| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.1 | Very low | 32.9 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 100% | 1.177 | 84% | 0.843 | S | S | * | * | 0 | 111.2 | 0 | -73.4 | -178.7 | 175 | 0 | 0 | 106.4 | |||||
| 2 | D | 39.1 | Very low | 32.7 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | trans | -71.4 | 162.5 | 164.3 | -60.4 | -101 | 0 | 0 | 0 | 109.9 | ||||
| 3 | P | 43 | Very low | 32.5 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | -126.7 | 174.5 | 118.5 | 36.9 | -32.1 | 0 | 0 | 0 | 113.4 | |||||
| 4 | Q | 33.8 | Very low | 32.2 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -138 | 140.8 | -155.9 | 169.2 | -172.5 | 3.1 | 0 | 0 | 109.9 | ||||
| 5 | N | 30.1 | Very low | 32.1 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | 143.2 | 153.5 | 163.8 | -83.1 | -25.2 | 0 | 0 | 0 | 111.8 | ||||
| 6 | Q | 34.3 | Very low | 32.1 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 70% | 0.696 | 83% | 0.827 | S | S | * | * | cis | -162.4 | 169.1 | -25.9 | -129.2 | -176.3 | 83.1 | 0 | 0 | 109.7 | ||||
| 7 | H | 30.8 | Very low | 31.9 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | 13 | 131.7 | 161.1 | -83.8 | -81.2 | 0 | 0 | 0 | 122.1 | ||||
| 8 | G | 28.6 | Very low | 32 | Very low | 81 Ų | 81 | 142.8 Ų | 142.8 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -163.6 | 104.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 9 | S | 29.7 | Very low | 32.2 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -90.4 | 137.2 | 176 | -59.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 10 | G | 30.1 | Very low | 32 | Very low | 83 Ų | 83 | 139.6 Ų | 139.6 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -164.4 | 116.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 11 | S | 29.8 | Very low | 32.1 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -105 | 133.7 | 170.3 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 12 | S | 30.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -156.4 | 160.6 | 156.8 | -162.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 13 | L | 30 | Very low | 31.3 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -119.8 | 179 | -173 | -77.5 | 162.5 | 0 | 0 | 0 | 111.2 | ||||
| 14 | V | 29 | Very low | 30.6 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 87.8 | 150.6 | 154.5 | -154.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 15 | V | 30.1 | Very low | 30.5 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | trans | 92.5 | 87 | 167 | -164.4 | 0 | 0 | 0 | 0 | 116.2 | Q17 | V15-Q17 HydrophobicContact CG1-CB 4.42Š| ||
| 16 | I | 31.8 | Very low | 30.5 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | trans | -93.4 | 113.9 | 150.1 | -64.6 | 175.1 | 0 | 0 | 0 | 107 | ||||
| 17 | Q | 29.3 | Very low | 30.5 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -96.7 | 128.7 | 175.3 | -169.4 | 83.2 | 19.3 | 0 | 0 | 109.3 | V15 | V15-Q17 HydrophobicContact CG1-CB 4.42Š| ||
| 18 | Q | 34.1 | Very low | 30.5 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -76.1 | 158 | 169.8 | -71.8 | -177.5 | -23.1 | 0 | 0 | 111.8 | ||||
| 19 | P | 34.5 | Very low | 30.7 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -112.4 | 164.9 | 131.3 | 35.1 | -32.1 | 0 | 0 | 0 | 111.6 | ||||
| 20 | S | 29.1 | Very low | 30.9 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -133.6 | 179.9 | -169.6 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 21 | L | 33.1 | Very low | 31.2 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 76.6 | 146.9 | 174.8 | -41.4 | -177.4 | 0 | 0 | 0 | 114.6 | ||||
| 22 | D | 27.8 | Very low | 31.4 | Very low | 130 Ų | 130 | 157 Ų | 157 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | cis | -147.3 | 145.9 | -5.8 | -143.7 | -114.8 | 0 | 0 | 0 | 114.1 | ||||
| 23 | N | 27 | Very low | 31.7 | Very low | 130 Ų | 130 | 158.6 Ų | 158.6 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | 7.1 | 121.9 | 149.5 | -170 | 8.8 | 0 | 0 | 0 | 121 | ||||
| 24 | R | 29.6 | Very low | 32.1 | Very low | 202 Ų | 202 | 158.2 Ų | 158.2 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | -174.7 | 135.4 | 118.9 | -101.9 | 172.1 | 75.3 | 149.8 | -2.3 | 116.6 | |||||
| 25 | Q | 30 | Very low | 32.7 | Very low | 140 Ų | 140 | 157.2 Ų | 157.2 | 65% | 0.654 | 76% | 0.764 | S | S | * | * | trans | 63.5 | 94.1 | 145.7 | -67.1 | 178.8 | -62.1 | 0 | 0 | 122 | ||||
| 26 | R | 30.8 | Very low | 33.5 | Very low | 220 Ų | 220 | 156.3 Ų | 156.3 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | 54.2 | 107.9 | 109.3 | -170 | -165.7 | -166.9 | -168.4 | 7.3 | 119.2 | |||||
| 27 | L | 33.4 | Very low | 34.6 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | -159.6 | 141.6 | 120.5 | -113.5 | 166.4 | 0 | 0 | 0 | 111.9 | |||||
| 28 | D | 31.8 | Very low | 35.8 | Very low | 124 Ų | 124 | 153 Ų | 153 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | trans | -70.4 | 141.3 | -179.3 | -55.8 | -108.7 | 0 | 0 | 0 | 113.2 | ||||
| 29 | Y | 32.6 | Very low | 37.2 | Very low | 238 Ų | 238 | 149.2 Ų | 149.2 | 93% | 0.933 | 75% | 0.754 | S | S | * | * | 176.6 | 91 | 122.9 | -104.1 | -70.6 | 0 | 0 | 0 | 110.8 | |||||
| 30 | E | 33.6 | Very low | 38.6 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -127 | 137.3 | 156.8 | -163.7 | 172.4 | 143.1 | 0 | 0 | 109.6 | E32 | E30-E32 PolarHBondContact O-N 3.07Š| ||
| 31 | R | 36.8 | Very low | 39.9 | Very low | 227 Ų | 227 | 147.9 Ų | 147.9 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | trans | -89.3 | 107.8 | -172.6 | 179.6 | 175.9 | -67.9 | -171.2 | -1.6 | 109.8 | I33 | R31-I33 PolarHBondContact O-N 2.99Å; R31-I33 VanDerWaalsContact O-N 3.09Å | ||
| 32 | E | 33.7 | Very low | 41.2 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | trans | -43.1 | 110.2 | 176.8 | -170 | -173.8 | 159.3 | 0 | 0 | 113 | E30 Q34 | E30-E32 PolarHBondContact O-N 3.07Å; E32-Q34 PolarHBondContact O-N 3.08Å; E32-Q34 PolarHBondContact OE1-NE2 2.85Å | ||
| 33 | I | 37.5 | Very low | 42.8 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | trans | -82.1 | 94.5 | 171.8 | -61.8 | 174.3 | 0 | 0 | 0 | 107.5 | R31 P35 | R31-I33 PolarHBondContact O-N 2.99Å; R31-I33 VanDerWaalsContact O-N 3.09Å; I33-P35 WeakPolarHBondContact O-CD 3.39Å | ||
| 34 | Q | 38 | Very low | 44.4 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.6 | 172.5 | -78.1 | -82.6 | -31.9 | 0 | 0 | 110.6 | E32 A36 | E32-Q34 PolarHBondContact O-N 3.08Å; E32-Q34 PolarHBondContact OE1-NE2 2.85Å; Q34-A36 PolarHBondContact O-N 2.93Å |
| 35 | P | 42.4 | Very low | 45.8 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 123.1 | 175.7 | 28.5 | -32.7 | 0 | 0 | 0 | 109.6 | I33 A37 | I33-P35 WeakPolarHBondContact O-CD 3.39Å; P35-A37 PolarHBondContact O-N 3.04Å |
| 36 | A | 45.8 | Very low | 47.1 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 122 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q34 I38 | Q34-A36 PolarHBondContact O-N 2.93Å; A36-I38 PolarHBondContact O-N 2.65Å |
| 37 | A | 54.6 | Low | 48.4 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | trans | -64.6 | 108.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P35 L39 | P35-A37 PolarHBondContact O-N 3.04Å; A37-L39 PolarHBondContact O-N 2.91Å; A37-L39 VanDerWaalsContact O-N 3.11Å | ||
| 38 | I | 56.2 | Low | 49.6 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 88% | 0.882 | 67% | 0.669 | S | S | * | * | trans | -75.1 | 101.5 | 178.3 | -56.1 | 177.6 | 0 | 0 | 0 | 108.6 | A36 | A36-I38 PolarHBondContact O-N 2.65Š| ||
| 39 | L | 63 | Low | 50.7 | Low | 87 Ų | 87 | 128.8 Ų | 128.8 | 46% | 0.455 | 67% | 0.671 | S | S | . | * | trans | -63.3 | 146 | 174.8 | -63.2 | 173.4 | 0 | 0 | 0 | 111 | A37 Q43 | A37-L39 PolarHBondContact O-N 2.91Å; A37-L39 VanDerWaalsContact O-N 3.11Å; L39-Q43 HydrophobicContact CB-CB 4.37Å | ||
| 40 | S | 64.8 | Low | 51.5 | Low | 64 Ų | 64 | 121.6 Ų | 121.6 | 45% | 0.448 | 66% | 0.655 | S | S | . | * | trans | -72 | 157 | -176.4 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | D42 Q43 I44 | S40-D42 PolarHBondContact O-N 2.88Å; S40-Q43 WeakPolarHBondContact O-CB 3.43Å; S40-Q43 PolarHBondContact O-N 3.32Å; S40-I44 PolarHBondContact O-N 3.32Å; S40-I44 VanDerWaalsContact O-N 3.17Å | ||
| 41 | L | 56.3 | Low | 52.5 | Low | 128 Ų | 128 | 116.9 Ų | 116.9 | 67% | 0.67 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -58 | -26.9 | -175 | -128.4 | 162.1 | 0 | 0 | 0 | 113 | K45 | L41-K45 WeakPolarHBondContact O-CG 3.31Å; L41-K45 PolarHBondContact O-N 3.16Å |
| 42 | D | 60 | Low | 53.5 | Low | 102 Ų | 102 | 115 Ų | 115 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -83.8 | -28.8 | 177.8 | -59.5 | -54 | 0 | 0 | 0 | 113.6 | S40 I44 K45 A46 | S40-D42 PolarHBondContact O-N 2.88Å; D42-I44 VanDerWaalsContact C-N 3.3Å; D42-K45 PolarHBondContact O-N 2.92Å; D42-K45 WeakPolarHBondContact OD1-CE 3.36Å; D42-K45 IonicContact OD1-NZ 2.68Å; D42-K45 PolarHBondContact OD1-NZ 3.32Å; D42-A46 PolarHBondContact O-N 3.27Å; D42-A46 VanDerWaalsContact O-N 3.12Å |
| 43 | Q | 60.3 | Low | 54.3 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 45% | 0.449 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.2 | -38.6 | 166.6 | -71.4 | 178.1 | -66.1 | 0 | 0 | 111 | L39 S40 K45 A46 I47 | L39-Q43 HydrophobicContact CB-CB 4.37Å; S40-Q43 WeakPolarHBondContact O-CB 3.43Å; S40-Q43 PolarHBondContact O-N 3.32Å; Q43-K45 VanDerWaalsContact C-N 3.31Å; Q43-K45 PolarHBondContact O-N 3.49Å; Q43-A46 PolarHBondContact O-N 2.93Å; Q43-I47 WeakPolarHBondContact O-CG1 3.29Å; Q43-I47 PolarHBondContact O-N 2.04Å; Q43-I47 VanDerWaalsContact O-N 3.15Å |
| 44 | I | 60.7 | Low | 55.3 | Low | 72 Ų | 72 | 116.7 Ų | 116.7 | 37% | 0.369 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.7 | -34.5 | 177.5 | -60.9 | 170.4 | 0 | 0 | 0 | 111.3 | S40 D42 R48 | S40-I44 PolarHBondContact O-N 3.32Å; S40-I44 VanDerWaalsContact O-N 3.17Å; D42-I44 VanDerWaalsContact C-N 3.3Å; I44-R48 PolarHBondContact O-N 3.42Å |
| 45 | K | 59.7 | Low | 56.2 | Low | 128 Ų | 128 | 117.3 Ų | 117.3 | 56% | 0.557 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.7 | -45.1 | 172.3 | -70.4 | 170.1 | -164.8 | 162.1 | 0 | 112 | L41 D42 Q43 I47 R48 G49 | L41-K45 WeakPolarHBondContact O-CG 3.31Å; L41-K45 PolarHBondContact O-N 3.16Å; D42-K45 PolarHBondContact O-N 2.92Å; D42-K45 WeakPolarHBondContact OD1-CE 3.36Å; D42-K45 IonicContact OD1-NZ 2.68Å; D42-K45 PolarHBondContact OD1-NZ 3.32Å; Q43-K45 VanDerWaalsContact C-N 3.31Å; Q43-K45 PolarHBondContact O-N 3.49Å; K45-I47 VanDerWaalsContact C-N 3.33Å; K45-I47 PolarHBondContact O-N 3.39Å; K45-R48 PolarHBondContact O-N 3.01Å; K45-G49 PolarHBondContact O-N 2.9Å; K45-G49 VanDerWaalsContact O-N 3.13Å |
| 46 | A | 58.1 | Low | 56.6 | Low | 71 Ų | 71 | 114.8 Ų | 114.8 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.3 | -44.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D42 Q43 R48 G49 | D42-A46 PolarHBondContact O-N 3.27Å; D42-A46 VanDerWaalsContact O-N 3.12Å; Q43-A46 PolarHBondContact O-N 2.93Å; A46-R48 VanDerWaalsContact C-N 3.31Å; A46-R48 PolarHBondContact O-N 2.89Å; A46-G49 PolarHBondContact O-N 2.9Å; A46-G49 VanDerWaalsContact O-N 3.16Å |
| 47 | I | 57.9 | Low | 56.5 | Low | 110 Ų | 110 | 116.6 Ų | 116.6 | 56% | 0.564 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.5 | -31.8 | 178.9 | -63.8 | 164.1 | 0 | 0 | 0 | 112.1 | Q43 K45 | Q43-I47 WeakPolarHBondContact O-CG1 3.29Å; Q43-I47 PolarHBondContact O-N 2.04Å; Q43-I47 VanDerWaalsContact O-N 3.15Å; K45-I47 VanDerWaalsContact C-N 3.33Å; K45-I47 PolarHBondContact O-N 3.39Å |
| 48 | R | 58.1 | Low | 56 | Low | 214 Ų | 214 | 117.6 Ų | 117.6 | 81% | 0.808 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -83 | -7.5 | 176 | -73 | -174.2 | 176.2 | -171.9 | -0 | 114.4 | I44 K45 A46 | I44-R48 PolarHBondContact O-N 3.42Å; K45-R48 PolarHBondContact O-N 3.01Å; A46-R48 VanDerWaalsContact C-N 3.31Å; A46-R48 PolarHBondContact O-N 2.89Å |
| 49 | G | 54.3 | Low | 55.2 | Low | 68 Ų | 68 | 115.4 Ų | 115.4 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -79.6 | -30.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K45 A46 | K45-G49 PolarHBondContact O-N 2.9Å; K45-G49 VanDerWaalsContact O-N 3.13Å; A46-G49 PolarHBondContact O-N 2.9Å; A46-G49 VanDerWaalsContact O-N 3.16Å |
| 50 | S | 49.7 | Very low | 54.3 | Low | 86 Ų | 86 | 117.3 Ų | 117.3 | 60% | 0.601 | 65% | 0.654 | S | S | * | * | trans | -94.8 | 112 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 51 | N | 55 | Low | 53 | Low | 92 Ų | 92 | 123.4 Ų | 123.4 | 49% | 0.492 | 67% | 0.672 | S | S | . | * | trans | -112.3 | 96.1 | 178.3 | -173.4 | 47.7 | 0 | 0 | 0 | 110.6 | Y53 T54 E55 | N51-Y53 PolarHBondContact O-N 3.29Å; N51-T54 WeakPolarHBondContact CB-OG1 3.48Å; N51-T54 PolarHBondContact ND2-OG1 2.83Å; N51-T54 PolarHBondContact O-N 2.84Å; N51-T54 PolarHBondContact O-OG1 3.21Å; N51-E55 PolarHBondContact O-N 3.07Å | ||
| 52 | E | 57.4 | Low | 51.8 | Low | 186 Ų | 186 | 128.7 Ų | 128.7 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -16.5 | -171.6 | -161.5 | 169.9 | 108.9 | 0 | 0 | 114.2 | T54 | E52-T54 VanDerWaalsContact C-N 3.31Š|
| 53 | Y | 51.2 | Low | 50.6 | Low | 230 Ų | 230 | 129.7 Ų | 129.7 | 90% | 0.902 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -10 | 172 | -90 | -94 | 0 | 0 | 0 | 114.7 | N51 | N51-Y53 PolarHBondContact O-N 3.29Š|
| 54 | T | 58.9 | Low | 49.2 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -22.4 | -179.2 | 25.1 | 0 | 0 | 0 | 0 | 114.2 | N51 E52 | N51-T54 WeakPolarHBondContact CB-OG1 3.48Å; N51-T54 PolarHBondContact ND2-OG1 2.83Å; N51-T54 PolarHBondContact O-N 2.84Å; N51-T54 PolarHBondContact O-OG1 3.21Å; E52-T54 VanDerWaalsContact C-N 3.31Å |
| 55 | E | 56 | Low | 48.3 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -114.9 | 108.8 | 179.6 | -62.2 | -163.9 | 151.1 | 0 | 0 | 110.8 | N51 | N51-E55 PolarHBondContact O-N 3.07Š|
| 56 | G | 51.6 | Low | 47 | Very low | 61 Ų | 61 | 137.9 Ų | 137.9 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | trans | -66.6 | 163.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S58 | G56-S58 PolarHBondContact O-N 2.95Å; G56-S58 VanDerWaalsContact O-N 3.11Å | ||
| 57 | P | 43.6 | Very low | 45.8 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | -57.1 | 116.3 | -167.9 | 21.9 | -33.9 | 0 | 0 | 0 | 112.9 | V59 | P57-V59 PolarHBondContact O-N 2.92Š| ||
| 58 | S | 42.8 | Very low | 45 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -77.5 | 92.8 | -171.9 | 47.6 | 0 | 0 | 0 | 0 | 112.4 | G56 V60 | G56-S58 PolarHBondContact O-N 2.95Å; G56-S58 VanDerWaalsContact O-N 3.11Å; S58-V60 PolarHBondContact O-N 3.31Å; S58-V60 VanDerWaalsContact O-N 3.15Å | ||
| 59 | V | 39.3 | Very low | 44.3 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | trans | -68.3 | 112.4 | 175.1 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | P57 K61 | P57-V59 PolarHBondContact O-N 2.92Å; V59-K61 PolarHBondContact O-N 3.3Å | ||
| 60 | V | 44.9 | Very low | 43.1 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -46.8 | 127.6 | 178.1 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | S58 | S58-V60 PolarHBondContact O-N 3.31Å; S58-V60 VanDerWaalsContact O-N 3.15Å | ||
| 61 | K | 36.6 | Very low | 42.3 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -134.1 | 130.8 | 162.5 | -69.3 | -169.4 | 177.5 | -179.7 | 0 | 111.7 | V59 | V59-K61 PolarHBondContact O-N 3.3Š| ||
| 62 | R | 32.7 | Very low | 41.2 | Very low | 240 Ų | 240 | 150.9 Ų | 150.9 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -84.5 | 162.5 | 172.7 | -76.3 | 179.8 | 177.1 | 166.4 | -0.9 | 110.5 | ||||
| 63 | P | 33.6 | Very low | 39.9 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -96.9 | 172 | -157.5 | 37.3 | -37.8 | 0 | 0 | 0 | 116.7 | ||||
| 64 | A | 31.6 | Very low | 39.2 | Very low | 94 Ų | 94 | 147.7 Ų | 147.7 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | 79 | 159.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 65 | P | 40.9 | Very low | 37.8 | Very low | 131 Ų | 131 | 151.5 Ų | 151.5 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | cis | -121.1 | -169.9 | -2.9 | 30.5 | -8.9 | 0 | 0 | 0 | 115.1 | ||||
| 66 | R | 33.6 | Very low | 36.9 | Very low | 242 Ų | 242 | 152.6 Ų | 152.6 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -84.1 | 150.2 | -165.9 | -55.8 | 169.1 | 175.7 | 175.2 | -3.5 | 115.6 | ||||
| 67 | T | 31.9 | Very low | 36.2 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -144.2 | 160.9 | 140.7 | 35.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 68 | A | 41.3 | Very low | 35.8 | Very low | 96 Ų | 96 | 155.1 Ų | 155.1 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -159.1 | -177.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 69 | P | 43.8 | Very low | 35.6 | Very low | 115 Ų | 115 | 156.9 Ų | 156.9 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | cis | -135 | -166.1 | -5.8 | 42.4 | -24.7 | 0 | 0 | 0 | 114.6 | ||||
| 70 | R | 29.7 | Very low | 35.5 | Very low | 222 Ų | 222 | 159 Ų | 159 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 74.2 | 153.6 | 167.8 | -87.4 | -173.8 | 158.9 | -179.9 | -5.7 | 117.4 | ||||
| 71 | Q | 32.5 | Very low | 35.2 | Very low | 168 Ų | 168 | 160 Ų | 160 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | cis | -127 | 157.8 | 6.1 | -152.7 | 170.7 | -36.2 | 0 | 0 | 113.8 | ||||
| 72 | E | 31.8 | Very low | 35.2 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -100.3 | 141.5 | -171.3 | 176.3 | -174.2 | 178.5 | 0 | 0 | 111.8 | ||||
| 73 | K | 30.3 | Very low | 35.5 | Very low | 206 Ų | 206 | 152.1 Ų | 152.1 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -139.5 | 122.1 | 158.8 | -168.3 | -178.3 | 179.5 | -172.6 | 0 | 109.6 | ||||
| 74 | H | 35 | Very low | 35.5 | Very low | 142 Ų | 142 | 153 Ų | 153 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | -77 | 123.9 | -174.3 | -177.5 | 89.3 | 0 | 0 | 0 | 111.6 | ||||
| 75 | E | 30.5 | Very low | 36 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -87.3 | 120.7 | 168.6 | -169.9 | 173.5 | 145.8 | 0 | 0 | 108.7 | ||||
| 76 | R | 36.2 | Very low | 35.7 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | -105.4 | 113.2 | -170.3 | -175 | -175.8 | 170.9 | 97.2 | 3.4 | 111.4 | H78 | R76-H78 PolarHBondContact NE-NE2 3.31Å; R76-H78 PolarHBondContact NH2-NE2 2.83Å; R76-H78 PolarHBondContact O-N 2.84Å | ||
| 77 | T | 37.8 | Very low | 36 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | -55 | 126.1 | 170.1 | -47.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 78 | H | 36.2 | Very low | 36 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 54% | 0.537 | 76% | 0.756 | S | S | . | * | trans | -144 | 102.6 | 152.5 | -83.9 | -82.1 | 0 | 0 | 0 | 105.5 | R76 | R76-H78 PolarHBondContact NE-NE2 3.31Å; R76-H78 PolarHBondContact NH2-NE2 2.83Å; R76-H78 PolarHBondContact O-N 2.84Å | ||
| 79 | E | 36.6 | Very low | 35.8 | Very low | 153 Ų | 153 | 154.6 Ų | 154.6 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | 97.8 | 120.9 | 80.5 | -88.9 | 175.7 | 162.7 | 0 | 0 | 111 | |||||
| 80 | I | 37.7 | Very low | 35.4 | Very low | 168 Ų | 168 | 156.3 Ų | 156.3 | 86% | 0.862 | 76% | 0.757 | S | S | * | * | trans | -83.4 | 118.7 | -173.8 | -64.1 | 155.1 | 0 | 0 | 0 | 108.5 | P82 | I80-P82 VanDerWaalsContact O-CD 3.29Å; I80-P82 WeakPolarHBondContact O-CD 3.48Å | ||
| 81 | I | 39.1 | Very low | 35.6 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -89.2 | 111.8 | 174.6 | -57.4 | 175.7 | 0 | 0 | 0 | 108.7 | I83 | I81-I83 PolarHBondContact O-N 2.87Š| ||
| 82 | P | 35.7 | Very low | 35.5 | Very low | 114 Ų | 114 | 152 Ų | 152 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | trans | -76.4 | 111.7 | 175.3 | 30.6 | -32.9 | 0 | 0 | 0 | 110.2 | I80 N84 | I80-P82 VanDerWaalsContact O-CD 3.29Å; I80-P82 WeakPolarHBondContact O-CD 3.48Å; P82-N84 PolarHBondContact O-N 3.34Å | ||
| 83 | I | 38.9 | Very low | 35.3 | Very low | 154 Ų | 154 | 151.8 Ų | 151.8 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -74.7 | 112.4 | 172.5 | -61.4 | 178.4 | 0 | 0 | 0 | 108.6 | I81 V85 | I81-I83 PolarHBondContact O-N 2.87Å; I83-V85 PolarHBondContact O-N 3.04Å | ||
| 84 | N | 34.9 | Very low | 35.3 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -73.1 | 122.5 | 178.6 | -177.7 | 13.6 | 0 | 0 | 0 | 111.2 | P82 N86 | P82-N84 PolarHBondContact O-N 3.34Å; N84-N86 PolarHBondContact O-N 3.38Å | ||
| 85 | V | 41.5 | Very low | 35.1 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -89.5 | 88.9 | 178.2 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | I83 | I83-V85 PolarHBondContact O-N 3.04Š| ||
| 86 | N | 34.2 | Very low | 35.4 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | trans | -106.7 | 96 | 176.8 | -173.4 | 35.1 | 0 | 0 | 0 | 112.1 | N84 N88 | N84-N86 PolarHBondContact O-N 3.38Å; N86-N88 PolarHBondContact O-N 3.35Å | ||
| 87 | N | 39.8 | Very low | 35.2 | Very low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | -78 | 112.9 | 164.1 | -96.4 | -51.9 | 0 | 0 | 0 | 109.4 | ||||
| 88 | N | 32.5 | Very low | 34.8 | Very low | 131 Ų | 131 | 143 Ų | 143 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | -144.8 | 102.7 | 162.6 | -162.3 | -5 | 0 | 0 | 0 | 111.1 | N86 | N86-N88 PolarHBondContact O-N 3.35Š| ||
| 89 | Y | 37 | Very low | 34.7 | Very low | 217 Ų | 217 | 146.5 Ų | 146.5 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | -95.3 | 122.7 | 164.8 | -97 | -94.7 | 0 | 0 | 0 | 108 | ||||
| 90 | E | 35.8 | Very low | 34.7 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 167.1 | 153.3 | 155.9 | -84.2 | -94.7 | 61.2 | 0 | 0 | 105.1 | ||||
| 91 | H | 32.9 | Very low | 34.4 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 52% | 0.519 | 76% | 0.756 | S | S | . | * | cis | -158.1 | 136.4 | 23.2 | -150.6 | 32.9 | 0 | 0 | 0 | 110.4 | ||||
| 92 | R | 31.3 | Very low | 34.3 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 55.8 | 150.7 | 149.3 | -69.2 | 175.7 | 166.9 | 147.2 | -7.5 | 119.4 | ||||
| 93 | H | 28.3 | Very low | 35 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | cis | -149.4 | 145 | 45.3 | -91.9 | -85.6 | 0 | 0 | 0 | 116.1 | ||||
| 94 | T | 30.5 | Very low | 34.7 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | trans | 34.9 | 127.6 | 140.4 | -26.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 95 | S | 31 | Very low | 34.6 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 136 | 123.6 | 130.9 | -69.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 96 | H | 35 | Very low | 34.2 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | -9.3 | 143.1 | 151.2 | -69.1 | -105.8 | 0 | 0 | 0 | 118.7 | ||||
| 97 | L | 32.9 | Very low | 34.2 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 98% | 0.979 | 76% | 0.764 | S | S | * | * | trans | -136 | 130 | 142.8 | -148.1 | 77.5 | 0 | 0 | 0 | 111.5 | ||||
| 98 | G | 29.5 | Very low | 34 | Very low | 62 Ų | 62 | 142.2 Ų | 142.2 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | trans | -166.1 | 140.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 99 | H | 33.1 | Very low | 34.5 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | 60.8 | 98.9 | -179 | -71.7 | -83.7 | 0 | 0 | 0 | 118.4 | ||||
| 100 | A | 36.6 | Very low | 34.4 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 54.7 | 160.4 | 109.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 101 | V | 32 | Very low | 34.5 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | 100.7 | 137.4 | 164.6 | -173.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 102 | L | 36.1 | Very low | 34.5 | Very low | 157 Ų | 157 | 138 Ų | 138 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -94.3 | -175 | 179.1 | -124 | 68.7 | 0 | 0 | 0 | 110 | ||||
| 103 | P | 51.9 | Low | 34.6 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 60% | 0.597 | 78% | 0.781 | S | S | * | * | cis | -131.6 | 179.4 | -19.7 | 38.4 | -21.8 | 0 | 0 | 0 | 113.3 | ||||
| 104 | N | 32.3 | Very low | 34.8 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | 163.9 | 162.8 | 123 | -90.6 | -37.7 | 0 | 0 | 0 | 116.1 | |||||
| 105 | N | 31.9 | Very low | 34.9 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -56.4 | 145.1 | -178.9 | -56.5 | -39.5 | 0 | 0 | 0 | 116.2 | ||||
| 106 | A | 32.9 | Very low | 35 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | 178.6 | 135.9 | 110.1 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 107 | R | 35.8 | Very low | 35.1 | Very low | 245 Ų | 245 | 136.4 Ų | 136.4 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | 52.2 | 127.4 | 146.2 | -60.6 | 171 | -176.9 | 149.6 | 1.1 | 120.5 | ||||
| 108 | G | 35.2 | Very low | 35 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -78.8 | -174.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 109 | P | 43.7 | Very low | 35.2 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | -148.8 | 148.5 | 71.5 | 38.5 | -20.2 | 0 | 0 | 0 | 119 | |||||
| 110 | I | 35 | Very low | 35.4 | Very low | 151 Ų | 151 | 130 Ų | 130 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | 43.2 | 143.1 | 129.9 | -41.1 | 176.9 | 0 | 0 | 0 | 121.5 | |||||
| 111 | L | 36.3 | Very low | 35.2 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | 94.4 | 131.6 | 170.2 | -52.7 | 176.6 | 0 | 0 | 0 | 114.9 | ||||
| 112 | S | 34.1 | Very low | 35.4 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | cis | -157.4 | 141 | -6.9 | -101.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 113 | R | 32.7 | Very low | 35.4 | Very low | 220 Ų | 220 | 127.7 Ų | 127.7 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | 11 | 124.4 | 138.9 | -161.6 | 178.5 | -67.3 | 154.5 | -0.7 | 117.3 | ||||
| 114 | S | 32.8 | Very low | 34.5 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | -166.7 | 124.1 | 78.2 | -60.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 115 | T | 33.2 | Very low | 34.7 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | 58.7 | 100.8 | 77.3 | 64.5 | 0 | 0 | 0 | 0 | 117 | |||||
| 116 | S | 33 | Very low | 35 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -156.4 | 137.7 | 130.5 | 50.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 117 | T | 37 | Very low | 35.3 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | -152.6 | 159.4 | 175.2 | 46.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 118 | G | 29.9 | Very low | 35.4 | Very low | 78 Ų | 78 | 120.2 Ų | 120.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 120.5 | 139.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 119 | S | 34.1 | Very low | 35.3 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -129.1 | 172.3 | -172.6 | -51.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 120 | A | 36.7 | Very low | 34.7 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 92.9 | 170.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 121 | A | 32.9 | Very low | 34.9 | Very low | 98 Ų | 98 | 119.3 Ų | 119.3 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | 87.3 | 86.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 122 | S | 36 | Very low | 35.1 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -22.3 | 150.3 | 146.2 | -37.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 123 | S | 37 | Very low | 35.3 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | 161.2 | 150 | 114.3 | -70.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 124 | G | 31.4 | Very low | 35.6 | Very low | 70 Ų | 70 | 117.6 Ų | 117.6 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | 151.9 | 131.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 125 | S | 36.7 | Very low | 35.7 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -161.3 | 130 | -176 | -57.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 126 | N | 38.6 | Very low | 36 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | -160.4 | 128.9 | 163.4 | -10.4 | 63 | 0 | 0 | 0 | 107.2 | ||||
| 127 | S | 39.5 | Very low | 36 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | 77.6 | 132.5 | 65.2 | -59.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 128 | S | 38.7 | Very low | 35.8 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | cis | -166 | -178.9 | 0.5 | -94.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 129 | A | 31.4 | Very low | 35.9 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | 81.8 | 145.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 130 | S | 32.1 | Very low | 36.7 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | cis | 133 | 120 | -9.1 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 131 | S | 38.3 | Very low | 37.1 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -164.9 | 127.1 | 151 | -168.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 132 | E | 41.1 | Very low | 37.1 | Very low | 172 Ų | 172 | 130.7 Ų | 130.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -119.8 | 122.2 | 179.4 | 61.8 | -166.9 | 82.4 | 0 | 0 | 110.1 | ||||
| 133 | Q | 38.3 | Very low | 37 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -145.6 | 100.4 | 165.4 | -72 | -162.5 | -5.2 | 0 | 0 | 109.8 | ||||
| 134 | G | 38.5 | Very low | 37 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -104.5 | 137.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 135 | L | 34.6 | Very low | 37.3 | Very low | 177 Ų | 177 | 139 Ų | 139 | 93% | 0.927 | 82% | 0.823 | S | S | * | * | trans | -138.4 | 121.3 | 161.8 | -76.8 | -180 | 0 | 0 | 0 | 109.8 | ||||
| 136 | L | 39.2 | Very low | 37.5 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 98% | 0.979 | 83% | 0.825 | S | S | * | * | trans | -84.2 | 126.5 | 170.8 | -66.8 | 172.4 | 0 | 0 | 0 | 109.5 | ||||
| 137 | G | 33 | Very low | 37.2 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | -141.4 | 80.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 138 | R | 33.5 | Very low | 37.3 | Very low | 253 Ų | 253 | 139.4 Ų | 139.4 | 96% | 0.955 | 82% | 0.824 | S | S | * | * | trans | 28.1 | 121.9 | 154.3 | -62.1 | -179.8 | 175.9 | -173.5 | -2.1 | 120.2 | ||||
| 139 | S | 32 | Very low | 37.1 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -91.5 | 179.1 | 153.3 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 140 | P | 50.9 | Low | 37.4 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | cis | -104.5 | -117.6 | -6.7 | 32.7 | -12.7 | 0 | 0 | 0 | 110.5 | ||||
| 141 | P | 45.8 | Very low | 37.7 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | cis | -102.2 | -143.1 | 2.5 | 43.2 | -34.6 | 0 | 0 | 0 | 113.4 | ||||
| 142 | T | 32.8 | Very low | 38 | Very low | 133 Ų | 133 | 155.8 Ų | 155.8 | 82% | 0.816 | 84% | 0.837 | S | S | * | * | trans | -138.5 | 134.9 | -162.5 | -42.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 143 | R | 33.2 | Very low | 37.8 | Very low | 238 Ų | 238 | 151.5 Ų | 151.5 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | trans | -161.2 | 139.6 | 146.3 | -149.2 | 166.2 | -160.1 | -155.9 | 2.6 | 112.5 | ||||
| 144 | P | 38.4 | Very low | 38.1 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | trans | -92.2 | 150.4 | -178.3 | 35.1 | -35.5 | 0 | 0 | 0 | 114.3 | ||||
| 145 | V | 35.7 | Very low | 38.1 | Very low | 135 Ų | 135 | 155.2 Ų | 155.2 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -140.6 | 132.2 | 162.7 | 178.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 146 | P | 41.3 | Very low | 38.4 | Very low | 133 Ų | 133 | 152.6 Ų | 152.6 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -77.6 | 130.4 | -179.2 | 30.7 | -33.8 | 0 | 0 | 0 | 111.6 | ||||
| 147 | G | 32.9 | Very low | 38.3 | Very low | 69 Ų | 69 | 149.1 Ų | 149.1 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -134.1 | 121 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R149 | G147-R149 PolarHBondContact O-N 2.95Š| ||
| 148 | H | 40.8 | Very low | 38.6 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -59 | 120 | 176.3 | -118.7 | -98.6 | 0 | 0 | 0 | 110.6 | ||||
| 149 | R | 34.7 | Very low | 38.7 | Very low | 246 Ų | 246 | 148.1 Ų | 148.1 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | trans | -117.9 | 104.9 | 157.7 | -86.6 | -164.5 | 167.8 | -153.4 | -2.7 | 109.1 | G147 E151 | G147-R149 PolarHBondContact O-N 2.95Å; R149-E151 PolarHBondContact O-N 2.87Å; R149-E151 VanDerWaalsContact O-N 3.12Å | ||
| 150 | S | 37.3 | Very low | 38.9 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -69.3 | 102.9 | 168.9 | -55.8 | 0 | 0 | 0 | 0 | 108.6 | R152 | S150-R152 PolarHBondContact O-N 3.09Š| ||
| 151 | E | 39.4 | Very low | 38.2 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -66.8 | 115.8 | 176.6 | -166.4 | 171 | 139 | 0 | 0 | 109.7 | R149 A153 | R149-E151 PolarHBondContact O-N 2.87Å; R149-E151 VanDerWaalsContact O-N 3.12Å; E151-A153 PolarHBondContact O-N 3.41Å | ||
| 152 | R | 45.1 | Very low | 37.7 | Very low | 242 Ų | 242 | 151.2 Ų | 151.2 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | -80.2 | 68.8 | -176.1 | -167.1 | -178.2 | -174.4 | 174.3 | 2.3 | 110.3 | S150 I154 | S150-R152 PolarHBondContact O-N 3.09Å; R152-I154 PolarHBondContact O-N 2.94Å | ||
| 153 | A | 37.1 | Very low | 38.1 | Very low | 82 Ų | 82 | 150.5 Ų | 150.5 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -52 | 129.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | E151 R155 | E151-A153 PolarHBondContact O-N 3.41Å; A153-R155 PolarHBondContact O-N 3.4Å | ||
| 154 | I | 42.8 | Very low | 38.2 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -73.2 | 100.9 | -177.4 | -62.2 | 174.3 | 0 | 0 | 0 | 108.2 | R152 T156 | R152-I154 PolarHBondContact O-N 2.94Å; I154-T156 VanDerWaalsContact C-N 3.32Å; I154-T156 PolarHBondContact O-N 2.05Å | ||
| 155 | R | 40.4 | Very low | 38.7 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -76.3 | 80.1 | -178.7 | -172.1 | -179.3 | 174.5 | 178 | -6.2 | 110.9 | A153 Q157 | A153-R155 PolarHBondContact O-N 3.4Å; R155-Q157 VanDerWaalsContact C-N 3.33Å; R155-Q157 HydrophobicContact CG-CG 3.92Å; R155-Q157 PolarHBondContact O-N 3.32Å | ||
| 156 | T | 40 | Very low | 39.5 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -62.4 | 97.1 | 154.8 | 41 | 0 | 0 | 0 | 0 | 107.9 | I154 P158 | I154-T156 VanDerWaalsContact C-N 3.32Å; I154-T156 PolarHBondContact O-N 2.05Å; T156-P158 WeakPolarHBondContact O-CD 3.45Å | ||
| 157 | Q | 36.7 | Very low | 39.5 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 54% | 0.537 | 76% | 0.764 | S | S | . | * | P | Polyproline II helix | trans | -68.9 | 119.2 | 173.8 | -71.9 | -161.6 | 36 | 0 | 0 | 109.3 | R155 K159 | R155-Q157 VanDerWaalsContact C-N 3.33Å; R155-Q157 HydrophobicContact CG-CG 3.92Å; R155-Q157 PolarHBondContact O-N 3.32Å; Q157-K159 PolarHBondContact O-N 3.08Å |
| 158 | P | 39.9 | Very low | 39.5 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 123.9 | 146.8 | 28.6 | -31.7 | 0 | 0 | 0 | 106.5 | T156 Q160 | T156-P158 WeakPolarHBondContact O-CD 3.45Å; P158-Q160 PolarHBondContact O-N 3.18Å; P158-Q160 VanDerWaalsContact O-N 3.14Å |
| 159 | K | 35.9 | Very low | 39.3 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 121.7 | 174.8 | -174.8 | 176.7 | -176.8 | 177.7 | 0 | 107.9 | Q157 L161 | Q157-K159 PolarHBondContact O-N 3.08Å; K159-L161 VanDerWaalsContact C-N 3.3Å; K159-L161 PolarHBondContact O-N 3.33Å |
| 160 | Q | 36.3 | Very low | 39.8 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | -68 | 88 | -174.4 | -69.6 | -172.4 | -73.9 | 0 | 0 | 110.8 | P158 I162 | P158-Q160 PolarHBondContact O-N 3.18Å; P158-Q160 VanDerWaalsContact O-N 3.14Å; Q160-I162 HydrophobicContact CB-CG1 4.11Å; Q160-I162 PolarHBondContact O-N 3.3Å | ||
| 161 | L | 34.9 | Very low | 39.9 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | -69.2 | 86.2 | 151.5 | -69.3 | 179.1 | 0 | 0 | 0 | 106.7 | K159 V163 | K159-L161 VanDerWaalsContact C-N 3.3Å; K159-L161 PolarHBondContact O-N 3.33Å; L161-V163 VanDerWaalsContact C-N 3.26Å; L161-V163 PolarHBondContact O-N 3.22Å | ||
| 162 | I | 35.7 | Very low | 40.3 | Very low | 113 Ų | 113 | 145 Ų | 145 | 58% | 0.579 | 75% | 0.747 | S | S | * | * | trans | -66 | 95.4 | 164.8 | -54.7 | 177.5 | 0 | 0 | 0 | 105.7 | Q160 D164 | Q160-I162 HydrophobicContact CB-CG1 4.11Å; Q160-I162 PolarHBondContact O-N 3.3Å; I162-D164 HydrophobicContact CG2-CB 4.37Å; I162-D164 WeakPolarHBondContact CG2-OD2 3.25Å; I162-D164 PolarHBondContact O-N 2.86Å | ||
| 163 | V | 42.5 | Very low | 40.4 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | trans | -73.4 | 102.1 | 155.6 | -179.7 | 0 | 0 | 0 | 0 | 104.5 | L161 D165 | L161-V163 VanDerWaalsContact C-N 3.26Å; L161-V163 PolarHBondContact O-N 3.22Å; V163-D165 HydrophobicContact CG1-CB 4.47Å; V163-D165 PolarHBondContact O-N 2.8Å | ||
| 164 | D | 35.3 | Very low | 41.1 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | trans | -71.4 | 67 | 179.3 | -104.3 | -59.1 | 0 | 0 | 0 | 110.5 | I162 L166 | I162-D164 HydrophobicContact CG2-CB 4.37Å; I162-D164 WeakPolarHBondContact CG2-OD2 3.25Å; I162-D164 PolarHBondContact O-N 2.86Å; D164-L166 PolarHBondContact O-N 3.36Å | ||
| 165 | D | 47.6 | Very low | 41.6 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -78 | 52.1 | 174.7 | -152.2 | -46.3 | 0 | 0 | 0 | 110.6 | V163 | V163-D165 HydrophobicContact CG1-CB 4.47Å; V163-D165 PolarHBondContact O-N 2.8Å | ||
| 166 | L | 52.8 | Low | 42.7 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -165.7 | 121.8 | 144.2 | -131.6 | 65.2 | 0 | 0 | 0 | 112.7 | D164 | D164-L166 PolarHBondContact O-N 3.36Š|
| 167 | K | 40.8 | Very low | 44.4 | Very low | 213 Ų | 213 | 131.3 Ų | 131.3 | 93% | 0.926 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 103.2 | 58.2 | 154.7 | -151.1 | -179.5 | -176.1 | -179.3 | 0 | 119.3 | ||
| 168 | G | 32.6 | Very low | 46.4 | Very low | 80 Ų | 80 | 128 Ų | 128 | 83% | 0.825 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 165.8 | 123.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 169 | S | 38.2 | Very low | 48.5 | Very low | 72 Ų | 72 | 127 Ų | 127 | 50% | 0.503 | 66% | 0.655 | S | S | . | * | cis | -110.1 | 129.7 | 14.5 | -176.3 | 0 | 0 | 0 | 0 | 113.3 | K171 | S169-K171 VanDerWaalsContact C-N 3.32Å; S169-K171 PolarHBondContact OG-N 2.69Å; S169-K171 VanDerWaalsContact OG-N 3.09Å | ||
| 170 | L | 45.2 | Very low | 51 | Low | 174 Ų | 174 | 119.3 Ų | 119.3 | 91% | 0.911 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -101.1 | 34.1 | 164 | -150.1 | 170.1 | 0 | 0 | 0 | 109.6 | ||
| 171 | K | 38.6 | Very low | 53.5 | Low | 193 Ų | 193 | 112.5 Ų | 112.5 | 84% | 0.839 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -143.8 | 19.9 | -170.7 | -77.7 | -159.2 | 171.8 | -172 | 0 | 116.4 | S169 | S169-K171 VanDerWaalsContact C-N 3.32Å; S169-K171 PolarHBondContact OG-N 2.69Å; S169-K171 VanDerWaalsContact OG-N 3.09Å |
| 172 | E | 48 | Very low | 56 | Low | 145 Ų | 145 | 110.1 Ų | 110.1 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -134 | -18.7 | 174.7 | -106.6 | 161.6 | 129.5 | 0 | 0 | 117.3 | T175 | E172-T175 PolarHBondContact O-OG1 3.01Š|
| 173 | D | 46.9 | Very low | 58.3 | Low | 58 Ų | 58 | 111.1 Ų | 111.1 | 31% | 0.31 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -99.8 | -1 | -163.3 | -80.7 | -78.3 | 0 | 0 | 0 | 119.2 | T175 Q176 | D173-T175 PolarHBondContact O-N 3.03Å; D173-Q176 HydrophobicContact CB-CB 4.44Å; D173-Q176 PolarHBondContact O-N 3.11Å; D173-Q176 VanDerWaalsContact O-N 3.11Å; D173-Q176 WeakPolarHBondContact OD1-CB 3.43Å; D173-Q176 WeakPolarHBondContact OD1-CG 3.44Å |
| 174 | L | 52.4 | Low | 60.4 | Low | 172 Ų | 172 | 107.6 Ų | 107.6 | 90% | 0.901 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -62.7 | -12.1 | 168.4 | -106.5 | 73.3 | 0 | 0 | 0 | 113.1 | ||
| 175 | T | 53.6 | Low | 62.5 | Low | 78 Ų | 78 | 103.9 Ų | 103.9 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -92.3 | -23.9 | 176.3 | 11.1 | 0 | 0 | 0 | 0 | 114.3 | E172 D173 K178 | E172-T175 PolarHBondContact O-OG1 3.01Å; D173-T175 PolarHBondContact O-N 3.03Å; T175-K178 WeakPolarHBondContact O-CG 3.14Å |
| 176 | Q | 63.4 | Low | 64.4 | Low | 100 Ų | 100 | 101.8 Ų | 101.8 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -86.7 | -28.9 | -163.4 | -152.4 | 75.8 | -52.5 | 0 | 0 | 113.8 | D173 K178 | D173-Q176 HydrophobicContact CB-CB 4.44Å; D173-Q176 PolarHBondContact O-N 3.11Å; D173-Q176 VanDerWaalsContact O-N 3.11Å; D173-Q176 WeakPolarHBondContact OD1-CB 3.43Å; D173-Q176 WeakPolarHBondContact OD1-CG 3.44Å; Q176-K178 PolarHBondContact O-N 2.79Å |
| 177 | H | 75.2 | Confident | 66.1 | Low | 95 Ų | 95 | 95.4 Ų | 95.4 | 44% | 0.44 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -74.8 | 4 | 178.8 | -62.4 | -28.9 | 0 | 0 | 0 | 114.9 | F179 I180 C187 C189 E191 | H177-F179 VanDerWaalsContact C-N 3.32Å; H177-F179 PolarHBondContact O-N 2.9Å; H177-I180 WeakPolarHBondContact O-CD1 3.47Å; H177-C187 VanDerWaalsContact C-SG 3.54Å; H177-C187 VanDerWaalsContact CA-SG 3.58Å; H177-C187 PolarHBondContact O-SG 3.38Å; H177-C189 PolarHBondContact ND1-SG 3.31Å; H177-E191 IonicContact CE1-OE2 2.65Å; H177-E191 PolarHBondContact CE1-OE2 3.24Å; H177-E191 VanDerWaalsContact CE1-OE2 3.3Å |
| 178 | K | 79.4 | Confident | 68.3 | Low | 46 Ų | 46 | 87.7 Ų | 87.7 | 20% | 0.2 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -73.2 | -16.2 | -172.5 | -67.2 | -178.6 | 178.6 | 175.3 | 0 | 115.2 | T175 Q176 I180 Y304 C305 | T175-K178 WeakPolarHBondContact O-CG 3.14Å; Q176-K178 PolarHBondContact O-N 2.79Å; K178-I180 PolarHBondContact O-N 3.39Å; K178-Y304 HydrophobicContact CB-CD2 4.05Å; K178-Y304 HydrophobicContact CB-CE2 3.84Å; K178-Y304 HydrophobicContact CD-CE1 4.07Å; K178-Y304 HydrophobicContact CD-CE2 3.82Å; K178-Y304 VanDerWaalsContact CD-CZ 3.45Å; K178-Y304 VanDerWaalsContact CD-OH 3.22Å; K178-Y304 WeakPolarHBondContact CD-OH 3.44Å; K178-Y304 PolarHBondContact NZ-OH 3.07Å; K178-C305 PolarHBondContact O-N 3.5Å |
| 179 | F | 83.7 | Confident | 70.7 | Confident | 91 Ų | 91 | 84.2 Ų | 84.2 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 99.7 | 179.1 | -62 | -79.1 | 0 | 0 | 0 | 111.1 | H177 C187 K188 Y304 | H177-F179 VanDerWaalsContact C-N 3.32Å; H177-F179 PolarHBondContact O-N 2.9Å; F179-C187 CarbonylContact O-C 3.55Å; F179-C187 WeakPolarHBondContact O-CA 3.31Å; F179-C187 PolarHBondContact O-SG 2.77Å; F179-C187 VanDerWaalsContact O-SG 3.32Å; F179-K188 PolarHBondContact O-N 2.97Å; F179-Y304 HydrophobicContact CE1-CD2 4.23Å; F179-Y304 HydrophobicContact CZ-CD2 4.46Å |
| 180 | I | 88 | Confident | 72.6 | Confident | 32 Ų | 32 | 83.6 Ų | 83.6 | 16% | 0.164 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 147.4 | -178.9 | -55.5 | -52.5 | 0 | 0 | 0 | 110.7 | H177 K178 G185 C187 T302 V303 C305 | H177-I180 WeakPolarHBondContact O-CD1 3.47Å; K178-I180 PolarHBondContact O-N 3.39Å; I180-G185 VanDerWaalsContact CG2-O 3.25Å; I180-G185 WeakPolarHBondContact CG2-O 3.36Å; I180-C187 HydrophobicContact CD1-CB 3.66Å; I180-T302 CarbonylContact O-C 3.55Å; I180-T302 WeakPolarHBondContact O-CA 3Å; I180-V303 HydrophobicContact CB-CG2 4.19Å; I180-V303 PolarHBondContact N-O 3.11Å; I180-V303 WeakPolarHBondContact O-CG2 3.49Å; I180-V303 PolarHBondContact O-N 3.18Å; I180-C305 HydrophobicContact CG1-CB 4.03Å; I180-C305 WeakPolarHBondContact CG1-SG 3.44Å |
| 181 | C | 88.6 | Confident | 74.3 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.007 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.9 | 173.8 | 178 | 0 | 0 | 0 | 0 | 111.9 | Q183 C184 G185 K186 K188 C295 S300 | C181-Q183 VanDerWaalsContact C-N 3.31Å; C181-Q183 PolarHBondContact O-N 3.06Å; C181-Q183 PolarHBondContact SG-N 3.42Å; C181-C184 HydrophobicContact CB-CB 4.4Å; C181-C184 WeakPolarHBondContact CB-SG 3.38Å; C181-C184 PolarHBondContact O-N 2.93Å; C181-G185 PolarHBondContact O-N 2.9Å; C181-K186 WeakPolarHBondContact CB-O 3.32Å; C181-K186 PolarHBondContact N-O 3.42Å; C181-K188 HydrophobicContact CB-CD 4.08Å; C181-K188 HydrophobicContact CB-CG 4.32Å; C181-C295 HydrophobicContact CB-CB 3.84Å; C181-C295 WeakPolarHBondContact CB-SG 3.49Å; C181-C295 PolarHBondContact SG-SG 3.17Å; C181-S300 WeakPolarHBondContact SG-CB 3.46Å; C181-S300 PolarHBondContact SG-OG 3.35Å |
| 182 | E | 87.4 | Confident | 76.3 | Confident | 108 Ų | 108 | 71.1 Ų | 71.1 | 51% | 0.505 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -42.8 | 175.4 | -68.4 | 172.5 | -170.6 | 0 | 0 | 113.4 | N301 V303 | E182-N301 VanDerWaalsContact CD-CB 3.5Å; E182-N301 HydrophobicContact CG-CB 4.41Å; E182-N301 VanDerWaalsContact OE1-CB 3.31Å; E182-N301 WeakPolarHBondContact OE1-CB 3.5Å; E182-N301 WeakPolarHBondContact OE2-CB 3.4Å; E182-N301 PolarHBondContact OE2-ND2 2.96Å; E182-V303 HydrophobicContact CG-CB 4.39Å; E182-V303 HydrophobicContact CG-CG1 3.67Å; E182-V303 HydrophobicContact CG-CG2 3.99Å |
| 183 | Q | 84.2 | Confident | 77.9 | Confident | 134 Ų | 134 | 66.5 Ų | 66.5 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -22.2 | -174.8 | -70.2 | 177.6 | -5.1 | 0 | 0 | 114.4 | C181 | C181-Q183 VanDerWaalsContact C-N 3.31Å; C181-Q183 PolarHBondContact O-N 3.06Å; C181-Q183 PolarHBondContact SG-N 3.42Å |
| 184 | C | 85.6 | Confident | 79.4 | Confident | 44 Ų | 44 | 65.5 Ų | 65.5 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -6.9 | -165.3 | 94.3 | 0 | 0 | 0 | 0 | 114.5 | C181 K186 C295 | C181-C184 HydrophobicContact CB-CB 4.4Å; C181-C184 WeakPolarHBondContact CB-SG 3.38Å; C181-C184 PolarHBondContact O-N 2.93Å; C184-K186 PolarHBondContact O-N 3.49Å; C184-K186 VanDerWaalsContact SG-CB 3.57Å; C184-K186 PolarHBondContact SG-N 3.38Å; C184-K186 VanDerWaalsContact SG-N 3.42Å; C184-C295 WeakPolarHBondContact CB-SG 3.45Å; C184-C295 WeakPolarHBondContact SG-CB 3.48Å; C184-C295 CovalentContact SG-SG 2.04Å; C184-C295 PolarHBondContact SG-SG 3.44Å |
| 185 | G | 81.1 | Confident | 80.3 | Confident | 56 Ų | 56 | 62 Ų | 62 | 58% | 0.577 | 35% | 0.348 | S | S | * | . | trans | 66 | -10.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | I180 C181 | I180-G185 VanDerWaalsContact CG2-O 3.25Å; I180-G185 WeakPolarHBondContact CG2-O 3.36Å; C181-G185 PolarHBondContact O-N 2.9Å | ||
| 186 | K | 86.7 | Confident | 81.3 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 41% | 0.413 | 35% | 0.346 | S | S | . | . | trans | -84 | 149.8 | 179.6 | -60.3 | -178.8 | 161.9 | -153.4 | 0 | 112.1 | C181 C184 R292 P293 G294 C295 | C181-K186 WeakPolarHBondContact CB-O 3.32Å; C181-K186 PolarHBondContact N-O 3.42Å; C184-K186 PolarHBondContact O-N 3.49Å; C184-K186 VanDerWaalsContact SG-CB 3.57Å; C184-K186 PolarHBondContact SG-N 3.38Å; C184-K186 VanDerWaalsContact SG-N 3.42Å; K186-R292 PolarHBondContact NZ-O 3.17Å; K186-P293 WeakPolarHBondContact CB-O 3.41Å; K186-P293 VanDerWaalsContact CD-O 3.29Å; K186-P293 WeakPolarHBondContact CD-O 3.38Å; K186-P293 WeakPolarHBondContact CG-O 3.34Å; K186-G294 WeakPolarHBondContact CD-O 3.48Å; K186-C295 HydrophobicContact CB-CB 4.02Å | ||
| 187 | C | 88.2 | Confident | 81.6 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -67.1 | 150 | 176.5 | -169.1 | 0 | 0 | 0 | 0 | 112.7 | H177 F179 I180 C189 C192 G294 C295 | H177-C187 VanDerWaalsContact C-SG 3.54Å; H177-C187 VanDerWaalsContact CA-SG 3.58Å; H177-C187 PolarHBondContact O-SG 3.38Å; F179-C187 CarbonylContact O-C 3.55Å; F179-C187 WeakPolarHBondContact O-CA 3.31Å; F179-C187 PolarHBondContact O-SG 2.77Å; F179-C187 VanDerWaalsContact O-SG 3.32Å; I180-C187 HydrophobicContact CD1-CB 3.66Å; C187-C189 PolarHBondContact SG-N 3.19Å; C187-C189 VanDerWaalsContact SG-N 3.4Å; C187-C192 HydrophobicContact CB-CB 4.17Å; C187-C192 PolarHBondContact SG-SG 2.8Å; C187-G294 CarbonylContact O-C 3.51Å; C187-G294 WeakPolarHBondContact O-CA 3.39Å; C187-C295 PolarHBondContact O-N 3.12Å |
| 188 | K | 86.5 | Confident | 81.1 | Confident | 51 Ų | 51 | 61.8 Ų | 61.8 | 22% | 0.222 | 35% | 0.346 | C | S | . | . | trans | -110.4 | 11.9 | 177.7 | -79.3 | 173.7 | 161 | -177.7 | 0 | 113.5 | F179 C181 C295 S300 N301 T302 | F179-K188 PolarHBondContact O-N 2.97Å; C181-K188 HydrophobicContact CB-CD 4.08Å; C181-K188 HydrophobicContact CB-CG 4.32Å; K188-C295 HydrophobicContact CG-CB 3.97Å; K188-S300 VanDerWaalsContact CE-OG 3.32Å; K188-S300 WeakPolarHBondContact CE-OG 3.39Å; K188-S300 PolarHBondContact NZ-O 3.34Å; K188-S300 PolarHBondContact NZ-OG 3.13Å; K188-N301 PolarHBondContact NZ-O 3.06Å; K188-T302 HydrophobicContact CD-CG2 3.54Å | ||
| 189 | C | 84.2 | Confident | 80.5 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 5% | 0.047 | 37% | 0.367 | C | S | . | . | trans | -59 | 158.1 | 176.5 | 91 | 0 | 0 | 0 | 0 | 112.3 | H177 C187 E191 C192 T193 | H177-C189 PolarHBondContact ND1-SG 3.31Å; C187-C189 PolarHBondContact SG-N 3.19Å; C187-C189 VanDerWaalsContact SG-N 3.4Å; C189-E191 PolarHBondContact O-N 3.39Å; C189-C192 HydrophobicContact CB-CB 4.09Å; C189-C192 WeakPolarHBondContact CB-SG 3.41Å; C189-C192 VanDerWaalsContact O-CB 3.28Å; C189-C192 WeakPolarHBondContact O-CB 3.49Å; C189-C192 PolarHBondContact O-N 2.77Å; C189-C192 VanDerWaalsContact O-N 3.17Å; C189-C192 WeakPolarHBondContact SG-CB 3.44Å; C189-C192 PolarHBondContact SG-N 2.92Å; C189-C192 CovalentContact SG-SG 2.05Å; C189-C192 PolarHBondContact SG-SG 2.77Å; C189-T193 PolarHBondContact O-N 3.42Å; C189-T193 PolarHBondContact O-OG1 3.36Å | ||
| 190 | G | 77.2 | Confident | 79.7 | Confident | 59 Ų | 59 | 63 Ų | 63 | 61% | 0.608 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -55.1 | -48.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C192 T193 A194 | G190-C192 VanDerWaalsContact C-N 3.3Å; G190-C192 PolarHBondContact O-N 3.12Å; G190-T193 CarbonylContact O-C 3.56Å; G190-T193 PolarHBondContact O-N 2.69Å; G190-T193 PolarHBondContact O-OG1 3.17Å; G190-A194 WeakPolarHBondContact O-CB 3.26Å; G190-A194 PolarHBondContact O-N 2.88Å |
| 191 | E | 80.8 | Confident | 78.2 | Confident | 96 Ų | 96 | 65 Ų | 65 | 45% | 0.449 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.5 | -31.1 | 179.3 | -40.6 | -176 | 121.4 | 0 | 0 | 113.9 | H177 C189 T193 R196 | H177-E191 IonicContact CE1-OE2 2.65Å; H177-E191 PolarHBondContact CE1-OE2 3.24Å; H177-E191 VanDerWaalsContact CE1-OE2 3.3Å; C189-E191 PolarHBondContact O-N 3.39Å; E191-T193 VanDerWaalsContact C-N 3.32Å; E191-R196 PolarHBondContact O-NH2 2.85Å |
| 192 | C | 81.2 | Confident | 76.7 | Confident | 9 Ų | 9 | 68.8 Ų | 68.8 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.9 | -34.2 | 178.2 | -51.3 | 0 | 0 | 0 | 0 | 110.5 | C187 C189 G190 R292 G294 | C187-C192 HydrophobicContact CB-CB 4.17Å; C187-C192 PolarHBondContact SG-SG 2.8Å; C189-C192 HydrophobicContact CB-CB 4.09Å; C189-C192 WeakPolarHBondContact CB-SG 3.41Å; C189-C192 VanDerWaalsContact O-CB 3.28Å; C189-C192 WeakPolarHBondContact O-CB 3.49Å; C189-C192 PolarHBondContact O-N 2.77Å; C189-C192 VanDerWaalsContact O-N 3.17Å; C189-C192 WeakPolarHBondContact SG-CB 3.44Å; C189-C192 PolarHBondContact SG-N 2.92Å; C189-C192 CovalentContact SG-SG 2.05Å; C189-C192 PolarHBondContact SG-SG 2.77Å; G190-C192 VanDerWaalsContact C-N 3.3Å; G190-C192 PolarHBondContact O-N 3.12Å; C192-R292 WeakPolarHBondContact O-CG 3.47Å; C192-G294 WeakPolarHBondContact O-CA 3.36Å; C192-G294 PolarHBondContact O-N 3.27Å |
| 193 | T | 81.1 | Confident | 75.1 | Confident | 47 Ų | 47 | 65.1 Ų | 65.1 | 29% | 0.288 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -107.5 | 4.9 | -176.3 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | C189 G190 E191 R292 | C189-T193 PolarHBondContact O-N 3.42Å; C189-T193 PolarHBondContact O-OG1 3.36Å; G190-T193 CarbonylContact O-C 3.56Å; G190-T193 PolarHBondContact O-N 2.69Å; G190-T193 PolarHBondContact O-OG1 3.17Å; E191-T193 VanDerWaalsContact C-N 3.32Å; T193-R292 VanDerWaalsContact O-CZ 3.28Å; T193-R292 PolarHBondContact O-NH1 3.41Å; T193-R292 PolarHBondContact O-NH2 3.15Å |
| 194 | A | 77.9 | Confident | 73.6 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 31% | 0.306 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -67.7 | 133.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G190 R196 | G190-A194 WeakPolarHBondContact O-CB 3.26Å; G190-A194 PolarHBondContact O-N 2.88Å; A194-R196 PolarHBondContact O-N 3.07Å |
| 195 | P | 73.1 | Confident | 72.1 | Confident | 99 Ų | 99 | 68 Ų | 68 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 128 | 173.3 | -20 | 31.9 | 0 | 0 | 0 | 111.4 | T197 D288 | P195-T197 PolarHBondContact O-N 3.15Å; P195-D288 WeakPolarHBondContact CA-OD1 3.37Å |
| 196 | R | 73.9 | Confident | 71.1 | Confident | 113 Ų | 113 | 74.8 Ų | 74.8 | 43% | 0.426 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 117.9 | 176.1 | -62.1 | -65.6 | 168.5 | 135.5 | -11.8 | 110.8 | E191 A194 Y287 D288 | E191-R196 PolarHBondContact O-NH2 2.85Å; A194-R196 PolarHBondContact O-N 3.07Å; R196-Y287 HydrophobicContact CB-CD1 4.31Å; R196-Y287 HydrophobicContact CB-CE1 4.12Å; R196-D288 PolarHBondContact N-OD1 3.06Å |
| 197 | T | 69.7 | Low | 69.7 | Low | 115 Ų | 115 | 78.1 Ų | 78.1 | 71% | 0.706 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 157.7 | 168.4 | 43.6 | 0 | 0 | 0 | 0 | 110.7 | P195 Y287 | P195-T197 PolarHBondContact O-N 3.15Å; T197-Y287 WeakPolarHBondContact O-CE1 3.37Å |
| 198 | L | 64.9 | Low | 68.4 | Low | 41 Ų | 41 | 80 Ų | 80 | 22% | 0.215 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 140.8 | 169.2 | -78.2 | 168.3 | 0 | 0 | 0 | 109.2 | S200 C283 R284 Y287 | L198-S200 PolarHBondContact O-N 3.24Å; L198-C283 HydrophobicContact CD1-CB 4.43Å; L198-R284 HydrophobicContact CB-CG 4.46Å; L198-R284 HydrophobicContact CD1-CG 3.6Å; L198-R284 HydrophobicContact CG-CG 3.68Å; L198-Y287 HydrophobicContact CD2-CD1 4.33Å; L198-Y287 HydrophobicContact CD2-CD2 4.22Å; L198-Y287 HydrophobicContact CD2-CG 3.9Å |
| 199 | P | 66.5 | Low | 67.2 | Low | 96 Ų | 96 | 83 Ų | 83 | 62% | 0.623 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 118.8 | 176.4 | 27.1 | -33.1 | 0 | 0 | 0 | 110.2 | ||
| 200 | S | 66.6 | Low | 66.3 | Low | 65 Ų | 65 | 85.6 Ų | 85.6 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 132.6 | 167.2 | 49.5 | 0 | 0 | 0 | 0 | 109.4 | L198 | L198-S200 PolarHBondContact O-N 3.24Š|
| 201 | C | 57.3 | Low | 66.4 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 51% | 0.514 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.2 | -179.6 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | A203 C210 | C201-A203 VanDerWaalsContact C-N 3.33Å; C201-A203 PolarHBondContact O-N 3.43Å; C201-A203 VanDerWaalsContact O-N 3.07Å; C201-C210 PolarHBondContact N-O 3.09Å; C201-C210 VanDerWaalsContact N-O 3.15Å; C201-C210 PolarHBondContact O-N 3.22Å; C201-C210 VanDerWaalsContact SG-CB 3.55Å |
| 202 | L | 55.7 | Low | 66.4 | Low | 79 Ų | 79 | 80.4 Ų | 80.4 | 41% | 0.414 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 80.7 | 172.4 | -84.6 | 169.4 | 0 | 0 | 0 | 109.8 | R206 C208 L209 | L202-R206 HydrophobicContact CB-CB 4.32Å; L202-R206 HydrophobicContact CB-CG 4.06Å; L202-R206 HydrophobicContact CD1-CB 4.45Å; L202-R206 HydrophobicContact CD1-CG 4.29Å; L202-R206 HydrophobicContact CD2-CB 4.41Å; L202-C208 CarbonylContact C-O 3.25Å; L202-C208 WeakPolarHBondContact CA-O 3.36Å; L202-L209 HydrophobicContact CD2-CD2 3.52Å; L202-L209 HydrophobicContact CD2-CG 3.79Å; L202-L209 HydrophobicContact CG-CD2 3.85Å |
| 203 | A | 54.4 | Low | 66.5 | Low | 31 Ų | 31 | 83.7 Ų | 83.7 | 26% | 0.256 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.6 | 173.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | C201 R206 Q207 C208 C210 | C201-A203 VanDerWaalsContact C-N 3.33Å; C201-A203 PolarHBondContact O-N 3.43Å; C201-A203 VanDerWaalsContact O-N 3.07Å; A203-R206 PolarHBondContact O-N 3.48Å; A203-Q207 PolarHBondContact O-N 2.85Å; A203-C208 HydrophobicContact CB-CB 4.46Å; A203-C208 PolarHBondContact N-O 2.62Å; A203-C208 PolarHBondContact O-N 3.46Å; A203-C210 HydrophobicContact CB-CB 4.09Å; A203-C210 VanDerWaalsContact CB-SG 3.53Å |
| 204 | C | 52.3 | Low | 66.5 | Low | 86 Ų | 86 | 83.6 Ų | 83.6 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | 48.3 | 65.9 | 174.4 | -59.2 | 0 | 0 | 0 | 0 | 113.2 | R206 Q207 C208 | C204-R206 VanDerWaalsContact C-N 3.25Å; C204-R206 PolarHBondContact O-N 2.98Å; C204-Q207 VanDerWaalsContact O-CB 3.3Å; C204-Q207 WeakPolarHBondContact O-CB 3.33Å; C204-Q207 PolarHBondContact O-N 3.43Å; C204-C208 HydrophobicContact CB-CB 4.07Å |
| 205 | N | 55.3 | Low | 66.8 | Low | 153 Ų | 153 | 88.3 Ų | 88.3 | 82% | 0.818 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | 53.1 | 38.4 | 177.7 | -61.7 | -30.6 | 0 | 0 | 0 | 114.2 | Q207 | N205-Q207 PolarHBondContact O-N 3.37Å |
| 206 | R | 59.5 | Low | 67.5 | Low | 199 Ų | 199 | 84.5 Ų | 84.5 | 75% | 0.751 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | 62.2 | 20 | -174.5 | -58.2 | -166.5 | 159.6 | -146.5 | -5.7 | 115.7 | L202 A203 C204 | L202-R206 HydrophobicContact CB-CB 4.32Å; L202-R206 HydrophobicContact CB-CG 4.06Å; L202-R206 HydrophobicContact CD1-CB 4.45Å; L202-R206 HydrophobicContact CD1-CG 4.29Å; L202-R206 HydrophobicContact CD2-CB 4.41Å; A203-R206 PolarHBondContact O-N 3.48Å; C204-R206 VanDerWaalsContact C-N 3.25Å; C204-R206 PolarHBondContact O-N 2.98Å |
| 207 | Q | 58.4 | Low | 68.2 | Low | 165 Ų | 165 | 81.3 Ų | 81.3 | 77% | 0.771 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -18.8 | 177.2 | -56.6 | 178.6 | 11 | 0 | 0 | 112.7 | A203 C204 N205 | A203-Q207 PolarHBondContact O-N 2.85Å; C204-Q207 VanDerWaalsContact O-CB 3.3Å; C204-Q207 WeakPolarHBondContact O-CB 3.33Å; C204-Q207 PolarHBondContact O-N 3.43Å; N205-Q207 PolarHBondContact O-N 3.37Å |
| 208 | C | 60.2 | Low | 69 | Low | 55 Ų | 55 | 84 Ų | 84 | 37% | 0.372 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.8 | -179.8 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | L202 A203 C204 C210 | L202-C208 CarbonylContact C-O 3.25Å; L202-C208 WeakPolarHBondContact CA-O 3.36Å; A203-C208 HydrophobicContact CB-CB 4.46Å; A203-C208 PolarHBondContact N-O 2.62Å; A203-C208 PolarHBondContact O-N 3.46Å; C204-C208 HydrophobicContact CB-CB 4.07Å; C208-C210 PolarHBondContact O-N 3.3Å; C208-C210 VanDerWaalsContact O-N 3.12Å |
| 209 | L | 62 | Low | 69.9 | Low | 116 Ų | 116 | 85 Ų | 85 | 61% | 0.607 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 91.7 | 164.6 | -80.8 | 168.1 | 0 | 0 | 0 | 109.2 | L202 S211 | L202-L209 HydrophobicContact CD2-CD2 3.52Å; L202-L209 HydrophobicContact CD2-CG 3.79Å; L202-L209 HydrophobicContact CG-CD2 3.85Å; L209-S211 VanDerWaalsContact C-N 3.26Å; L209-S211 PolarHBondContact O-N 2.88Å |
| 210 | C | 64.8 | Low | 71 | Confident | 61 Ų | 61 | 80.8 Ų | 80.8 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 81.6 | 170 | -78 | 0 | 0 | 0 | 0 | 109.4 | C201 A203 C208 | C201-C210 PolarHBondContact N-O 3.09Å; C201-C210 VanDerWaalsContact N-O 3.15Å; C201-C210 PolarHBondContact O-N 3.22Å; C201-C210 VanDerWaalsContact SG-CB 3.55Å; A203-C210 HydrophobicContact CB-CB 4.09Å; A203-C210 VanDerWaalsContact CB-SG 3.53Å; C208-C210 PolarHBondContact O-N 3.3Å; C208-C210 VanDerWaalsContact O-N 3.12Å |
| 211 | S | 78.1 | Confident | 72.1 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 11% | 0.112 | 43% | 0.431 | C | S | . | . | trans | -80 | 145.3 | 159.9 | -174.4 | 0 | 0 | 0 | 0 | 110.8 | L209 E213 S214 M215 | L209-S211 VanDerWaalsContact C-N 3.26Å; L209-S211 PolarHBondContact O-N 2.88Å; S211-E213 PolarHBondContact O-N 3.41Å; S211-E213 PolarHBondContact OG-N 3.42Å; S211-E213 PolarHBondContact OG-OE1 3.1Å; S211-E213 PolarHBondContact OG-OE2 3.17Å; S211-S214 PolarHBondContact O-N 3.15Å; S211-M215 PolarHBondContact O-N 3.41Å; S211-M215 VanDerWaalsContact O-N 3.11Å | ||
| 212 | A | 80.8 | Confident | 73.5 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.7 | -27.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V216 L280 | A212-V216 PolarHBondContact O-N 3.13Å; A212-L280 HydrophobicContact CB-CD2 3.65Å; A212-L280 WeakPolarHBondContact O-CD1 3.15Å |
| 213 | E | 83.4 | Confident | 75 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -56 | -57.6 | 169 | -71.8 | 80.5 | -104 | 0 | 0 | 111.4 | S211 M215 V216 E217 R284 | S211-E213 PolarHBondContact O-N 3.41Å; S211-E213 PolarHBondContact OG-N 3.42Å; S211-E213 PolarHBondContact OG-OE1 3.1Å; S211-E213 PolarHBondContact OG-OE2 3.17Å; E213-M215 VanDerWaalsContact C-N 3.34Å; E213-M215 PolarHBondContact O-N 3.18Å; E213-V216 PolarHBondContact O-N 3.29Å; E213-E217 PolarHBondContact O-N 3.11Å; E213-R284 VanDerWaalsContact CD-NH2 3.31Å; E213-R284 VanDerWaalsContact CG-NH2 3.33Å; E213-R284 IonicContact OE1-CZ 2.62Å; E213-R284 VanDerWaalsContact OE1-CZ 3.29Å; E213-R284 IonicContact OE1-NE 2.69Å; E213-R284 PolarHBondContact OE1-NE 2.98Å; E213-R284 IonicContact OE1-NH2 3.37Å; E213-R284 PolarHBondContact OE1-NH2 3.34Å |
| 214 | S | 81.9 | Confident | 76.6 | Confident | 45 Ų | 45 | 76.3 Ų | 76.3 | 32% | 0.315 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | -175.5 | -49.4 | 0 | 0 | 0 | 0 | 111.3 | S211 V216 E217 Y218 | S211-S214 PolarHBondContact O-N 3.15Å; S214-V216 VanDerWaalsContact C-N 3.29Å; S214-V216 PolarHBondContact O-N 3.12Å; S214-E217 PolarHBondContact O-N 3.43Å; S214-E217 VanDerWaalsContact O-N 3.16Å; S214-Y218 WeakPolarHBondContact O-CD2 2.97Å; S214-Y218 PolarHBondContact O-N 2.93Å |
| 215 | M | 84.4 | Confident | 78.3 | Confident | 136 Ų | 136 | 72.3 Ų | 72.3 | 67% | 0.67 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.9 | -41.2 | 176.5 | -172.4 | -179.9 | 71.3 | 0 | 0 | 112.1 | S211 E213 G219 | S211-M215 PolarHBondContact O-N 3.41Å; S211-M215 VanDerWaalsContact O-N 3.11Å; E213-M215 VanDerWaalsContact C-N 3.34Å; E213-M215 PolarHBondContact O-N 3.18Å; M215-G219 PolarHBondContact O-N 3.32Å |
| 216 | V | 87.8 | Confident | 79.8 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 11% | 0.109 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.2 | -40.1 | 175.3 | 167.4 | 0 | 0 | 0 | 0 | 111.6 | A212 E213 S214 Y218 T220 Y273 A276 L280 | A212-V216 PolarHBondContact O-N 3.13Å; E213-V216 PolarHBondContact O-N 3.29Å; S214-V216 VanDerWaalsContact C-N 3.29Å; S214-V216 PolarHBondContact O-N 3.12Å; V216-Y218 PolarHBondContact O-N 2.89Å; V216-T220 HydrophobicContact CG1-CG2 4.1Å; V216-T220 VanDerWaalsContact O-CB 3.32Å; V216-T220 WeakPolarHBondContact O-CB 3.48Å; V216-T220 VanDerWaalsContact O-CG2 3.29Å; V216-T220 WeakPolarHBondContact O-CG2 3.41Å; V216-T220 PolarHBondContact O-N 2.95Å; V216-T220 PolarHBondContact O-OG1 2.79Å; V216-Y273 HydrophobicContact CG1-CD2 3.81Å; V216-Y273 HydrophobicContact CG1-CE2 4.07Å; V216-A276 HydrophobicContact CG1-CB 3.71Å; V216-A276 HydrophobicContact CG2-CB 4.06Å; V216-L280 HydrophobicContact CB-CD1 3.89Å; V216-L280 HydrophobicContact CG1-CD1 4.38Å; V216-L280 HydrophobicContact CG2-CD1 3.64Å; V216-L280 HydrophobicContact CG2-CD2 4.35Å; V216-L280 HydrophobicContact CG2-CG 4.01Å |
| 217 | E | 87.4 | Confident | 81 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 179.6 | -69.7 | -162.6 | 160.1 | 0 | 0 | 113.9 | E213 S214 M222 C223 K226 Y273 | E213-E217 PolarHBondContact O-N 3.11Å; S214-E217 PolarHBondContact O-N 3.43Å; S214-E217 VanDerWaalsContact O-N 3.16Å; E217-M222 PolarHBondContact O-N 2.98Å; E217-M222 VanDerWaalsContact O-N 3.1Å; E217-C223 PolarHBondContact O-N 2.6Å; E217-C223 VanDerWaalsContact O-N 3.09Å; E217-K226 WeakPolarHBondContact OE1-CE 3.4Å; E217-K226 IonicContact OE1-NZ 3.42Å; E217-K226 PolarHBondContact OE1-NZ 3.13Å; E217-K226 IonicContact OE2-NZ 2.87Å; E217-K226 PolarHBondContact OE2-NZ 3.19Å; E217-Y273 HydrophobicContact CG-CE2 3.92Å; E217-Y273 PolarHBondContact OE1-OH 2.94Å; E217-Y273 VanDerWaalsContact OE1-OH 3.13Å |
| 218 | Y | 86.3 | Confident | 82.2 | Confident | 171 Ų | 171 | 54.1 Ų | 54.1 | 67% | 0.671 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -76.3 | -48.2 | 172.3 | -66.1 | -61.5 | 0 | 0 | 0 | 112.1 | S214 V216 T220 C221 C223 | S214-Y218 WeakPolarHBondContact O-CD2 2.97Å; S214-Y218 PolarHBondContact O-N 2.93Å; V216-Y218 PolarHBondContact O-N 2.89Å; Y218-T220 VanDerWaalsContact C-N 3.25Å; Y218-T220 PolarHBondContact O-N 3.24Å; Y218-C221 PolarHBondContact O-N 3.02Å; Y218-C221 VanDerWaalsContact O-N 3.13Å; Y218-C223 HydrophobicContact CD1-CB 3.87Å; Y218-C223 HydrophobicContact CE1-CB 4.01Å |
| 219 | G | 85.1 | Confident | 83.3 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 63% | 0.629 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.7 | -19.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | M215 | M215-G219 PolarHBondContact O-N 3.32Å |
| 220 | T | 89.6 | Confident | 84.2 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 8.2 | 175.8 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | V216 Y218 M222 C269 L270 C272 Y273 A276 | V216-T220 HydrophobicContact CG1-CG2 4.1Å; V216-T220 VanDerWaalsContact O-CB 3.32Å; V216-T220 WeakPolarHBondContact O-CB 3.48Å; V216-T220 VanDerWaalsContact O-CG2 3.29Å; V216-T220 WeakPolarHBondContact O-CG2 3.41Å; V216-T220 PolarHBondContact O-N 2.95Å; V216-T220 PolarHBondContact O-OG1 2.79Å; Y218-T220 VanDerWaalsContact C-N 3.25Å; Y218-T220 PolarHBondContact O-N 3.24Å; T220-M222 PolarHBondContact O-N 3.49Å; T220-M222 VanDerWaalsContact O-N 3.1Å; T220-C269 WeakPolarHBondContact CA-O 3.16Å; T220-C269 WeakPolarHBondContact CB-O 3.41Å; T220-C269 CarbonylContact O-C 3.59Å; T220-C269 VanDerWaalsContact O-C 3.25Å; T220-L270 WeakPolarHBondContact O-CA 3.31Å; T220-L270 WeakPolarHBondContact O-CD2 3.38Å; T220-L270 PolarHBondContact O-N 3.24Å; T220-C272 HydrophobicContact CG2-CB 4.16Å; T220-Y273 HydrophobicContact CG2-CD2 4.45Å; T220-Y273 VanDerWaalsContact OG1-CD2 3.24Å; T220-Y273 WeakPolarHBondContact OG1-CD2 3.43Å; T220-A276 HydrophobicContact CG2-CB 4.41Å |
| 221 | C | 89.7 | Confident | 84.9 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 8.2 | -177.9 | -44.9 | 0 | 0 | 0 | 0 | 115.1 | Y218 C223 L224 L267 C269 L270 | Y218-C221 PolarHBondContact O-N 3.02Å; Y218-C221 VanDerWaalsContact O-N 3.13Å; C221-C223 PolarHBondContact O-N 2.92Å; C221-L224 HydrophobicContact CB-CD1 4.33Å; C221-L224 WeakPolarHBondContact O-CB 3.04Å; C221-L224 PolarHBondContact O-N 3.16Å; C221-L267 HydrophobicContact CB-CB 4.37Å; C221-L267 HydrophobicContact CB-CD1 4.25Å; C221-L267 HydrophobicContact CB-CD2 4.24Å; C221-C269 HydrophobicContact CB-CB 4.11Å; C221-C269 WeakPolarHBondContact CB-SG 3.26Å; C221-C269 WeakPolarHBondContact SG-CB 3.2Å; C221-C269 CovalentContact SG-SG 2.04Å; C221-C269 PolarHBondContact SG-SG 3.34Å; C221-L270 HydrophobicContact CB-CD2 4.36Å; C221-L270 HydrophobicContact CB-CG 4.46Å |
| 222 | M | 87.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -28.1 | 179.7 | -176.2 | 57.1 | 50.6 | 0 | 0 | 112.5 | E217 T220 L224 V225 K226 P245 M260 L270 Y273 | E217-M222 PolarHBondContact O-N 2.98Å; E217-M222 VanDerWaalsContact O-N 3.1Å; T220-M222 PolarHBondContact O-N 3.49Å; T220-M222 VanDerWaalsContact O-N 3.1Å; M222-L224 PolarHBondContact O-N 3.18Å; M222-V225 PolarHBondContact O-N 3.22Å; M222-V225 VanDerWaalsContact O-N 3.16Å; M222-V225 HydrophobicContact SD-CB 3.93Å; M222-V225 HydrophobicContact SD-CG1 4.05Å; M222-K226 PolarHBondContact O-N 3.11Å; M222-P245 HydrophobicContact SD-CB 4.47Å; M222-P245 HydrophobicContact SD-CG 3.87Å; M222-M260 HydrophobicContact CE-CE 3.7Å; M222-M260 HydrophobicContact SD-CE 4.2Å; M222-L270 HydrophobicContact CE-CD2 3.71Å; M222-Y273 HydrophobicContact CB-CD2 3.94Å; M222-Y273 HydrophobicContact CB-CE2 3.94Å; M222-Y273 HydrophobicContact CB-CG 4.3Å; M222-Y273 HydrophobicContact CE-CD1 3.49Å; M222-Y273 VanDerWaalsContact CE-CD1 3.49Å; M222-Y273 HydrophobicContact CE-CD2 4.45Å; M222-Y273 HydrophobicContact CE-CE1 3.86Å; M222-Y273 HydrophobicContact CE-CG 3.76Å; M222-Y273 HydrophobicContact CG-CD1 4.35Å; M222-Y273 HydrophobicContact CG-CD2 4.17Å; M222-Y273 HydrophobicContact CG-CE1 3.97Å; M222-Y273 HydrophobicContact CG-CE2 3.82Å; M222-Y273 HydrophobicContact CG-CG 4.38Å; M222-Y273 HydrophobicContact SD-CD1 4.45Å; M222-Y273 HydrophobicContact SD-CE1 4.23Å |
| 223 | C | 86.8 | Confident | 84.1 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 28% | 0.284 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.1 | -35.7 | 170.3 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | E217 Y218 C221 G227 | E217-C223 PolarHBondContact O-N 2.6Å; E217-C223 VanDerWaalsContact O-N 3.09Å; Y218-C223 HydrophobicContact CD1-CB 3.87Å; Y218-C223 HydrophobicContact CE1-CB 4.01Å; C221-C223 PolarHBondContact O-N 2.92Å; C223-G227 PolarHBondContact O-N 3.35Å |
| 224 | L | 87.6 | Confident | 82.9 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.3 | -39.9 | 178 | -57.2 | 179.7 | 0 | 0 | 0 | 111.1 | C221 M222 G227 I228 L267 | C221-L224 HydrophobicContact CB-CD1 4.33Å; C221-L224 WeakPolarHBondContact O-CB 3.04Å; C221-L224 PolarHBondContact O-N 3.16Å; M222-L224 PolarHBondContact O-N 3.18Å; L224-G227 PolarHBondContact O-N 3.04Å; L224-I228 VanDerWaalsContact O-CG1 3.29Å; L224-I228 WeakPolarHBondContact O-CG1 3.18Å; L224-I228 PolarHBondContact O-N 2.94Å; L224-L267 HydrophobicContact CB-CD1 4.41Å; L224-L267 HydrophobicContact CD1-CD1 3.82Å; L224-L267 HydrophobicContact CD1-CD2 4.16Å |
| 225 | V | 87.2 | Confident | 81.9 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | M222 G227 I228 F229 P245 M260 L270 | M222-V225 PolarHBondContact O-N 3.22Å; M222-V225 VanDerWaalsContact O-N 3.16Å; M222-V225 HydrophobicContact SD-CB 3.93Å; M222-V225 HydrophobicContact SD-CG1 4.05Å; V225-G227 PolarHBondContact O-N 3.1Å; V225-I228 PolarHBondContact O-N 2.59Å; V225-F229 HydrophobicContact CG1-CD2 3.59Å; V225-F229 HydrophobicContact CG1-CE2 3.35Å; V225-F229 HydrophobicContact CG1-CZ 4.22Å; V225-F229 WeakPolarHBondContact O-CB 3.14Å; V225-F229 WeakPolarHBondContact O-CD2 3.43Å; V225-F229 WeakPolarHBondContact O-CG 3.28Å; V225-F229 PolarHBondContact O-N 3.06Å; V225-P245 HydrophobicContact CG1-CB 4.26Å; V225-M260 HydrophobicContact CG1-CE 4.16Å; V225-M260 HydrophobicContact CG1-CG 3.99Å; V225-M260 HydrophobicContact CG1-SD 4.28Å; V225-L270 HydrophobicContact CG2-CD1 3.77Å; V225-L270 HydrophobicContact CG2-CD2 3.61Å; V225-L270 HydrophobicContact CG2-CG 4.39Å |
| 226 | K | 86.9 | Confident | 80.6 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 19% | 0.191 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 172.5 | -66.7 | -165.5 | 175.1 | 175.1 | 0 | 112.1 | E217 M222 F229 Y230 S242 | E217-K226 WeakPolarHBondContact OE1-CE 3.4Å; E217-K226 IonicContact OE1-NZ 3.42Å; E217-K226 PolarHBondContact OE1-NZ 3.13Å; E217-K226 IonicContact OE2-NZ 2.87Å; E217-K226 PolarHBondContact OE2-NZ 3.19Å; M222-K226 PolarHBondContact O-N 3.11Å; K226-F229 PolarHBondContact O-N 2.04Å; K226-Y230 WeakPolarHBondContact O-CB 3.22Å; K226-Y230 PolarHBondContact O-N 3.24Å; K226-S242 VanDerWaalsContact CG-O 3.27Å; K226-S242 WeakPolarHBondContact CG-O 3.4Å |
| 227 | G | 85.1 | Confident | 79.1 | Confident | 31 Ų | 31 | 74.1 Ų | 74.1 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | C223 L224 V225 Y230 H231 | C223-G227 PolarHBondContact O-N 3.35Å; L224-G227 PolarHBondContact O-N 3.04Å; V225-G227 PolarHBondContact O-N 3.1Å; G227-Y230 PolarHBondContact O-N 3.26Å; G227-H231 PolarHBondContact O-CD2 3.31Å; G227-H231 VanDerWaalsContact O-CD2 3.3Å; G227-H231 PolarHBondContact O-N 3.42Å; G227-H231 VanDerWaalsContact O-N 3.1Å |
| 228 | I | 83.8 | Confident | 77.6 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 31% | 0.308 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 173.9 | -68.6 | 163.3 | 0 | 0 | 0 | 110 | L224 V225 Y230 H231 C232 M263 | L224-I228 VanDerWaalsContact O-CG1 3.29Å; L224-I228 WeakPolarHBondContact O-CG1 3.18Å; L224-I228 PolarHBondContact O-N 2.94Å; V225-I228 PolarHBondContact O-N 2.59Å; I228-Y230 VanDerWaalsContact C-N 3.27Å; I228-Y230 PolarHBondContact O-N 3.13Å; I228-H231 CarbonylContact O-C 3.38Å; I228-H231 PolarHBondContact O-N 2.94Å; I228-C232 WeakPolarHBondContact O-CB 3.31Å; I228-C232 PolarHBondContact O-N 3.24Å; I228-C232 PolarHBondContact O-SG 2.95Å; I228-M263 HydrophobicContact CD1-CE 3.55Å; I228-M263 HydrophobicContact CD1-SD 4.09Å |
| 229 | F | 83.3 | Confident | 76 | Confident | 15 Ų | 15 | 73.3 Ų | 73.3 | 7% | 0.066 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.3 | -21.9 | 177.5 | -69 | -35.8 | 0 | 0 | 0 | 114.4 | V225 K226 S233 Y241 P245 R256 C259 M260 | V225-F229 HydrophobicContact CG1-CD2 3.59Å; V225-F229 HydrophobicContact CG1-CE2 3.35Å; V225-F229 HydrophobicContact CG1-CZ 4.22Å; V225-F229 WeakPolarHBondContact O-CB 3.14Å; V225-F229 WeakPolarHBondContact O-CD2 3.43Å; V225-F229 WeakPolarHBondContact O-CG 3.28Å; V225-F229 PolarHBondContact O-N 3.06Å; K226-F229 PolarHBondContact O-N 2.04Å; F229-S233 PolarHBondContact O-N 3Å; F229-Y241 HydrophobicContact CB-CD1 3.94Å; F229-Y241 HydrophobicContact CB-CE1 3.95Å; F229-Y241 HydrophobicContact CD1-CD1 4.31Å; F229-Y241 AromaticContact CD1-CE1 3.69Å; F229-Y241 HydrophobicContact CD1-CE1 3.69Å; F229-Y241 HydrophobicContact CD2-CD1 4.22Å; F229-Y241 AromaticContact CD2-CE1 3.41Å; F229-Y241 HydrophobicContact CD2-CE1 3.41Å; F229-Y241 VanDerWaalsContact CD2-CE1 3.41Å; F229-Y241 AromaticContact CD2-CZ 3.86Å; F229-Y241 AromaticContact CE1-CE1 3.93Å; F229-Y241 HydrophobicContact CE1-CE1 3.93Å; F229-Y241 AromaticContact CE2-CE1 3.65Å; F229-Y241 HydrophobicContact CE2-CE1 3.65Å; F229-Y241 AromaticContact CE2-CZ 3.79Å; F229-Y241 WeakPolarHBondContact CE2-OH 3.22Å; F229-Y241 AromaticContact CG-CD1 3.94Å; F229-Y241 HydrophobicContact CG-CD1 3.94Å; F229-Y241 AromaticContact CG-CE1 3.43Å; F229-Y241 HydrophobicContact CG-CE1 3.43Å; F229-Y241 VanDerWaalsContact CG-CE1 3.43Å; F229-Y241 AromaticContact CZ-CE1 3.9Å; F229-Y241 HydrophobicContact CZ-CE1 3.9Å; F229-P245 HydrophobicContact CD2-CB 3.95Å; F229-P245 HydrophobicContact CE2-CB 3.94Å; F229-R256 HydrophobicContact CZ-CB 4.42Å; F229-C259 HydrophobicContact CE1-CB 4.25Å; F229-C259 HydrophobicContact CZ-CB 4.38Å; F229-M260 HydrophobicContact CE2-CG 3.79Å; F229-M260 HydrophobicContact CE2-SD 4.07Å; F229-M260 HydrophobicContact CZ-CG 3.79Å |
| 230 | Y | 80.9 | Confident | 74.8 | Confident | 124 Ų | 124 | 73.5 Ų | 73.5 | 49% | 0.486 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67 | -51.2 | 167 | 179.9 | -117.2 | 0 | 0 | 0 | 110.7 | K226 G227 I228 C232 S233 | K226-Y230 WeakPolarHBondContact O-CB 3.22Å; K226-Y230 PolarHBondContact O-N 3.24Å; G227-Y230 PolarHBondContact O-N 3.26Å; I228-Y230 VanDerWaalsContact C-N 3.27Å; I228-Y230 PolarHBondContact O-N 3.13Å; Y230-C232 VanDerWaalsContact C-N 3.29Å; Y230-C232 PolarHBondContact O-N 3.1Å; Y230-S233 PolarHBondContact O-N 3.09Å |
| 231 | H | 80.4 | Confident | 73.4 | Confident | 161 Ų | 161 | 73.9 Ų | 73.9 | 75% | 0.745 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -72.3 | -15.1 | 177.5 | -71.5 | -57.8 | 0 | 0 | 0 | 115.3 | G227 I228 | G227-H231 PolarHBondContact O-CD2 3.31Å; G227-H231 VanDerWaalsContact O-CD2 3.3Å; G227-H231 PolarHBondContact O-N 3.42Å; G227-H231 VanDerWaalsContact O-N 3.1Å; I228-H231 CarbonylContact O-C 3.38Å; I228-H231 PolarHBondContact O-N 2.94Å |
| 232 | C | 72.3 | Confident | 72 | Confident | 99 Ų | 99 | 73.4 Ų | 73.4 | 67% | 0.669 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 3.8 | 174.6 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | I228 Y230 | I228-C232 WeakPolarHBondContact O-CB 3.31Å; I228-C232 PolarHBondContact O-N 3.24Å; I228-C232 PolarHBondContact O-SG 2.95Å; Y230-C232 VanDerWaalsContact C-N 3.29Å; Y230-C232 PolarHBondContact O-N 3.1Å |
| 233 | S | 69.1 | Low | 70.9 | Confident | 37 Ų | 37 | 78.4 Ų | 78.4 | 26% | 0.259 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -89.7 | 135.9 | 162.6 | -159.9 | 0 | 0 | 0 | 0 | 108.3 | F229 Y230 | F229-S233 PolarHBondContact O-N 3Å; Y230-S233 PolarHBondContact O-N 3.09Å |
| 234 | N | 59 | Low | 69.9 | Low | 115 Ų | 115 | 81.6 Ų | 81.6 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | trans | -68.2 | 139.9 | 159.2 | -88.9 | 23.8 | 0 | 0 | 0 | 108 | D236 E237 | N234-D236 PolarHBondContact O-N 3.1Å; N234-E237 PolarHBondContact O-N 2.69Å | ||
| 235 | D | 59.7 | Low | 68.8 | Low | 144 Ų | 144 | 77.6 Ų | 77.6 | 77% | 0.77 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12 | 176.8 | -75.3 | -57.8 | 0 | 0 | 0 | 113.1 | ||
| 236 | D | 56.8 | Low | 67.8 | Low | 135 Ų | 135 | 80.4 Ų | 80.4 | 72% | 0.722 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -25.7 | 178.5 | -53.5 | -67.2 | 0 | 0 | 0 | 113.5 | N234 | N234-D236 PolarHBondContact O-N 3.1Š|
| 237 | E | 56.8 | Low | 67 | Low | 145 Ų | 145 | 80.2 Ų | 80.2 | 68% | 0.678 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -98.8 | 95.8 | -175.8 | -64.6 | -66.2 | 156.4 | 0 | 0 | 110.4 | N234 D239 | N234-E237 PolarHBondContact O-N 2.69Å; E237-D239 PolarHBondContact O-N 2.84Å |
| 238 | G | 55.1 | Low | 65.9 | Low | 76 Ų | 76 | 83 Ų | 83 | 78% | 0.784 | 47% | 0.47 | S | S | * | . | trans | -61.7 | -4.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | S240 | G238-S240 PolarHBondContact O-N 3.13Š| ||
| 239 | D | 54 | Low | 64.9 | Low | 124 Ų | 124 | 85.4 Ų | 85.4 | 66% | 0.663 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -85.6 | 79.2 | 175.4 | -81.1 | -16.7 | 0 | 0 | 0 | 111.1 | E237 Y241 | E237-D239 PolarHBondContact O-N 2.84Å; D239-Y241 PolarHBondContact O-N 2.81Å |
| 240 | S | 59.5 | Low | 63.9 | Low | 66 Ų | 66 | 87.6 Ų | 87.6 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | trans | -54.7 | 92.6 | -179 | -88.5 | 0 | 0 | 0 | 0 | 113.9 | G238 S242 D243 | G238-S240 PolarHBondContact O-N 3.13Å; S240-S242 PolarHBondContact O-N 3.08Å; S240-D243 PolarHBondContact O-N 3.46Å | ||
| 241 | Y | 60.2 | Low | 63.1 | Low | 16 Ų | 16 | 86.6 Ų | 86.6 | 6% | 0.063 | 51% | 0.514 | C | S | . | . | G | 310 helix | trans | -65.3 | -24 | 179.3 | 170.3 | -119.6 | 0 | 0 | 0 | 113.2 | F229 D239 D243 N244 P245 R256 | F229-Y241 HydrophobicContact CB-CD1 3.94Å; F229-Y241 HydrophobicContact CB-CE1 3.95Å; F229-Y241 HydrophobicContact CD1-CD1 4.31Å; F229-Y241 AromaticContact CD1-CE1 3.69Å; F229-Y241 HydrophobicContact CD1-CE1 3.69Å; F229-Y241 HydrophobicContact CD2-CD1 4.22Å; F229-Y241 AromaticContact CD2-CE1 3.41Å; F229-Y241 HydrophobicContact CD2-CE1 3.41Å; F229-Y241 VanDerWaalsContact CD2-CE1 3.41Å; F229-Y241 AromaticContact CD2-CZ 3.86Å; F229-Y241 AromaticContact CE1-CE1 3.93Å; F229-Y241 HydrophobicContact CE1-CE1 3.93Å; F229-Y241 AromaticContact CE2-CE1 3.65Å; F229-Y241 HydrophobicContact CE2-CE1 3.65Å; F229-Y241 AromaticContact CE2-CZ 3.79Å; F229-Y241 WeakPolarHBondContact CE2-OH 3.22Å; F229-Y241 AromaticContact CG-CD1 3.94Å; F229-Y241 HydrophobicContact CG-CD1 3.94Å; F229-Y241 AromaticContact CG-CE1 3.43Å; F229-Y241 HydrophobicContact CG-CE1 3.43Å; F229-Y241 VanDerWaalsContact CG-CE1 3.43Å; F229-Y241 AromaticContact CZ-CE1 3.9Å; F229-Y241 HydrophobicContact CZ-CE1 3.9Å; D239-Y241 PolarHBondContact O-N 2.81Å; Y241-D243 PolarHBondContact O-N 3.29Å; Y241-D243 VanDerWaalsContact O-N 3.14Å; Y241-N244 VanDerWaalsContact CE2-O 3.31Å; Y241-N244 WeakPolarHBondContact CE2-O 3.48Å; Y241-N244 CarbonylContact O-C 3.57Å; Y241-N244 PolarHBondContact O-N 3.21Å; Y241-P245 WeakPolarHBondContact CE2-O 3.33Å; Y241-P245 WeakPolarHBondContact OH-CA 3.41Å; Y241-P245 PolarHBondContact OH-O 2.87Å; Y241-R256 HydrophobicContact CD1-CG 4.48Å; Y241-R256 VanDerWaalsContact CD1-CZ 3.47Å; Y241-R256 VanDerWaalsContact CD2-CZ 3.4Å; Y241-R256 HydrophobicContact CE1-CB 4.32Å; Y241-R256 VanDerWaalsContact CE1-CD 3.49Å; Y241-R256 HydrophobicContact CE1-CG 3.59Å; Y241-R256 VanDerWaalsContact CE1-NE 3.33Å; Y241-R256 WeakPolarHBondContact OH-CB 3.07Å |
| 242 | S | 59.5 | Low | 62.5 | Low | 15 Ų | 15 | 84.5 Ų | 84.5 | 11% | 0.105 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -48.3 | -34.5 | 173 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | K226 S240 | K226-S242 VanDerWaalsContact CG-O 3.27Å; K226-S242 WeakPolarHBondContact CG-O 3.4Å; S240-S242 PolarHBondContact O-N 3.08Å |
| 243 | D | 65.3 | Low | 62.4 | Low | 107 Ų | 107 | 81.3 Ų | 81.3 | 57% | 0.572 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -77.3 | -28.9 | 179.6 | -78 | -41.3 | 0 | 0 | 0 | 113.7 | S240 Y241 P245 | S240-D243 PolarHBondContact O-N 3.46Å; Y241-D243 PolarHBondContact O-N 3.29Å; Y241-D243 VanDerWaalsContact O-N 3.14Å; D243-P245 VanDerWaalsContact C-CD 3.41Å; D243-P245 WeakPolarHBondContact O-CD 3.49Å |
| 244 | N | 66.2 | Low | 62.8 | Low | 109 Ų | 109 | 84.4 Ų | 84.4 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | trans | -127.4 | 59.5 | -173.4 | -72.7 | -76.4 | 0 | 0 | 0 | 112.9 | Y241 C246 S247 | Y241-N244 VanDerWaalsContact CE2-O 3.31Å; Y241-N244 WeakPolarHBondContact CE2-O 3.48Å; Y241-N244 CarbonylContact O-C 3.57Å; Y241-N244 PolarHBondContact O-N 3.21Å; N244-C246 PolarHBondContact O-N 3.2Å; N244-C246 VanDerWaalsContact O-N 3.07Å; N244-S247 PolarHBondContact O-N 2.95Å; N244-S247 VanDerWaalsContact O-N 3.08Å | ||
| 245 | P | 63.5 | Low | 63.8 | Low | 4 Ų | 4 | 82.8 Ų | 82.8 | 3% | 0.026 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.9 | -177 | 21 | -33.1 | 0 | 0 | 0 | 113.3 | M222 V225 F229 Y241 D243 S247 M260 | M222-P245 HydrophobicContact SD-CB 4.47Å; M222-P245 HydrophobicContact SD-CG 3.87Å; V225-P245 HydrophobicContact CG1-CB 4.26Å; F229-P245 HydrophobicContact CD2-CB 3.95Å; F229-P245 HydrophobicContact CE2-CB 3.94Å; Y241-P245 WeakPolarHBondContact CE2-O 3.33Å; Y241-P245 WeakPolarHBondContact OH-CA 3.41Å; Y241-P245 PolarHBondContact OH-O 2.87Å; D243-P245 VanDerWaalsContact C-CD 3.41Å; D243-P245 WeakPolarHBondContact O-CD 3.49Å; P245-S247 PolarHBondContact O-N 3.07Å; P245-M260 HydrophobicContact CB-SD 4.09Å |
| 246 | C | 66.1 | Low | 64.8 | Low | 61 Ų | 61 | 77.8 Ų | 77.8 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 23.6 | -178.6 | -44.2 | 0 | 0 | 0 | 0 | 114.2 | N244 Y257 | N244-C246 PolarHBondContact O-N 3.2Å; N244-C246 VanDerWaalsContact O-N 3.07Å; C246-Y257 PolarHBondContact O-OH 2.95Å; C246-Y257 VanDerWaalsContact O-OH 3.09Å |
| 247 | S | 70.4 | Confident | 66.1 | Low | 41 Ų | 41 | 75.9 Ų | 75.9 | 29% | 0.287 | 46% | 0.455 | S | S | . | . | trans | -87.3 | 132.9 | 175 | -169.5 | 0 | 0 | 0 | 0 | 112.5 | N244 P245 S249 | N244-S247 PolarHBondContact O-N 2.95Å; N244-S247 VanDerWaalsContact O-N 3.08Å; P245-S247 PolarHBondContact O-N 3.07Å; S247-S249 PolarHBondContact OG-N 3.09Å; S247-S249 PolarHBondContact OG-OG 3.44Å | ||
| 248 | C | 62.3 | Low | 67.4 | Low | 89 Ų | 89 | 75.3 Ų | 75.3 | 60% | 0.601 | 46% | 0.455 | S | S | * | . | trans | -88.5 | -4.5 | 174.9 | -58.6 | 0 | 0 | 0 | 0 | 113.9 | Q250 Y257 | C248-Q250 PolarHBondContact O-N 3.09Å; C248-Y257 PolarHBondContact SG-OH 3.45Å | ||
| 249 | S | 62.6 | Low | 68.8 | Low | 111 Ų | 111 | 73.8 Ų | 73.8 | 78% | 0.776 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -82.9 | 2.6 | -164.5 | 64.6 | 0 | 0 | 0 | 0 | 116.4 | S247 | S247-S249 PolarHBondContact OG-N 3.09Å; S247-S249 PolarHBondContact OG-OG 3.44Å |
| 250 | Q | 63.2 | Low | 70.3 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 29% | 0.285 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -124.4 | 151.1 | -171.1 | -142.5 | 174 | 20.3 | 0 | 0 | 111.3 | C248 H252 C253 R256 | C248-Q250 PolarHBondContact O-N 3.09Å; Q250-H252 PolarHBondContact O-N 3.14Å; Q250-C253 WeakPolarHBondContact O-CB 3.36Å; Q250-C253 PolarHBondContact O-N 2.98Å; Q250-C253 VanDerWaalsContact O-N 3.1Å; Q250-R256 VanDerWaalsContact OE1-CZ 3.25Å |
| 251 | S | 63.5 | Low | 71.5 | Confident | 102 Ų | 102 | 68 Ų | 68 | 71% | 0.713 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -27.6 | -169.8 | 48.8 | 0 | 0 | 0 | 0 | 116.6 | ||
| 252 | H | 66.5 | Low | 72.8 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 54% | 0.542 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 18.9 | -175.5 | -60.2 | -71.1 | 0 | 0 | 0 | 114.4 | Q250 C254 S255 R256 | Q250-H252 PolarHBondContact O-N 3.14Å; H252-C254 VanDerWaalsContact C-N 3.33Å; H252-C254 PolarHBondContact O-N 3.27Å; H252-S255 PolarHBondContact O-N 3Å; H252-S255 VanDerWaalsContact O-N 3.15Å; H252-R256 WeakPolarHBondContact O-CD 3.43Å; H252-R256 WeakPolarHBondContact O-CG 3.47Å; H252-R256 PolarHBondContact O-N 3.11Å; H252-R256 VanDerWaalsContact O-N 3.11Å |
| 253 | C | 71.9 | Confident | 74.1 | Confident | 33 Ų | 33 | 71 Ų | 71 | 22% | 0.223 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -51.6 | -43.7 | -175.2 | 62.9 | 0 | 0 | 0 | 0 | 114 | Q250 S255 R256 Y257 | Q250-C253 WeakPolarHBondContact O-CB 3.36Å; Q250-C253 PolarHBondContact O-N 2.98Å; Q250-C253 VanDerWaalsContact O-N 3.1Å; C253-S255 PolarHBondContact O-N 2.76Å; C253-R256 WeakPolarHBondContact O-CB 3.43Å; C253-R256 PolarHBondContact O-N 3.25Å; C253-Y257 WeakPolarHBondContact O-CD2 3.38Å; C253-Y257 PolarHBondContact O-N 2.88Å |
| 254 | C | 76.6 | Confident | 75.2 | Confident | 102 Ų | 102 | 66.7 Ų | 66.7 | 69% | 0.689 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.4 | -43.4 | 179.3 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | H252 R256 Y257 L258 | H252-C254 VanDerWaalsContact C-N 3.33Å; H252-C254 PolarHBondContact O-N 3.27Å; C254-R256 VanDerWaalsContact C-N 3.3Å; C254-R256 PolarHBondContact O-N 3.16Å; C254-Y257 PolarHBondContact O-N 2.97Å; C254-L258 WeakPolarHBondContact O-CB 3.4Å; C254-L258 PolarHBondContact O-N 3.14Å |
| 255 | S | 80.2 | Confident | 76.1 | Confident | 80 Ų | 80 | 68.4 Ų | 68.4 | 56% | 0.559 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.4 | -39 | 177.1 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | H252 C253 L258 C259 | H252-S255 PolarHBondContact O-N 3Å; H252-S255 VanDerWaalsContact O-N 3.15Å; C253-S255 PolarHBondContact O-N 2.76Å; S255-L258 WeakPolarHBondContact O-CB 3.09Å; S255-L258 PolarHBondContact O-N 3.37Å; S255-C259 WeakPolarHBondContact O-CB 3.34Å; S255-C259 PolarHBondContact O-N 2.87Å |
| 256 | R | 80.4 | Confident | 77.2 | Confident | 39 Ų | 39 | 76.1 Ų | 76.1 | 15% | 0.147 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 177.3 | -73 | 161.7 | 169.7 | -169.2 | 2.2 | 112.7 | F229 Y241 Q250 H252 C253 C254 L258 C259 M260 | F229-R256 HydrophobicContact CZ-CB 4.42Å; Y241-R256 HydrophobicContact CD1-CG 4.48Å; Y241-R256 VanDerWaalsContact CD1-CZ 3.47Å; Y241-R256 VanDerWaalsContact CD2-CZ 3.4Å; Y241-R256 HydrophobicContact CE1-CB 4.32Å; Y241-R256 VanDerWaalsContact CE1-CD 3.49Å; Y241-R256 HydrophobicContact CE1-CG 3.59Å; Y241-R256 VanDerWaalsContact CE1-NE 3.33Å; Y241-R256 WeakPolarHBondContact OH-CB 3.07Å; Q250-R256 VanDerWaalsContact OE1-CZ 3.25Å; H252-R256 WeakPolarHBondContact O-CD 3.43Å; H252-R256 WeakPolarHBondContact O-CG 3.47Å; H252-R256 PolarHBondContact O-N 3.11Å; H252-R256 VanDerWaalsContact O-N 3.11Å; C253-R256 WeakPolarHBondContact O-CB 3.43Å; C253-R256 PolarHBondContact O-N 3.25Å; C254-R256 VanDerWaalsContact C-N 3.3Å; C254-R256 PolarHBondContact O-N 3.16Å; R256-L258 VanDerWaalsContact C-N 3.34Å; R256-C259 PolarHBondContact O-N 3.25Å; R256-M260 WeakPolarHBondContact O-CG 3.43Å; R256-M260 PolarHBondContact O-N 2.87Å |
| 257 | Y | 84.4 | Confident | 78.2 | Confident | 96 Ų | 96 | 74.9 Ų | 74.9 | 38% | 0.376 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.9 | -35.5 | 173.9 | -76.8 | -62 | 0 | 0 | 0 | 112.6 | C246 C248 C253 C254 M260 G261 | C246-Y257 PolarHBondContact O-OH 2.95Å; C246-Y257 VanDerWaalsContact O-OH 3.09Å; C248-Y257 PolarHBondContact SG-OH 3.45Å; C253-Y257 WeakPolarHBondContact O-CD2 3.38Å; C253-Y257 PolarHBondContact O-N 2.88Å; C254-Y257 PolarHBondContact O-N 2.97Å; Y257-M260 PolarHBondContact O-N 3.37Å; Y257-G261 PolarHBondContact O-N 3.29Å |
| 258 | L | 84.5 | Confident | 79 | Confident | 132 Ų | 132 | 77 Ų | 77 | 69% | 0.691 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 171.7 | -170.8 | 76.9 | 0 | 0 | 0 | 111.3 | C254 S255 R256 G261 A262 | C254-L258 WeakPolarHBondContact O-CB 3.4Å; C254-L258 PolarHBondContact O-N 3.14Å; S255-L258 WeakPolarHBondContact O-CB 3.09Å; S255-L258 PolarHBondContact O-N 3.37Å; R256-L258 VanDerWaalsContact C-N 3.34Å; L258-G261 PolarHBondContact O-N 2.88Å; L258-A262 WeakPolarHBondContact O-CB 3.26Å; L258-A262 PolarHBondContact O-N 2.89Å |
| 259 | C | 83.5 | Confident | 80.2 | Confident | 45 Ų | 45 | 74.3 Ų | 74.3 | 30% | 0.304 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.9 | -48 | 176 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | F229 S255 R256 G261 A262 M263 | F229-C259 HydrophobicContact CE1-CB 4.25Å; F229-C259 HydrophobicContact CZ-CB 4.38Å; S255-C259 WeakPolarHBondContact O-CB 3.34Å; S255-C259 PolarHBondContact O-N 2.87Å; R256-C259 PolarHBondContact O-N 3.25Å; C259-G261 VanDerWaalsContact C-N 3.3Å; C259-G261 PolarHBondContact O-N 3.48Å; C259-A262 PolarHBondContact O-N 2.66Å; C259-M263 WeakPolarHBondContact O-CB 3.4Å; C259-M263 WeakPolarHBondContact O-CG 3.47Å; C259-M263 PolarHBondContact O-N 3.08Å |
| 260 | M | 85.2 | Confident | 81.3 | Confident | 28 Ų | 28 | 69.6 Ų | 69.6 | 14% | 0.138 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 174.9 | -69.3 | -171.8 | 66.4 | 0 | 0 | 112.3 | M222 V225 F229 P245 R256 Y257 S264 | M222-M260 HydrophobicContact CE-CE 3.7Å; M222-M260 HydrophobicContact SD-CE 4.2Å; V225-M260 HydrophobicContact CG1-CE 4.16Å; V225-M260 HydrophobicContact CG1-CG 3.99Å; V225-M260 HydrophobicContact CG1-SD 4.28Å; F229-M260 HydrophobicContact CE2-CG 3.79Å; F229-M260 HydrophobicContact CE2-SD 4.07Å; F229-M260 HydrophobicContact CZ-CG 3.79Å; P245-M260 HydrophobicContact CB-SD 4.09Å; R256-M260 WeakPolarHBondContact O-CG 3.43Å; R256-M260 PolarHBondContact O-N 2.87Å; Y257-M260 PolarHBondContact O-N 3.37Å; M260-S264 WeakPolarHBondContact O-CB 3.3Å; M260-S264 PolarHBondContact O-N 3.28Å |
| 261 | G | 85.9 | Confident | 82.4 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y257 L258 C259 S264 L265 | Y257-G261 PolarHBondContact O-N 3.29Å; L258-G261 PolarHBondContact O-N 2.88Å; C259-G261 VanDerWaalsContact C-N 3.3Å; C259-G261 PolarHBondContact O-N 3.48Å; G261-S264 WeakPolarHBondContact O-CB 3.1Å; G261-S264 PolarHBondContact O-N 2.88Å; G261-L265 PolarHBondContact O-N 2.93Å |
| 262 | A | 87.8 | Confident | 83.7 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 38% | 0.38 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L258 C259 S264 L265 F266 | L258-A262 WeakPolarHBondContact O-CB 3.26Å; L258-A262 PolarHBondContact O-N 2.89Å; C259-A262 PolarHBondContact O-N 2.66Å; A262-S264 PolarHBondContact O-N 3.39Å; A262-L265 WeakPolarHBondContact O-CB 3.49Å; A262-L265 PolarHBondContact O-N 3.44Å; A262-L265 VanDerWaalsContact O-N 3.08Å; A262-F266 VanDerWaalsContact O-CD2 3.29Å; A262-F266 WeakPolarHBondContact O-CD2 3.29Å |
| 263 | M | 85.6 | Confident | 84.7 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 23% | 0.232 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.3 | -34.4 | 174.1 | -69.6 | -56.4 | -58.6 | 0 | 0 | 111.9 | I228 C259 L265 F266 L267 L270 | I228-M263 HydrophobicContact CD1-CE 3.55Å; I228-M263 HydrophobicContact CD1-SD 4.09Å; C259-M263 WeakPolarHBondContact O-CB 3.4Å; C259-M263 WeakPolarHBondContact O-CG 3.47Å; C259-M263 PolarHBondContact O-N 3.08Å; M263-L265 PolarHBondContact O-N 3.02Å; M263-F266 PolarHBondContact O-N 2.94Å; M263-F266 VanDerWaalsContact O-N 3.11Å; M263-L267 HydrophobicContact CE-CD1 3.81Å; M263-L267 WeakPolarHBondContact O-CB 3.32Å; M263-L267 PolarHBondContact O-N 3.45Å; M263-L270 HydrophobicContact CB-CD1 3.95Å |
| 264 | S | 88.2 | Confident | 85.5 | Confident | 17 Ų | 17 | 68.4 Ų | 68.4 | 12% | 0.119 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.6 | -14.2 | 177.1 | -167.3 | 0 | 0 | 0 | 0 | 114.8 | M260 G261 A262 L267 L271 | M260-S264 WeakPolarHBondContact O-CB 3.3Å; M260-S264 PolarHBondContact O-N 3.28Å; G261-S264 WeakPolarHBondContact O-CB 3.1Å; G261-S264 PolarHBondContact O-N 2.88Å; A262-S264 PolarHBondContact O-N 3.39Å; S264-L267 CarbonylContact O-C 3.38Å; S264-L271 VanDerWaalsContact OG-CD2 3.26Å; S264-L271 WeakPolarHBondContact OG-CD2 3.07Å; S264-L271 VanDerWaalsContact OG-CG 3.31Å; S264-L271 WeakPolarHBondContact OG-CG 3.33Å |
| 265 | L | 86.2 | Confident | 86.1 | Confident | 145 Ų | 145 | 67.1 Ų | 67.1 | 76% | 0.759 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -75.4 | -34.1 | 170.7 | -59.8 | 173.7 | 0 | 0 | 0 | 111.6 | G261 A262 M263 | G261-L265 PolarHBondContact O-N 2.93Å; A262-L265 WeakPolarHBondContact O-CB 3.49Å; A262-L265 PolarHBondContact O-N 3.44Å; A262-L265 VanDerWaalsContact O-N 3.08Å; M263-L265 PolarHBondContact O-N 3.02Å |
| 266 | F | 86.9 | Confident | 86.4 | Confident | 167 Ų | 167 | 64.6 Ų | 64.6 | 73% | 0.732 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -88.5 | -27 | 176.7 | -54.8 | -77 | 0 | 0 | 0 | 112.4 | A262 M263 | A262-F266 VanDerWaalsContact O-CD2 3.29Å; A262-F266 WeakPolarHBondContact O-CD2 3.29Å; M263-F266 PolarHBondContact O-N 2.94Å; M263-F266 VanDerWaalsContact O-N 3.11Å |
| 267 | L | 86.3 | Confident | 86.8 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.178 | 38% | 0.378 | C | S | . | . | trans | -126.6 | 74.3 | -175.5 | -65.5 | 171.6 | 0 | 0 | 0 | 110 | C221 L224 M263 S264 C269 L270 | C221-L267 HydrophobicContact CB-CB 4.37Å; C221-L267 HydrophobicContact CB-CD1 4.25Å; C221-L267 HydrophobicContact CB-CD2 4.24Å; L224-L267 HydrophobicContact CB-CD1 4.41Å; L224-L267 HydrophobicContact CD1-CD1 3.82Å; L224-L267 HydrophobicContact CD1-CD2 4.16Å; M263-L267 HydrophobicContact CE-CD1 3.81Å; M263-L267 WeakPolarHBondContact O-CB 3.32Å; M263-L267 PolarHBondContact O-N 3.45Å; S264-L267 CarbonylContact O-C 3.38Å; L267-C269 PolarHBondContact O-N 3.5Å; L267-L270 HydrophobicContact CB-CD1 3.78Å; L267-L270 HydrophobicContact CB-CG 4.02Å; L267-L270 HydrophobicContact CD1-CD1 4.24Å; L267-L270 WeakPolarHBondContact O-CB 3.5Å; L267-L270 WeakPolarHBondContact O-CG 3.38Å; L267-L270 PolarHBondContact O-N 3.19Å | ||
| 268 | P | 86.6 | Confident | 86.9 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -60.8 | -20.5 | -178.6 | 24.3 | -34.5 | 0 | 0 | 0 | 113.4 | L270 L271 | P268-L270 PolarHBondContact O-N 3.37Å; P268-L270 VanDerWaalsContact O-N 3.13Å; P268-L271 WeakPolarHBondContact O-CB 3.24Å; P268-L271 PolarHBondContact O-N 2.95Å; P268-L271 VanDerWaalsContact O-N 3.11Å |
| 269 | C | 88.8 | Confident | 87 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -49.6 | -28.6 | 166.9 | 40.6 | 0 | 0 | 0 | 0 | 114.1 | T220 C221 L267 L271 C272 | T220-C269 WeakPolarHBondContact CA-O 3.16Å; T220-C269 WeakPolarHBondContact CB-O 3.41Å; T220-C269 CarbonylContact O-C 3.59Å; T220-C269 VanDerWaalsContact O-C 3.25Å; C221-C269 HydrophobicContact CB-CB 4.11Å; C221-C269 WeakPolarHBondContact CB-SG 3.26Å; C221-C269 WeakPolarHBondContact SG-CB 3.2Å; C221-C269 CovalentContact SG-SG 2.04Å; C221-C269 PolarHBondContact SG-SG 3.34Å; L267-C269 PolarHBondContact O-N 3.5Å; C269-L271 VanDerWaalsContact C-N 3.32Å; C269-L271 PolarHBondContact O-N 3.12Å; C269-C272 WeakPolarHBondContact O-CB 3.05Å; C269-C272 PolarHBondContact O-N 3.22Å; C269-C272 VanDerWaalsContact O-N 3.1Å |
| 270 | L | 85.8 | Confident | 87.1 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -65.9 | -31.6 | 178.7 | -69.3 | 170.1 | 0 | 0 | 0 | 112.8 | T220 C221 M222 V225 M263 L267 P268 C272 Y273 P274 | T220-L270 WeakPolarHBondContact O-CA 3.31Å; T220-L270 WeakPolarHBondContact O-CD2 3.38Å; T220-L270 PolarHBondContact O-N 3.24Å; C221-L270 HydrophobicContact CB-CD2 4.36Å; C221-L270 HydrophobicContact CB-CG 4.46Å; M222-L270 HydrophobicContact CE-CD2 3.71Å; V225-L270 HydrophobicContact CG2-CD1 3.77Å; V225-L270 HydrophobicContact CG2-CD2 3.61Å; V225-L270 HydrophobicContact CG2-CG 4.39Å; M263-L270 HydrophobicContact CB-CD1 3.95Å; L267-L270 HydrophobicContact CB-CD1 3.78Å; L267-L270 HydrophobicContact CB-CG 4.02Å; L267-L270 HydrophobicContact CD1-CD1 4.24Å; L267-L270 WeakPolarHBondContact O-CB 3.5Å; L267-L270 WeakPolarHBondContact O-CG 3.38Å; L267-L270 PolarHBondContact O-N 3.19Å; P268-L270 PolarHBondContact O-N 3.37Å; P268-L270 VanDerWaalsContact O-N 3.13Å; L270-C272 PolarHBondContact O-N 2.88Å; L270-Y273 WeakPolarHBondContact O-CB 3.4Å; L270-Y273 PolarHBondContact O-N 3.01Å; L270-P274 WeakPolarHBondContact O-CD 3.46Å |
| 271 | L | 86 | Confident | 87.2 | Confident | 119 Ų | 119 | 65.5 Ų | 65.5 | 62% | 0.623 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -65 | -22.8 | 174.4 | -60.3 | -178.9 | 0 | 0 | 0 | 112.3 | S264 P268 C269 Y273 P275 | S264-L271 VanDerWaalsContact OG-CD2 3.26Å; S264-L271 WeakPolarHBondContact OG-CD2 3.07Å; S264-L271 VanDerWaalsContact OG-CG 3.31Å; S264-L271 WeakPolarHBondContact OG-CG 3.33Å; P268-L271 WeakPolarHBondContact O-CB 3.24Å; P268-L271 PolarHBondContact O-N 2.95Å; P268-L271 VanDerWaalsContact O-N 3.11Å; C269-L271 VanDerWaalsContact C-N 3.32Å; C269-L271 PolarHBondContact O-N 3.12Å; L271-Y273 VanDerWaalsContact C-N 3.34Å; L271-P275 VanDerWaalsContact O-CD 3.26Å; L271-P275 WeakPolarHBondContact O-CD 3.36Å |
| 272 | C | 89.5 | Confident | 87.2 | Confident | 71 Ų | 71 | 69.1 Ų | 69.1 | 48% | 0.48 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -80.2 | -12.7 | 174.8 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | T220 C269 L270 P275 A276 | T220-C272 HydrophobicContact CG2-CB 4.16Å; C269-C272 WeakPolarHBondContact O-CB 3.05Å; C269-C272 PolarHBondContact O-N 3.22Å; C269-C272 VanDerWaalsContact O-N 3.1Å; L270-C272 PolarHBondContact O-N 2.88Å; C272-P275 WeakPolarHBondContact O-CD 3.45Å; C272-P275 WeakPolarHBondContact O-CG 3.39Å; C272-A276 WeakPolarHBondContact O-CB 3.36Å; C272-A276 PolarHBondContact O-N 3.34Å |
| 273 | Y | 89.1 | Confident | 87 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 3% | 0.027 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.2 | -48.7 | -180 | -175.7 | -108.4 | 0 | 0 | 0 | 114.2 | V216 E217 T220 M222 L270 L271 A276 K277 | V216-Y273 HydrophobicContact CG1-CD2 3.81Å; V216-Y273 HydrophobicContact CG1-CE2 4.07Å; E217-Y273 HydrophobicContact CG-CE2 3.92Å; E217-Y273 PolarHBondContact OE1-OH 2.94Å; E217-Y273 VanDerWaalsContact OE1-OH 3.13Å; T220-Y273 HydrophobicContact CG2-CD2 4.45Å; T220-Y273 VanDerWaalsContact OG1-CD2 3.24Å; T220-Y273 WeakPolarHBondContact OG1-CD2 3.43Å; M222-Y273 HydrophobicContact CB-CD2 3.94Å; M222-Y273 HydrophobicContact CB-CE2 3.94Å; M222-Y273 HydrophobicContact CB-CG 4.3Å; M222-Y273 HydrophobicContact CE-CD1 3.49Å; M222-Y273 VanDerWaalsContact CE-CD1 3.49Å; M222-Y273 HydrophobicContact CE-CD2 4.45Å; M222-Y273 HydrophobicContact CE-CE1 3.86Å; M222-Y273 HydrophobicContact CE-CG 3.76Å; M222-Y273 HydrophobicContact CG-CD1 4.35Å; M222-Y273 HydrophobicContact CG-CD2 4.17Å; M222-Y273 HydrophobicContact CG-CE1 3.97Å; M222-Y273 HydrophobicContact CG-CE2 3.82Å; M222-Y273 HydrophobicContact CG-CG 4.38Å; M222-Y273 HydrophobicContact SD-CD1 4.45Å; M222-Y273 HydrophobicContact SD-CE1 4.23Å; L270-Y273 WeakPolarHBondContact O-CB 3.4Å; L270-Y273 PolarHBondContact O-N 3.01Å; L271-Y273 VanDerWaalsContact C-N 3.34Å; Y273-A276 PolarHBondContact O-N 3.1Å; Y273-K277 HydrophobicContact CD1-CD 4.39Å; Y273-K277 HydrophobicContact CE1-CD 3.64Å; Y273-K277 HydrophobicContact CE2-CD 4.23Å; Y273-K277 WeakPolarHBondContact O-CB 3.37Å; Y273-K277 PolarHBondContact O-N 3.36Å; Y273-K277 WeakPolarHBondContact OH-CE 3.46Å; Y273-K277 PolarHBondContact OH-NZ 3.27Å |
| 274 | P | 88.4 | Confident | 87 | Confident | 91 Ų | 91 | 71.3 Ų | 71.3 | 59% | 0.591 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -55.6 | -50.7 | 175.6 | -23.4 | 33.3 | 0 | 0 | 0 | 114.1 | L270 G278 | L270-P274 WeakPolarHBondContact O-CD 3.46Å; P274-G278 PolarHBondContact O-N 2.99Å |
| 275 | P | 89.3 | Confident | 86.7 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 49% | 0.494 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 177.5 | 25.6 | -32.4 | 0 | 0 | 0 | 112.1 | L271 C272 K277 G278 C279 | L271-P275 VanDerWaalsContact O-CD 3.26Å; L271-P275 WeakPolarHBondContact O-CD 3.36Å; C272-P275 WeakPolarHBondContact O-CD 3.45Å; C272-P275 WeakPolarHBondContact O-CG 3.39Å; P275-K277 PolarHBondContact O-N 2.86Å; P275-G278 CarbonylContact O-C 3.59Å; P275-G278 WeakPolarHBondContact O-CA 3.37Å; P275-G278 PolarHBondContact O-N 3.3Å; P275-G278 VanDerWaalsContact O-N 3.1Å; P275-C279 PolarHBondContact O-N 3.19Å; P275-C279 PolarHBondContact O-SG 3.2Å |
| 276 | A | 86.8 | Confident | 86.6 | Confident | 26 Ų | 26 | 68.2 Ų | 68.2 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V216 T220 C272 Y273 G278 C279 L280 | V216-A276 HydrophobicContact CG1-CB 3.71Å; V216-A276 HydrophobicContact CG2-CB 4.06Å; T220-A276 HydrophobicContact CG2-CB 4.41Å; C272-A276 WeakPolarHBondContact O-CB 3.36Å; C272-A276 PolarHBondContact O-N 3.34Å; Y273-A276 PolarHBondContact O-N 3.1Å; A276-G278 VanDerWaalsContact C-N 3.29Å; A276-G278 PolarHBondContact O-N 3.41Å; A276-C279 PolarHBondContact O-N 3.5Å; A276-L280 WeakPolarHBondContact O-CG 3.13Å; A276-L280 PolarHBondContact O-N 3.27Å |
| 277 | K | 87.3 | Confident | 86.4 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 35% | 0.352 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.2 | -31 | 174.7 | -164.6 | 173.9 | -165.4 | 169.9 | 0 | 111.9 | Y273 P275 K281 | Y273-K277 HydrophobicContact CD1-CD 4.39Å; Y273-K277 HydrophobicContact CE1-CD 3.64Å; Y273-K277 HydrophobicContact CE2-CD 4.23Å; Y273-K277 WeakPolarHBondContact O-CB 3.37Å; Y273-K277 PolarHBondContact O-N 3.36Å; Y273-K277 WeakPolarHBondContact OH-CE 3.46Å; Y273-K277 PolarHBondContact OH-NZ 3.27Å; P275-K277 PolarHBondContact O-N 2.86Å; K277-K281 WeakPolarHBondContact O-CG 3.29Å; K277-K281 PolarHBondContact O-N 3.27Å; K277-K281 VanDerWaalsContact O-N 3.15Å |
| 278 | G | 86.9 | Confident | 86.3 | Confident | 39 Ų | 39 | 63 Ų | 63 | 40% | 0.402 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -51.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P274 P275 A276 L280 K281 L282 | P274-G278 PolarHBondContact O-N 2.99Å; P275-G278 CarbonylContact O-C 3.59Å; P275-G278 WeakPolarHBondContact O-CA 3.37Å; P275-G278 PolarHBondContact O-N 3.3Å; P275-G278 VanDerWaalsContact O-N 3.1Å; A276-G278 VanDerWaalsContact C-N 3.29Å; A276-G278 PolarHBondContact O-N 3.41Å; G278-L280 PolarHBondContact O-N 3.32Å; G278-K281 PolarHBondContact O-N 2.79Å; G278-K281 VanDerWaalsContact O-N 3.13Å; G278-L282 PolarHBondContact O-N 3.21Å |
| 279 | C | 86.5 | Confident | 86.1 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 51% | 0.514 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.3 | -45.9 | 174.8 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | P275 A276 K281 L282 C283 | P275-C279 PolarHBondContact O-N 3.19Å; P275-C279 PolarHBondContact O-SG 3.2Å; A276-C279 PolarHBondContact O-N 3.5Å; C279-K281 VanDerWaalsContact C-N 3.34Å; C279-K281 PolarHBondContact O-N 3.42Å; C279-L282 PolarHBondContact O-N 2.84Å; C279-C283 WeakPolarHBondContact O-CB 3.29Å; C279-C283 PolarHBondContact O-N 3.11Å; C279-C283 PolarHBondContact O-SG 3.15Å |
| 280 | L | 86.1 | Confident | 85.7 | Confident | 22 Ų | 22 | 71.4 Ų | 71.4 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 175.1 | -71.6 | -175.2 | 0 | 0 | 0 | 112.9 | A212 V216 A276 G278 C283 R284 | A212-L280 HydrophobicContact CB-CD2 3.65Å; A212-L280 WeakPolarHBondContact O-CD1 3.15Å; V216-L280 HydrophobicContact CB-CD1 3.89Å; V216-L280 HydrophobicContact CG1-CD1 4.38Å; V216-L280 HydrophobicContact CG2-CD1 3.64Å; V216-L280 HydrophobicContact CG2-CD2 4.35Å; V216-L280 HydrophobicContact CG2-CG 4.01Å; A276-L280 WeakPolarHBondContact O-CG 3.13Å; A276-L280 PolarHBondContact O-N 3.27Å; G278-L280 PolarHBondContact O-N 3.32Å; L280-C283 PolarHBondContact O-N 3.3Å; L280-R284 WeakPolarHBondContact O-CG 3.34Å; L280-R284 PolarHBondContact O-N 3.22Å |
| 281 | K | 86.7 | Confident | 85.2 | Confident | 141 Ų | 141 | 75.7 Ų | 75.7 | 61% | 0.613 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 175.7 | -78.1 | -177.4 | 175.3 | -174.8 | 0 | 111.8 | K277 G278 C279 R284 G285 | K277-K281 WeakPolarHBondContact O-CG 3.29Å; K277-K281 PolarHBondContact O-N 3.27Å; K277-K281 VanDerWaalsContact O-N 3.15Å; G278-K281 PolarHBondContact O-N 2.79Å; G278-K281 VanDerWaalsContact O-N 3.13Å; C279-K281 VanDerWaalsContact C-N 3.34Å; C279-K281 PolarHBondContact O-N 3.42Å; K281-R284 PolarHBondContact O-N 3.1Å; K281-G285 PolarHBondContact O-N 2.84Å |
| 282 | L | 86.6 | Confident | 85 | Confident | 117 Ų | 117 | 71.6 Ų | 71.6 | 61% | 0.613 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.1 | -47.2 | 175.6 | -177 | 61.3 | 0 | 0 | 0 | 111.2 | G278 C279 R284 G285 C286 | G278-L282 PolarHBondContact O-N 3.21Å; C279-L282 PolarHBondContact O-N 2.84Å; L282-R284 PolarHBondContact O-N 2.96Å; L282-G285 CarbonylContact O-C 3.44Å; L282-G285 WeakPolarHBondContact O-CA 3.49Å; L282-G285 PolarHBondContact O-N 3.35Å; L282-C286 PolarHBondContact O-N 3.2Å; L282-C286 PolarHBondContact O-SG 3.45Å; L282-C286 VanDerWaalsContact O-SG 3.38Å |
| 283 | C | 83.1 | Confident | 84.4 | Confident | 68 Ų | 68 | 71.6 Ų | 71.6 | 46% | 0.459 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 176 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | L198 C279 L280 Y287 | L198-C283 HydrophobicContact CD1-CB 4.43Å; C279-C283 WeakPolarHBondContact O-CB 3.29Å; C279-C283 PolarHBondContact O-N 3.11Å; C279-C283 PolarHBondContact O-SG 3.15Å; L280-C283 PolarHBondContact O-N 3.3Å; C283-Y287 WeakPolarHBondContact O-CB 3.47Å; C283-Y287 PolarHBondContact O-N 3.35Å |
| 284 | R | 84.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 71.3 Ų | 71.3 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 170.4 | -73.6 | 175 | -155.2 | 137.9 | 18 | 111.9 | L198 E213 L280 K281 L282 Y287 D288 | L198-R284 HydrophobicContact CB-CG 4.46Å; L198-R284 HydrophobicContact CD1-CG 3.6Å; L198-R284 HydrophobicContact CG-CG 3.68Å; E213-R284 VanDerWaalsContact CD-NH2 3.31Å; E213-R284 VanDerWaalsContact CG-NH2 3.33Å; E213-R284 IonicContact OE1-CZ 2.62Å; E213-R284 VanDerWaalsContact OE1-CZ 3.29Å; E213-R284 IonicContact OE1-NE 2.69Å; E213-R284 PolarHBondContact OE1-NE 2.98Å; E213-R284 IonicContact OE1-NH2 3.37Å; E213-R284 PolarHBondContact OE1-NH2 3.34Å; L280-R284 WeakPolarHBondContact O-CG 3.34Å; L280-R284 PolarHBondContact O-N 3.22Å; K281-R284 PolarHBondContact O-N 3.1Å; L282-R284 PolarHBondContact O-N 2.96Å; R284-Y287 PolarHBondContact O-N 3.3Å; R284-D288 WeakPolarHBondContact O-CB 3.27Å; R284-D288 PolarHBondContact O-N 2.9Å |
| 285 | G | 82.8 | Confident | 84.1 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 42% | 0.423 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K281 L282 W289 | K281-G285 PolarHBondContact O-N 2.84Å; L282-G285 CarbonylContact O-C 3.44Å; L282-G285 WeakPolarHBondContact O-CA 3.49Å; L282-G285 PolarHBondContact O-N 3.35Å; G285-W289 VanDerWaalsContact O-CB 3.31Å; G285-W289 WeakPolarHBondContact O-CB 3.47Å; G285-W289 PolarHBondContact O-N 3.21Å |
| 286 | C | 83.4 | Confident | 83.8 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 173.7 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | L282 W289 I290 | L282-C286 PolarHBondContact O-N 3.2Å; L282-C286 PolarHBondContact O-SG 3.45Å; L282-C286 VanDerWaalsContact O-SG 3.38Å; C286-W289 WeakPolarHBondContact O-CB 3.44Å; C286-W289 PolarHBondContact O-N 3.05Å; C286-I290 VanDerWaalsContact O-CG1 3.31Å; C286-I290 WeakPolarHBondContact O-CG1 3.43Å; C286-I290 PolarHBondContact O-N 3.46Å |
| 287 | Y | 83.2 | Confident | 83.8 | Confident | 68 Ų | 68 | 71 Ų | 71 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 176.8 | -175.5 | -99.3 | 0 | 0 | 0 | 111.6 | R196 T197 L198 C283 R284 I290 H291 | R196-Y287 HydrophobicContact CB-CD1 4.31Å; R196-Y287 HydrophobicContact CB-CE1 4.12Å; T197-Y287 WeakPolarHBondContact O-CE1 3.37Å; L198-Y287 HydrophobicContact CD2-CD1 4.33Å; L198-Y287 HydrophobicContact CD2-CD2 4.22Å; L198-Y287 HydrophobicContact CD2-CG 3.9Å; C283-Y287 WeakPolarHBondContact O-CB 3.47Å; C283-Y287 PolarHBondContact O-N 3.35Å; R284-Y287 PolarHBondContact O-N 3.3Å; Y287-I290 PolarHBondContact O-N 2.89Å; Y287-H291 AromaticContact CD2-CE1 3.44Å; Y287-H291 VanDerWaalsContact CD2-CE1 3.44Å; Y287-H291 WeakPolarHBondContact CD2-CE1 3.31Å; Y287-H291 AromaticContact CD2-ND1 3.26Å; Y287-H291 VanDerWaalsContact CD2-ND1 3.26Å; Y287-H291 WeakPolarHBondContact CD2-ND1 3.43Å; Y287-H291 AromaticContact CE2-CE1 3.49Å; Y287-H291 VanDerWaalsContact CE2-CE1 3.49Å; Y287-H291 WeakPolarHBondContact CE2-CE1 3.48Å; Y287-H291 AromaticContact CE2-CG 3.77Å; Y287-H291 AromaticContact CE2-ND1 3.41Å; Y287-H291 WeakPolarHBondContact CE2-ND1 3.43Å; Y287-H291 AromaticContact CE2-NE2 3.88Å; Y287-H291 AromaticContact CG-ND1 3.79Å; Y287-H291 WeakPolarHBondContact O-CB 3.2Å; Y287-H291 PolarHBondContact O-N 2.92Å; Y287-H291 PolarHBondContact O-ND1 3.39Å |
| 288 | D | 84.8 | Confident | 83.6 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 173.3 | -175.4 | 50.4 | 0 | 0 | 0 | 112 | P195 R196 R284 I290 R292 | P195-D288 WeakPolarHBondContact CA-OD1 3.37Å; R196-D288 PolarHBondContact N-OD1 3.06Å; R284-D288 WeakPolarHBondContact O-CB 3.27Å; R284-D288 PolarHBondContact O-N 2.9Å; D288-I290 VanDerWaalsContact C-N 3.33Å; D288-I290 PolarHBondContact O-N 2.83Å; D288-R292 WeakPolarHBondContact O-CB 3.18Å; D288-R292 PolarHBondContact O-N 3.17Å; D288-R292 VanDerWaalsContact O-N 3.09Å; D288-R292 IonicContact OD1-CZ 3.39Å; D288-R292 IonicContact OD1-NE 3.29Å; D288-R292 PolarHBondContact OD1-NE 3.11Å; D288-R292 VanDerWaalsContact OD1-NE 3.17Å; D288-R292 IonicContact OD1-NH2 2.77Å; D288-R292 PolarHBondContact OD1-NH2 3.43Å; D288-R292 IonicContact OD2-CZ 3.22Å; D288-R292 IonicContact OD2-NE 3.3Å; D288-R292 PolarHBondContact OD2-NE 3.27Å; D288-R292 IonicContact OD2-NH2 3.73Å; D288-R292 PolarHBondContact OD2-NH2 3.16Å |
| 289 | W | 81.1 | Confident | 83.2 | Confident | 173 Ų | 173 | 82 Ų | 82 | 66% | 0.655 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -55.6 | -48.7 | 175.1 | -171.8 | -42.6 | 0 | 0 | 0 | 111.5 | G285 C286 R296 | G285-W289 VanDerWaalsContact O-CB 3.31Å; G285-W289 WeakPolarHBondContact O-CB 3.47Å; G285-W289 PolarHBondContact O-N 3.21Å; C286-W289 WeakPolarHBondContact O-CB 3.44Å; C286-W289 PolarHBondContact O-N 3.05Å; W289-R296 VanDerWaalsContact CD2-NH1 3.34Å |
| 290 | I | 80.9 | Confident | 82.9 | Confident | 122 Ų | 122 | 79.1 Ų | 79.1 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -79.2 | -44.7 | -172.8 | -65.5 | 166 | 0 | 0 | 0 | 111.6 | C286 Y287 D288 | C286-I290 VanDerWaalsContact O-CG1 3.31Å; C286-I290 WeakPolarHBondContact O-CG1 3.43Å; C286-I290 PolarHBondContact O-N 3.46Å; Y287-I290 PolarHBondContact O-N 2.89Å; D288-I290 VanDerWaalsContact C-N 3.33Å; D288-I290 PolarHBondContact O-N 2.83Å |
| 291 | H | 76.6 | Confident | 82.7 | Confident | 102 Ų | 102 | 83.3 Ų | 83.3 | 47% | 0.472 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -96.1 | -6.7 | -169 | -58.1 | 83.7 | 0 | 0 | 0 | 114.3 | Y287 P293 | Y287-H291 AromaticContact CD2-CE1 3.44Å; Y287-H291 VanDerWaalsContact CD2-CE1 3.44Å; Y287-H291 WeakPolarHBondContact CD2-CE1 3.31Å; Y287-H291 AromaticContact CD2-ND1 3.26Å; Y287-H291 VanDerWaalsContact CD2-ND1 3.26Å; Y287-H291 WeakPolarHBondContact CD2-ND1 3.43Å; Y287-H291 AromaticContact CE2-CE1 3.49Å; Y287-H291 VanDerWaalsContact CE2-CE1 3.49Å; Y287-H291 WeakPolarHBondContact CE2-CE1 3.48Å; Y287-H291 AromaticContact CE2-CG 3.77Å; Y287-H291 AromaticContact CE2-ND1 3.41Å; Y287-H291 WeakPolarHBondContact CE2-ND1 3.43Å; Y287-H291 AromaticContact CE2-NE2 3.88Å; Y287-H291 AromaticContact CG-ND1 3.79Å; Y287-H291 WeakPolarHBondContact O-CB 3.2Å; Y287-H291 PolarHBondContact O-N 2.92Å; Y287-H291 PolarHBondContact O-ND1 3.39Å; H291-P293 WeakPolarHBondContact O-CD 3.33Å |
| 292 | R | 80.8 | Confident | 82.7 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 12% | 0.121 | 41% | 0.41 | C | S | . | . | trans | -67.3 | 119.9 | 175.5 | 177.6 | -172.1 | -73.2 | -122.7 | -5 | 111.2 | K186 C192 T193 D288 | K186-R292 PolarHBondContact NZ-O 3.17Å; C192-R292 WeakPolarHBondContact O-CG 3.47Å; T193-R292 VanDerWaalsContact O-CZ 3.28Å; T193-R292 PolarHBondContact O-NH1 3.41Å; T193-R292 PolarHBondContact O-NH2 3.15Å; D288-R292 WeakPolarHBondContact O-CB 3.18Å; D288-R292 PolarHBondContact O-N 3.17Å; D288-R292 VanDerWaalsContact O-N 3.09Å; D288-R292 IonicContact OD1-CZ 3.39Å; D288-R292 IonicContact OD1-NE 3.29Å; D288-R292 PolarHBondContact OD1-NE 3.11Å; D288-R292 VanDerWaalsContact OD1-NE 3.17Å; D288-R292 IonicContact OD1-NH2 2.77Å; D288-R292 PolarHBondContact OD1-NH2 3.43Å; D288-R292 IonicContact OD2-CZ 3.22Å; D288-R292 IonicContact OD2-NE 3.3Å; D288-R292 PolarHBondContact OD2-NE 3.27Å; D288-R292 IonicContact OD2-NH2 3.73Å; D288-R292 PolarHBondContact OD2-NH2 3.16Å | ||
| 293 | P | 77.2 | Confident | 82.5 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 46% | 0.461 | 40% | 0.398 | S | S | . | . | trans | -76.9 | -27.5 | -179.5 | 31.1 | -34.6 | 0 | 0 | 0 | 112.8 | K186 H291 | K186-P293 WeakPolarHBondContact CB-O 3.41Å; K186-P293 VanDerWaalsContact CD-O 3.29Å; K186-P293 WeakPolarHBondContact CD-O 3.38Å; K186-P293 WeakPolarHBondContact CG-O 3.34Å; H291-P293 WeakPolarHBondContact O-CD 3.33Å | ||
| 294 | G | 84.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -82.1 | 172.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | K186 C187 C192 | K186-G294 WeakPolarHBondContact CD-O 3.48Å; C187-G294 CarbonylContact O-C 3.51Å; C187-G294 WeakPolarHBondContact O-CA 3.39Å; C192-G294 WeakPolarHBondContact O-CA 3.36Å; C192-G294 PolarHBondContact O-N 3.27Å |
| 295 | C | 86.6 | Confident | 81.8 | Confident | 8 Ų | 8 | 79.7 Ų | 79.7 | 5% | 0.054 | 41% | 0.405 | C | S | . | . | trans | -74.2 | 160.2 | -175.4 | -155.5 | 0 | 0 | 0 | 0 | 113.6 | C181 C184 K186 C187 K188 | C181-C295 HydrophobicContact CB-CB 3.84Å; C181-C295 WeakPolarHBondContact CB-SG 3.49Å; C181-C295 PolarHBondContact SG-SG 3.17Å; C184-C295 WeakPolarHBondContact CB-SG 3.45Å; C184-C295 WeakPolarHBondContact SG-CB 3.48Å; C184-C295 CovalentContact SG-SG 2.04Å; C184-C295 PolarHBondContact SG-SG 3.44Å; K186-C295 HydrophobicContact CB-CB 4.02Å; C187-C295 PolarHBondContact O-N 3.12Å; K188-C295 HydrophobicContact CG-CB 3.97Å | ||
| 296 | R | 83.8 | Confident | 80.9 | Confident | 135 Ų | 135 | 84.4 Ų | 84.4 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | trans | -129.6 | 4.8 | 178.3 | -60.3 | 175.8 | 72.6 | -160.9 | 3 | 113.6 | W289 K298 | W289-R296 VanDerWaalsContact CD2-NH1 3.34Å; R296-K298 PolarHBondContact O-N 3.02Å | ||
| 297 | C | 85.8 | Confident | 79.7 | Confident | 45 Ų | 45 | 88.7 Ų | 88.7 | 30% | 0.304 | 43% | 0.432 | S | S | . | . | trans | -73.3 | 114.4 | 179.3 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | S300 | C297-S300 WeakPolarHBondContact CB-OG 3.48Å; C297-S300 PolarHBondContact O-OG 3.25Å; C297-S300 VanDerWaalsContact O-OG 3.07Å | ||
| 298 | K | 82.9 | Confident | 77.9 | Confident | 200 Ų | 200 | 91.9 Ų | 91.9 | 87% | 0.87 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -46.2 | -175.2 | -63.5 | -176.7 | 178 | -178.8 | 0 | 113.8 | R296 | R296-K298 PolarHBondContact O-N 3.02Š|
| 299 | N | 79.5 | Confident | 76 | Confident | 149 Ų | 149 | 96.1 Ų | 96.1 | 80% | 0.797 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | 67.7 | -172.3 | -63.9 | 44.8 | 0 | 0 | 0 | 109.9 | ||
| 300 | S | 80.2 | Confident | 74 | Confident | 17 Ų | 17 | 93.4 Ų | 93.4 | 12% | 0.119 | 49% | 0.487 | C | S | . | . | trans | -130 | 142.9 | 179.8 | 54.4 | 0 | 0 | 0 | 0 | 109.8 | C181 K188 C297 | C181-S300 WeakPolarHBondContact SG-CB 3.46Å; C181-S300 PolarHBondContact SG-OG 3.35Å; K188-S300 VanDerWaalsContact CE-OG 3.32Å; K188-S300 WeakPolarHBondContact CE-OG 3.39Å; K188-S300 PolarHBondContact NZ-O 3.34Å; K188-S300 PolarHBondContact NZ-OG 3.13Å; C297-S300 WeakPolarHBondContact CB-OG 3.48Å; C297-S300 PolarHBondContact O-OG 3.25Å; C297-S300 VanDerWaalsContact O-OG 3.07Å | ||
| 301 | N | 82.2 | Confident | 72 | Confident | 110 Ų | 110 | 93.3 Ų | 93.3 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | trans | -69.2 | 176.5 | 174.3 | -61.3 | -34.1 | 0 | 0 | 0 | 111.4 | E182 K188 | E182-N301 VanDerWaalsContact CD-CB 3.5Å; E182-N301 HydrophobicContact CG-CB 4.41Å; E182-N301 VanDerWaalsContact OE1-CB 3.31Å; E182-N301 WeakPolarHBondContact OE1-CB 3.5Å; E182-N301 WeakPolarHBondContact OE2-CB 3.4Å; E182-N301 PolarHBondContact OE2-ND2 2.96Å; K188-N301 PolarHBondContact NZ-O 3.06Å | ||
| 302 | T | 85.1 | Confident | 70.3 | Confident | 79 Ų | 79 | 94.1 Ų | 94.1 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 108.1 | -179.1 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | I180 K188 | I180-T302 CarbonylContact O-C 3.55Å; I180-T302 WeakPolarHBondContact O-CA 3Å; K188-T302 HydrophobicContact CD-CG2 3.54Å |
| 303 | V | 83 | Confident | 68.4 | Low | 60 Ų | 60 | 103.6 Ų | 103.6 | 36% | 0.364 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 138.2 | 170.2 | -82.7 | 0 | 0 | 0 | 0 | 109.9 | I180 E182 | I180-V303 HydrophobicContact CB-CG2 4.19Å; I180-V303 PolarHBondContact N-O 3.11Å; I180-V303 WeakPolarHBondContact O-CG2 3.49Å; I180-V303 PolarHBondContact O-N 3.18Å; E182-V303 HydrophobicContact CG-CB 4.39Å; E182-V303 HydrophobicContact CG-CG1 3.67Å; E182-V303 HydrophobicContact CG-CG2 3.99Å |
| 304 | Y | 81.3 | Confident | 66.7 | Low | 126 Ų | 126 | 103 Ų | 103 | 49% | 0.494 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.5 | 172 | -176.9 | -89.8 | 0 | 0 | 0 | 109 | K178 F179 K306 | K178-Y304 HydrophobicContact CB-CD2 4.05Å; K178-Y304 HydrophobicContact CB-CE2 3.84Å; K178-Y304 HydrophobicContact CD-CE1 4.07Å; K178-Y304 HydrophobicContact CD-CE2 3.82Å; K178-Y304 VanDerWaalsContact CD-CZ 3.45Å; K178-Y304 VanDerWaalsContact CD-OH 3.22Å; K178-Y304 WeakPolarHBondContact CD-OH 3.44Å; K178-Y304 PolarHBondContact NZ-OH 3.07Å; F179-Y304 HydrophobicContact CE1-CD2 4.23Å; F179-Y304 HydrophobicContact CZ-CD2 4.46Å; Y304-K306 VanDerWaalsContact C-N 3.31Å; Y304-K306 HydrophobicContact CD1-CB 4.1Å; Y304-K306 HydrophobicContact CE1-CB 4.07Å; Y304-K306 PolarHBondContact O-N 2.68Å |
| 305 | C | 71.4 | Confident | 64.6 | Low | 56 Ų | 56 | 112.3 Ų | 112.3 | 38% | 0.378 | 60% | 0.596 | S | S | . | * | trans | -72 | 88.9 | 171.1 | -78.6 | 0 | 0 | 0 | 0 | 109.9 | K178 I180 L307 | K178-C305 PolarHBondContact O-N 3.5Å; I180-C305 HydrophobicContact CG1-CB 4.03Å; I180-C305 WeakPolarHBondContact CG1-SG 3.44Å; C305-L307 PolarHBondContact O-N 3.49Å | ||
| 306 | K | 64.1 | Low | 62.4 | Low | 139 Ų | 139 | 119 Ų | 119 | 60% | 0.604 | 63% | 0.632 | S | S | * | * | trans | -66.5 | 89.4 | 159.9 | -171.8 | -166 | -179.8 | -161.1 | 0 | 107.7 | Y304 E308 | Y304-K306 VanDerWaalsContact C-N 3.31Å; Y304-K306 HydrophobicContact CD1-CB 4.1Å; Y304-K306 HydrophobicContact CE1-CB 4.07Å; Y304-K306 PolarHBondContact O-N 2.68Å; K306-E308 VanDerWaalsContact C-N 3.31Å; K306-E308 HydrophobicContact CD-CG 4.12Å; K306-E308 WeakPolarHBondContact CE-OE1 3.46Å; K306-E308 HydrophobicContact CG-CG 4.3Å; K306-E308 IonicContact NZ-OE1 3.17Å; K306-E308 PolarHBondContact NZ-OE1 3.48Å; K306-E308 PolarHBondContact O-N 3.31Å | ||
| 307 | L | 58.3 | Low | 60.3 | Low | 147 Ų | 147 | 121.6 Ų | 121.6 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | trans | -58.4 | 98.7 | 161.7 | -87.9 | 163.2 | 0 | 0 | 0 | 107.6 | C305 S309 | C305-L307 PolarHBondContact O-N 3.49Å; L307-S309 PolarHBondContact O-N 3.15Å; L307-S309 VanDerWaalsContact O-N 3.16Å | ||
| 308 | E | 45.5 | Very low | 58.6 | Low | 135 Ų | 135 | 124.8 Ų | 124.8 | 63% | 0.631 | 67% | 0.667 | S | S | * | * | trans | -71 | 106.7 | 165.5 | -59.4 | -149.7 | 134.3 | 0 | 0 | 106.8 | K306 C310 | K306-E308 VanDerWaalsContact C-N 3.31Å; K306-E308 HydrophobicContact CD-CG 4.12Å; K306-E308 WeakPolarHBondContact CE-OE1 3.46Å; K306-E308 HydrophobicContact CG-CG 4.3Å; K306-E308 IonicContact NZ-OE1 3.17Å; K306-E308 PolarHBondContact NZ-OE1 3.48Å; K306-E308 PolarHBondContact O-N 3.31Å; E308-C310 PolarHBondContact O-N 3.41Å | ||
| 309 | S | 45.7 | Very low | 56.9 | Low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | trans | -58 | 104.6 | 175 | 48.6 | 0 | 0 | 0 | 0 | 108.4 | L307 | L307-S309 PolarHBondContact O-N 3.15Å; L307-S309 VanDerWaalsContact O-N 3.16Å | ||
| 310 | C | 38.5 | Very low | 55.8 | Low | 115 Ų | 115 | 123.4 Ų | 123.4 | 78% | 0.777 | 69% | 0.685 | S | S | * | * | trans | -52.2 | 129.6 | -179.4 | -57.9 | 0 | 0 | 0 | 0 | 109 | E308 S312 | E308-C310 PolarHBondContact O-N 3.41Å; C310-S312 PolarHBondContact O-N 3.3Å | ||
| 311 | P | 39.6 | Very low | 54.5 | Low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | trans | -60.1 | 118.8 | 175.1 | 24.9 | -32.6 | 0 | 0 | 0 | 107.8 | R313 | P311-R313 PolarHBondContact O-N 3.27Š| ||
| 312 | S | 40.8 | Very low | 52.9 | Low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | -59.5 | 100.2 | 174.3 | 52.3 | 0 | 0 | 0 | 0 | 107.9 | C310 G314 | C310-S312 PolarHBondContact O-N 3.3Å; S312-G314 PolarHBondContact O-N 3.42Å; S312-G314 VanDerWaalsContact O-N 3.08Å | ||
| 313 | R | 41.3 | Very low | 51 | Low | 232 Ų | 232 | 133 Ų | 133 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | trans | -57.5 | 118.4 | -172.4 | -162 | 176.7 | -176.5 | -174.5 | -0.4 | 108 | P311 | P311-R313 PolarHBondContact O-N 3.27Š| ||
| 314 | G | 39.8 | Very low | 49 | Very low | 57 Ų | 57 | 137.6 Ų | 137.6 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | trans | -56.1 | 145.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111 | S312 D316 | S312-G314 PolarHBondContact O-N 3.42Å; S312-G314 VanDerWaalsContact O-N 3.08Å; G314-D316 VanDerWaalsContact C-N 3.35Å; G314-D316 PolarHBondContact O-N 3.26Å | ||
| 315 | Q | 41.1 | Very low | 46.9 | Very low | 198 Ų | 198 | 138.3 Ų | 138.3 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -70.9 | 96.4 | 167.8 | -74.1 | -176.7 | -40.5 | 0 | 0 | 108.3 | K317 | Q315-K317 PolarHBondContact O-N 2.97Å; Q315-K317 VanDerWaalsContact O-N 3.07Å | ||
| 316 | D | 39.6 | Very low | 45.1 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -57.2 | 112.3 | 164.7 | -73.7 | -53.9 | 0 | 0 | 0 | 108.3 | G314 P318 | G314-D316 VanDerWaalsContact C-N 3.35Å; G314-D316 PolarHBondContact O-N 3.26Å; D316-P318 WeakPolarHBondContact O-CD 3.29Å | ||
| 317 | K | 40.8 | Very low | 43.7 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -82.6 | 116 | -178.1 | -178.1 | -174.9 | 173.7 | -170.8 | 0 | 108.7 | Q315 | Q315-K317 PolarHBondContact O-N 2.97Å; Q315-K317 VanDerWaalsContact O-N 3.07Å | ||
| 318 | P | 50.4 | Low | 42.5 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -64.6 | 153.2 | 170.4 | 29 | -34.1 | 0 | 0 | 0 | 110.5 | D316 | D316-P318 WeakPolarHBondContact O-CD 3.29Š| ||
| 319 | S | 46.5 | Very low | 42.2 | Very low | 195 Ų | 195 | 145.3 Ų | 145.3 | 100% | 1.364 | 84% | 0.843 | S | S | * | * | trans | -65.5 | 0 | -178.3 | -55.6 | 0 | 0 | 0 | 0 | 113.2 |
Retrieved 319 of 319 residues in 1039.3 ms
(Link to these results)