| 1 | M | 44.3 | Very low | 58.7 | Low | 238 Ų | 238 | 158.2 Ų | 158.2 | 100% | 1.172 | 81% | 0.809 | S | S | * | * | | | | 0 | 94.9 | 0 | -56.1 | -53.8 | -126.4 | 0 | 0 | 107.5 | | |
| 2 | S | 49.5 | Very low | 59 | Low | 104 Ų | 104 | 155.1 Ų | 155.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -110.6 | 110.3 | 176.7 | -62 | 0 | 0 | 0 | 0 | 107.8 | E4 | S2-E4 PolarHBondContact O-N 3.18Š|
| 3 | L | 58.3 | Low | 59.2 | Low | 158 Ų | 158 | 155.1 Ų | 155.1 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | | | trans | -82.1 | 87 | 173.1 | -82.9 | 159.9 | 0 | 0 | 0 | 107.9 | Q5 | L3-Q5 PolarHBondContact O-N 2.85Š|
| 4 | E | 63.1 | Low | 59.3 | Low | 176 Ų | 176 | 156.4 Ų | 156.4 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -76.6 | 79.7 | 165.2 | -83.1 | 149.1 | 88.6 | 0 | 0 | 108.8 | S2 R6 | S2-E4 PolarHBondContact O-N 3.18Å; E4-R6 PolarHBondContact O-N 3.22Å |
| 5 | Q | 63.7 | Low | 59.1 | Low | 179 Ų | 179 | 154.5 Ų | 154.5 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -78.9 | 98 | 165 | -67.7 | -138.5 | -40.5 | 0 | 0 | 108.9 | L3 | L3-Q5 PolarHBondContact O-N 2.85Š|
| 6 | R | 63.9 | Low | 59.2 | Low | 232 Ų | 232 | 154.8 Ų | 154.8 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | | | trans | -123.3 | 103.4 | 163.1 | -170.5 | 176.5 | -173.2 | -142.1 | -0.5 | 109.2 | E4 | E4-R6 PolarHBondContact O-N 3.22Š|
| 7 | S | 70.7 | Confident | 59.1 | Low | 117 Ų | 117 | 156.5 Ų | 156.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -137 | 124.8 | 152.6 | -150.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 8 | P | 61.1 | Low | 59.3 | Low | 96 Ų | 96 | 153.2 Ų | 153.2 | 62% | 0.623 | 81% | 0.806 | S | S | * | * | | | | -138.9 | 123.8 | 130 | 28 | -10.5 | 0 | 0 | 0 | 112.9 | | |
| 9 | H | 55.8 | Low | 59.3 | Low | 164 Ų | 164 | 153.7 Ų | 153.7 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | | | | 57.5 | 124.7 | 128.8 | -68.5 | -58.1 | 0 | 0 | 0 | 122.3 | | |
| 10 | C | 49.7 | Very low | 59.4 | Low | 97 Ų | 97 | 149.6 Ų | 149.6 | 66% | 0.655 | 80% | 0.8 | S | S | * | * | | | | 67 | 129.9 | 129.9 | -66.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 11 | K | 65.1 | Low | 59.2 | Low | 179 Ų | 179 | 150.1 Ų | 150.1 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | | | cis | -152.9 | 156.2 | 24.3 | -55.3 | -81.8 | -177.9 | 167.2 | 0 | 108.9 | | |
| 12 | P | 62.3 | Low | 59.9 | Low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | -74.7 | 133.5 | 153.7 | 30.8 | -29.2 | 0 | 0 | 0 | 109.4 | | |
| 13 | D | 62.2 | Low | 60.2 | Low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | -71.5 | 131.6 | 171 | -166.5 | -123.3 | 0 | 0 | 0 | 108.5 | | |
| 14 | E | 60.4 | Low | 60.1 | Low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | | | trans | -113.1 | 99.3 | -174.7 | -164.1 | 165.3 | 103.5 | 0 | 0 | 105.9 | | |
| 15 | D | 56.4 | Low | 60 | Low | 129 Ų | 129 | 143.6 Ų | 143.6 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | | | trans | -136 | 90 | 166.1 | -117.2 | -57.9 | 0 | 0 | 0 | 109.1 | E17 | D15-E17 PolarHBondContact O-N 3.28Š|
| 16 | L | 61.3 | Low | 59.7 | Low | 158 Ų | 158 | 144 Ų | 144 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -71.2 | 97.6 | 163.8 | -75.8 | 165.9 | 0 | 0 | 0 | 107.3 | A18 | L16-A18 PolarHBondContact O-N 2.99Š|
| 17 | E | 56.7 | Low | 59.3 | Low | 184 Ų | 184 | 136 Ų | 136 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -70.8 | 87.1 | 167.6 | -60.6 | -149 | 101.1 | 0 | 0 | 109.2 | D15 Q19 | D15-E17 PolarHBondContact O-N 3.28Å; E17-Q19 PolarHBondContact O-N 3.01Å |
| 18 | A | 62.9 | Low | 58.7 | Low | 98 Ų | 98 | 135.8 Ų | 135.8 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -71.2 | 82.4 | 164 | 0 | 0 | 0 | 0 | 0 | 108.7 | L16 G20 | L16-A18 PolarHBondContact O-N 2.99Å; A18-G20 PolarHBondContact O-N 3.25Å |
| 19 | Q | 59.7 | Low | 58.5 | Low | 162 Ų | 162 | 140.5 Ų | 140.5 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | -80.3 | 96.5 | 168 | -168.3 | 173.8 | 19.7 | 0 | 0 | 108.9 | E17 | E17-Q19 PolarHBondContact O-N 3.01Š|
| 20 | G | 60.5 | Low | 58.6 | Low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -72.5 | 133.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A18 | A18-G20 PolarHBondContact O-N 3.25Š|
| 21 | E | 56.7 | Low | 58.7 | Low | 161 Ų | 161 | 141.4 Ų | 141.4 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -160.5 | 98 | 151.9 | 47.7 | -177.2 | -163.6 | 0 | 0 | 105.2 | | |
| 22 | D | 58 | Low | 57.9 | Low | 138 Ų | 138 | 139.1 Ų | 139.1 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | | | | 64 | 114.1 | 68.5 | -158.5 | 40.4 | 0 | 0 | 0 | 114.6 | | |
| 23 | L | 56.2 | Low | 57.1 | Low | 152 Ų | 152 | 136.2 Ų | 136.2 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | trans | 56.7 | 104 | 150.9 | -74.4 | 161.7 | 0 | 0 | 0 | 119.8 | | |
| 24 | G | 56.2 | Low | 56.5 | Low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -164.3 | 47 | 160.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M26 | G24-M26 PolarHBondContact O-N 3Š|
| 25 | L | 61.1 | Low | 56 | Low | 180 Ų | 180 | 139 Ų | 139 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | | | trans | -64.9 | 87.2 | 166.9 | -78.9 | 170.3 | 0 | 0 | 0 | 109 | G27 | L25-G27 PolarHBondContact O-N 3.16Š|
| 26 | M | 56.3 | Low | 55.9 | Low | 186 Ų | 186 | 141.2 Ų | 141.2 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | | | trans | -80.5 | 101.2 | 176.7 | -149.5 | 86.9 | 92.7 | 0 | 0 | 108.9 | G24 | G24-M26 PolarHBondContact O-N 3Š|
| 27 | G | 56.4 | Low | 55.2 | Low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | | | trans | 58 | 102.9 | 143.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | L25 Q29 | L25-G27 PolarHBondContact O-N 3.16Å; G27-Q29 PolarHBondContact O-N 3.23Å |
| 28 | A | 58.2 | Low | 54.8 | Low | 112 Ų | 112 | 140 Ų | 140 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | | | trans | -54.7 | 126.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 29 | Q | 57.5 | Low | 54.2 | Low | 196 Ų | 196 | 141.2 Ų | 141.2 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | trans | -113.5 | 121.2 | 162.6 | -154.5 | 179.6 | -90.7 | 0 | 0 | 108.7 | G27 | G27-Q29 PolarHBondContact O-N 3.23Š|
| 30 | E | 56.1 | Low | 53.4 | Low | 153 Ų | 153 | 138.8 Ų | 138.8 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | | | trans | -56.7 | 145.2 | -178.4 | -175.2 | -171.5 | 132.5 | 0 | 0 | 113.5 | T32 | E30-T32 PolarHBondContact O-N 3.22Š|
| 31 | P | 52.5 | Low | 52.7 | Low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -76.5 | 108.7 | 167 | 29.6 | -28.6 | 0 | 0 | 0 | 110 | | |
| 32 | T | 47.6 | Very low | 52.4 | Low | 131 Ų | 131 | 137.8 Ų | 137.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -90.6 | 123.8 | 160.4 | -68.9 | 0 | 0 | 0 | 0 | 108.2 | E30 | E30-T32 PolarHBondContact O-N 3.22Š|
| 33 | G | 46.5 | Very low | 52.1 | Low | 59 Ų | 59 | 138.6 Ų | 138.6 | 61% | 0.608 | 81% | 0.808 | S | S | * | * | | | trans | 147.2 | 95.6 | 145.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 34 | E | 48.6 | Very low | 51.7 | Low | 187 Ų | 187 | 136.8 Ų | 136.8 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | 73.4 | 102.6 | 130.9 | -26.4 | -164.8 | 120.5 | 0 | 0 | 118.1 | E36 | E34-E36 PolarHBondContact O-N 2.83Š|
| 35 | E | 50.9 | Low | 51.3 | Low | 200 Ų | 200 | 142.6 Ų | 142.6 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | | | trans | -68.1 | 109.3 | 162.1 | -51.7 | 175.1 | 124.2 | 0 | 0 | 108.5 | | |
| 36 | E | 54 | Low | 50.7 | Low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -103.6 | 96.5 | 163.6 | -69.1 | -151 | 110.9 | 0 | 0 | 109.8 | E34 T38 | E34-E36 PolarHBondContact O-N 2.83Å; E36-T38 PolarHBondContact O-N 2.89Å |
| 37 | E | 47.1 | Very low | 50.3 | Low | 191 Ų | 191 | 142.7 Ų | 142.7 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | trans | -67.1 | 110.3 | 162.9 | -152 | -178.5 | 120.1 | 0 | 0 | 107.9 | | |
| 38 | T | 47.4 | Very low | 49.6 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 77% | 0.767 | 81% | 0.81 | S | S | * | * | | | trans | -122.1 | 127.8 | 164.3 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | E36 | E36-T38 PolarHBondContact O-N 2.89Š|
| 39 | T | 50.4 | Low | 49.4 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | | | trans | -66.2 | 157.1 | -173.7 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 40 | S | 43.5 | Very low | 48.7 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 88.5 | 109.4 | 143.4 | -159.6 | 0 | 0 | 0 | 0 | 117 | | |
| 41 | S | 45.5 | Very low | 48.4 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | | 179.3 | 126.6 | 85.1 | -161 | 0 | 0 | 0 | 0 | 109.4 | | |
| 42 | S | 49.4 | Very low | 48.4 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -87.9 | 115.9 | 163 | -64.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 43 | D | 51.9 | Low | 48.3 | Very low | 154 Ų | 154 | 136 Ų | 136 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -129.7 | 106.1 | 153.9 | -97.8 | -65.1 | 0 | 0 | 0 | 108.1 | | |
| 44 | S | 48.3 | Very low | 48.6 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | -81.2 | 131.6 | 169.5 | -43.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 45 | K | 48.9 | Very low | 48.7 | Very low | 193 Ų | 193 | 135 Ų | 135 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | 151.7 | 106.8 | 137.8 | -176.2 | 178.1 | -164.6 | -179.7 | 0 | 110.6 | | |
| 46 | E | 47.6 | Very low | 49.5 | Very low | 182 Ų | 182 | 129.3 Ų | 129.3 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | | -173.8 | 119.8 | 110.3 | 50.5 | -153.6 | 157.3 | 0 | 0 | 110.9 | E48 | E46-E48 PolarHBondContact O-N 2.72Š|
| 47 | E | 47 | Very low | 50 | Low | 185 Ų | 185 | 125.9 Ų | 125.9 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -69.4 | 105.9 | 162.4 | 178.9 | -177.1 | 115.4 | 0 | 0 | 107.1 | V49 | E47-V49 HydrophobicContact CG-CG2 4.36Š|
| 48 | E | 41.8 | Very low | 50.5 | Low | 158 Ų | 158 | 122.4 Ų | 122.4 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | trans | -113.7 | 95.6 | 157.8 | -164.2 | -174.2 | 100.9 | 0 | 0 | 108.4 | E46 S50 | E46-E48 PolarHBondContact O-N 2.72Å; E48-S50 VanDerWaalsContact C-N 3.25Å; E48-S50 PolarHBondContact O-N 3.07Å; E48-S50 PolarHBondContact OE1-OG 3.33Å |
| 49 | V | 54.8 | Low | 51.2 | Low | 129 Ų | 129 | 125.4 Ų | 125.4 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | trans | -66.6 | 90.5 | 158.9 | 168.7 | 0 | 0 | 0 | 0 | 107.2 | E47 | E47-V49 HydrophobicContact CG-CG2 4.36Š|
| 50 | S | 43.2 | Very low | 51.7 | Low | 89 Ų | 89 | 123.7 Ų | 123.7 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | | | trans | -103 | 108.9 | 162.5 | -85 | 0 | 0 | 0 | 0 | 108.6 | E48 | E48-S50 VanDerWaalsContact C-N 3.25Å; E48-S50 PolarHBondContact O-N 3.07Å; E48-S50 PolarHBondContact OE1-OG 3.33Å |
| 51 | A | 50.1 | Low | 52.3 | Low | 89 Ų | 89 | 124.6 Ų | 124.6 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | -61 | 154.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 52 | A | 52.4 | Low | 53 | Low | 110 Ų | 110 | 129.1 Ų | 129.1 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | trans | 65.1 | 80.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 53 | G | 44.3 | Very low | 53.3 | Low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | -157.7 | 81.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | S55 | G53-S55 PolarHBondContact O-N 3.29Š|
| 54 | S | 54.5 | Low | 53.3 | Low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -54.7 | 97 | 161.4 | 169.5 | 0 | 0 | 0 | 0 | 106.5 | S56 | S54-S56 PolarHBondContact O-N 2.9Š|
| 55 | S | 50.1 | Low | 53.5 | Low | 115 Ų | 115 | 120.5 Ų | 120.5 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | -67.7 | 88.3 | 164.7 | -177.7 | 0 | 0 | 0 | 0 | 104.7 | G53 | G53-S55 PolarHBondContact O-N 3.29Š|
| 56 | S | 66.6 | Low | 53.7 | Low | 79 Ų | 79 | 115.5 Ų | 115.5 | 55% | 0.552 | 74% | 0.742 | S | S | * | * | | | trans | -49.2 | 135.6 | 165.1 | -61.5 | 0 | 0 | 0 | 0 | 106.5 | S54 | S54-S56 PolarHBondContact O-N 2.9Š|
| 57 | P | 66 | Low | 54.2 | Low | 103 Ų | 103 | 110.9 Ų | 110.9 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | | | trans | -50.4 | 144.1 | 171.5 | 23.6 | -32.7 | 0 | 0 | 0 | 107.5 | Q59 | P57-Q59 PolarHBondContact O-N 3.09Š|
| 58 | P | 57.3 | Low | 54.7 | Low | 118 Ų | 118 | 105.2 Ų | 105.2 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | | | trans | -50.1 | 113.4 | 174.5 | 22.4 | -31.8 | 0 | 0 | 0 | 105.5 | S60 | P58-S60 PolarHBondContact O-N 3.45Š|
| 59 | Q | 61.7 | Low | 55.6 | Low | 188 Ų | 188 | 103.2 Ų | 103.2 | 88% | 0.879 | 70% | 0.704 | S | S | * | * | | | trans | -61.8 | 104.3 | 172.5 | -72 | -151 | -82.3 | 0 | 0 | 103 | P57 | P57-Q59 PolarHBondContact O-N 3.09Š|
| 60 | S | 61.1 | Low | 56 | Low | 90 Ų | 90 | 99.8 Ų | 99.8 | 63% | 0.629 | 69% | 0.686 | S | S | * | * | | | trans | -43.9 | 144.7 | 167.6 | -52.4 | 0 | 0 | 0 | 0 | 106.4 | P58 Q62 | P58-S60 PolarHBondContact O-N 3.45Å; S60-Q62 PolarHBondContact O-N 2.96Å |
| 61 | P | 56.3 | Low | 57.1 | Low | 129 Ų | 129 | 99.7 Ų | 99.7 | 84% | 0.838 | 68% | 0.681 | S | S | * | * | | | trans | -67.2 | 65.6 | 174.6 | -7.7 | 21 | 0 | 0 | 0 | 110.2 | G63 | P61-G63 PolarHBondContact O-N 3.34Š|
| 62 | Q | 59.5 | Low | 57.8 | Low | 191 Ų | 191 | 99.5 Ų | 99.5 | 89% | 0.893 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 39.9 | 171.6 | -162.9 | 173.1 | -82.9 | 0 | 0 | 109.4 | S60 | S60-Q62 PolarHBondContact O-N 2.96Š|
| 63 | G | 56.2 | Low | 58.5 | Low | 76 Ų | 76 | 102.4 Ų | 102.4 | 78% | 0.784 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.4 | 10.6 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P61 | P61-G63 PolarHBondContact O-N 3.34Š|
| 64 | G | 51.4 | Low | 59.7 | Low | 59 Ų | 59 | 103.1 Ų | 103.1 | 61% | 0.608 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -137.5 | -34 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 65 | A | 52 | Low | 60.3 | Low | 67 Ų | 67 | 100.8 Ų | 100.8 | 55% | 0.554 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -98.9 | -8.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | S67 I69 | A65-S67 VanDerWaalsContact C-N 3.29Å; A65-S67 PolarHBondContact O-N 3.5Å; A65-I69 WeakPolarHBondContact O-CB 3.31Å; A65-I69 WeakPolarHBondContact O-CG2 3.44Å; A65-I69 PolarHBondContact O-N 2.89Å; A65-I69 VanDerWaalsContact O-N 3.08Å |
| 66 | S | 53.4 | Low | 61.2 | Low | 89 Ų | 89 | 102.8 Ų | 102.8 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.5 | -27.6 | -174.3 | -159.7 | 0 | 0 | 0 | 0 | 112.7 | S70 | S66-S70 WeakPolarHBondContact O-CB 3.24Å; S66-S70 PolarHBondContact O-N 2.92Å; S66-S70 PolarHBondContact O-OG 2.92Å |
| 67 | S | 57.4 | Low | 61 | Low | 85 Ų | 85 | 100.7 Ų | 100.7 | 59% | 0.594 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -80.1 | -40.9 | 179.5 | -168.1 | 0 | 0 | 0 | 0 | 112.1 | A65 S70 V71 | A65-S67 VanDerWaalsContact C-N 3.29Å; A65-S67 PolarHBondContact O-N 3.5Å; S67-S70 PolarHBondContact O-OG 2.93Å; S67-V71 WeakPolarHBondContact O-CB 3.41Å; S67-V71 WeakPolarHBondContact O-CG2 3.33Å; S67-V71 PolarHBondContact O-N 2.72Å; S67-V71 VanDerWaalsContact O-N 3.11Å |
| 68 | S | 58.7 | Low | 60.8 | Low | 65 Ų | 65 | 102.7 Ų | 102.7 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.5 | -45.1 | 179.9 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | S70 V71 Y72 | S68-S70 VanDerWaalsContact C-N 3.34Å; S68-S70 PolarHBondContact O-N 2.89Å; S68-V71 PolarHBondContact O-N 3.32Å; S68-V71 VanDerWaalsContact O-N 3.16Å; S68-Y72 WeakPolarHBondContact O-CD2 3.44Å; S68-Y72 PolarHBondContact O-N 3.31Å |
| 69 | I | 60.5 | Low | 60.9 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 60% | 0.6 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.2 | -33.3 | -179.5 | -144.3 | 144.2 | 0 | 0 | 0 | 112.7 | A65 Y72 Y73 | A65-I69 WeakPolarHBondContact O-CB 3.31Å; A65-I69 WeakPolarHBondContact O-CG2 3.44Å; A65-I69 PolarHBondContact O-N 2.89Å; A65-I69 VanDerWaalsContact O-N 3.08Å; I69-Y72 PolarHBondContact O-N 3.45Å; I69-Y73 WeakPolarHBondContact O-CB 3.29Å; I69-Y73 PolarHBondContact O-N 3.47Å |
| 70 | S | 62.4 | Low | 60.7 | Low | 57 Ų | 57 | 102.8 Ų | 102.8 | 40% | 0.399 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.8 | -39.4 | 172.2 | 70 | 0 | 0 | 0 | 0 | 111.7 | S66 S67 S68 Y72 Y73 T74 | S66-S70 WeakPolarHBondContact O-CB 3.24Å; S66-S70 PolarHBondContact O-N 2.92Å; S66-S70 PolarHBondContact O-OG 2.92Å; S67-S70 PolarHBondContact O-OG 2.93Å; S68-S70 VanDerWaalsContact C-N 3.34Å; S68-S70 PolarHBondContact O-N 2.89Å; S70-Y72 VanDerWaalsContact C-N 3.34Å; S70-Y73 PolarHBondContact O-N 3.38Å; S70-T74 WeakPolarHBondContact O-CB 3.09Å; S70-T74 PolarHBondContact O-N 2.54Å; S70-T74 PolarHBondContact O-OG1 3.03Å |
| 71 | V | 66.1 | Low | 60.3 | Low | 87 Ų | 87 | 105.9 Ų | 105.9 | 53% | 0.527 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.6 | -40.3 | 175.2 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | S67 S68 T74 L75 | S67-V71 WeakPolarHBondContact O-CB 3.41Å; S67-V71 WeakPolarHBondContact O-CG2 3.33Å; S67-V71 PolarHBondContact O-N 2.72Å; S67-V71 VanDerWaalsContact O-N 3.11Å; S68-V71 PolarHBondContact O-N 3.32Å; S68-V71 VanDerWaalsContact O-N 3.16Å; V71-T74 PolarHBondContact O-N 3.25Å; V71-L75 VanDerWaalsContact O-CB 3.31Å; V71-L75 WeakPolarHBondContact O-CB 3.41Å; V71-L75 PolarHBondContact O-N 3.41Å |
| 72 | Y | 65.4 | Low | 60.3 | Low | 84 Ų | 84 | 103 Ų | 103 | 33% | 0.329 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.5 | -44.9 | 174.4 | -70 | -60.1 | 0 | 0 | 0 | 112.2 | S68 I69 S70 L75 W76 M103 | S68-Y72 WeakPolarHBondContact O-CD2 3.44Å; S68-Y72 PolarHBondContact O-N 3.31Å; I69-Y72 PolarHBondContact O-N 3.45Å; S70-Y72 VanDerWaalsContact C-N 3.34Å; Y72-L75 PolarHBondContact O-N 3.46Å; Y72-W76 VanDerWaalsContact O-CB 3.29Å; Y72-W76 WeakPolarHBondContact O-CB 3.21Å; Y72-W76 PolarHBondContact O-N 2.93Å; Y72-M103 HydrophobicContact CE1-CB 4.21Å; Y72-M103 HydrophobicContact CE1-CE 3.73Å |
| 73 | Y | 66.6 | Low | 60.1 | Low | 171 Ų | 171 | 99.5 Ų | 99.5 | 67% | 0.671 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.8 | -42.6 | 178.4 | -169.6 | -91.3 | 0 | 0 | 0 | 111.9 | I69 S70 W76 S77 | I69-Y73 WeakPolarHBondContact O-CB 3.29Å; I69-Y73 PolarHBondContact O-N 3.47Å; S70-Y73 PolarHBondContact O-N 3.38Å; Y73-W76 PolarHBondContact O-N 3.08Å; Y73-S77 WeakPolarHBondContact CE1-OG 3.17Å; Y73-S77 VanDerWaalsContact O-CB 3.31Å; Y73-S77 WeakPolarHBondContact O-CB 3.38Å; Y73-S77 PolarHBondContact O-N 3.11Å; Y73-S77 PolarHBondContact O-OG 3.03Å |
| 74 | T | 69.9 | Low | 60 | Low | 85 Ų | 85 | 101.4 Ų | 101.4 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.7 | -44.3 | 175.4 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | S70 V71 S77 Q78 | S70-T74 WeakPolarHBondContact O-CB 3.09Å; S70-T74 PolarHBondContact O-N 2.54Å; S70-T74 PolarHBondContact O-OG1 3.03Å; V71-T74 PolarHBondContact O-N 3.25Å; T74-S77 PolarHBondContact O-N 3.02Å; T74-Q78 WeakPolarHBondContact O-CG 3.12Å; T74-Q78 PolarHBondContact O-N 3.13Å; T74-Q78 VanDerWaalsContact O-N 3.07Å |
| 75 | L | 67.3 | Low | 60.3 | Low | 61 Ų | 61 | 104.4 Ų | 104.4 | 32% | 0.319 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.4 | -35.9 | -179.7 | -170.9 | 63.4 | 0 | 0 | 0 | 112.5 | V71 Y72 V95 L100 | V71-L75 VanDerWaalsContact O-CB 3.31Å; V71-L75 WeakPolarHBondContact O-CB 3.41Å; V71-L75 PolarHBondContact O-N 3.41Å; Y72-L75 PolarHBondContact O-N 3.46Å; L75-V95 HydrophobicContact CD1-CG2 4.36Å; L75-L100 HydrophobicContact CD2-CD1 4.08Å |
| 76 | W | 69.2 | Low | 60.3 | Low | 157 Ų | 157 | 108.2 Ų | 108.2 | 60% | 0.595 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.7 | -44.7 | 173.9 | -173.5 | -87.2 | 0 | 0 | 0 | 111.9 | Y72 Y73 Q78 F79 D80 | Y72-W76 VanDerWaalsContact O-CB 3.29Å; Y72-W76 WeakPolarHBondContact O-CB 3.21Å; Y72-W76 PolarHBondContact O-N 2.93Å; Y73-W76 PolarHBondContact O-N 3.08Å; W76-Q78 PolarHBondContact O-N 2.91Å; W76-F79 WeakPolarHBondContact O-CB 3.35Å; W76-F79 PolarHBondContact O-N 3.16Å; W76-D80 PolarHBondContact O-N 3.03Å; W76-D80 VanDerWaalsContact O-N 3.09Å |
| 77 | S | 61.9 | Low | 60.2 | Low | 35 Ų | 35 | 112.9 Ų | 112.9 | 25% | 0.245 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -63.6 | -31.7 | 178.7 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | Y73 T74 F79 D80 E81 | Y73-S77 WeakPolarHBondContact CE1-OG 3.17Å; Y73-S77 VanDerWaalsContact O-CB 3.31Å; Y73-S77 WeakPolarHBondContact O-CB 3.38Å; Y73-S77 PolarHBondContact O-N 3.11Å; Y73-S77 PolarHBondContact O-OG 3.03Å; T74-S77 PolarHBondContact O-N 3.02Å; S77-F79 PolarHBondContact O-N 3.39Å; S77-D80 PolarHBondContact O-N 2.86Å; S77-E81 VanDerWaalsContact O-CB 3.24Å; S77-E81 WeakPolarHBondContact O-CB 3.44Å; S77-E81 PolarHBondContact O-N 2.77Å |
| 78 | Q | 62 | Low | 60 | Low | 145 Ų | 145 | 115.8 Ų | 115.8 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.2 | -20.3 | 172.7 | -72.5 | -80 | 41.2 | 0 | 0 | 113.6 | T74 W76 | T74-Q78 WeakPolarHBondContact O-CG 3.12Å; T74-Q78 PolarHBondContact O-N 3.13Å; T74-Q78 VanDerWaalsContact O-N 3.07Å; W76-Q78 PolarHBondContact O-N 2.91Å |
| 79 | F | 59.7 | Low | 59.7 | Low | 176 Ų | 176 | 121.9 Ų | 121.9 | 77% | 0.772 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -94.6 | -33.6 | 178.2 | -149.3 | -85.9 | 0 | 0 | 0 | 112.3 | W76 S77 | W76-F79 WeakPolarHBondContact O-CB 3.35Å; W76-F79 PolarHBondContact O-N 3.16Å; S77-F79 PolarHBondContact O-N 3.39Å |
| 80 | D | 57.4 | Low | 59.2 | Low | 133 Ų | 133 | 123.8 Ų | 123.8 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -81.2 | -34.8 | 179.8 | -162.1 | 34.6 | 0 | 0 | 0 | 112.2 | W76 S77 G82 | W76-D80 PolarHBondContact O-N 3.03Å; W76-D80 VanDerWaalsContact O-N 3.09Å; S77-D80 PolarHBondContact O-N 2.86Å; D80-G82 PolarHBondContact O-N 3.38Å |
| 81 | E | 53.2 | Low | 58.4 | Low | 155 Ų | 155 | 126.4 Ų | 126.4 | 72% | 0.724 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -91.2 | 86.7 | 178.9 | -154.9 | 152.2 | 151.4 | 0 | 0 | 110.1 | S77 S83 | S77-E81 VanDerWaalsContact O-CB 3.24Å; S77-E81 WeakPolarHBondContact O-CB 3.44Å; S77-E81 PolarHBondContact O-N 2.77Å; E81-S83 PolarHBondContact O-N 3.2Å; E81-S83 VanDerWaalsContact O-N 3.16Å |
| 82 | G | 55.4 | Low | 57.9 | Low | 67 Ų | 67 | 126.4 Ų | 126.4 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | | | trans | -52.3 | 119.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D80 | D80-G82 PolarHBondContact O-N 3.38Š|
| 83 | S | 57 | Low | 57.5 | Low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 68% | 0.68 | S | S | * | * | | | trans | 52.2 | 85.5 | 159.6 | -66 | 0 | 0 | 0 | 0 | 117 | E81 | E81-S83 PolarHBondContact O-N 3.2Å; E81-S83 VanDerWaalsContact O-N 3.16Å |
| 84 | S | 53.9 | Low | 57.3 | Low | 117 Ų | 117 | 123.8 Ų | 123.8 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | | | trans | -96.8 | 105.3 | 147.9 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | Q86 | S84-Q86 PolarHBondContact O-N 3.08Š|
| 85 | S | 57.9 | Low | 57.1 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | | | trans | -66.2 | 95.9 | 173.2 | -54.7 | 0 | 0 | 0 | 0 | 110 | | |
| 86 | Q | 51.4 | Low | 57.6 | Low | 147 Ų | 147 | 123.1 Ų | 123.1 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | | | trans | -113.9 | 112.3 | 153.9 | -163.1 | 175.3 | -47.2 | 0 | 0 | 107.8 | S84 E88 | S84-Q86 PolarHBondContact O-N 3.08Å; Q86-E88 VanDerWaalsContact C-N 3.26Å; Q86-E88 HydrophobicContact CG-CG 4.37Å; Q86-E88 PolarHBondContact O-N 3.01Å |
| 87 | E | 50.8 | Low | 57.8 | Low | 186 Ų | 186 | 120.6 Ų | 120.6 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | | | trans | -55.6 | 80.7 | 168.1 | 52.9 | -168.5 | 94.5 | 0 | 0 | 111.4 | | |
| 88 | E | 52.8 | Low | 58.7 | Low | 146 Ų | 146 | 121.7 Ų | 121.7 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | | | trans | -127.1 | 132.2 | 159.9 | -59.3 | -73.3 | 146.6 | 0 | 0 | 106 | Q86 E90 | Q86-E88 VanDerWaalsContact C-N 3.26Å; Q86-E88 HydrophobicContact CG-CG 4.37Å; Q86-E88 PolarHBondContact O-N 3.01Å; E88-E90 PolarHBondContact O-N 2.87Å |
| 89 | E | 52.2 | Low | 59.7 | Low | 194 Ų | 194 | 120.5 Ų | 120.5 | 91% | 0.907 | 69% | 0.689 | S | S | * | * | | | trans | -25.7 | 121.4 | 177.5 | -168.3 | 175.1 | 107.1 | 0 | 0 | 113.1 | P91 | E89-P91 WeakPolarHBondContact O-CD 2.85Š|
| 90 | E | 50.2 | Low | 60.7 | Low | 156 Ų | 156 | 114.1 Ų | 114.1 | 73% | 0.729 | 66% | 0.663 | S | S | * | * | | | trans | -28.2 | 129.2 | 176.1 | -129.4 | -175.5 | 110.8 | 0 | 0 | 113.1 | E88 S92 | E88-E90 PolarHBondContact O-N 2.87Å; E90-S92 VanDerWaalsContact CD-OG 3.31Å; E90-S92 WeakPolarHBondContact OE1-CB 3.31Å; E90-S92 PolarHBondContact OE1-OG 2.61Å |
| 91 | P | 46.5 | Very low | 61.9 | Low | 112 Ų | 112 | 112.6 Ų | 112.6 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | | | | -113.2 | 98.9 | 126.2 | 31.4 | -24.7 | 0 | 0 | 0 | 105.4 | E89 S93 | E89-P91 WeakPolarHBondContact O-CD 2.85Å; P91-S93 PolarHBondContact O-N 2.76Å |
| 92 | S | 54.8 | Low | 63.5 | Low | 88 Ų | 88 | 111.3 Ų | 111.3 | 62% | 0.615 | 64% | 0.644 | S | S | * | * | | | trans | -64.6 | 66.8 | 150.3 | -72.2 | 0 | 0 | 0 | 0 | 107.9 | E90 S94 | E90-S92 VanDerWaalsContact CD-OG 3.31Å; E90-S92 WeakPolarHBondContact OE1-CB 3.31Å; E90-S92 PolarHBondContact OE1-OG 2.61Å; S92-S94 PolarHBondContact O-N 2.95Å; S92-S94 VanDerWaalsContact O-N 3.13Å |
| 93 | S | 57.3 | Low | 64.8 | Low | 91 Ų | 91 | 111.7 Ų | 111.7 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | | | trans | -78.4 | 80.8 | 149.2 | -167.6 | 0 | 0 | 0 | 0 | 104 | P91 V95 | P91-S93 PolarHBondContact O-N 2.76Å; S93-V95 PolarHBondContact O-N 3.32Å |
| 94 | S | 61.7 | Low | 66 | Low | 109 Ų | 109 | 111.7 Ų | 111.7 | 76% | 0.762 | 61% | 0.614 | S | S | * | * | | | trans | -60.6 | 89.5 | 158.6 | 64 | 0 | 0 | 0 | 0 | 105.2 | S92 D96 | S92-S94 PolarHBondContact O-N 2.95Å; S92-S94 VanDerWaalsContact O-N 3.13Å; S94-D96 PolarHBondContact O-N 3.36Å |
| 95 | V | 65.8 | Low | 67.5 | Low | 62 Ų | 62 | 110.1 Ų | 110.1 | 38% | 0.376 | 59% | 0.594 | S | S | . | * | | | trans | -60 | 115.8 | 172.2 | 169.6 | 0 | 0 | 0 | 0 | 105.2 | L75 S93 P97 L100 | L75-V95 HydrophobicContact CD1-CG2 4.36Å; S93-V95 PolarHBondContact O-N 3.32Å; V95-P97 WeakPolarHBondContact O-CD 3.39Å; V95-L100 HydrophobicContact CG1-CB 4.46Å |
| 96 | D | 78.6 | Confident | 68.9 | Low | 70 Ų | 70 | 109.8 Ų | 109.8 | 37% | 0.374 | 58% | 0.578 | S | S | . | * | | | trans | -59.4 | 124 | 178.9 | 173.6 | 12.8 | 0 | 0 | 0 | 108 | S94 A98 Q99 L100 | S94-D96 PolarHBondContact O-N 3.36Å; D96-A98 PolarHBondContact O-N 3.38Å; D96-A98 VanDerWaalsContact O-N 3.08Å; D96-A98 WeakPolarHBondContact OD1-CB 3.49Å; D96-A98 PolarHBondContact OD1-N 3.06Å; D96-Q99 HydrophobicContact CB-CB 4.23Å; D96-Q99 HydrophobicContact CB-CG 3.97Å; D96-Q99 WeakPolarHBondContact O-CA 3.49Å; D96-Q99 WeakPolarHBondContact O-CB 3.45Å; D96-Q99 PolarHBondContact O-N 3.37Å; D96-L100 PolarHBondContact O-N 3.26Å |
| 97 | P | 74.2 | Confident | 70.4 | Confident | 103 Ų | 103 | 105 Ų | 105 | 67% | 0.669 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -54.9 | -28.8 | 177.5 | 20.8 | -32.8 | 0 | 0 | 0 | 112.2 | V95 L100 E101 | V95-P97 WeakPolarHBondContact O-CD 3.39Å; P97-L100 PolarHBondContact O-N 3.13Å; P97-E101 WeakPolarHBondContact O-CB 3.48Å; P97-E101 PolarHBondContact O-N 3.49Å |
| 98 | A | 80.5 | Confident | 72 | Confident | 58 Ų | 58 | 99.5 Ų | 99.5 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.3 | -32 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D96 F102 | D96-A98 PolarHBondContact O-N 3.38Å; D96-A98 VanDerWaalsContact O-N 3.08Å; D96-A98 WeakPolarHBondContact OD1-CB 3.49Å; D96-A98 PolarHBondContact OD1-N 3.06Å; A98-F102 WeakPolarHBondContact O-CB 3.34Å; A98-F102 PolarHBondContact O-N 2.97Å |
| 99 | Q | 82.3 | Confident | 73.5 | Confident | 120 Ų | 120 | 99.2 Ų | 99.2 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.7 | -39.1 | 173.8 | -72.9 | -179 | 59.5 | 0 | 0 | 111.2 | D96 F102 M103 | D96-Q99 HydrophobicContact CB-CB 4.23Å; D96-Q99 HydrophobicContact CB-CG 3.97Å; D96-Q99 WeakPolarHBondContact O-CA 3.49Å; D96-Q99 WeakPolarHBondContact O-CB 3.45Å; D96-Q99 PolarHBondContact O-N 3.37Å; Q99-F102 PolarHBondContact O-N 3.49Å; Q99-M103 VanDerWaalsContact O-CG 3.27Å; Q99-M103 WeakPolarHBondContact O-CG 3.41Å; Q99-M103 PolarHBondContact O-N 3.42Å |
| 100 | L | 81 | Confident | 74.8 | Confident | 43 Ų | 43 | 96.5 Ų | 96.5 | 23% | 0.225 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 176.9 | -172 | 63.3 | 0 | 0 | 0 | 111.8 | L75 V95 D96 P97 M103 F104 | L75-L100 HydrophobicContact CD2-CD1 4.08Å; V95-L100 HydrophobicContact CG1-CB 4.46Å; D96-L100 PolarHBondContact O-N 3.26Å; P97-L100 PolarHBondContact O-N 3.13Å; L100-M103 PolarHBondContact O-N 3.42Å; L100-F104 PolarHBondContact O-N 3.32Å |
| 101 | E | 83.4 | Confident | 75.9 | Confident | 101 Ų | 101 | 96.4 Ų | 96.4 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.2 | 179.4 | 64.9 | 72.5 | 0 | 0 | 111.7 | P97 M103 F104 Q105 | P97-E101 WeakPolarHBondContact O-CB 3.48Å; P97-E101 PolarHBondContact O-N 3.49Å; E101-M103 PolarHBondContact O-N 2.99Å; E101-F104 PolarHBondContact O-N 3.02Å; E101-Q105 WeakPolarHBondContact O-CG 3.26Å; E101-Q105 PolarHBondContact O-N 3.33Å; E101-Q105 WeakPolarHBondContact OE2-CG 3.47Å; E101-Q105 PolarHBondContact OE2-NE2 3.22Å |
| 102 | F | 85.3 | Confident | 77 | Confident | 127 Ų | 127 | 97 Ų | 97 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.7 | -47.4 | 175.8 | 177.3 | -92.4 | 0 | 0 | 0 | 111.9 | A98 Q99 F104 Q105 E106 | A98-F102 WeakPolarHBondContact O-CB 3.34Å; A98-F102 PolarHBondContact O-N 2.97Å; Q99-F102 PolarHBondContact O-N 3.49Å; F102-F104 PolarHBondContact O-N 3.46Å; F102-Q105 PolarHBondContact O-N 2.96Å; F102-E106 WeakPolarHBondContact CE1-OE2 3.4Å; F102-E106 PolarHBondContact O-N 3.38Å |
| 103 | M | 82.3 | Confident | 77.2 | Confident | 76 Ų | 76 | 97 Ų | 97 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 179.8 | -67.6 | 177.7 | 82.9 | 0 | 0 | 112.1 | Y72 Q99 L100 E101 E106 A107 | Y72-M103 HydrophobicContact CE1-CB 4.21Å; Y72-M103 HydrophobicContact CE1-CE 3.73Å; Q99-M103 VanDerWaalsContact O-CG 3.27Å; Q99-M103 WeakPolarHBondContact O-CG 3.41Å; Q99-M103 PolarHBondContact O-N 3.42Å; L100-M103 PolarHBondContact O-N 3.42Å; E101-M103 PolarHBondContact O-N 2.99Å; M103-E106 PolarHBondContact O-N 3.48Å; M103-A107 PolarHBondContact O-N 3.45Å |
| 104 | F | 82.9 | Confident | 76.8 | Confident | 118 Ų | 118 | 103.7 Ų | 103.7 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.6 | -44.9 | 175.8 | -175.4 | -108.3 | 0 | 0 | 0 | 111.7 | L100 E101 F102 E106 A107 L108 | L100-F104 PolarHBondContact O-N 3.32Å; E101-F104 PolarHBondContact O-N 3.02Å; F102-F104 PolarHBondContact O-N 3.46Å; F104-E106 VanDerWaalsContact C-N 3.34Å; F104-E106 PolarHBondContact O-N 3.48Å; F104-A107 PolarHBondContact O-N 3.05Å; F104-L108 HydrophobicContact CD1-CD1 3.88Å; F104-L108 HydrophobicContact CD1-CG 4.44Å; F104-L108 HydrophobicContact CE1-CD1 3.46Å; F104-L108 VanDerWaalsContact CE1-CD1 3.46Å; F104-L108 HydrophobicContact CE1-CG 4.16Å; F104-L108 HydrophobicContact CZ-CD1 3.98Å; F104-L108 HydrophobicContact CZ-CD2 4.42Å; F104-L108 HydrophobicContact CZ-CG 4.3Å; F104-L108 WeakPolarHBondContact O-CG 3.27Å; F104-L108 PolarHBondContact O-N 2.97Å |
| 105 | Q | 86.3 | Confident | 77.6 | Confident | 84 Ų | 84 | 103.4 Ų | 103.4 | 39% | 0.393 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65 | -37 | 176.5 | -72 | -177.3 | 36 | 0 | 0 | 112.8 | E101 F102 L108 K109 | E101-Q105 WeakPolarHBondContact O-CG 3.26Å; E101-Q105 PolarHBondContact O-N 3.33Å; E101-Q105 WeakPolarHBondContact OE2-CG 3.47Å; E101-Q105 PolarHBondContact OE2-NE2 3.22Å; F102-Q105 PolarHBondContact O-N 2.96Å; Q105-L108 PolarHBondContact O-N 3.35Å; Q105-K109 VanDerWaalsContact O-CG 3.26Å; Q105-K109 WeakPolarHBondContact O-CG 3.41Å; Q105-K109 PolarHBondContact O-N 3.02Å |
| 106 | E | 86.2 | Confident | 78.2 | Confident | 114 Ų | 114 | 105.6 Ų | 105.6 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.2 | -45.1 | 175.1 | -167 | -177.9 | 117.3 | 0 | 0 | 111.3 | F102 M103 F104 L108 K109 L110 | F102-E106 WeakPolarHBondContact CE1-OE2 3.4Å; F102-E106 PolarHBondContact O-N 3.38Å; M103-E106 PolarHBondContact O-N 3.48Å; F104-E106 VanDerWaalsContact C-N 3.34Å; F104-E106 PolarHBondContact O-N 3.48Å; E106-L108 VanDerWaalsContact C-N 3.33Å; E106-L108 PolarHBondContact O-N 2.99Å; E106-K109 PolarHBondContact O-N 2.78Å; E106-L110 PolarHBondContact O-N 2.82Å |
| 107 | A | 84.1 | Confident | 78.2 | Confident | 46 Ų | 46 | 107.6 Ų | 107.6 | 38% | 0.38 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.9 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M103 F104 L110 K111 | M103-A107 PolarHBondContact O-N 3.45Å; F104-A107 PolarHBondContact O-N 3.05Å; A107-L110 PolarHBondContact O-N 3.31Å; A107-K111 PolarHBondContact O-N 2.79Å; A107-K111 VanDerWaalsContact O-N 3.13Å |
| 108 | L | 84.6 | Confident | 78.4 | Confident | 72 Ų | 72 | 107.8 Ų | 107.8 | 38% | 0.377 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.5 | -42 | 174.6 | -72.1 | 179.7 | 0 | 0 | 0 | 112.2 | F104 Q105 E106 L110 K111 V112 | F104-L108 HydrophobicContact CD1-CD1 3.88Å; F104-L108 HydrophobicContact CD1-CG 4.44Å; F104-L108 HydrophobicContact CE1-CD1 3.46Å; F104-L108 VanDerWaalsContact CE1-CD1 3.46Å; F104-L108 HydrophobicContact CE1-CG 4.16Å; F104-L108 HydrophobicContact CZ-CD1 3.98Å; F104-L108 HydrophobicContact CZ-CD2 4.42Å; F104-L108 HydrophobicContact CZ-CG 4.3Å; F104-L108 WeakPolarHBondContact O-CG 3.27Å; F104-L108 PolarHBondContact O-N 2.97Å; Q105-L108 PolarHBondContact O-N 3.35Å; E106-L108 VanDerWaalsContact C-N 3.33Å; E106-L108 PolarHBondContact O-N 2.99Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 3.4Å; L108-K111 PolarHBondContact O-N 3.25Å; L108-V112 WeakPolarHBondContact O-CG2 3.49Å; L108-V112 PolarHBondContact O-N 3.33Å |
| 109 | K | 83.1 | Confident | 78.3 | Confident | 139 Ų | 139 | 110.9 Ų | 110.9 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.1 | -40.6 | 177 | -74.3 | 167.9 | -172.4 | 166.9 | 0 | 111.8 | Q105 E106 K111 V112 A113 | Q105-K109 VanDerWaalsContact O-CG 3.26Å; Q105-K109 WeakPolarHBondContact O-CG 3.41Å; Q105-K109 PolarHBondContact O-N 3.02Å; E106-K109 PolarHBondContact O-N 2.78Å; K109-K111 VanDerWaalsContact C-N 3.32Å; K109-K111 PolarHBondContact O-N 2.96Å; K109-V112 PolarHBondContact O-N 3Å; K109-A113 WeakPolarHBondContact O-CB 3.36Å; K109-A113 PolarHBondContact O-N 2.7Å |
| 110 | L | 80.3 | Confident | 78 | Confident | 138 Ų | 138 | 110.3 Ų | 110.3 | 72% | 0.723 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.6 | -40.6 | 176.1 | -172.1 | 68 | 0 | 0 | 0 | 111.5 | E106 A107 L108 | E106-L110 PolarHBondContact O-N 2.82Å; A107-L110 PolarHBondContact O-N 3.31Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 3.4Å |
| 111 | K | 72.6 | Confident | 77.8 | Confident | 154 Ų | 154 | 115.1 Ų | 115.1 | 67% | 0.67 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.8 | -27.1 | 179.1 | -168.4 | 166.5 | 75.1 | 167 | 0 | 114.2 | A107 L108 K109 | A107-K111 PolarHBondContact O-N 2.79Å; A107-K111 VanDerWaalsContact O-N 3.13Å; L108-K111 PolarHBondContact O-N 3.25Å; K109-K111 VanDerWaalsContact C-N 3.32Å; K109-K111 PolarHBondContact O-N 2.96Å |
| 112 | V | 69.6 | Low | 77.4 | Confident | 123 Ų | 123 | 116.2 Ų | 116.2 | 75% | 0.745 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -85.8 | -15.5 | 179.6 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | L108 K109 | L108-V112 WeakPolarHBondContact O-CG2 3.49Å; L108-V112 PolarHBondContact O-N 3.33Å; K109-V112 PolarHBondContact O-N 3Å |
| 113 | A | 60.1 | Low | 76.7 | Confident | 90 Ų | 90 | 115.3 Ų | 115.3 | 74% | 0.744 | 60% | 0.595 | S | S | * | * | | | trans | -90.2 | 2.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K109 | K109-A113 WeakPolarHBondContact O-CB 3.36Å; K109-A113 PolarHBondContact O-N 2.7Å |
| 114 | E | 48.7 | Very low | 76.2 | Confident | 230 Ų | 230 | 118.9 Ų | 118.9 | 100% | 1.075 | 62% | 0.615 | S | S | * | * | | | trans | -100.3 | 0 | 171.3 | -173.3 | 177.7 | 171.3 | 0 | 0 | 110.2 | | |