| 1 | M | 61.9 | Low | 72.1 | Confident | 179 Ų | 179 | 120.3 Ų | 120.3 | 88% | 0.882 | 61% | 0.607 | S | S | * | * | | | | 0 | -55.3 | 0 | -161.1 | 177.5 | -69.2 | 0 | 0 | 111 | T3 L4 I5 | M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 2.76Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-I5 HydrophobicContact CG-CD1 4.44Å; M1-I5 WeakPolarHBondContact O-CG1 3.26Å; M1-I5 PolarHBondContact O-N 3.31Å |
| 2 | I | 70.4 | Confident | 71.5 | Confident | 139 Ų | 139 | 122.8 Ų | 122.8 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59.8 | -39.3 | 178.6 | -61.5 | 167.1 | 0 | 0 | 0 | 112.5 | L4 I5 T6 | I2-L4 PolarHBondContact O-N 3.25Å; I2-I5 PolarHBondContact O-N 3.32Å; I2-T6 PolarHBondContact O-N 3.39Å; I2-T6 VanDerWaalsContact O-N 3.16Å; I2-T6 PolarHBondContact O-OG1 2.85Å |
| 3 | T | 75.3 | Confident | 70.8 | Confident | 105 Ų | 105 | 120.6 Ų | 120.6 | 64% | 0.644 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.8 | -31.2 | 178.2 | 50.7 | 0 | 0 | 0 | 0 | 114.2 | M1 T6 E7 | M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 2.76Å; T3-T6 PolarHBondContact O-OG1 3.39Å; T3-E7 WeakPolarHBondContact O-CB 3.23Å; T3-E7 PolarHBondContact O-N 2.97Å |
| 4 | L | 78.1 | Confident | 69.9 | Low | 110 Ų | 110 | 123.9 Ų | 123.9 | 58% | 0.576 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.8 | -33.3 | 177.2 | -65.2 | 171 | 0 | 0 | 0 | 111.1 | M1 I2 Q8 | M1-L4 PolarHBondContact O-N 3.29Å; I2-L4 PolarHBondContact O-N 3.25Å; L4-Q8 WeakPolarHBondContact O-CB 3.49Å; L4-Q8 WeakPolarHBondContact O-CG 3.32Å; L4-Q8 PolarHBondContact O-N 2.99Å |
| 5 | I | 76.5 | Confident | 69.3 | Low | 95 Ų | 95 | 126.3 Ų | 126.3 | 49% | 0.487 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -70.9 | -41.8 | 178.5 | -62.6 | 165.4 | 0 | 0 | 0 | 110 | M1 I2 Q8 L9 | M1-I5 HydrophobicContact CG-CD1 4.44Å; M1-I5 WeakPolarHBondContact O-CG1 3.26Å; M1-I5 PolarHBondContact O-N 3.31Å; I2-I5 PolarHBondContact O-N 3.32Å; I5-Q8 PolarHBondContact O-N 3.18Å; I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 VanDerWaalsContact O-CG 3.32Å; I5-L9 WeakPolarHBondContact O-CG 3.41Å; I5-L9 PolarHBondContact O-N 3.17Å |
| 6 | T | 78.1 | Confident | 68.6 | Low | 79 Ų | 79 | 128.6 Ų | 128.6 | 49% | 0.485 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68.1 | -37.4 | 177.9 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | I2 T3 L9 Q10 | I2-T6 PolarHBondContact O-N 3.39Å; I2-T6 VanDerWaalsContact O-N 3.16Å; I2-T6 PolarHBondContact O-OG1 2.85Å; T3-T6 PolarHBondContact O-OG1 3.39Å; T6-L9 PolarHBondContact O-N 3.4Å; T6-Q10 WeakPolarHBondContact O-CB 3.18Å; T6-Q10 PolarHBondContact O-N 3.35Å; T6-Q10 VanDerWaalsContact O-N 3.09Å |
| 7 | E | 73.2 | Confident | 68.1 | Low | 92 Ų | 92 | 131.1 Ų | 131.1 | 43% | 0.43 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.2 | -38.2 | 176.4 | -157.5 | -149.2 | 160.9 | 0 | 0 | 111.9 | T3 K11 | T3-E7 WeakPolarHBondContact O-CB 3.23Å; T3-E7 PolarHBondContact O-N 2.97Å; E7-K11 WeakPolarHBondContact O-CG 3.43Å; E7-K11 PolarHBondContact O-N 2.95Å; E7-K11 WeakPolarHBondContact OE1-CE 3.34Å; E7-K11 IonicContact OE1-NZ 2.65Å; E7-K11 PolarHBondContact OE1-NZ 3.21Å |
| 8 | Q | 73.6 | Confident | 67.4 | Low | 125 Ų | 125 | 134.6 Ų | 134.6 | 58% | 0.584 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.5 | -42.6 | 175.3 | -78.3 | -82.5 | -9 | 0 | 0 | 112.2 | L4 I5 Q10 K11 | L4-Q8 WeakPolarHBondContact O-CB 3.49Å; L4-Q8 WeakPolarHBondContact O-CG 3.32Å; L4-Q8 PolarHBondContact O-N 2.99Å; I5-Q8 PolarHBondContact O-N 3.18Å; Q8-Q10 PolarHBondContact O-N 3.02Å; Q8-K11 PolarHBondContact O-N 2.95Å |
| 9 | L | 69.6 | Low | 66.4 | Low | 100 Ų | 100 | 133.9 Ų | 133.9 | 52% | 0.524 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -67.3 | -35.7 | 178.6 | -73.2 | 169.9 | 0 | 0 | 0 | 112.4 | I5 T6 K11 Q12 | I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 VanDerWaalsContact O-CG 3.32Å; I5-L9 WeakPolarHBondContact O-CG 3.41Å; I5-L9 PolarHBondContact O-N 3.17Å; T6-L9 PolarHBondContact O-N 3.4Å; L9-K11 VanDerWaalsContact C-N 3.28Å; L9-K11 PolarHBondContact O-N 3.35Å; L9-Q12 PolarHBondContact O-N 2.8Å; L9-Q12 VanDerWaalsContact O-N 3.16Å |
| 10 | Q | 68.3 | Low | 65.8 | Low | 152 Ų | 152 | 132.5 Ų | 132.5 | 71% | 0.71 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.6 | -25.1 | 179.4 | -158.7 | 172 | 4.4 | 0 | 0 | 112.7 | T6 Q8 Q12 T13 | T6-Q10 WeakPolarHBondContact O-CB 3.18Å; T6-Q10 PolarHBondContact O-N 3.35Å; T6-Q10 VanDerWaalsContact O-N 3.09Å; Q8-Q10 PolarHBondContact O-N 3.02Å; Q10-Q12 VanDerWaalsContact C-N 3.31Å; Q10-T13 PolarHBondContact O-OG1 3Å |
| 11 | K | 67.9 | Low | 64.7 | Low | 147 Ų | 147 | 137.8 Ų | 137.8 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -10 | 173 | -68.8 | 176.8 | -173.5 | 176.4 | 0 | 113.6 | E7 Q8 L9 | E7-K11 WeakPolarHBondContact O-CG 3.43Å; E7-K11 PolarHBondContact O-N 2.95Å; E7-K11 WeakPolarHBondContact OE1-CE 3.34Å; E7-K11 IonicContact OE1-NZ 2.65Å; E7-K11 PolarHBondContact OE1-NZ 3.21Å; Q8-K11 PolarHBondContact O-N 2.95Å; L9-K11 VanDerWaalsContact C-N 3.28Å; L9-K11 PolarHBondContact O-N 3.35Å |
| 12 | Q | 64.7 | Low | 64 | Low | 150 Ų | 150 | 137.8 Ų | 137.8 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -99 | -6 | 179.1 | -72.5 | -169 | -25.2 | 0 | 0 | 114 | L9 Q10 L14 | L9-Q12 PolarHBondContact O-N 2.8Å; L9-Q12 VanDerWaalsContact O-N 3.16Å; Q10-Q12 VanDerWaalsContact C-N 3.31Å; Q12-L14 PolarHBondContact O-N 3.2Å |
| 13 | T | 62.3 | Low | 63 | Low | 95 Ų | 95 | 136.1 Ų | 136.1 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -91.2 | 111.6 | -177.1 | 44.7 | 0 | 0 | 0 | 0 | 112.4 | Q10 | Q10-T13 PolarHBondContact O-OG1 3Š|
| 14 | L | 59.2 | Low | 61.6 | Low | 166 Ų | 166 | 138 Ų | 138 | 87% | 0.869 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 74.9 | 61.2 | 146 | -72.2 | 157.8 | 0 | 0 | 0 | 117.4 | Q12 | Q12-L14 PolarHBondContact O-N 3.2Š|
| 15 | D | 60.4 | Low | 60.2 | Low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -129.1 | 139.4 | 138.7 | -108.4 | -26.4 | 0 | 0 | 0 | 108.7 | | |
| 16 | E | 57.7 | Low | 58.9 | Low | 163 Ų | 163 | 140.5 Ų | 140.5 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | | | trans | 74.9 | 72 | 171.5 | -54.7 | -169 | 146.3 | 0 | 0 | 118.9 | | |
| 17 | L | 60.8 | Low | 57.4 | Low | 170 Ų | 170 | 142.5 Ų | 142.5 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | | | trans | -129.2 | 81.4 | 137 | -71 | 173.2 | 0 | 0 | 0 | 108.8 | C19 | L17-C19 VanDerWaalsContact C-N 3.27Å; L17-C19 PolarHBondContact O-N 2.73Å |
| 18 | K | 54.5 | Low | 56.3 | Low | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | | | trans | -64.4 | 92.5 | 163.4 | -73.4 | 177.2 | -179 | 169.5 | 0 | 107.4 | T20 | K18-T20 PolarHBondContact O-N 2.83Š|
| 19 | C | 49.6 | Very low | 55 | Low | 123 Ų | 123 | 145.1 Ų | 145.1 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | | | trans | -60.2 | 100.8 | 171.9 | -77.7 | 0 | 0 | 0 | 0 | 109.6 | L17 R21 | L17-C19 VanDerWaalsContact C-N 3.27Å; L17-C19 PolarHBondContact O-N 2.73Å; C19-R21 PolarHBondContact O-N 2.87Å |
| 20 | T | 54.3 | Low | 54.3 | Low | 105 Ų | 105 | 146.9 Ų | 146.9 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | | | trans | -67.1 | 116.3 | 165.9 | 38.5 | 0 | 0 | 0 | 0 | 108.4 | K18 F22 | K18-T20 PolarHBondContact O-N 2.83Å; T20-F22 WeakPolarHBondContact O-CD2 3.15Å; T20-F22 PolarHBondContact O-N 3.28Å |
| 21 | R | 42.8 | Very low | 53.7 | Low | 243 Ų | 243 | 148 Ų | 148 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | | | trans | -71.7 | 106.5 | 178.8 | -175.6 | 177.8 | -172.6 | 99.2 | -0.7 | 108.7 | C19 S23 | C19-R21 PolarHBondContact O-N 2.87Å; R21-S23 PolarHBondContact O-N 2.62Å |
| 22 | F | 46.2 | Very low | 52.4 | Low | 180 Ų | 180 | 145.4 Ų | 145.4 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | | | trans | -75 | 114.3 | 169.8 | -63.2 | -79.6 | 0 | 0 | 0 | 109.4 | T20 | T20-F22 WeakPolarHBondContact O-CD2 3.15Å; T20-F22 PolarHBondContact O-N 3.28Å |
| 23 | S | 49.9 | Very low | 51.8 | Low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | trans | -84.5 | 114.2 | 166.3 | 58.9 | 0 | 0 | 0 | 0 | 108.6 | R21 | R21-S23 PolarHBondContact O-N 2.62Š|
| 24 | I | 46.3 | Very low | 50.9 | Low | 146 Ų | 146 | 147.3 Ų | 147.3 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | trans | -90.3 | 108.7 | 174.4 | -58.2 | 171.3 | 0 | 0 | 0 | 107.2 | L26 | I24-L26 HydrophobicContact CG2-CD2 4.12Å; I24-L26 HydrophobicContact CG2-CG 4.22Å |
| 25 | S | 48.7 | Very low | 50.7 | Low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -92.4 | 112.3 | 169 | -49.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 26 | L | 48 | Very low | 50.2 | Low | 149 Ų | 149 | 145.3 Ų | 145.3 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 136.8 | 172.1 | -67 | 173.7 | 0 | 0 | 0 | 109.3 | I24 L28 | I24-L26 HydrophobicContact CG2-CD2 4.12Å; I24-L26 HydrophobicContact CG2-CG 4.22Å; L26-L28 PolarHBondContact O-N 3.15Å |
| 27 | P | 48.1 | Very low | 49.4 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 127.7 | 177.1 | 29.7 | -30.5 | 0 | 0 | 0 | 109.8 | | |
| 28 | L | 50.3 | Low | 48.8 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 131.3 | 172 | -168.2 | 69.5 | 0 | 0 | 0 | 108.5 | L26 D30 | L26-L28 PolarHBondContact O-N 3.15Å; L28-D30 PolarHBondContact O-N 2.7Å |
| 29 | P | 45.8 | Very low | 48.3 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 118 | 173.4 | -13.9 | 28.6 | 0 | 0 | 0 | 109.8 | | |
| 30 | D | 54 | Low | 48.2 | Very low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 135 | 166.3 | -94.5 | -29.5 | 0 | 0 | 0 | 109.9 | L28 | L28-D30 PolarHBondContact O-N 2.7Š|
| 31 | H | 55.8 | Low | 47.8 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | | | trans | 72.8 | 102.1 | 166.1 | -56 | -68.4 | 0 | 0 | 0 | 118.9 | | |
| 32 | A | 41.2 | Very low | 47.8 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | | | trans | -152.4 | 117.7 | 132.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | I34 | A32-I34 PolarHBondContact O-N 3.4Š|
| 33 | D | 51.4 | Low | 47.9 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | | | trans | -58.1 | 116.1 | 171.6 | -70.4 | -52.4 | 0 | 0 | 0 | 111.1 | | |
| 34 | I | 44.2 | Very low | 47.7 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 63% | 0.631 | 76% | 0.756 | S | S | * | * | | | trans | -139.4 | 86.1 | 159.7 | -50.1 | 177.6 | 0 | 0 | 0 | 108.7 | A32 N36 | A32-I34 PolarHBondContact O-N 3.4Å; I34-N36 PolarHBondContact O-N 3.35Å |
| 35 | S | 53.9 | Low | 47.6 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | 124.3 | 150.9 | -48.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 36 | N | 50.3 | Low | 47.5 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.5 | 42.2 | 172.8 | -146.6 | 23.5 | 0 | 0 | 0 | 118 | I34 | I34-N36 PolarHBondContact O-N 3.35Š|
| 37 | C | 42.3 | Very low | 47.6 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | | | trans | -121.7 | 116.3 | 150.9 | 45.4 | 0 | 0 | 0 | 0 | 109.1 | N39 | C37-N39 PolarHBondContact O-N 3.41Š|
| 38 | G | 48.1 | Very low | 47.5 | Very low | 75 Ų | 75 | 128.7 Ų | 128.7 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -52.5 | 124.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P40 | G38-P40 WeakPolarHBondContact O-CD 3.48Š|
| 39 | N | 44 | Very low | 47.5 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | | | trans | -53.7 | 118.4 | -174.1 | -153.2 | -19.7 | 0 | 0 | 0 | 111 | C37 F41 | C37-N39 PolarHBondContact O-N 3.41Å; N39-F41 PolarHBondContact O-N 3.16Å |
| 40 | P | 46.5 | Very low | 47.5 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -78.9 | 0.2 | -177.9 | 28.7 | -30.5 | 0 | 0 | 0 | 113.6 | G38 | G38-P40 WeakPolarHBondContact O-CD 3.48Š|
| 41 | F | 46.4 | Very low | 47.2 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 75% | 0.746 | 76% | 0.761 | S | S | * | * | | | trans | -133.5 | 66.5 | 178.1 | -58.4 | -73.8 | 0 | 0 | 0 | 111.3 | N39 L43 | N39-F41 PolarHBondContact O-N 3.16Å; F41-L43 PolarHBondContact O-N 3.29Å |
| 42 | Q | 42.7 | Very low | 47.1 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -79.1 | 101 | 157.2 | -153.1 | 166.6 | 31.3 | 0 | 0 | 107.2 | V44 | Q42-V44 PolarHBondContact O-N 3.44Š|
| 43 | L | 47.4 | Very low | 47.2 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | | | trans | -61 | 100.3 | 171 | -131.8 | 110.9 | 0 | 0 | 0 | 107.2 | F41 S45 | F41-L43 PolarHBondContact O-N 3.29Å; L43-S45 PolarHBondContact O-N 3.3Å |
| 44 | V | 45.5 | Very low | 47 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 58% | 0.582 | 75% | 0.747 | S | S | * | * | | | trans | -73.5 | 117 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 107 | Q42 E46 A48 | Q42-V44 PolarHBondContact O-N 3.44Å; V44-E46 PolarHBondContact O-N 3.2Å; V44-A48 HydrophobicContact CG1-CB 3.94Å |
| 45 | S | 45.5 | Very low | 47 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | -54 | 136.7 | 172.4 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | L43 G47 | L43-S45 PolarHBondContact O-N 3.3Å; S45-G47 PolarHBondContact O-N 3.17Å |
| 46 | E | 45.8 | Very low | 46.2 | Very low | 207 Ų | 207 | 133.8 Ų | 133.8 | 97% | 0.967 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | 98.1 | 179.9 | -168.2 | 171.3 | -173.5 | 0 | 0 | 110.8 | V44 | V44-E46 PolarHBondContact O-N 3.2Š|
| 47 | G | 50.6 | Low | 45.8 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.3 | -10.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 118 | S45 | S45-G47 PolarHBondContact O-N 3.17Š|
| 48 | A | 46.2 | Very low | 45.4 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 55% | 0.545 | 77% | 0.77 | S | S | . | * | | | trans | -89.9 | 129.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V44 | V44-A48 HydrophobicContact CG1-CB 3.94Š|
| 49 | S | 50 | Low | 44.9 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -70.1 | 129 | 179.7 | 173.6 | 0 | 0 | 0 | 0 | 112.9 | R51 | S49-R51 PolarHBondContact O-N 3Š|
| 50 | W | 46.2 | Very low | 44.3 | Very low | 216 Ų | 216 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -73.3 | 27.1 | -177.6 | -68.3 | 98.5 | 0 | 0 | 0 | 115.9 | G52 L53 | W50-G52 PolarHBondContact O-N 3.38Å; W50-L53 HydrophobicContact CE3-CD1 4.09Å; W50-L53 HydrophobicContact CZ3-CD1 3.89Å |
| 51 | R | 46.3 | Very low | 43.7 | Very low | 230 Ų | 230 | 141.5 Ų | 141.5 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | | | trans | -103.3 | 71.2 | -178.8 | -67.8 | -115.5 | -74.3 | -87.4 | 0.3 | 110.3 | S49 | S49-R51 PolarHBondContact O-N 3Š|
| 52 | G | 53.6 | Low | 43.2 | Very low | 71 Ų | 71 | 141.9 Ų | 141.9 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | 166.5 | 33.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | W50 | W50-G52 PolarHBondContact O-N 3.38Š|
| 53 | L | 44.4 | Very low | 42.7 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | | | trans | -101.3 | 133 | 168.9 | -75.1 | 165.9 | 0 | 0 | 0 | 110.4 | W50 | W50-L53 HydrophobicContact CE3-CD1 4.09Å; W50-L53 HydrophobicContact CZ3-CD1 3.89Å |
| 54 | P | 47.6 | Very low | 42.5 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | | | trans | -70.5 | 145.7 | 177.5 | 30 | -32 | 0 | 0 | 0 | 110.1 | C56 | P54-C56 PolarHBondContact O-N 3.29Š|
| 55 | H | 43 | Very low | 42.4 | Very low | 197 Ų | 197 | 141 Ų | 141 | 91% | 0.912 | 80% | 0.8 | S | S | * | * | | | trans | -57.5 | 110.8 | 173.5 | -86.3 | -78.8 | 0 | 0 | 0 | 110.3 | S57 | H55-S57 PolarHBondContact O-N 3.46Š|
| 56 | C | 38.7 | Very low | 42.2 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 116.8 | 169.5 | -79.5 | 0 | 0 | 0 | 0 | 110 | P54 | P54-C56 PolarHBondContact O-N 3.29Š|
| 57 | S | 40.3 | Very low | 41.8 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 128.5 | 163.8 | 39.3 | 0 | 0 | 0 | 0 | 109.9 | H55 A59 | H55-S57 PolarHBondContact O-N 3.46Å; S57-A59 PolarHBondContact O-N 3.5Å |
| 58 | C | 34.4 | Very low | 41.2 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 128.5 | 173.4 | -81 | 0 | 0 | 0 | 0 | 110.3 | E60 | C58-E60 PolarHBondContact O-N 3.44Š|
| 59 | A | 37.8 | Very low | 40.7 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 120.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S57 F61 | S57-A59 PolarHBondContact O-N 3.5Å; A59-F61 PolarHBondContact O-N 3.3Å |
| 60 | E | 32.3 | Very low | 40.1 | Very low | 187 Ų | 187 | 153.2 Ų | 153.2 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 121.2 | 170 | -74.2 | 170 | 133.1 | 0 | 0 | 109.6 | C58 Q62 | C58-E60 PolarHBondContact O-N 3.44Å; E60-Q62 PolarHBondContact O-N 3.11Å |
| 61 | F | 31.9 | Very low | 39.8 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 118.6 | 164.6 | -110.9 | -100.4 | 0 | 0 | 0 | 108 | A59 D63 | A59-F61 PolarHBondContact O-N 3.3Å; F61-D63 PolarHBondContact O-N 3.02Å |
| 62 | Q | 37 | Very low | 39.4 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | -77.4 | 101.9 | 171 | -72.6 | -162.8 | 42.7 | 0 | 0 | 109.6 | E60 | E60-Q62 PolarHBondContact O-N 3.11Š|
| 63 | D | 32.3 | Very low | 38.4 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | trans | -89.8 | 118.1 | 159.1 | -82.7 | -25.6 | 0 | 0 | 0 | 109.2 | F61 L65 | F61-D63 PolarHBondContact O-N 3.02Å; D63-L65 PolarHBondContact O-N 3.01Å |
| 64 | S | 43.6 | Very low | 38 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -71.7 | 88.5 | -179.5 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 65 | L | 41.9 | Very low | 37.3 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | | | trans | -135.2 | 108.1 | 157.9 | -72.3 | 176.6 | 0 | 0 | 0 | 109.6 | D63 F67 | D63-L65 PolarHBondContact O-N 3.01Å; L65-F67 PolarHBondContact O-N 3.42Å |
| 66 | N | 43.3 | Very low | 37 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -54.2 | 102.8 | 167.4 | -99.3 | -42.8 | 0 | 0 | 0 | 110.2 | | |
| 67 | F | 36.2 | Very low | 36.9 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | trans | -140.5 | 104.9 | 151 | -80.4 | -73.7 | 0 | 0 | 0 | 108.2 | L65 Y69 | L65-F67 PolarHBondContact O-N 3.42Å; F67-Y69 HydrophobicContact CB-CD2 4.18Å; F67-Y69 HydrophobicContact CB-CE2 4.2Å; F67-Y69 PolarHBondContact O-N 3.05Å |
| 68 | S | 39.1 | Very low | 36.6 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | -62.7 | 101.6 | 172.1 | 54.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 69 | Y | 35.1 | Very low | 36.5 | Very low | 201 Ų | 201 | 152 Ų | 152 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | | | trans | -125.2 | 112.3 | 160.3 | -76 | -81 | 0 | 0 | 0 | 108.2 | F67 P71 | F67-Y69 HydrophobicContact CB-CD2 4.18Å; F67-Y69 HydrophobicContact CB-CE2 4.2Å; F67-Y69 PolarHBondContact O-N 3.05Å; Y69-P71 WeakPolarHBondContact O-CD 3.28Å |
| 70 | H | 37.6 | Very low | 36.8 | Very low | 175 Ų | 175 | 152.9 Ų | 152.9 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -61.8 | 126.2 | 170.8 | -67.6 | -84.6 | 0 | 0 | 0 | 109.9 | S72 | H70-S72 PolarHBondContact O-N 3.08Š|
| 71 | P | 39 | Very low | 37.3 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | -84.8 | 103 | 157.9 | 30.9 | -26.5 | 0 | 0 | 0 | 108.1 | Y69 G73 | Y69-P71 WeakPolarHBondContact O-CD 3.28Å; P71-G73 PolarHBondContact O-N 2.65Å |
| 72 | S | 37.4 | Very low | 37.3 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -62.1 | 106 | 163.5 | -66.3 | 0 | 0 | 0 | 0 | 108.7 | H70 L74 | H70-S72 PolarHBondContact O-N 3.08Å; S72-L74 PolarHBondContact O-N 3.22Å |
| 73 | G | 33.2 | Very low | 37.2 | Very low | 70 Ų | 70 | 148.8 Ų | 148.8 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | -66.2 | 125.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P71 | P71-G73 PolarHBondContact O-N 2.65Š|
| 74 | L | 36.1 | Very low | 37.1 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -104.6 | 82.6 | 161.7 | -66 | 178.6 | 0 | 0 | 0 | 108.1 | S72 L76 | S72-L74 PolarHBondContact O-N 3.22Å; L74-L76 PolarHBondContact O-N 3.09Å |
| 75 | S | 33.2 | Very low | 36.6 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -70.3 | 104.2 | 162.6 | -85.1 | 0 | 0 | 0 | 0 | 109 | H77 | S75-H77 PolarHBondContact O-N 3.31Š|
| 76 | L | 35.7 | Very low | 36.2 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -73.5 | 82.1 | 162.5 | -71.4 | 170.7 | 0 | 0 | 0 | 108.9 | L74 L78 | L74-L76 PolarHBondContact O-N 3.09Å; L76-L78 PolarHBondContact O-N 3.14Å |
| 77 | H | 38.4 | Very low | 36.4 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -77.7 | 96.8 | 163.5 | -90 | -76.8 | 0 | 0 | 0 | 109.2 | S75 | S75-H77 PolarHBondContact O-N 3.31Š|
| 78 | L | 32.4 | Very low | 36.2 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | trans | -87 | 109.2 | 158.3 | -72.3 | 169 | 0 | 0 | 0 | 108.1 | L76 | L76-L78 PolarHBondContact O-N 3.14Š|
| 79 | R | 32.3 | Very low | 36 | Very low | 227 Ų | 227 | 144.5 Ų | 144.5 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -120.9 | 123.8 | 165.8 | -171.3 | 179.6 | -166.3 | 150.5 | 4 | 108 | | |
| 80 | P | 45.5 | Very low | 36 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -84.5 | 153.2 | 166.1 | 34.9 | -29.4 | 0 | 0 | 0 | 109.3 | | |
| 81 | P | 42.7 | Very low | 36.3 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | | -150.3 | 149.9 | 98.4 | 36.3 | -17.1 | 0 | 0 | 0 | 117.2 | | |
| 82 | S | 31.3 | Very low | 35.9 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | 31.1 | 118.9 | 141.6 | 67.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 83 | R | 34.6 | Very low | 35.9 | Very low | 258 Ų | 258 | 140.6 Ų | 140.6 | 97% | 0.974 | 79% | 0.789 | S | S | * | * | | | | 46.9 | 112.8 | 112.4 | -145.7 | 179.4 | -171.5 | -157.8 | 1.8 | 119.3 | | |
| 84 | G | 30.8 | Very low | 36 | Very low | 79 Ų | 79 | 145.7 Ų | 145.7 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | | | trans | 176.5 | 134.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 85 | S | 33.5 | Very low | 36.2 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -82.4 | 141.6 | -165.2 | 46.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 86 | S | 32.3 | Very low | 36.4 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | 16.5 | 170.3 | 139.1 | -119.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 87 | P | 47.7 | Very low | 36.3 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | cis | -132.3 | 169.8 | -44.1 | 29.7 | -10.3 | 0 | 0 | 0 | 112.7 | | |
| 88 | K | 33.2 | Very low | 36.7 | Very low | 178 Ų | 178 | 147.5 Ų | 147.5 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | | | trans | 175.9 | 126.7 | 137.2 | -102.3 | -161.7 | 164.8 | -175.2 | 0 | 114.4 | | |
| 89 | E | 33.9 | Very low | 37.2 | Very low | 167 Ų | 167 | 145 Ų | 145 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | 64.7 | 115 | 138.3 | -49.1 | -162.6 | 151.4 | 0 | 0 | 122.4 | | |
| 90 | Q | 35.2 | Very low | 38.4 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | -67.8 | 174.7 | 148.1 | -78.4 | -174.2 | -23.6 | 0 | 0 | 110.6 | | |
| 91 | P | 43.9 | Very low | 38.5 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | cis | -148 | 179.3 | 22.9 | 39 | -16.2 | 0 | 0 | 0 | 118.5 | | |
| 92 | L | 30 | Very low | 38.7 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | | | trans | 72.5 | 113.9 | 142.8 | -100.9 | 146.4 | 0 | 0 | 0 | 121 | Q94 | L92-Q94 HydrophobicContact CD2-CG 4.44Š|
| 93 | S | 37.8 | Very low | 39.4 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | | 175 | 93.8 | 128.1 | -72.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 94 | Q | 36.1 | Very low | 40.3 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | | 36.7 | 88.1 | 95 | -68.8 | -169.5 | 1.9 | 0 | 0 | 114.5 | L92 | L92-Q94 HydrophobicContact CD2-CG 4.44Š|
| 95 | V | 38.8 | Very low | 41.4 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | | | trans | -136.3 | 131.5 | 149.9 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 96 | L | 38.4 | Very low | 42.2 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | -52.5 | 138.5 | -179.1 | -124.9 | 65.8 | 0 | 0 | 0 | 114.3 | | |
| 97 | R | 34 | Very low | 43.2 | Very low | 203 Ų | 203 | 143.9 Ų | 143.9 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | 25.6 | 150.3 | 141.3 | -110.1 | -158.7 | 163.2 | 174.3 | -6.3 | 120.3 | | |
| 98 | P | 47 | Very low | 44 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | | | cis | -126.1 | 157.2 | 48.2 | 8.4 | 16.7 | 0 | 0 | 0 | 115.8 | | |
| 99 | E | 42.4 | Very low | 45.4 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 55% | 0.551 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 139.4 | 178.8 | 173.1 | -100.3 | -172.9 | 0 | 0 | 111.6 | | |
| 100 | P | 56.7 | Low | 46.7 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 140.6 | 172 | 30.6 | -31.4 | 0 | 0 | 0 | 110.5 | | |
| 101 | P | 48.4 | Very low | 48.2 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 138.7 | -174.4 | 27.1 | -34.2 | 0 | 0 | 0 | 112.5 | | |
| 102 | D | 45.8 | Very low | 49.4 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 58% | 0.583 | 76% | 0.763 | S | S | * | * | | | trans | -41.7 | 121.7 | 169.9 | -172.7 | 11.3 | 0 | 0 | 0 | 114.5 | E104 | D102-E104 VanDerWaalsContact C-N 3.28Å; D102-E104 PolarHBondContact O-N 3.48Å; D102-E104 WeakPolarHBondContact OD1-CG 3.42Å; D102-E104 PolarHBondContact OD1-N 3.44Å |
| 103 | P | 47.8 | Very low | 51.2 | Low | 124 Ų | 124 | 134.5 Ų | 134.5 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | trans | -88.5 | 40 | 170.5 | 35.7 | -33.3 | 0 | 0 | 0 | 113 | K105 | P103-K105 PolarHBondContact O-N 2.82Å; P103-K105 VanDerWaalsContact O-N 3.14Å |
| 104 | E | 52.4 | Low | 52.7 | Low | 164 Ų | 164 | 134.3 Ų | 134.3 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | -83 | 71.9 | 168.2 | -76.8 | -163.4 | -175.4 | 0 | 0 | 112.8 | D102 | D102-E104 VanDerWaalsContact C-N 3.28Å; D102-E104 PolarHBondContact O-N 3.48Å; D102-E104 WeakPolarHBondContact OD1-CG 3.42Å; D102-E104 PolarHBondContact OD1-N 3.44Å |
| 105 | K | 54.5 | Low | 54.1 | Low | 201 Ų | 201 | 136.2 Ų | 136.2 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | 174.4 | 78.6 | 144.4 | -109.5 | 179.6 | 172.6 | -175 | 0 | 111.6 | P103 | P103-K105 PolarHBondContact O-N 2.82Å; P103-K105 VanDerWaalsContact O-N 3.14Å |
| 106 | L | 49.8 | Very low | 55.2 | Low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | -130.3 | 129.3 | 146.8 | -71.6 | 175.7 | 0 | 0 | 0 | 107.3 | V108 | L106-V108 PolarHBondContact O-N 3.17Š|
| 107 | P | 54.1 | Low | 56.3 | Low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -64.6 | 108.7 | 177.2 | 25.8 | -30.6 | 0 | 0 | 0 | 108.2 | | |
| 108 | V | 62.7 | Low | 57.5 | Low | 129 Ų | 129 | 136.2 Ų | 136.2 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 123.2 | 170.3 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | L106 | L106-V108 PolarHBondContact O-N 3.17Š|
| 109 | P | 62.9 | Low | 57.8 | Low | 104 Ų | 104 | 140.7 Ų | 140.7 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63 | 139.1 | 174.4 | 26.2 | -32.5 | 0 | 0 | 0 | 108.9 | A111 | P109-A111 PolarHBondContact O-N 3.31Š|
| 110 | P | 62.4 | Low | 58.3 | Low | 127 Ų | 127 | 140.8 Ų | 140.8 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59 | 131.3 | 179.7 | 24.1 | -32.5 | 0 | 0 | 0 | 109.6 | | |
| 111 | A | 66.9 | Low | 58.2 | Low | 87 Ų | 87 | 143.6 Ų | 143.6 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 139.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P109 | P109-A111 PolarHBondContact O-N 3.31Š|
| 112 | P | 67.4 | Low | 58.3 | Low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 139.5 | 178.2 | 24.4 | -32.9 | 0 | 0 | 0 | 109.8 | S114 | P112-S114 PolarHBondContact O-N 3.15Š|
| 113 | P | 68.1 | Low | 58.9 | Low | 120 Ų | 120 | 143.9 Ų | 143.9 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 128.2 | -176.4 | 23.2 | -32.6 | 0 | 0 | 0 | 110 | K115 | P113-K115 PolarHBondContact O-N 2.87Š|
| 114 | S | 70.2 | Confident | 59 | Low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 126.7 | 175.9 | 62.6 | 0 | 0 | 0 | 0 | 109 | P112 R116 | P112-S114 PolarHBondContact O-N 3.15Å; S114-R116 PolarHBondContact O-N 3.16Å |
| 115 | K | 64.6 | Low | 59.5 | Low | 217 Ų | 217 | 142.1 Ų | 142.1 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | | | trans | -43.7 | 98.3 | 179.4 | -73.4 | 179 | 177.8 | 175.8 | 0 | 110.2 | P113 H117 | P113-K115 PolarHBondContact O-N 2.87Å; K115-H117 PolarHBondContact O-N 3.49Å; K115-H117 VanDerWaalsContact O-N 3.14Å |
| 116 | R | 63 | Low | 59.6 | Low | 223 Ų | 223 | 135.5 Ų | 135.5 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | trans | -69.2 | 113.7 | 173.6 | -67.5 | -172.3 | -176.7 | -129.5 | 1.2 | 106 | S114 C118 | S114-R116 PolarHBondContact O-N 3.16Å; R116-C118 PolarHBondContact O-N 3.42Å |
| 117 | H | 61.6 | Low | 59.9 | Low | 167 Ų | 167 | 135.2 Ų | 135.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -46.4 | 113.8 | 168.3 | -177.8 | 79.4 | 0 | 0 | 0 | 108.7 | K115 R119 | K115-H117 PolarHBondContact O-N 3.49Å; K115-H117 VanDerWaalsContact O-N 3.14Å; H117-R119 VanDerWaalsContact C-N 3.35Å; H117-R119 PolarHBondContact O-N 3.35Å |
| 118 | C | 57.9 | Low | 60 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -60.9 | 98.5 | 175.5 | -65.5 | 0 | 0 | 0 | 0 | 108.2 | R116 S120 | R116-C118 PolarHBondContact O-N 3.42Å; C118-S120 PolarHBondContact O-N 3.49Å |
| 119 | R | 54.3 | Low | 59.7 | Low | 218 Ų | 218 | 136 Ų | 136 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | | | trans | -69.3 | 125 | 164.8 | -61.3 | -174.5 | 91.8 | 158.9 | 4.9 | 106.4 | H117 L121 | H117-R119 VanDerWaalsContact C-N 3.35Å; H117-R119 PolarHBondContact O-N 3.35Å; R119-L121 PolarHBondContact O-N 3.32Å; R119-L121 VanDerWaalsContact O-N 3.09Å |
| 120 | S | 53.4 | Low | 59 | Low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | | | trans | -47.5 | 113 | 171.9 | 30.2 | 0 | 0 | 0 | 0 | 110.1 | C118 S122 | C118-S120 PolarHBondContact O-N 3.49Å; S120-S122 PolarHBondContact O-N 3.09Å |
| 121 | L | 54 | Low | 58.7 | Low | 166 Ų | 166 | 142.3 Ų | 142.3 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | | | trans | -65.3 | 130.6 | 168.8 | -68.2 | 173 | 0 | 0 | 0 | 108 | R119 | R119-L121 PolarHBondContact O-N 3.32Å; R119-L121 VanDerWaalsContact O-N 3.09Å |
| 122 | S | 50.2 | Low | 58.2 | Low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -40.7 | 131.7 | 178.1 | 43.5 | 0 | 0 | 0 | 0 | 113.9 | S120 | S120-S122 PolarHBondContact O-N 3.09Š|
| 123 | V | 57.7 | Low | 57.7 | Low | 124 Ų | 124 | 143 Ų | 143 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | -56.2 | 124.5 | 160.3 | 176.7 | 0 | 0 | 0 | 0 | 108.2 | V125 | V123-V125 PolarHBondContact O-N 3.48Å; V123-V125 VanDerWaalsContact O-N 3.15Å |
| 124 | P | 51.3 | Low | 57.1 | Low | 108 Ų | 108 | 147.3 Ų | 147.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | trans | -68.6 | 115.4 | 169.3 | 25.8 | -29 | 0 | 0 | 0 | 108.7 | D126 | P124-D126 VanDerWaalsContact C-N 3.26Å; P124-D126 PolarHBondContact O-N 3.37Å |
| 125 | V | 61.3 | Low | 56.8 | Low | 144 Ų | 144 | 152.4 Ų | 152.4 | 87% | 0.873 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -78.9 | 72.4 | 175 | 75.5 | 0 | 0 | 0 | 0 | 109.5 | V123 | V123-V125 PolarHBondContact O-N 3.48Å; V123-V125 VanDerWaalsContact O-N 3.15Å |
| 126 | D | 57.2 | Low | 56.5 | Low | 62 Ų | 62 | 146.3 Ų | 146.3 | 33% | 0.332 | 74% | 0.739 | S | S | . | * | | | trans | -167.5 | 78 | 152.8 | -136.6 | -26.2 | 0 | 0 | 0 | 112.7 | P124 S128 R129 | P124-D126 VanDerWaalsContact C-N 3.26Å; P124-D126 PolarHBondContact O-N 3.37Å; D126-S128 PolarHBondContact O-N 3.27Å; D126-S128 PolarHBondContact OD1-OG 2.96Å; D126-R129 IonicContact OD2-CZ 3.03Å; D126-R129 IonicContact OD2-NH1 2.73Å; D126-R129 PolarHBondContact OD2-NH1 3.32Å; D126-R129 IonicContact OD2-NH2 2.7Å; D126-R129 PolarHBondContact OD2-NH2 3.36Å |
| 127 | L | 56.3 | Low | 56.5 | Low | 147 Ų | 147 | 139.6 Ų | 139.6 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 3.4 | 173.4 | -69.7 | 169.6 | 0 | 0 | 0 | 113 | | |
| 128 | S | 55.8 | Low | 56.2 | Low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -21 | -179.5 | 72.7 | 0 | 0 | 0 | 0 | 113.7 | D126 | D126-S128 PolarHBondContact O-N 3.27Å; D126-S128 PolarHBondContact OD1-OG 2.96Å |
| 129 | R | 57.6 | Low | 56.2 | Low | 183 Ų | 183 | 135.1 Ų | 135.1 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -95 | -0.6 | -179.4 | -77.3 | -166.2 | -70 | -75.4 | -4.2 | 115.2 | D126 | D126-R129 IonicContact OD2-CZ 3.03Å; D126-R129 IonicContact OD2-NH1 2.73Å; D126-R129 PolarHBondContact OD2-NH1 3.32Å; D126-R129 IonicContact OD2-NH2 2.7Å; D126-R129 PolarHBondContact OD2-NH2 3.36Å |
| 130 | W | 48.2 | Very low | 56.7 | Low | 203 Ų | 203 | 134.5 Ų | 134.5 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | | | trans | -115.5 | 75.8 | 178.9 | -70.9 | 86.6 | 0 | 0 | 0 | 110.5 | P132 | W130-P132 VanDerWaalsContact C-CD 3.42Å; W130-P132 VanDerWaalsContact O-CD 3.26Å; W130-P132 WeakPolarHBondContact O-CD 3.41Å |
| 131 | Q | 56.4 | Low | 57.2 | Low | 160 Ų | 160 | 136.2 Ų | 136.2 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | | | trans | -103.5 | 86.7 | 158.9 | -73.3 | -70.7 | -31.7 | 0 | 0 | 107.4 | V133 | Q131-V133 VanDerWaalsContact C-N 3.25Å; Q131-V133 PolarHBondContact O-N 3.26Å |
| 132 | P | 55 | Low | 57.1 | Low | 109 Ų | 109 | 138.3 Ų | 138.3 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | | | trans | -67.2 | 96.9 | 165 | 27.9 | -28.6 | 0 | 0 | 0 | 106.5 | W130 W134 | W130-P132 VanDerWaalsContact C-CD 3.42Å; W130-P132 VanDerWaalsContact O-CD 3.26Å; W130-P132 WeakPolarHBondContact O-CD 3.41Å; P132-W134 PolarHBondContact O-N 3.02Å |
| 133 | V | 56.8 | Low | 58.1 | Low | 108 Ų | 108 | 138.7 Ų | 138.7 | 66% | 0.655 | 71% | 0.713 | S | S | * | * | | | trans | -63.5 | 94.2 | 167.2 | 175.7 | 0 | 0 | 0 | 0 | 105.8 | Q131 R135 | Q131-V133 VanDerWaalsContact C-N 3.25Å; Q131-V133 PolarHBondContact O-N 3.26Å; V133-R135 HydrophobicContact CG1-CG 3.92Å; V133-R135 PolarHBondContact O-N 3.42Å |
| 134 | W | 55.8 | Low | 58.4 | Low | 212 Ų | 212 | 138 Ų | 138 | 80% | 0.803 | 71% | 0.712 | S | S | * | * | | | trans | -62.4 | 109.7 | 174.2 | -170.8 | 84.8 | 0 | 0 | 0 | 107.5 | P132 P136 | P132-W134 PolarHBondContact O-N 3.02Å; W134-P136 HydrophobicContact CE3-CG 4.41Å; W134-P136 HydrophobicContact CH2-CB 3.72Å; W134-P136 HydrophobicContact CH2-CG 4.14Å; W134-P136 HydrophobicContact CZ2-CB 4.29Å; W134-P136 HydrophobicContact CZ3-CB 3.89Å; W134-P136 HydrophobicContact CZ3-CG 3.79Å |
| 135 | R | 63.6 | Low | 59.1 | Low | 209 Ų | 209 | 140.7 Ų | 140.7 | 79% | 0.789 | 72% | 0.718 | S | S | * | * | | | trans | -109.6 | 119.1 | 167.6 | -62.3 | -156.4 | -173.5 | -165.7 | 4.2 | 107 | V133 A137 | V133-R135 HydrophobicContact CG1-CG 3.92Å; V133-R135 PolarHBondContact O-N 3.42Å; R135-A137 PolarHBondContact O-N 3.45Å |
| 136 | P | 59.5 | Low | 59.4 | Low | 89 Ų | 89 | 143.2 Ų | 143.2 | 58% | 0.578 | 72% | 0.718 | S | S | * | * | | | trans | -61.4 | 126.1 | 172.4 | 22.7 | -27.4 | 0 | 0 | 0 | 108.3 | W134 | W134-P136 HydrophobicContact CE3-CG 4.41Å; W134-P136 HydrophobicContact CH2-CB 3.72Å; W134-P136 HydrophobicContact CH2-CG 4.14Å; W134-P136 HydrophobicContact CZ2-CB 4.29Å; W134-P136 HydrophobicContact CZ3-CB 3.89Å; W134-P136 HydrophobicContact CZ3-CG 3.79Å |
| 137 | A | 63.5 | Low | 59.7 | Low | 82 Ų | 82 | 148.3 Ų | 148.3 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | trans | -59.8 | 138.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | R135 S139 | R135-A137 PolarHBondContact O-N 3.45Å; A137-S139 VanDerWaalsContact C-N 3.35Å; A137-S139 PolarHBondContact O-N 3.09Å |
| 138 | P | 54.5 | Low | 60.1 | Low | 132 Ų | 132 | 152 Ų | 152 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | | | trans | -65.1 | 96 | 179.7 | 26.7 | -33.2 | 0 | 0 | 0 | 109 | | |
| 139 | S | 59 | Low | 59.9 | Low | 62 Ų | 62 | 150.1 Ų | 150.1 | 43% | 0.434 | 74% | 0.738 | S | S | . | * | | | trans | -77.6 | 129.6 | 173.4 | 49.1 | 0 | 0 | 0 | 0 | 108.5 | A137 L141 W142 | A137-S139 VanDerWaalsContact C-N 3.35Å; A137-S139 PolarHBondContact O-N 3.09Å; S139-L141 PolarHBondContact O-N 3.47Å; S139-W142 PolarHBondContact O-N 3.18Å |
| 140 | K | 63.2 | Low | 59.8 | Low | 205 Ų | 205 | 147.6 Ų | 147.6 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -2.6 | 179 | -70.9 | 178.4 | 177.7 | 176.3 | 0 | 114.1 | | |
| 141 | L | 64.9 | Low | 59.9 | Low | 156 Ų | 156 | 141.3 Ų | 141.3 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -19.8 | 178.9 | -61.7 | 177.4 | 0 | 0 | 0 | 112.9 | S139 | S139-L141 PolarHBondContact O-N 3.47Š|
| 142 | W | 52 | Low | 59.5 | Low | 211 Ų | 211 | 137.5 Ų | 137.5 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | | | trans | -110.7 | 78.5 | 177 | -61.2 | 92.9 | 0 | 0 | 0 | 108.9 | S139 P144 | S139-W142 PolarHBondContact O-N 3.18Å; W142-P144 VanDerWaalsContact O-CD 3.23Å; W142-P144 WeakPolarHBondContact O-CD 3.4Å |
| 143 | T | 71.3 | Confident | 59.2 | Low | 115 Ų | 115 | 136.5 Ų | 136.5 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -75.7 | 114.2 | 166.6 | -33.7 | 0 | 0 | 0 | 0 | 106.7 | I145 | T143-I145 PolarHBondContact O-N 3.29Š|
| 144 | P | 64.1 | Low | 58.5 | Low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | | | trans | -61.5 | 116 | 174.9 | 24.3 | -31.4 | 0 | 0 | 0 | 107.9 | W142 K146 | W142-P144 VanDerWaalsContact O-CD 3.23Å; W142-P144 WeakPolarHBondContact O-CD 3.4Å; P144-K146 PolarHBondContact O-N 3.46Å |
| 145 | I | 65.9 | Low | 57.9 | Low | 164 Ų | 164 | 128.3 Ų | 128.3 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | | | trans | -63.8 | 109 | 176 | -61.5 | 172.2 | 0 | 0 | 0 | 106.3 | T143 H147 | T143-I145 PolarHBondContact O-N 3.29Å; I145-H147 PolarHBondContact O-N 2.96Å |
| 146 | K | 68.1 | Low | 56.9 | Low | 197 Ų | 197 | 124.8 Ų | 124.8 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | | | trans | -66.5 | 102 | 171.6 | -71.5 | -176.2 | 177.4 | 179.8 | 0 | 107.2 | P144 R148 | P144-K146 PolarHBondContact O-N 3.46Å; K146-R148 PolarHBondContact O-N 2.85Å |
| 147 | H | 63.2 | Low | 56.3 | Low | 170 Ų | 170 | 129.8 Ų | 129.8 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | | | trans | -62.1 | 105.7 | 164.5 | -170.8 | -98.5 | 0 | 0 | 0 | 106.7 | I145 G149 | I145-H147 PolarHBondContact O-N 2.96Å; H147-G149 PolarHBondContact O-N 3Å |
| 148 | R | 64 | Low | 55.4 | Low | 225 Ų | 225 | 131.7 Ų | 131.7 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | | | trans | -64 | 94.9 | 165.6 | 179.2 | -176.3 | -85.3 | -93.9 | 5.7 | 105 | K146 S150 | K146-R148 PolarHBondContact O-N 2.85Å; R148-S150 PolarHBondContact O-N 3.08Å |
| 149 | G | 50.9 | Low | 54.9 | Low | 51 Ų | 51 | 131 Ų | 131 | 53% | 0.526 | 78% | 0.781 | S | S | . | * | | | trans | -52.5 | 125.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | H147 G151 | H147-G149 PolarHBondContact O-N 3Å; G149-G151 PolarHBondContact O-N 3.09Å |
| 150 | S | 56 | Low | 54 | Low | 130 Ų | 130 | 136.6 Ų | 136.6 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | -63.7 | 78.9 | 169 | -70.6 | 0 | 0 | 0 | 0 | 108.9 | R148 | R148-S150 PolarHBondContact O-N 3.08Š|
| 151 | G | 50.4 | Low | 52.8 | Low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | trans | -93.9 | 107 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | G149 | G149-G151 PolarHBondContact O-N 3.09Š|
| 152 | G | 48.1 | Very low | 51.5 | Low | 81 Ų | 81 | 133.4 Ų | 133.4 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | -63.5 | 153.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 153 | G | 49 | Very low | 51.2 | Low | 87 Ų | 87 | 128.8 Ų | 128.8 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | 102.4 | 112.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 154 | G | 41.6 | Very low | 49.9 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | 142.8 | 78.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 155 | G | 42.3 | Very low | 48.8 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | 64.4 | 142.9 | 138.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | Q157 | G155-Q157 PolarHBondContact O-N 2.97Š|
| 156 | P | 43.8 | Very low | 47.6 | Very low | 135 Ų | 135 | 138 Ų | 138 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75 | 117.8 | 171 | 29.8 | -29.2 | 0 | 0 | 0 | 110.4 | | |
| 157 | Q | 45.5 | Very low | 46.1 | Very low | 195 Ų | 195 | 134.8 Ų | 134.8 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 131.3 | 163.9 | -87 | -156.3 | 17.3 | 0 | 0 | 110.9 | G155 | G155-Q157 PolarHBondContact O-N 2.97Š|
| 158 | V | 46.1 | Very low | 44.9 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 143 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | H160 | V158-H160 PolarHBondContact O-N 2.73Š|
| 159 | P | 44.6 | Very low | 43.6 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | trans | -80 | 108 | 179.3 | 30.9 | -30.8 | 0 | 0 | 0 | 110.8 | | |
| 160 | H | 38.3 | Very low | 43.1 | Very low | 179 Ų | 179 | 131.9 Ų | 131.9 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | | | trans | -87.4 | 107.4 | 164.6 | -119.9 | -80.5 | 0 | 0 | 0 | 109.4 | V158 | V158-H160 PolarHBondContact O-N 2.73Š|
| 161 | Q | 39.8 | Very low | 42.4 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -68.9 | 132.3 | 162.5 | -63.1 | -167.8 | 66.1 | 0 | 0 | 108.7 | | |
| 162 | S | 37.4 | Very low | 41.8 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | trans | -145.4 | 148.7 | 157.5 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 163 | P | 45.6 | Very low | 41.5 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 75% | 0.747 | 82% | 0.823 | S | S | * | * | | | trans | -85.5 | 166.7 | -159.5 | -5.2 | 25.1 | 0 | 0 | 0 | 113.5 | K165 | P163-K165 PolarHBondContact O-N 2.89Š|
| 164 | P | 43.5 | Very low | 40.7 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | | | trans | -77.8 | 111.6 | -169.2 | 31.2 | -33.1 | 0 | 0 | 0 | 112 | | |
| 165 | K | 40.3 | Very low | 40.5 | Very low | 201 Ų | 201 | 151.1 Ų | 151.1 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | -100.9 | 107.6 | 162.3 | -75.5 | -176.3 | 178.6 | 177.8 | 0 | 109.7 | P163 V167 | P163-K165 PolarHBondContact O-N 2.89Å; K165-V167 PolarHBondContact O-N 3.14Å |
| 166 | R | 42.1 | Very low | 40.5 | Very low | 250 Ų | 250 | 153.8 Ų | 153.8 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | | | trans | -55.8 | 116.7 | 160.1 | -93.5 | -172.7 | -82.7 | 167.3 | -7.9 | 108.9 | | |
| 167 | V | 36.6 | Very low | 40 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | | | trans | -138.5 | 112.8 | 156.3 | 174.7 | 0 | 0 | 0 | 0 | 108.7 | K165 | K165-V167 PolarHBondContact O-N 3.14Š|
| 168 | S | 37.6 | Very low | 39.6 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | -67.8 | 132.4 | 157.8 | 174.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 169 | S | 36.5 | Very low | 39.2 | Very low | 90 Ų | 90 | 147.9 Ų | 147.9 | 63% | 0.629 | 82% | 0.817 | S | S | * | * | | | trans | 171.2 | 99.5 | 145.1 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | R171 | S169-R171 PolarHBondContact O-N 3.05Š|
| 170 | L | 40.6 | Very low | 38.9 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | | | trans | -72.3 | 104.9 | 158.5 | -81.1 | 162 | 0 | 0 | 0 | 108.8 | | |
| 171 | R | 41.1 | Very low | 38.8 | Very low | 206 Ų | 206 | 148.5 Ų | 148.5 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | | | trans | -148.6 | 102.9 | 163.3 | -73.6 | -68.8 | -164.6 | 108.7 | 3.5 | 109.4 | S169 | S169-R171 PolarHBondContact O-N 3.05Š|
| 172 | F | 38.2 | Very low | 38.5 | Very low | 202 Ų | 202 | 146 Ų | 146 | 89% | 0.886 | 83% | 0.825 | S | S | * | * | | | trans | -145.3 | 95.9 | 150.8 | -72.2 | -71.9 | 0 | 0 | 0 | 105.4 | | |
| 173 | L | 42.1 | Very low | 38.3 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | | 67.6 | 122.9 | 91.8 | -71.6 | 176.9 | 0 | 0 | 0 | 113.1 | | |
| 174 | Q | 32 | Very low | 37.8 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | -81.3 | 134.3 | -176 | 169.8 | 177.2 | -35.1 | 0 | 0 | 110.9 | | |
| 175 | A | 35.7 | Very low | 37.6 | Very low | 89 Ų | 89 | 145.7 Ų | 145.7 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | | | trans | 65.9 | 157.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 176 | P | 43.2 | Very low | 37.4 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | | | cis | -137.4 | 165.9 | 29 | 37 | -15.6 | 0 | 0 | 0 | 118.6 | | |
| 177 | S | 34.2 | Very low | 37 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -44.3 | 138.8 | 169 | -54.3 | 0 | 0 | 0 | 0 | 116 | | |
| 178 | A | 35.4 | Very low | 37.1 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | | | trans | -154.5 | 101.5 | 143.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 179 | S | 38.8 | Very low | 36.9 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | | 51.5 | 92 | 95.5 | -176.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 180 | S | 37.7 | Very low | 37 | Very low | 122 Ų | 122 | 146 Ų | 146 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -153.6 | 101 | 146.1 | -60.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 181 | Q | 36.7 | Very low | 37.4 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | | | trans | -70.6 | 131.1 | 165.4 | -66 | 172.6 | 7 | 0 | 0 | 108.4 | | |
| 182 | C | 32.5 | Very low | 37.7 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 90% | 0.899 | 81% | 0.809 | S | S | * | * | | | trans | -153 | 128.6 | 144.6 | -110.1 | 0 | 0 | 0 | 0 | 110 | | |
| 183 | V | 34.4 | Very low | 38.2 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | trans | -63.2 | 144.2 | -173.8 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | A185 | V183-A185 PolarHBondContact O-N 2.91Š|
| 184 | P | 35.7 | Very low | 38.4 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | -79.9 | 114.6 | 175 | 30.9 | -30.1 | 0 | 0 | 0 | 110.5 | | |
| 185 | A | 38.8 | Very low | 38.7 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -77.6 | 126.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | V183 R187 | V183-A185 PolarHBondContact O-N 2.91Å; A185-R187 PolarHBondContact O-N 2.85Å |
| 186 | H | 36.1 | Very low | 38.9 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 89% | 0.889 | 81% | 0.811 | S | S | * | * | | | trans | -55.8 | 114 | 173.8 | -73.1 | -95.7 | 0 | 0 | 0 | 111.6 | | |
| 187 | R | 33.2 | Very low | 38.8 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 75% | 0.751 | 81% | 0.808 | S | S | * | * | | | trans | -146.5 | 121.9 | 146 | -123 | -162.8 | -152.6 | -167.5 | 10.3 | 109.6 | A185 Y189 | A185-R187 PolarHBondContact O-N 2.85Å; R187-Y189 PolarHBondContact O-N 3.49Å |
| 188 | P | 39.3 | Very low | 39.2 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -82.1 | 105.1 | 168.7 | 31.3 | -28.3 | 0 | 0 | 0 | 109.2 | | |
| 189 | Y | 32 | Very low | 39.2 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 71% | 0.71 | 81% | 0.813 | S | S | * | * | | | trans | -91.8 | 110.3 | 152 | -98 | -91.6 | 0 | 0 | 0 | 104.7 | R187 | R187-Y189 PolarHBondContact O-N 3.49Š|
| 190 | S | 39.9 | Very low | 39 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | | | | 117.9 | 149.1 | 62.6 | 57.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 191 | P | 49.3 | Very low | 38.8 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | | | trans | -94.2 | 163.1 | -137.1 | 36.3 | -35.6 | 0 | 0 | 0 | 114.1 | F193 | P191-F193 PolarHBondContact O-N 2.62Š|
| 192 | P | 45.6 | Very low | 38.5 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -72.3 | 116.8 | 168.9 | 30.3 | -30.9 | 0 | 0 | 0 | 110.2 | F194 | P192-F194 PolarHBondContact O-N 3.45Š|
| 193 | F | 49.3 | Very low | 38.5 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 23.3 | 90.1 | 142.4 | -135.4 | -95.9 | 0 | 0 | 0 | 116.7 | P191 | P191-F193 PolarHBondContact O-N 2.62Š|
| 194 | F | 46.7 | Very low | 38.3 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | 162.3 | 80.2 | 146 | -88.7 | -66.4 | 0 | 0 | 0 | 108 | P192 | P192-F194 PolarHBondContact O-N 3.45Š|
| 195 | S | 38.4 | Very low | 38.6 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -161.3 | 77.1 | 164.7 | -75.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 196 | L | 40 | Very low | 38.1 | Very low | 174 Ų | 174 | 145.9 Ų | 145.9 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | -106.9 | 137.6 | 158.4 | -73.9 | 174 | 0 | 0 | 0 | 107 | | |
| 197 | A | 40.1 | Very low | 37.9 | Very low | 91 Ų | 91 | 141.6 Ų | 141.6 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | 70.8 | 114.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 198 | L | 43.2 | Very low | 37.9 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | cis | -142.8 | 93.7 | 46.9 | -68.2 | 157.2 | 0 | 0 | 0 | 110.1 | | |
| 199 | A | 34.5 | Very low | 37.6 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -106.1 | 87.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | D201 | A199-D201 PolarHBondContact O-N 2.77Š|
| 200 | Q | 35.3 | Very low | 38.7 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -82 | 102.2 | 175.5 | -160 | 166.1 | 3.5 | 0 | 0 | 107.1 | S202 | Q200-S202 PolarHBondContact O-N 3.22Š|
| 201 | D | 33.5 | Very low | 38.4 | Very low | 155 Ų | 155 | 137 Ų | 137 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | trans | -79.1 | 105.1 | 168.5 | -158.3 | 6.6 | 0 | 0 | 0 | 107 | A199 | A199-D201 PolarHBondContact O-N 2.77Š|
| 202 | S | 31.4 | Very low | 37.6 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | | | trans | -132.6 | 95.7 | 162.2 | 65.8 | 0 | 0 | 0 | 0 | 109.7 | Q200 | Q200-S202 PolarHBondContact O-N 3.22Š|
| 203 | S | 31.7 | Very low | 36.9 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | | | trans | -79.4 | 143.7 | 160.4 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 204 | R | 31.3 | Very low | 36 | Very low | 234 Ų | 234 | 130.7 Ų | 130.7 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | 108.6 | 154.2 | 153 | -107.5 | -174.1 | 137.8 | 165 | -4.7 | 118.8 | | |
| 205 | P | 40.6 | Very low | 35.4 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | | | | -127.9 | 164.8 | -102.9 | 40.5 | -23.4 | 0 | 0 | 0 | 116 | | |
| 206 | C | 28.9 | Very low | 35 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | | | trans | 53.7 | 144 | 145.3 | -70.3 | 0 | 0 | 0 | 0 | 124.4 | | |
| 207 | A | 31.9 | Very low | 34.8 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | 83.5 | 126.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 208 | A | 33.2 | Very low | 34.4 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | cis | -155.1 | 146.7 | 9.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 209 | S | 33.7 | Very low | 34.3 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -59.4 | -179.4 | 161.1 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 210 | P | 54.3 | Low | 34.4 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | cis | -133.4 | -179.1 | 12.6 | 38.3 | -15.6 | 0 | 0 | 0 | 112.8 | | |
| 211 | Q | 33.6 | Very low | 34.3 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | cis | 179.7 | 137.6 | 47.2 | -149 | 169 | 64.5 | 0 | 0 | 108.6 | | |
| 212 | S | 32.5 | Very low | 34.3 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | | 168.6 | 130.8 | 121.9 | -165 | 0 | 0 | 0 | 0 | 109.1 | | |
| 213 | G | 31 | Very low | 34.8 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | trans | -81 | 172.9 | -159.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 214 | S | 30.4 | Very low | 35.5 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | | 172.9 | 136.4 | 97.7 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 215 | W | 33.2 | Very low | 35.7 | Very low | 222 Ų | 222 | 126 Ų | 126 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | 49.6 | 106.6 | 150.5 | 79 | -53.8 | 0 | 0 | 0 | 120.9 | | |
| 216 | E | 30.5 | Very low | 36.3 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | | | | 72.2 | 105.6 | 91.8 | -84.7 | -97.4 | 125.5 | 0 | 0 | 114.9 | | |
| 217 | S | 35.7 | Very low | 36.9 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | | 176.8 | 120.1 | 115.3 | -75.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 218 | D | 32.4 | Very low | 37.4 | Very low | 158 Ų | 158 | 131 Ų | 131 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -65.8 | 147.8 | 179.7 | -79.4 | -48.5 | 0 | 0 | 0 | 113.9 | | |
| 219 | A | 40.8 | Very low | 37.9 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | trans | -63 | 157.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 220 | E | 36.7 | Very low | 38.3 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | | 165.4 | 146.9 | 82.9 | -150 | 116.5 | 97.7 | 0 | 0 | 103.5 | | |
| 221 | S | 32.8 | Very low | 37.7 | Very low | 90 Ų | 90 | 147 Ų | 147 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | | | | 165.2 | 152.8 | 77.1 | 73.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 222 | L | 34.1 | Very low | 37.7 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | | | trans | 78.1 | 106.8 | 151 | -52.6 | 177.7 | 0 | 0 | 0 | 121.4 | | |
| 223 | S | 40.6 | Very low | 38.1 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | | 124.7 | 153.7 | 115.9 | 92.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 224 | P | 47.2 | Very low | 38.3 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | | | trans | -105.4 | 140.7 | -156.3 | 37.5 | -27.5 | 0 | 0 | 0 | 112.8 | | |
| 225 | C | 35.5 | Very low | 38.8 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | | | trans | -160.1 | 140.4 | 158.4 | -96 | 0 | 0 | 0 | 0 | 111.6 | | |
| 226 | P | 52.5 | Low | 38.8 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | -91.5 | 145.8 | 179.1 | 36.3 | -30.2 | 0 | 0 | 0 | 110.6 | | |
| 227 | P | 42.8 | Very low | 39.3 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | | | trans | -101.1 | 113.6 | 166.1 | 29.8 | -23.8 | 0 | 0 | 0 | 111.8 | R229 | P227-R229 PolarHBondContact O-N 3.2Š|
| 228 | Q | 42.9 | Very low | 39.1 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | | | trans | -58.1 | 127.3 | 156.9 | -75.8 | 172.9 | -56.6 | 0 | 0 | 110.7 | | |
| 229 | R | 42.3 | Very low | 39.7 | Very low | 220 Ų | 220 | 142.4 Ų | 142.4 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | | | trans | 17.9 | 110 | 131.1 | -157 | -167.3 | -55.4 | 164.3 | 2.9 | 116.3 | P227 | P227-R229 PolarHBondContact O-N 3.2Š|
| 230 | R | 42.1 | Very low | 39.5 | Very low | 245 Ų | 245 | 147.9 Ų | 147.9 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | | | trans | -160.3 | 133.8 | 137.2 | -108.9 | 165.2 | -172.1 | -121.1 | 2.3 | 112.6 | | |
| 231 | F | 42 | Very low | 39.3 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | -77 | 139 | 177.3 | -73 | -99.3 | 0 | 0 | 0 | 110.9 | | |
| 232 | S | 34.6 | Very low | 39.3 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | | | trans | -164.6 | 122.1 | 143.8 | 47.1 | 0 | 0 | 0 | 0 | 111 | | |
| 233 | L | 39.7 | Very low | 39.4 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | | | trans | -90.2 | 139.5 | 171.9 | -67.4 | 164.3 | 0 | 0 | 0 | 109.1 | | |
| 234 | S | 34.7 | Very low | 39.1 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | 176.6 | 135 | 140.4 | -76.6 | 0 | 0 | 0 | 0 | 111 | | |
| 235 | P | 42.2 | Very low | 38.8 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | | | trans | -111.1 | 124.9 | 152.4 | 5.7 | 15 | 0 | 0 | 0 | 110.5 | | |
| 236 | S | 33.4 | Very low | 39.3 | Very low | 122 Ų | 122 | 150 Ų | 150 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -77.4 | 129.3 | 171.3 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 237 | L | 39.8 | Very low | 38.3 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | | | trans | -66.6 | 139.1 | 170.1 | -131.5 | 81.1 | 0 | 0 | 0 | 110.9 | | |
| 238 | G | 32.1 | Very low | 37.8 | Very low | 73 Ų | 73 | 148 Ų | 148 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | -131.5 | 128 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 239 | P | 46 | Very low | 37.3 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | -108.1 | 159.2 | -170 | 39 | -31.1 | 0 | 0 | 0 | 113.8 | | |
| 240 | Q | 34.8 | Very low | 37 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | | | trans | 123.2 | 146.7 | 160.4 | -84.5 | -140.9 | 37 | 0 | 0 | 113 | | |
| 241 | A | 33.6 | Very low | 36.7 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 57% | 0.57 | 81% | 0.809 | S | S | * | * | | | cis | -177.5 | 143.4 | -18.9 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 242 | S | 33.2 | Very low | 36.7 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | 59.8 | 114.2 | 140.7 | -144.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 243 | R | 34.6 | Very low | 36.8 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | | 169.1 | 151.3 | 85.5 | -77.3 | -179.6 | -83.1 | -154 | 0.2 | 110.5 | | |
| 244 | F | 34.6 | Very low | 36.4 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | 86.7 | 107.7 | 156.7 | -48.8 | -64.1 | 0 | 0 | 0 | 119.7 | | |
| 245 | L | 40.4 | Very low | 36.6 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | trans | -104.8 | 166.9 | 136.9 | -64.5 | 175.7 | 0 | 0 | 0 | 106.7 | | |
| 246 | P | 46.3 | Very low | 36.8 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | | | cis | -139.4 | -173.2 | 13 | 38.9 | -17.9 | 0 | 0 | 0 | 115.3 | | |
| 247 | S | 31.3 | Very low | 37.1 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | 105.2 | 120.8 | 146.9 | -72.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 248 | A | 33.8 | Very low | 37.4 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | 77.4 | 122.4 | 132.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 249 | R | 32.1 | Very low | 37.9 | Very low | 240 Ų | 240 | 134.4 Ų | 134.4 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | trans | 94.2 | 133 | 136.4 | -115.9 | 172.3 | 168 | -162.7 | -4.8 | 117.6 | | |
| 250 | S | 34.7 | Very low | 37.8 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | 67 | 101 | 158.1 | 49.8 | 0 | 0 | 0 | 0 | 118.2 | P252 | S250-P252 WeakPolarHBondContact O-CD 3.28Š|
| 251 | S | 36.6 | Very low | 38.3 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -68.6 | 132.5 | 150.9 | -52.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 252 | P | 43.1 | Very low | 39.1 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -118.5 | 156.2 | 141.1 | 34.9 | -25.7 | 0 | 0 | 0 | 110.8 | S250 | S250-P252 WeakPolarHBondContact O-CD 3.28Š|
| 253 | A | 35.8 | Very low | 39.6 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -54 | 135.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 254 | S | 32.2 | Very low | 40.4 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | | 172.1 | 137.2 | 128.8 | 64.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 255 | S | 37.6 | Very low | 41 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -118.1 | 110.4 | 171.3 | -168.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 256 | P | 47.6 | Very low | 41.5 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | | | trans | -99.8 | 121.1 | 160.8 | 32 | -24.5 | 0 | 0 | 0 | 110.4 | | |
| 257 | E | 38.5 | Very low | 41.9 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | | | trans | 36.7 | 111.6 | 137.7 | -56.1 | -171.9 | 162.4 | 0 | 0 | 120.8 | | |
| 258 | L | 46.4 | Very low | 43.4 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 71% | 0.707 | 82% | 0.817 | S | S | * | * | | | trans | -2.3 | 141 | 147.3 | -52.8 | 172.4 | 0 | 0 | 0 | 119.7 | W260 | L258-W260 VanDerWaalsContact CD1-NE1 3.26Š|
| 259 | P | 43.5 | Very low | 44.4 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | | | | -131 | 106.1 | 122.5 | 32.8 | -22.1 | 0 | 0 | 0 | 112.5 | R261 | P259-R261 PolarHBondContact O-N 2.8Š|
| 260 | W | 42.7 | Very low | 45.5 | Very low | 211 Ų | 211 | 151.5 Ų | 151.5 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | | | trans | -68.8 | 125.7 | 165.5 | -64.4 | 82.4 | 0 | 0 | 0 | 109.5 | L258 | L258-W260 VanDerWaalsContact CD1-NE1 3.26Š|
| 261 | R | 45.1 | Very low | 46.5 | Very low | 234 Ų | 234 | 151.1 Ų | 151.1 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | trans | -117.7 | 125.4 | 158.8 | -73.1 | -65.9 | -110.2 | -98.3 | 1.6 | 110.1 | P259 | P259-R261 PolarHBondContact O-N 2.8Š|
| 262 | P | 50.4 | Low | 47.7 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | | | trans | -97.4 | 113.1 | -178.5 | 34.5 | -27.2 | 0 | 0 | 0 | 110 | | |
| 263 | R | 45 | Very low | 48.6 | Very low | 245 Ų | 245 | 156 Ų | 156 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | | | trans | -142.4 | 103.3 | 167 | -78.5 | -82.8 | -103.5 | -85.5 | -11.8 | 110.1 | | |
| 264 | G | 49.8 | Very low | 49.9 | Very low | 70 Ų | 70 | 158.5 Ų | 158.5 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | 101 | 66.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 265 | L | 48.3 | Very low | 51 | Low | 168 Ų | 168 | 158.8 Ų | 158.8 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -142.8 | 106.1 | 138.8 | -75.5 | -179.4 | 0 | 0 | 0 | 108.7 | | |
| 266 | R | 51.3 | Low | 51.9 | Low | 239 Ų | 239 | 157.2 Ų | 157.2 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | 27.5 | 108.7 | 148.8 | -60.1 | -178.6 | -175.5 | -112.9 | 0.2 | 116.3 | L268 | R266-L268 PolarHBondContact O-N 2.77Š|
| 267 | N | 55.2 | Low | 52.3 | Low | 170 Ų | 170 | 159.8 Ų | 159.8 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -39 | 102.3 | 162.2 | -56 | -44.7 | 0 | 0 | 0 | 112 | | |
| 268 | L | 62.7 | Low | 53.5 | Low | 144 Ų | 144 | 157.9 Ų | 157.9 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -114.7 | 125.2 | 149 | -147.7 | 75 | 0 | 0 | 0 | 104.5 | R266 R270 | R266-L268 PolarHBondContact O-N 2.77Å; L268-R270 PolarHBondContact O-N 3.27Å |
| 269 | P | 53.9 | Low | 54 | Low | 126 Ų | 126 | 159.1 Ų | 159.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -66.7 | 87.7 | 169.4 | 27.8 | -30.3 | 0 | 0 | 0 | 106.9 | S271 | P269-S271 PolarHBondContact O-N 2.93Å; P269-S271 VanDerWaalsContact O-N 3.08Å |
| 270 | R | 55.8 | Low | 54.8 | Low | 217 Ų | 217 | 157.5 Ų | 157.5 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | | | trans | -68.6 | 108.2 | 171.7 | -166.3 | 169.5 | -173.7 | 89.1 | -0.6 | 105.3 | L268 R272 | L268-R270 PolarHBondContact O-N 3.27Å; R270-R272 PolarHBondContact O-N 3.05Å |
| 271 | S | 55.1 | Low | 55.6 | Low | 99 Ų | 99 | 158.9 Ų | 158.9 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | | | trans | -44.7 | 112.8 | 174.4 | 49.1 | 0 | 0 | 0 | 0 | 109 | P269 S273 | P269-S271 PolarHBondContact O-N 2.93Å; P269-S271 VanDerWaalsContact O-N 3.08Å; S271-S273 PolarHBondContact O-N 3.27Å |
| 272 | R | 61.2 | Low | 56.3 | Low | 247 Ų | 247 | 157 Ų | 157 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | | | trans | -70.5 | 80.5 | 171.4 | -74.5 | -175.7 | 166.1 | -151.2 | -2.4 | 108 | R270 Q274 | R270-R272 PolarHBondContact O-N 3.05Å; R272-Q274 VanDerWaalsContact C-N 3.34Å; R272-Q274 PolarHBondContact O-N 3.31Å; R272-Q274 VanDerWaalsContact O-N 3.09Å |
| 273 | S | 63.3 | Low | 56.5 | Low | 101 Ų | 101 | 157.8 Ų | 157.8 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -75.2 | 93.2 | 165.3 | 53.1 | 0 | 0 | 0 | 0 | 108.6 | S271 | S271-S273 PolarHBondContact O-N 3.27Š|
| 274 | Q | 62.2 | Low | 57.1 | Low | 154 Ų | 154 | 149.5 Ų | 149.5 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | 54.2 | 143.1 | 148.5 | -62.1 | -170.7 | -28.4 | 0 | 0 | 121.5 | R272 | R272-Q274 VanDerWaalsContact C-N 3.34Å; R272-Q274 PolarHBondContact O-N 3.31Å; R272-Q274 VanDerWaalsContact O-N 3.09Å |
| 275 | P | 54.7 | Low | 57.8 | Low | 119 Ų | 119 | 152.5 Ų | 152.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -94.8 | 122.2 | 133.9 | 32.2 | -21.6 | 0 | 0 | 0 | 109.4 | D277 | P275-D277 PolarHBondContact O-N 2.86Š|
| 276 | C | 58.3 | Low | 58.8 | Low | 91 Ų | 91 | 153.4 Ų | 153.4 | 62% | 0.615 | 80% | 0.799 | S | S | * | * | | | trans | -76.9 | 99.8 | 161.3 | -62.3 | 0 | 0 | 0 | 0 | 107.5 | L278 | C276-L278 PolarHBondContact O-N 3.21Š|
| 277 | D | 55.7 | Low | 59.6 | Low | 160 Ų | 160 | 152.7 Ų | 152.7 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | trans | -79.1 | 76.5 | 161.3 | -100.4 | -16.1 | 0 | 0 | 0 | 108.1 | P275 | P275-D277 PolarHBondContact O-N 2.86Š|
| 278 | L | 62.2 | Low | 59.8 | Low | 144 Ų | 144 | 156 Ų | 156 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | trans | -100 | 92 | 160.2 | -68 | 175.6 | 0 | 0 | 0 | 106.1 | C276 | C276-L278 PolarHBondContact O-N 3.21Š|
| 279 | D | 57.6 | Low | 59.9 | Low | 160 Ų | 160 | 156.1 Ų | 156.1 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | 167.1 | 99.8 | 130.9 | -84.1 | -24.5 | 0 | 0 | 0 | 110.7 | | |
| 280 | A | 59.4 | Low | 60.2 | Low | 91 Ų | 91 | 156.7 Ų | 156.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -162.9 | 102.3 | 134.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 281 | R | 60.6 | Low | 60.5 | Low | 240 Ų | 240 | 150.3 Ų | 150.3 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 93.6 | 104.3 | 151.3 | -54.1 | 171.4 | 142.2 | -112.4 | -13.7 | 116.2 | | |
| 282 | K | 58.8 | Low | 60.8 | Low | 194 Ų | 194 | 149.2 Ų | 149.2 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | | | trans | 92.2 | 86.3 | 153.5 | -66.7 | -172.7 | 171.5 | -170.9 | 0 | 117.8 | | |
| 283 | T | 56.2 | Low | 60.7 | Low | 134 Ų | 134 | 143.4 Ų | 143.4 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | | | | 31.3 | 92.7 | 118.8 | 29.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 284 | G | 57.8 | Low | 60.5 | Low | 72 Ų | 72 | 148.6 Ų | 148.6 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | | | trans | -91.8 | 116.3 | 133.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | K286 | G284-K286 VanDerWaalsContact C-N 3.35Å; G284-K286 PolarHBondContact O-N 3.41Å |
| 285 | V | 64.1 | Low | 60.3 | Low | 132 Ų | 132 | 147.3 Ų | 147.3 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | | | trans | -57.4 | 102.4 | 167.2 | 173 | 0 | 0 | 0 | 0 | 106.7 | R287 | V285-R287 PolarHBondContact O-N 2.86Š|
| 286 | K | 68.9 | Low | 60.8 | Low | 188 Ų | 188 | 149.7 Ų | 149.7 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | | | trans | -64.1 | 104.1 | 169.2 | -170.7 | 171.5 | -179.2 | 179.3 | 0 | 105.4 | G284 R288 | G284-K286 VanDerWaalsContact C-N 3.35Å; G284-K286 PolarHBondContact O-N 3.41Å; K286-R288 PolarHBondContact O-N 3.3Å |
| 287 | R | 67 | Low | 61.2 | Low | 224 Ų | 224 | 152.3 Ų | 152.3 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | trans | -50.3 | 133.9 | 167.1 | -66.4 | -172.5 | -179.2 | 110 | -1 | 106.4 | V285 H289 | V285-R287 PolarHBondContact O-N 2.86Å; R287-H289 PolarHBondContact O-N 3.2Å |
| 288 | R | 59.8 | Low | 62 | Low | 239 Ų | 239 | 150.7 Ų | 150.7 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | | | trans | -51 | 106.6 | 176.6 | -70.4 | -173.6 | 165.3 | 141.5 | -2.3 | 108.4 | K286 E290 | K286-R288 PolarHBondContact O-N 3.3Å; R288-E290 PolarHBondContact O-N 3.36Å |
| 289 | H | 65.5 | Low | 62.5 | Low | 147 Ų | 147 | 149 Ų | 149 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | | | trans | -92.9 | 75.2 | 156.8 | -173.2 | -91.4 | 0 | 0 | 0 | 106.1 | R287 E291 | R287-H289 PolarHBondContact O-N 3.2Å; H289-E291 VanDerWaalsContact C-N 3.32Å; H289-E291 VanDerWaalsContact CE1-CG 3.45Å; H289-E291 WeakPolarHBondContact CE1-CG 3.27Å; H289-E291 PolarHBondContact O-N 2.92Å |
| 290 | E | 60.8 | Low | 63.7 | Low | 137 Ų | 137 | 147 Ų | 147 | 64% | 0.64 | 73% | 0.727 | S | S | * | * | | | trans | -82.7 | 88.1 | 171.5 | -133.9 | -86.3 | 167.2 | 0 | 0 | 105.9 | R288 | R288-E290 PolarHBondContact O-N 3.36Š|
| 291 | E | 61.9 | Low | 64.7 | Low | 84 Ų | 84 | 146.6 Ų | 146.6 | 39% | 0.393 | 71% | 0.712 | S | S | . | * | | | trans | -107.8 | 90.4 | 154.9 | -71.9 | -134.6 | 134 | 0 | 0 | 107.5 | H289 R295 R297 | H289-E291 VanDerWaalsContact C-N 3.32Å; H289-E291 VanDerWaalsContact CE1-CG 3.45Å; H289-E291 WeakPolarHBondContact CE1-CG 3.27Å; H289-E291 PolarHBondContact O-N 2.92Å; E291-R295 VanDerWaalsContact OE1-CD 3.27Å; E291-R295 WeakPolarHBondContact OE1-CD 3.45Å; E291-R295 IonicContact OE1-CZ 3.67Å; E291-R295 IonicContact OE1-NE 3.84Å; E291-R295 IonicContact OE1-NH1 2.77Å; E291-R295 PolarHBondContact OE1-NH1 2.97Å; E291-R297 IonicContact OE1-CZ 3.46Å; E291-R297 IonicContact OE1-NH1 2.62Å; E291-R297 PolarHBondContact OE1-NH1 3.18Å; E291-R297 IonicContact OE1-NH2 3.45Å; E291-R297 PolarHBondContact OE1-NH2 3.01Å; E291-R297 IonicContact OE2-NH1 3.92Å |
| 292 | D | 60.1 | Low | 65.8 | Low | 75 Ų | 75 | 141.2 Ų | 141.2 | 40% | 0.401 | 70% | 0.695 | S | S | . | * | | | trans | -42.8 | 133.2 | 162.3 | -178.8 | 25 | 0 | 0 | 0 | 111 | R294 | D292-R294 PolarHBondContact O-N 2.85Š|
| 293 | P | 59.6 | Low | 66.6 | Low | 126 Ų | 126 | 137.8 Ų | 137.8 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 15.9 | -166.4 | -21.2 | 35.1 | 0 | 0 | 0 | 118 | | |
| 294 | R | 59.9 | Low | 67.6 | Low | 210 Ų | 210 | 138.9 Ų | 138.9 | 79% | 0.792 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 5.3 | 177.2 | -70.8 | -170.3 | 177.2 | 85.2 | -1.6 | 114.3 | D292 L296 | D292-R294 PolarHBondContact O-N 2.85Å; R294-L296 PolarHBondContact O-N 3.14Å |
| 295 | R | 57.3 | Low | 68.6 | Low | 127 Ų | 127 | 140.7 Ų | 140.7 | 48% | 0.479 | 67% | 0.67 | S | S | . | * | | | trans | -75.7 | 69.5 | -179.1 | -71.5 | -175 | 160.1 | 173.5 | 5.3 | 112.1 | E291 R297 | E291-R295 VanDerWaalsContact OE1-CD 3.27Å; E291-R295 WeakPolarHBondContact OE1-CD 3.45Å; E291-R295 IonicContact OE1-CZ 3.67Å; E291-R295 IonicContact OE1-NE 3.84Å; E291-R295 IonicContact OE1-NH1 2.77Å; E291-R295 PolarHBondContact OE1-NH1 2.97Å; R295-R297 HydrophobicContact CB-CG 4.45Å; R295-R297 PolarHBondContact O-N 3.36Å |
| 296 | L | 64.5 | Low | 69.2 | Low | 169 Ų | 169 | 140.1 Ų | 140.1 | 89% | 0.885 | 66% | 0.663 | S | S | * | * | | | trans | -66.2 | 66 | 148.4 | -72.7 | 161.2 | 0 | 0 | 0 | 108 | R294 P298 | R294-L296 PolarHBondContact O-N 3.14Å; L296-P298 VanDerWaalsContact O-CD 3.28Å; L296-P298 WeakPolarHBondContact O-CD 3.46Å |
| 297 | R | 68.3 | Low | 69.8 | Low | 145 Ų | 145 | 137.5 Ų | 137.5 | 55% | 0.547 | 65% | 0.653 | S | S | . | * | | | trans | -66.8 | 124.4 | 167.1 | -74.1 | -150.1 | -174.1 | 86.9 | -4.8 | 106.6 | E291 R295 S299 | E291-R297 IonicContact OE1-CZ 3.46Å; E291-R297 IonicContact OE1-NH1 2.62Å; E291-R297 PolarHBondContact OE1-NH1 3.18Å; E291-R297 IonicContact OE1-NH2 3.45Å; E291-R297 PolarHBondContact OE1-NH2 3.01Å; E291-R297 IonicContact OE2-NH1 3.92Å; R295-R297 HydrophobicContact CB-CG 4.45Å; R295-R297 PolarHBondContact O-N 3.36Å; R297-S299 PolarHBondContact O-N 3.01Å |
| 298 | P | 71.9 | Confident | 70.3 | Confident | 127 Ų | 127 | 135.6 Ų | 135.6 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | | | trans | -55.8 | 113.5 | 166.5 | -19.4 | 31.9 | 0 | 0 | 0 | 107 | L296 L300 | L296-P298 VanDerWaalsContact O-CD 3.28Å; L296-P298 WeakPolarHBondContact O-CD 3.46Å; P298-L300 PolarHBondContact O-N 3.05Å |
| 299 | S | 72.8 | Confident | 70.8 | Confident | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | | | trans | -62.3 | 125.4 | 168.9 | 52.2 | 0 | 0 | 0 | 0 | 106.8 | R297 D301 | R297-S299 PolarHBondContact O-N 3.01Å; S299-D301 PolarHBondContact O-N 3.27Å |
| 300 | L | 82.6 | Confident | 70.6 | Confident | 119 Ų | 119 | 133.5 Ų | 133.5 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | | | trans | -60.6 | 110.3 | 173.1 | -175.6 | 62.4 | 0 | 0 | 0 | 108.1 | P298 F302 M305 | P298-L300 PolarHBondContact O-N 3.05Å; L300-F302 HydrophobicContact CD2-CE1 4.09Å; L300-F302 HydrophobicContact CD2-CZ 4.14Å; L300-F302 PolarHBondContact O-N 3.48Å; L300-M305 HydrophobicContact CD1-CE 3.79Å; L300-M305 HydrophobicContact CD2-CE 3.67Å; L300-M305 HydrophobicContact CG-CE 3.77Å |
| 301 | D | 80 | Confident | 70.7 | Confident | 82 Ų | 82 | 133.2 Ų | 133.2 | 44% | 0.439 | 67% | 0.668 | S | S | . | * | | | trans | -84.4 | 106 | 177.2 | -179.1 | 6.8 | 0 | 0 | 0 | 109.3 | S299 D303 K304 M305 | S299-D301 PolarHBondContact O-N 3.27Å; D301-D303 PolarHBondContact O-N 3.42Å; D301-D303 VanDerWaalsContact OD1-CB 3.28Å; D301-D303 WeakPolarHBondContact OD1-CB 3.34Å; D301-D303 PolarHBondContact OD1-N 3.04Å; D301-K304 HydrophobicContact CB-CB 4.19Å; D301-K304 PolarHBondContact O-N 3.48Å; D301-M305 PolarHBondContact O-N 3.46Å |
| 302 | F | 83.4 | Confident | 70.1 | Confident | 128 Ų | 128 | 132.6 Ų | 132.6 | 56% | 0.561 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -66.6 | -19.5 | 177.5 | -65.6 | -78.6 | 0 | 0 | 0 | 112.4 | L300 M305 N306 | L300-F302 HydrophobicContact CD2-CE1 4.09Å; L300-F302 HydrophobicContact CD2-CZ 4.14Å; L300-F302 PolarHBondContact O-N 3.48Å; F302-M305 HydrophobicContact CD1-CE 3.88Å; F302-M305 HydrophobicContact CD1-SD 4.32Å; F302-M305 HydrophobicContact CE1-CE 4.09Å; F302-M305 PolarHBondContact O-N 3.43Å; F302-N306 PolarHBondContact O-N 3.23Å; F302-N306 VanDerWaalsContact O-N 3.17Å; F302-N306 PolarHBondContact O-ND2 3.36Å |
| 303 | D | 76.1 | Confident | 69.5 | Low | 121 Ų | 121 | 132.8 Ų | 132.8 | 65% | 0.647 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -73.9 | -35.6 | 175.3 | -66.4 | -35.1 | 0 | 0 | 0 | 111.2 | D301 M305 N306 Q307 | D301-D303 PolarHBondContact O-N 3.42Å; D301-D303 VanDerWaalsContact OD1-CB 3.28Å; D301-D303 WeakPolarHBondContact OD1-CB 3.34Å; D301-D303 PolarHBondContact OD1-N 3.04Å; D303-M305 VanDerWaalsContact C-N 3.3Å; D303-N306 PolarHBondContact O-N 3.47Å; D303-Q307 WeakPolarHBondContact O-CG 3.37Å; D303-Q307 PolarHBondContact O-N 3.26Å |
| 304 | K | 77.6 | Confident | 69 | Low | 158 Ų | 158 | 135 Ų | 135 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -66 | -34.3 | 170.6 | -168.6 | 177.3 | -179.8 | -177.1 | 0 | 112.1 | D301 N306 | D301-K304 HydrophobicContact CB-CB 4.19Å; D301-K304 PolarHBondContact O-N 3.48Å; K304-N306 VanDerWaalsContact C-N 3.34Å |
| 305 | M | 78.4 | Confident | 68 | Low | 109 Ų | 109 | 131.6 Ų | 131.6 | 54% | 0.537 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -71.5 | -27 | 179.1 | -163.2 | -173.1 | -59.2 | 0 | 0 | 113.1 | L300 D301 F302 D303 | L300-M305 HydrophobicContact CD1-CE 3.79Å; L300-M305 HydrophobicContact CD2-CE 3.67Å; L300-M305 HydrophobicContact CG-CE 3.77Å; D301-M305 PolarHBondContact O-N 3.46Å; F302-M305 HydrophobicContact CD1-CE 3.88Å; F302-M305 HydrophobicContact CD1-SD 4.32Å; F302-M305 HydrophobicContact CE1-CE 4.09Å; F302-M305 PolarHBondContact O-N 3.43Å; D303-M305 VanDerWaalsContact C-N 3.3Å |
| 306 | N | 77 | Confident | 67.5 | Low | 121 Ų | 121 | 133.4 Ų | 133.4 | 65% | 0.647 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 1.7 | -178.4 | -74.5 | -62.5 | 0 | 0 | 0 | 114.5 | F302 D303 K304 K308 | F302-N306 PolarHBondContact O-N 3.23Å; F302-N306 VanDerWaalsContact O-N 3.17Å; F302-N306 PolarHBondContact O-ND2 3.36Å; D303-N306 PolarHBondContact O-N 3.47Å; K304-N306 VanDerWaalsContact C-N 3.34Å; N306-K308 PolarHBondContact O-N 3.27Å |
| 307 | Q | 81 | Confident | 66.3 | Low | 133 Ų | 133 | 133.2 Ų | 133.2 | 62% | 0.621 | 73% | 0.727 | S | S | * | * | | | trans | -72.9 | 110.4 | 172.2 | -75.2 | 177.9 | 37.3 | 0 | 0 | 110 | D303 | D303-Q307 WeakPolarHBondContact O-CG 3.37Å; D303-Q307 PolarHBondContact O-N 3.26Å |
| 308 | K | 76.9 | Confident | 65 | Low | 184 Ų | 184 | 135 Ų | 135 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.7 | 169.1 | -58.2 | -78.3 | 179.7 | 176.1 | 0 | 107.5 | N306 Y310 | N306-K308 PolarHBondContact O-N 3.27Å; K308-Y310 PolarHBondContact O-N 3.27Å; K308-Y310 VanDerWaalsContact O-N 3.08Å |
| 309 | P | 71.1 | Confident | 63.3 | Low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58 | 120.8 | 172.8 | 22 | -29.8 | 0 | 0 | 0 | 108 | S311 | P309-S311 PolarHBondContact O-N 2.92Å; P309-S311 VanDerWaalsContact O-N 3.11Å |
| 310 | Y | 62.1 | Low | 61.9 | Low | 219 Ų | 219 | 134.3 Ų | 134.3 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 118.4 | -179.3 | -79.6 | -95.6 | 0 | 0 | 0 | 110.3 | K308 G312 | K308-Y310 PolarHBondContact O-N 3.27Å; K308-Y310 VanDerWaalsContact O-N 3.08Å; Y310-G312 PolarHBondContact O-N 3.47Å |
| 311 | S | 61 | Low | 59.6 | Low | 131 Ų | 131 | 140.5 Ų | 140.5 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | | | trans | -69.4 | 107.9 | 153.3 | -72.6 | 0 | 0 | 0 | 0 | 107 | P309 | P309-S311 PolarHBondContact O-N 2.92Å; P309-S311 VanDerWaalsContact O-N 3.11Å |
| 312 | G | 50.8 | Low | 57.9 | Low | 71 Ų | 71 | 145.8 Ų | 145.8 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | 170.4 | 76.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y310 | Y310-G312 PolarHBondContact O-N 3.47Š|
| 313 | G | 46.3 | Very low | 55.9 | Low | 79 Ų | 79 | 143.1 Ų | 143.1 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | 80 | 98.4 | 141.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 314 | L | 48.8 | Very low | 54.1 | Low | 173 Ų | 173 | 142.4 Ų | 142.4 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | trans | -53.4 | 134.7 | 159.8 | -60.4 | 165.6 | 0 | 0 | 0 | 111 | | |
| 315 | C | 39.8 | Very low | 53 | Low | 138 Ų | 138 | 140.4 Ų | 140.4 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | | | trans | -136.1 | 81.1 | 152.3 | -92.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 316 | L | 47.1 | Very low | 51.4 | Low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | | | trans | -89.8 | 107.8 | 151.2 | -176.9 | 132.6 | 0 | 0 | 0 | 106.5 | | |
| 317 | Q | 39.5 | Very low | 50 | Low | 165 Ų | 165 | 141.2 Ų | 141.2 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | | | trans | -164.5 | 108.9 | 142.7 | -132.9 | 178.7 | 83.3 | 0 | 0 | 111.5 | | |
| 318 | E | 41.2 | Very low | 48.4 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -65.5 | 121.5 | 148.9 | 174 | 170.8 | -167.8 | 0 | 0 | 108.5 | | |
| 319 | T | 35.4 | Very low | 47.3 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | -158.5 | 141.5 | 139.5 | 47.5 | 0 | 0 | 0 | 0 | 110 | | |
| 320 | A | 43.1 | Very low | 46.4 | Very low | 98 Ų | 98 | 141 Ų | 141 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | -67.2 | 142.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 321 | R | 35.7 | Very low | 45.8 | Very low | 249 Ų | 249 | 138.1 Ų | 138.1 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | | | | -170.7 | 132.3 | 125.1 | -128.5 | 175.4 | 170.4 | -132.8 | -0.3 | 112.6 | | |
| 322 | E | 42.6 | Very low | 45 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -41.3 | 138.4 | 171.1 | -152.1 | 95.2 | -155.7 | 0 | 0 | 114.8 | | |
| 323 | G | 43.2 | Very low | 44.3 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | 96.7 | 91.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 324 | S | 38.2 | Very low | 43.8 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | | -178.5 | 143.8 | 115 | 67 | 0 | 0 | 0 | 0 | 110.5 | I326 | S324-I326 PolarHBondContact O-N 2.91Š|
| 325 | S | 54.1 | Low | 43.3 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | -55.9 | 119.7 | -179.9 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 326 | I | 45.1 | Very low | 44.3 | Very low | 144 Ų | 144 | 139 Ų | 139 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -136.3 | 99.3 | 165.7 | -54.9 | 173.1 | 0 | 0 | 0 | 108.6 | S324 | S324-I326 PolarHBondContact O-N 2.91Š|
| 327 | S | 46.2 | Very low | 44.4 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -67.9 | 141.7 | 163.1 | -56.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 328 | P | 48.7 | Very low | 44.6 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | | | trans | -65 | 129.7 | -175.2 | -21.1 | 32.2 | 0 | 0 | 0 | 113 | W330 | P328-W330 PolarHBondContact O-N 3.3Š|
| 329 | P | 54 | Low | 45 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -99.7 | 58.6 | -171.7 | 39.6 | -34.6 | 0 | 0 | 0 | 112.2 | | |
| 330 | W | 52.4 | Low | 45 | Very low | 210 Ų | 210 | 134.3 Ų | 134.3 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | | | trans | -111.1 | 1.8 | 172.5 | 68.9 | -90.9 | 0 | 0 | 0 | 113.9 | P328 | P328-W330 PolarHBondContact O-N 3.3Š|
| 331 | F | 48.8 | Very low | 44.6 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | | | trans | -84.2 | 134.6 | 160.7 | -100.4 | -100.4 | 0 | 0 | 0 | 109.3 | | |
| 332 | M | 44.3 | Very low | 44.4 | Very low | 164 Ų | 164 | 128 Ų | 128 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | | | trans | 90.5 | 129.4 | -179.2 | -49.6 | -73 | 96.9 | 0 | 0 | 113.6 | | |
| 333 | A | 35.4 | Very low | 43.8 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | cis | -169.1 | 153.7 | -4.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 334 | C | 35.6 | Very low | 43.6 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | trans | -71 | 144.6 | 168.6 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 335 | S | 38.3 | Very low | 44.1 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | 107.4 | 139.2 | 144.4 | -55.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 336 | P | 62 | Low | 43 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -88.9 | 175.3 | -173.6 | 41.4 | -36.7 | 0 | 0 | 0 | 111.8 | | |
| 337 | P | 47.8 | Very low | 42.3 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | cis | -154.5 | -142 | 46.5 | 41.8 | -15.2 | 0 | 0 | 0 | 112.3 | | |
| 338 | P | 45.3 | Very low | 41.6 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | cis | -131.9 | -177.5 | -18.6 | 38.1 | -17 | 0 | 0 | 0 | 116.2 | | |
| 339 | L | 48.6 | Very low | 40.8 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -59.9 | 149.3 | 178.9 | -56.4 | 162.1 | 0 | 0 | 0 | 115.3 | | |
| 340 | S | 35.9 | Very low | 39.8 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | | | trans | -165 | 131.8 | 143.1 | -80.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 341 | A | 35.2 | Very low | 39.1 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -86.9 | 162.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 342 | S | 29.7 | Very low | 38.5 | Very low | 112 Ų | 112 | 120 Ų | 120 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -164.9 | 111.2 | 142.6 | -159.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 343 | C | 31.6 | Very low | 38.1 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 40 | 120.2 | 134.9 | -55.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 344 | S | 38.2 | Very low | 38.2 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -63.8 | 171.6 | 150.4 | -27.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 345 | P | 48.5 | Very low | 38.1 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | | | | -154.3 | 177.4 | 58.8 | 35.8 | -11.6 | 0 | 0 | 0 | 117.5 | | |
| 346 | T | 31.3 | Very low | 37.9 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | | 140.1 | 124.2 | 126.1 | -47.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 347 | G | 31.3 | Very low | 36.9 | Very low | 82 Ų | 82 | 126 Ų | 126 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | 89.3 | 128.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 348 | G | 30.7 | Very low | 36.5 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | cis | 162.2 | 164.5 | 4.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 349 | S | 32.8 | Very low | 36.4 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | | | trans | 80.3 | 97 | 168.4 | -169.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 350 | S | 32.9 | Very low | 36.3 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | | | | 89.9 | 118.3 | 60.9 | 70.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 351 | Q | 37.7 | Very low | 36.6 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | | | trans | 165.9 | 105.1 | 138.7 | -94.6 | -179.6 | -16.3 | 0 | 0 | 108.2 | | |
| 352 | V | 34.9 | Very low | 36.6 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | | | | 62 | 109.3 | 80 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 353 | L | 35.5 | Very low | 37.1 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | | | | -153.7 | 140.3 | 75 | -77.4 | 162.8 | 0 | 0 | 0 | 113 | | |
| 354 | S | 38.1 | Very low | 37.5 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | | | trans | -87.6 | 148.1 | 162.2 | -63.1 | 0 | 0 | 0 | 0 | 110 | | |
| 355 | E | 34.7 | Very low | 37.5 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | | | trans | -159.7 | 146.4 | 136.1 | 38.9 | -167.3 | 90.1 | 0 | 0 | 110.1 | | |
| 356 | S | 33.7 | Very low | 36.8 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | | | trans | -137.9 | 137.6 | -157.5 | 42.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 357 | E | 39.7 | Very low | 36.9 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -158.1 | 159.9 | 157.7 | 44.8 | -171.2 | 109 | 0 | 0 | 110.5 | | |
| 358 | E | 40.9 | Very low | 37.5 | Very low | 179 Ų | 179 | 151 Ų | 151 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | | | trans | -127.1 | -179.5 | -137.6 | 47.2 | -155.9 | 103.1 | 0 | 0 | 110.3 | | |
| 359 | E | 42.1 | Very low | 37.9 | Very low | 189 Ų | 189 | 156.4 Ų | 156.4 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | | | trans | -60.3 | 153.6 | -164.5 | -56.8 | 168 | 119.6 | 0 | 0 | 115.5 | | |
| 360 | E | 45.8 | Very low | 38.3 | Very low | 195 Ų | 195 | 155.6 Ų | 155.6 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | | | | -161.1 | 138.1 | 124.4 | -148.6 | -178.3 | 128 | 0 | 0 | 112.8 | | |
| 361 | E | 43 | Very low | 38.8 | Very low | 188 Ų | 188 | 157.5 Ų | 157.5 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | | | trans | -85 | 142.9 | 177.3 | -156.5 | -177.6 | -172.7 | 0 | 0 | 110.4 | | |
| 362 | G | 36.3 | Very low | 39 | Very low | 77 Ų | 77 | 154.2 Ų | 154.2 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | | | trans | -173.5 | 92.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 363 | A | 39.5 | Very low | 39.6 | Very low | 103 Ų | 103 | 157 Ų | 157 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | | | trans | -66.7 | 126.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 364 | V | 39.9 | Very low | 39.8 | Very low | 144 Ų | 144 | 160.7 Ų | 160.7 | 87% | 0.873 | 83% | 0.831 | S | S | * | * | | | trans | -145.3 | 125.2 | 150.4 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 365 | R | 38.2 | Very low | 40.2 | Very low | 208 Ų | 208 | 161.6 Ų | 161.6 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | | | trans | -68.1 | 141.1 | 171.6 | -172.5 | -168.6 | -50.1 | -173.7 | 4.6 | 110.4 | | |
| 366 | W | 34.5 | Very low | 40.7 | Very low | 242 Ų | 242 | 161 Ų | 161 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | | | trans | 155.5 | 142 | 137.2 | -83.9 | 110.4 | 0 | 0 | 0 | 111.7 | | |
| 367 | G | 33.1 | Very low | 41.2 | Very low | 69 Ų | 69 | 161.5 Ų | 161.5 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | | | trans | 112.6 | 99.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 368 | R | 42.8 | Very low | 41.5 | Very low | 244 Ų | 244 | 160.7 Ų | 160.7 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | | | trans | -47.4 | 135.2 | 156.9 | -76.5 | -171.8 | -83.7 | -100.4 | 2.9 | 110.9 | | |
| 369 | Q | 39.1 | Very low | 42.2 | Very low | 187 Ų | 187 | 159.7 Ų | 159.7 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | | | trans | -154.7 | 121.9 | 140.1 | -113.9 | 172 | 38.8 | 0 | 0 | 111.4 | | |
| 370 | A | 42.3 | Very low | 42.8 | Very low | 96 Ų | 96 | 156.9 Ų | 156.9 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | | | trans | -66 | 137.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 371 | L | 42.2 | Very low | 43.4 | Very low | 141 Ų | 141 | 155.5 Ų | 155.5 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | | | trans | -141.8 | 110.8 | 161.3 | -139.9 | 92.6 | 0 | 0 | 0 | 109.8 | | |
| 372 | S | 42.5 | Very low | 44.1 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -67.6 | 130.8 | 170.7 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 373 | K | 47.2 | Very low | 45.4 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | trans | -147.7 | 99 | 154 | -68.3 | -167.6 | -179.7 | 174.4 | 0 | 111.3 | | |
| 374 | R | 40.2 | Very low | 46.5 | Very low | 234 Ų | 234 | 155.2 Ų | 155.2 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | 35.2 | 109.1 | 131.4 | -72.5 | 178.1 | 172.6 | 131.9 | -2.3 | 119.5 | | |
| 375 | T | 46.9 | Very low | 47.9 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | | 28.9 | 111.9 | 119.2 | 59.1 | 0 | 0 | 0 | 0 | 120 | | |
| 376 | L | 45.3 | Very low | 49.2 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | | | trans | -169 | 123.8 | 147.2 | -143.7 | 80 | 0 | 0 | 0 | 104.1 | | |
| 377 | C | 43.3 | Very low | 50.6 | Low | 111 Ų | 111 | 144.6 Ų | 144.6 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | | | cis | -147.3 | 130.2 | 38.5 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 378 | Q | 46.5 | Very low | 51.8 | Low | 173 Ų | 173 | 148.5 Ų | 148.5 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | | | trans | -93.2 | 115.1 | 156.8 | -175.3 | 165.7 | 8.5 | 0 | 0 | 105.1 | | |
| 379 | Q | 55.3 | Low | 52.8 | Low | 158 Ų | 158 | 142.8 Ų | 142.8 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | trans | -94.3 | 98.8 | 177.7 | -161.4 | 165.7 | 26.6 | 0 | 0 | 106.9 | F381 | Q379-F381 HydrophobicContact CB-CE2 4.46Å; Q379-F381 HydrophobicContact CG-CE2 4.47Å; Q379-F381 WeakPolarHBondContact O-CD2 3.36Å; Q379-F381 PolarHBondContact O-N 3Å |
| 380 | D | 55.7 | Low | 53.8 | Low | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | | | trans | -70.6 | 114.1 | 176.6 | -65.6 | -40.8 | 0 | 0 | 0 | 109.3 | G382 | D380-G382 PolarHBondContact O-N 3.23Å; D380-G382 VanDerWaalsContact O-N 3.15Å |
| 381 | F | 56.9 | Low | 54.7 | Low | 165 Ų | 165 | 146.5 Ų | 146.5 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | trans | -86.3 | 56.4 | 172.5 | -73.7 | -87 | 0 | 0 | 0 | 110.6 | Q379 | Q379-F381 HydrophobicContact CB-CE2 4.46Å; Q379-F381 HydrophobicContact CG-CE2 4.47Å; Q379-F381 WeakPolarHBondContact O-CD2 3.36Å; Q379-F381 PolarHBondContact O-N 3Å |
| 382 | G | 59.4 | Low | 54.8 | Low | 63 Ų | 63 | 151.1 Ų | 151.1 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | | | trans | -84.4 | -14.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | D380 | D380-G382 PolarHBondContact O-N 3.23Å; D380-G382 VanDerWaalsContact O-N 3.15Å |
| 383 | D | 62 | Low | 55.4 | Low | 165 Ų | 165 | 153 Ų | 153 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | | | trans | -143.2 | 86.8 | -176.5 | -85.5 | -34.9 | 0 | 0 | 0 | 110.7 | | |
| 384 | L | 62.9 | Low | 55.8 | Low | 134 Ų | 134 | 151.4 Ų | 151.4 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | | | trans | -98.4 | 103.6 | 152 | -95.8 | 104.8 | 0 | 0 | 0 | 107.1 | L386 | L384-L386 PolarHBondContact O-N 3.07Å; L384-L386 VanDerWaalsContact O-N 3.09Å |
| 385 | D | 69.3 | Low | 56.7 | Low | 110 Ų | 110 | 146.8 Ų | 146.8 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | | | trans | -68.1 | 103.2 | 171.6 | -168.7 | -3.5 | 0 | 0 | 0 | 109 | N387 L388 | D385-N387 PolarHBondContact O-N 3.26Å; D385-N387 VanDerWaalsContact O-N 3.14Å; D385-N387 WeakPolarHBondContact OD1-CB 3.48Å; D385-N387 PolarHBondContact OD1-N 3.32Å; D385-N387 PolarHBondContact OD1-ND2 3.49Å; D385-L388 PolarHBondContact O-N 3.36Å |
| 386 | L | 65.8 | Low | 57.3 | Low | 129 Ų | 129 | 147.8 Ų | 147.8 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -65.5 | -10.8 | -178.7 | -69.1 | 169.2 | 0 | 0 | 0 | 112.8 | L384 L388 I389 | L384-L386 PolarHBondContact O-N 3.07Å; L384-L386 VanDerWaalsContact O-N 3.09Å; L386-L388 PolarHBondContact O-N 2.94Å; L386-I389 HydrophobicContact CD2-CD1 3.77Å; L386-I389 PolarHBondContact O-N 3.34Å |
| 387 | N | 63.3 | Low | 58 | Low | 132 Ų | 132 | 146.5 Ų | 146.5 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -73.3 | -12.9 | 177.1 | -63 | -46.8 | 0 | 0 | 0 | 113.4 | D385 I389 | D385-N387 PolarHBondContact O-N 3.26Å; D385-N387 VanDerWaalsContact O-N 3.14Å; D385-N387 WeakPolarHBondContact OD1-CB 3.48Å; D385-N387 PolarHBondContact OD1-N 3.32Å; D385-N387 PolarHBondContact OD1-ND2 3.49Å; N387-I389 VanDerWaalsContact C-N 3.31Å |
| 388 | L | 60 | Low | 59 | Low | 152 Ų | 152 | 148.9 Ų | 148.9 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -83.9 | -5.2 | 178.3 | -157.9 | 67.3 | 0 | 0 | 0 | 113.5 | D385 L386 | D385-L388 PolarHBondContact O-N 3.36Å; L386-L388 PolarHBondContact O-N 2.94Å |
| 389 | I | 62.2 | Low | 59.9 | Low | 124 Ų | 124 | 147.1 Ų | 147.1 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -97.9 | -5.3 | -173.6 | -35.9 | 176.8 | 0 | 0 | 0 | 111.9 | L386 N387 | L386-I389 HydrophobicContact CD2-CD1 3.77Å; L386-I389 PolarHBondContact O-N 3.34Å; N387-I389 VanDerWaalsContact C-N 3.31Å |
| 390 | E | 61.7 | Low | 60.3 | Low | 185 Ų | 185 | 146.3 Ų | 146.3 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -91.6 | -2.2 | -179.1 | -161.6 | 167.4 | -161.2 | 0 | 0 | 113.9 | | |
| 391 | E | 59.5 | Low | 60.6 | Low | 176 Ų | 176 | 147.7 Ų | 147.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -120.3 | 71 | 176.8 | -158.5 | 177.1 | -174.4 | 0 | 0 | 111.9 | | |
| 392 | N | 44.8 | Very low | 61 | Low | 237 Ų | 237 | 146.1 Ų | 146.1 | 100% | 1.267 | 78% | 0.781 | S | S | * | * | | | trans | -154.9 | 0 | 150.4 | -119.8 | -84.5 | 0 | 0 | 0 | 112.7 | | |