 | Y | 87.3 | Confident | 83 | Confident | 89 Ų | 89 | 98.8 Ų | 98.8 | 35% | 0.349 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.5 | -44.6 | 177 | 179.2 | -92.5 | 0 | 0 | 0 | 111.5 | E79 S82 T87 L88 K89 | E79-Y85 HydrophobicContact CB-CD1 4.33Å; E79-Y85 HydrophobicContact CB-CD2 3.89Å; E79-Y85 HydrophobicContact CB-CE1 4.35Å; E79-Y85 HydrophobicContact CB-CE2 3.88Å; E79-Y85 HydrophobicContact CB-CG 4.1Å; E79-Y85 HydrophobicContact CG-CD2 4.4Å; E79-Y85 HydrophobicContact CG-CE2 4.35Å; E79-Y85 WeakPolarHBondContact O-CB 3.39Å; E79-Y85 WeakPolarHBondContact O-CD1 3.32Å; E79-Y85 VanDerWaalsContact OE2-CE2 3.29Å; E79-Y85 WeakPolarHBondContact OE2-CE2 3.49Å; S82-Y85 PolarHBondContact O-N 3.49Å; S82-Y85 VanDerWaalsContact O-N 3.16Å; S82-Y85 WeakPolarHBondContact OG-CB 3.49Å; S82-Y85 PolarHBondContact OG-N 3.16Å; Y85-T87 PolarHBondContact O-N 3.09Å; Y85-L88 PolarHBondContact O-N 3.26Å; Y85-K89 HydrophobicContact CE1-CB 4.46Å; Y85-K89 VanDerWaalsContact O-CB 3.26Å; Y85-K89 WeakPolarHBondContact O-CB 3.43Å; Y85-K89 PolarHBondContact O-N 3.23Å |
| 86 | A | 88.8 | Confident | 83.7 | Confident | 41 Ų | 41 | 96.6 Ų | 96.6 | 34% | 0.339 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.5 | -39 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S82 L84 K90 | S82-A86 PolarHBondContact O-N 3.45Å; L84-A86 PolarHBondContact O-N 2.94Å; A86-K90 WeakPolarHBondContact O-CG 3.49Å; A86-K90 PolarHBondContact O-N 2.87Å; A86-K90 VanDerWaalsContact O-N 3.09Å |
| 87 | T | 91.7 | Very high | 84.4 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.6 | -49.4 | 176.8 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | P83 L84 Y85 K89 K90 V91 | P83-T87 WeakPolarHBondContact O-CB 3.42Å; P83-T87 PolarHBondContact O-N 3.48Å; P83-T87 PolarHBondContact O-OG1 3.36Å; L84-T87 PolarHBondContact O-N 3.35Å; Y85-T87 PolarHBondContact O-N 3.09Å; T87-K89 VanDerWaalsContact C-N 3.27Å; T87-K89 PolarHBondContact O-N 2.92Å; T87-K90 PolarHBondContact O-N 3.22Å; T87-V91 WeakPolarHBondContact O-CG2 3.29Å; T87-V91 PolarHBondContact O-N 3.02Å |
| 88 | L | 90.6 | Very high | 85 | Confident | 97 Ų | 97 | 101.4 Ų | 101.4 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 177.6 | -70.1 | 174 | 0 | 0 | 0 | 111.4 | L84 Y85 V91 L92 | L84-L88 HydrophobicContact CD1-CD1 4.3Å; L84-L88 HydrophobicContact CD1-CG 4.36Å; L84-L88 HydrophobicContact CG-CD1 4.12Å; L84-L88 WeakPolarHBondContact O-CG 3.37Å; L84-L88 PolarHBondContact O-N 2.91Å; Y85-L88 PolarHBondContact O-N 3.26Å; L88-V91 PolarHBondContact O-N 3.48Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 3.03Å |
| 89 | K | 90 | Very high | 85.4 | Confident | 89 Ų | 89 | 101.3 Ų | 101.3 | 39% | 0.387 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 176.5 | -176.8 | 51.2 | 174.4 | -80.1 | 0 | 111.7 | Y85 T87 V91 L92 D93 | Y85-K89 HydrophobicContact CE1-CB 4.46Å; Y85-K89 VanDerWaalsContact O-CB 3.26Å; Y85-K89 WeakPolarHBondContact O-CB 3.43Å; Y85-K89 PolarHBondContact O-N 3.23Å; T87-K89 VanDerWaalsContact C-N 3.27Å; T87-K89 PolarHBondContact O-N 2.92Å; K89-V91 VanDerWaalsContact C-N 3.3Å; K89-V91 PolarHBondContact O-N 3.19Å; K89-L92 PolarHBondContact O-N 3.17Å; K89-D93 WeakPolarHBondContact CE-OD1 3.34Å; K89-D93 WeakPolarHBondContact O-CB 3.29Å; K89-D93 VanDerWaalsContact O-CG 3.22Å; K89-D93 PolarHBondContact O-N 3.44Å |
| 90 | K | 92.4 | Very high | 85.7 | Confident | 149 Ų | 149 | 100.3 Ų | 100.3 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.2 | -41.4 | 174.7 | -74.9 | 174.1 | -179.8 | 177.7 | 0 | 112.4 | A86 T87 D93 V94 | A86-K90 WeakPolarHBondContact O-CG 3.49Å; A86-K90 PolarHBondContact O-N 2.87Å; A86-K90 VanDerWaalsContact O-N 3.09Å; T87-K90 PolarHBondContact O-N 3.22Å; K90-D93 PolarHBondContact O-N 3.16Å; K90-V94 VanDerWaalsContact O-CG2 3.3Å; K90-V94 WeakPolarHBondContact O-CG2 3.3Å; K90-V94 PolarHBondContact O-N 3.46Å |
| 91 | V | 91.9 | Very high | 86.1 | Confident | 79 Ų | 79 | 103.2 Ų | 103.2 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -48 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | T87 L88 K89 D93 V94 L95 | T87-V91 WeakPolarHBondContact O-CG2 3.29Å; T87-V91 PolarHBondContact O-N 3.02Å; L88-V91 PolarHBondContact O-N 3.48Å; K89-V91 VanDerWaalsContact C-N 3.3Å; K89-V91 PolarHBondContact O-N 3.19Å; V91-D93 VanDerWaalsContact C-N 3.3Å; V91-D93 PolarHBondContact O-N 3.16Å; V91-V94 PolarHBondContact O-N 3.27Å; V91-V94 VanDerWaalsContact O-N 3.16Å; V91-L95 HydrophobicContact CG1-CD1 4.27Å; V91-L95 WeakPolarHBondContact O-CG 2.94Å; V91-L95 PolarHBondContact O-N 3.44Å; V91-L95 VanDerWaalsContact O-N 3.17Å |
| 92 | L | 89.6 | Confident | 85.7 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 45% | 0.445 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 178.2 | -69.2 | 172.4 | 0 | 0 | 0 | 112.9 | L88 K89 V94 L95 L100 | L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 3.03Å; K89-L92 PolarHBondContact O-N 3.17Å; L92-V94 VanDerWaalsContact C-N 3.29Å; L92-V94 PolarHBondContact O-N 3.36Å; L92-L95 HydrophobicContact CD2-CD1 4.46Å; L92-L95 PolarHBondContact O-N 2.88Å; L92-L100 HydrophobicContact CD2-CD2 3.56Å |
| 93 | D | 89.3 | Confident | 85 | Confident | 116 Ų | 116 | 109.3 Ų | 109.3 | 62% | 0.62 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.1 | -24.8 | 178 | -69.7 | -22.6 | 0 | 0 | 0 | 112.7 | K89 K90 V91 | K89-D93 WeakPolarHBondContact CE-OD1 3.34Å; K89-D93 WeakPolarHBondContact O-CB 3.29Å; K89-D93 VanDerWaalsContact O-CG 3.22Å; K89-D93 PolarHBondContact O-N 3.44Å; K90-D93 PolarHBondContact O-N 3.16Å; V91-D93 VanDerWaalsContact C-N 3.3Å; V91-D93 PolarHBondContact O-N 3.16Å |
| 94 | V | 92.9 | Very high | 83.7 | Confident | 126 Ų | 126 | 112.7 Ų | 112.7 | 76% | 0.764 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -88 | -23.6 | 178.1 | 175.6 | 0 | 0 | 0 | 0 | 112 | K90 V91 L92 | K90-V94 VanDerWaalsContact O-CG2 3.3Å; K90-V94 WeakPolarHBondContact O-CG2 3.3Å; K90-V94 PolarHBondContact O-N 3.46Å; V91-V94 PolarHBondContact O-N 3.27Å; V91-V94 VanDerWaalsContact O-N 3.16Å; L92-V94 VanDerWaalsContact C-N 3.29Å; L92-V94 PolarHBondContact O-N 3.36Å |
| 95 | L | 87.7 | Confident | 82.2 | Confident | 75 Ų | 75 | 110.6 Ų | 110.6 | 39% | 0.393 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -71 | 139.7 | -179.3 | -71.4 | 174.4 | 0 | 0 | 0 | 111.7 | V91 L92 K97 L100 | V91-L95 HydrophobicContact CG1-CD1 4.27Å; V91-L95 WeakPolarHBondContact O-CG 2.94Å; V91-L95 PolarHBondContact O-N 3.44Å; V91-L95 VanDerWaalsContact O-N 3.17Å; L92-L95 HydrophobicContact CD2-CD1 4.46Å; L92-L95 PolarHBondContact O-N 2.88Å; L95-K97 PolarHBondContact O-N 3.2Å; L95-L100 HydrophobicContact CB-CD2 4.3Å; L95-L100 HydrophobicContact CD1-CD2 4.2Å |
| 96 | P | 88.6 | Confident | 80.8 | Confident | 78 Ų | 78 | 114.9 Ų | 114.9 | 51% | 0.506 | 58% | 0.583 | S | S | . | * | | | trans | -54.7 | 141.6 | 170.1 | -22.2 | 31.9 | 0 | 0 | 0 | 110.7 | E98 S99 L100 | P96-E98 PolarHBondContact O-N 2.9Å; P96-E98 VanDerWaalsContact O-N 3.09Å; P96-S99 WeakPolarHBondContact O-CA 3.26Å; P96-S99 WeakPolarHBondContact O-CB 3.1Å; P96-S99 PolarHBondContact O-N 3.26Å; P96-L100 PolarHBondContact O-N 3.35Å |
| 97 | K | 82.7 | Confident | 79.5 | Confident | 186 Ų | 186 | 122.2 Ų | 122.2 | 81% | 0.809 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -56 | -31 | 177.7 | -66.9 | -178.5 | -179.3 | 177.7 | 0 | 112.6 | L95 S99 L100 | L95-K97 PolarHBondContact O-N 3.2Å; K97-S99 VanDerWaalsContact C-N 3.3Å; K97-S99 PolarHBondContact O-N 2.78Å; K97-L100 WeakPolarHBondContact O-CB 3.16Å; K97-L100 PolarHBondContact O-N 3.49Å; K97-L100 VanDerWaalsContact O-N 3.16Å |
| 98 | E | 79.5 | Confident | 77.7 | Confident | 158 Ų | 158 | 124.7 Ų | 124.7 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -65.6 | -31.5 | 175.8 | -59.3 | -179.1 | -169.8 | 0 | 0 | 112.4 | P96 L100 E101 | P96-E98 PolarHBondContact O-N 2.9Å; P96-E98 VanDerWaalsContact O-N 3.09Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 2.77Å; E98-E101 WeakPolarHBondContact O-CB 3.21Å; E98-E101 PolarHBondContact O-N 3.37Å |
| 99 | S | 78.5 | Confident | 76.3 | Confident | 77 Ų | 77 | 125.4 Ų | 125.4 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -73.3 | -19.6 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | P96 K97 E101 | P96-S99 WeakPolarHBondContact O-CA 3.26Å; P96-S99 WeakPolarHBondContact O-CB 3.1Å; P96-S99 PolarHBondContact O-N 3.26Å; K97-S99 VanDerWaalsContact C-N 3.3Å; K97-S99 PolarHBondContact O-N 2.78Å; S99-E101 VanDerWaalsContact C-N 3.32Å |
| 100 | L | 73.1 | Confident | 74.8 | Confident | 85 Ų | 85 | 125.2 Ų | 125.2 | 45% | 0.445 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -87.1 | -2.3 | 176 | -57.7 | -178 | 0 | 0 | 0 | 112.8 | L92 L95 P96 K97 E98 C102 | L92-L100 HydrophobicContact CD2-CD2 3.56Å; L95-L100 HydrophobicContact CB-CD2 4.3Å; L95-L100 HydrophobicContact CD1-CD2 4.2Å; P96-L100 PolarHBondContact O-N 3.35Å; K97-L100 WeakPolarHBondContact O-CB 3.16Å; K97-L100 PolarHBondContact O-N 3.49Å; K97-L100 VanDerWaalsContact O-N 3.16Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 2.77Å; L100-C102 VanDerWaalsContact C-N 3.3Å; L100-C102 PolarHBondContact O-N 3.05Å |
| 101 | E | 78.4 | Confident | 73.2 | Confident | 144 Ų | 144 | 121 Ų | 121 | 67% | 0.673 | 66% | 0.662 | S | S | * | * | | | trans | -63.6 | 96.3 | 172.7 | -70.7 | -171.4 | 178.6 | 0 | 0 | 109.3 | E98 S99 R103 | E98-E101 WeakPolarHBondContact O-CB 3.21Å; E98-E101 PolarHBondContact O-N 3.37Å; S99-E101 VanDerWaalsContact C-N 3.32Å; E101-R103 VanDerWaalsContact C-N 3.31Å; E101-R103 PolarHBondContact O-N 3.29Å |
| 102 | C | 67.7 | Low | 71.7 | Confident | 99 Ų | 99 | 123.7 Ų | 123.7 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | | | trans | -61.4 | 101.4 | 162.6 | -176.3 | 0 | 0 | 0 | 0 | 105.9 | L100 Q104 | L100-C102 VanDerWaalsContact C-N 3.3Å; L100-C102 PolarHBondContact O-N 3.05Å; C102-Q104 VanDerWaalsContact C-N 3.25Å; C102-Q104 PolarHBondContact O-N 3.09Å |
| 103 | R | 67.8 | Low | 70.3 | Confident | 209 Ų | 209 | 123 Ų | 123 | 79% | 0.789 | 68% | 0.675 | S | S | * | * | | | trans | -57.3 | 102.5 | 163.5 | -71.4 | -173.7 | 175.9 | -179.9 | 0.9 | 105 | E101 Q105 | E101-R103 VanDerWaalsContact C-N 3.31Å; E101-R103 PolarHBondContact O-N 3.29Å; R103-Q105 VanDerWaalsContact C-N 3.32Å; R103-Q105 PolarHBondContact O-N 3.16Å |
| 104 | Q | 59.6 | Low | 68.8 | Low | 180 Ų | 180 | 126.1 Ų | 126.1 | 84% | 0.841 | 68% | 0.679 | S | S | * | * | | | trans | -51.1 | 110.2 | 164.3 | -85.4 | -176 | 7.9 | 0 | 0 | 104.8 | C102 K106 | C102-Q104 VanDerWaalsContact C-N 3.25Å; C102-Q104 PolarHBondContact O-N 3.09Å; Q104-K106 PolarHBondContact O-N 3.04Å |
| 105 | Q | 57.5 | Low | 67 | Low | 78 Ų | 78 | 125.1 Ų | 125.1 | 36% | 0.364 | 67% | 0.673 | S | S | . | * | | | trans | -57.8 | 120 | 167.7 | -96.7 | -168.8 | -16.1 | 0 | 0 | 105.5 | R103 Q107 G111 I112 S113 | R103-Q105 VanDerWaalsContact C-N 3.32Å; R103-Q105 PolarHBondContact O-N 3.16Å; Q105-Q107 PolarHBondContact O-N 3.3Å; Q105-G111 PolarHBondContact OE1-O 3.35Å; Q105-I112 VanDerWaalsContact OE1-CA 3.3Å; Q105-S113 PolarHBondContact NE2-O 3.12Å; Q105-S113 PolarHBondContact NE2-OG 3.33Å; Q105-S113 PolarHBondContact OE1-O 3.47Å |
| 106 | K | 59.5 | Low | 65.5 | Low | 179 Ų | 179 | 129.1 Ų | 129.1 | 78% | 0.778 | 69% | 0.693 | S | S | * | * | | | trans | -46.5 | 124.9 | 162.9 | -77.2 | -164.4 | 173.9 | -172.3 | 0 | 105.3 | Q104 N108 | Q104-K106 PolarHBondContact O-N 3.04Å; K106-N108 PolarHBondContact O-N 3.08Å |
| 107 | Q | 60 | Low | 63.7 | Low | 196 Ų | 196 | 136.8 Ų | 136.8 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | | | trans | -60.3 | 76.4 | 173.3 | -67.7 | 177.5 | -25.8 | 0 | 0 | 108.2 | Q105 A109 | Q105-Q107 PolarHBondContact O-N 3.3Å; Q107-A109 PolarHBondContact O-N 3.45Å |
| 108 | N | 55.1 | Low | 62.8 | Low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | | | trans | -75.9 | 108.9 | 159.5 | -66.7 | -21.2 | 0 | 0 | 0 | 102.6 | K106 G110 | K106-N108 PolarHBondContact O-N 3.08Å; N108-G110 PolarHBondContact O-N 3.36Å |
| 109 | A | 60.7 | Low | 61.9 | Low | 113 Ų | 113 | 133.1 Ų | 133.1 | 93% | 0.934 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.9 | 103.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q107 | Q107-A109 PolarHBondContact O-N 3.45Š|
| 110 | G | 59 | Low | 61 | Low | 85 Ų | 85 | 136.2 Ų | 136.2 | 88% | 0.876 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.7 | -17.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | N108 | N108-G110 PolarHBondContact O-N 3.36Š|
| 111 | G | 58.2 | Low | 60.3 | Low | 60 Ų | 60 | 139.2 Ų | 139.2 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | | | trans | 163 | 152.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q105 | Q105-G111 PolarHBondContact OE1-O 3.35Š|
| 112 | I | 61.3 | Low | 59.2 | Low | 135 Ų | 135 | 138.9 Ų | 138.9 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | | | trans | -95.7 | 117.2 | 172 | -55.9 | 168.1 | 0 | 0 | 0 | 106.6 | Q105 Y114 | Q105-I112 VanDerWaalsContact OE1-CA 3.3Å; I112-Y114 HydrophobicContact CG2-CD2 4.44Å; I112-Y114 HydrophobicContact CG2-CE2 3.81Å |
| 113 | S | 59 | Low | 58.6 | Low | 71 Ų | 71 | 141.5 Ų | 141.5 | 50% | 0.497 | 75% | 0.749 | S | S | . | * | | | trans | -116.6 | 135.3 | 167 | 72.2 | 0 | 0 | 0 | 0 | 110.9 | Q105 | Q105-S113 PolarHBondContact NE2-O 3.12Å; Q105-S113 PolarHBondContact NE2-OG 3.33Å; Q105-S113 PolarHBondContact OE1-O 3.47Å |
| 114 | Y | 59 | Low | 57.9 | Low | 181 Ų | 181 | 136.7 Ų | 136.7 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | | | trans | -95.1 | 128.8 | 176.4 | -62.4 | -89.2 | 0 | 0 | 0 | 108.2 | I112 | I112-Y114 HydrophobicContact CG2-CD2 4.44Å; I112-Y114 HydrophobicContact CG2-CE2 3.81Å |
| 115 | V | 54.9 | Low | 57.8 | Low | 106 Ų | 106 | 133.4 Ų | 133.4 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | | | trans | -103 | 115.8 | 171 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | F117 | V115-F117 HydrophobicContact CG1-CD2 4.35Å; V115-F117 HydrophobicContact CG1-CE1 4.49Å; V115-F117 HydrophobicContact CG1-CE2 3.85Å; V115-F117 HydrophobicContact CG1-CZ 3.94Å |
| 116 | I | 54.7 | Low | 57.8 | Low | 158 Ų | 158 | 138 Ų | 138 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -101.8 | 127.9 | 173.7 | -53.4 | 175.9 | 0 | 0 | 0 | 106.6 | | |
| 117 | F | 52.4 | Low | 57.7 | Low | 239 Ų | 239 | 134.3 Ų | 134.3 | 100% | 1.048 | 77% | 0.769 | S | S | * | * | | | trans | -99.2 | 0 | 171.5 | -69.5 | -81.3 | 0 | 0 | 0 | 110 | V115 | V115-F117 HydrophobicContact CG1-CD2 4.35Å; V115-F117 HydrophobicContact CG1-CE1 4.49Å; V115-F117 HydrophobicContact CG1-CE2 3.85Å; V115-F117 HydrophobicContact CG1-CZ 3.94Å |