| 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 | 43.1 | Very low | 41.2 | Very low | 230 Ų | 230 | 153 Ų | 153 | 100% | 1.133 | 80% | 0.797 | S | S | * | * | 0 | 56.6 | 0 | -154.8 | 166.9 | -150.4 | 0 | 0 | 106.2 | |||||
| 2 | V | 37.3 | Very low | 40.9 | Very low | 123 Ų | 123 | 155.3 Ų | 155.3 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | 41.2 | 118.4 | 84.6 | -69 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 3 | D | 42.5 | Very low | 40.2 | Very low | 140 Ų | 140 | 155.5 Ų | 155.5 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | 83.2 | 77.2 | 153.3 | -49 | -35.9 | 0 | 0 | 0 | 119.4 | ||||
| 4 | C | 40.8 | Very low | 39.7 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -132.4 | 128 | 141.7 | -74.3 | 0 | 0 | 0 | 0 | 108 | ||
| 5 | F | 42.2 | Very low | 39.5 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | 89.2 | 61.3 | -176.8 | -65.2 | -91 | 0 | 0 | 0 | 116.3 | ||||
| 6 | L | 44.3 | Very low | 39.3 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -62.2 | 129.9 | 136.8 | -77.9 | 162.4 | 0 | 0 | 0 | 108.4 | ||||
| 7 | P | 45.6 | Very low | 39.2 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | trans | -67 | 136.8 | 164.3 | 25.9 | -28.9 | 0 | 0 | 0 | 109.1 | V9 | P7-V9 PolarHBondContact O-N 2.66Š| ||
| 8 | W | 35.3 | Very low | 39.2 | Very low | 234 Ų | 234 | 145.4 Ų | 145.4 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | trans | -62.1 | 96.2 | 174.7 | -174.9 | 76.6 | 0 | 0 | 0 | 109.3 | P10 | W8-P10 WeakPolarHBondContact O-CD 3.47Š| ||
| 9 | V | 42.8 | Very low | 39 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 66% | 0.655 | 78% | 0.784 | S | S | * | * | trans | -84.8 | 120 | 169 | 177.2 | 0 | 0 | 0 | 0 | 107.4 | P7 E11 | P7-V9 PolarHBondContact O-N 2.66Å; V9-E11 PolarHBondContact O-N 3.01Å | ||
| 10 | P | 41.9 | Very low | 39.3 | Very low | 90 Ų | 90 | 149.4 Ų | 149.4 | 58% | 0.584 | 79% | 0.792 | S | S | * | * | trans | -75.7 | 103.9 | 163.2 | 29.6 | -27.8 | 0 | 0 | 0 | 107.7 | W8 Q12 | W8-P10 WeakPolarHBondContact O-CD 3.47Å; P10-Q12 PolarHBondContact O-N 3.18Å | ||
| 11 | E | 36.9 | Very low | 39.2 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -67 | 99.2 | 174.1 | -167.9 | 154.4 | 114.1 | 0 | 0 | 109.6 | V9 K13 | V9-E11 PolarHBondContact O-N 3.01Å; E11-K13 PolarHBondContact O-N 3.42Å | ||
| 12 | Q | 37.7 | Very low | 39.1 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 106.3 | 164.7 | -86.3 | -170 | 5.3 | 0 | 0 | 108.8 | P10 C14 | P10-Q12 PolarHBondContact O-N 3.18Å; Q12-C14 PolarHBondContact O-N 2.87Å | ||
| 13 | K | 32.6 | Very low | 39 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -80.4 | 106.4 | 170.7 | -167.2 | 161.2 | -175.2 | 164.1 | 0 | 109.8 | E11 D15 | E11-K13 PolarHBondContact O-N 3.42Å; K13-D15 WeakPolarHBondContact CE-OD1 3.46Å; K13-D15 PolarHBondContact O-N 3.34Å | ||
| 14 | C | 32.7 | Very low | 38.7 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -77.6 | 91.1 | 164.5 | -84.3 | 0 | 0 | 0 | 0 | 109.3 | Q12 | Q12-C14 PolarHBondContact O-N 2.87Š| ||
| 15 | D | 37.3 | Very low | 38.7 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | trans | -88.6 | 102.8 | 164.2 | -73.5 | -29.2 | 0 | 0 | 0 | 108.9 | K13 | K13-D15 WeakPolarHBondContact CE-OD1 3.46Å; K13-D15 PolarHBondContact O-N 3.34Å | ||
| 16 | N | 35.3 | Very low | 38.7 | Very low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -86.2 | 105.1 | 169.7 | -164.9 | 7.3 | 0 | 0 | 0 | 108.2 | ||||
| 17 | T | 37.6 | Very low | 38.6 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -141.4 | 109.1 | 164.4 | -64.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 18 | G | 39.3 | Very low | 38.1 | Very low | 57 Ų | 57 | 147.6 Ų | 147.6 | 59% | 0.588 | 78% | 0.783 | S | S | * | * | trans | -70.4 | 151.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 19 | S | 36.4 | Very low | 38.3 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | -177.5 | 134.4 | 125.5 | -80.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 20 | R | 43.6 | Very low | 38.2 | Very low | 246 Ų | 246 | 143 Ų | 143 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | trans | -79.3 | 131.3 | 179.4 | -55.5 | 164.5 | 90.5 | 167.7 | 6.1 | 108.6 | ||||
| 21 | T | 37.2 | Very low | 38 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | trans | -155 | 142.1 | 151.7 | -1.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 22 | L | 40.9 | Very low | 38.3 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -88.2 | 165.8 | -161.5 | -69.3 | 159.4 | 0 | 0 | 0 | 115 | ||||
| 23 | H | 35.8 | Very low | 38.7 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | 91.6 | 109.5 | 148.8 | -67.9 | -65.4 | 0 | 0 | 0 | 121.4 | ||||
| 24 | S | 35.6 | Very low | 39.1 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | 63.9 | 110.4 | 121.2 | -155.7 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 25 | R | 41.6 | Very low | 40 | Very low | 221 Ų | 221 | 136.5 Ų | 136.5 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | -171.8 | 134.9 | 115.7 | -165.7 | 168.5 | 173.9 | 113.8 | -3 | 110.1 | |||||
| 26 | A | 43.3 | Very low | 40.4 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -72.3 | 137.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 27 | E | 41.9 | Very low | 41.2 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | trans | -165.8 | 108.1 | 151 | -108.1 | 157.4 | -170.6 | 0 | 0 | 110.4 | ||||
| 28 | T | 35.3 | Very low | 42.2 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | 56.9 | 97.8 | 139.7 | -8.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 29 | T | 38.3 | Very low | 43 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -0.4 | 135 | 134 | -48.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 30 | P | 41.9 | Very low | 44 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | -116 | 125.3 | 52.9 | 21.3 | -2.3 | 0 | 0 | 0 | 114 | L32 | P30-L32 PolarHBondContact O-N 2.91Š| |||
| 31 | S | 36.6 | Very low | 45.1 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -39.4 | 120.4 | 159.8 | 47.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 32 | L | 44.4 | Very low | 46.9 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | -11.5 | 131.3 | 139.8 | -171.9 | 71.5 | 0 | 0 | 0 | 111.2 | P30 T34 | P30-L32 PolarHBondContact O-N 2.91Å; L32-T34 PolarHBondContact O-N 3.45Å | ||
| 33 | P | 44.3 | Very low | 48.6 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 69% | 0.688 | 71% | 0.711 | S | S | * | * | trans | -64.3 | 92.2 | 162.2 | 28.2 | -29.7 | 0 | 0 | 0 | 106.1 | N35 | P33-N35 PolarHBondContact O-N 3.4Š| ||
| 34 | T | 41.5 | Very low | 50.8 | Low | 101 Ų | 101 | 123 Ų | 123 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | trans | -49.4 | 100.4 | 151 | -62.4 | 0 | 0 | 0 | 0 | 104 | L32 N36 | L32-T34 PolarHBondContact O-N 3.45Å; T34-N36 PolarHBondContact O-N 3.39Å | ||
| 35 | N | 51.6 | Low | 53.1 | Low | 152 Ų | 152 | 121.5 Ų | 121.5 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | trans | -58.7 | 91.9 | 168.1 | -85.6 | -46.2 | 0 | 0 | 0 | 105.7 | P33 P37 | P33-N35 PolarHBondContact O-N 3.4Å; N35-P37 VanDerWaalsContact O-CD 3.25Å; N35-P37 WeakPolarHBondContact O-CD 3.46Å | ||
| 36 | N | 45.8 | Very low | 55.3 | Low | 129 Ų | 129 | 113.2 Ų | 113.2 | 69% | 0.69 | 67% | 0.665 | S | S | * | * | trans | -89.2 | 103.2 | 175.3 | -145 | -11.8 | 0 | 0 | 0 | 103.5 | T34 G38 | T34-N36 PolarHBondContact O-N 3.39Å; N36-G38 PolarHBondContact O-N 2.93Å | ||
| 37 | P | 52.7 | Low | 57.5 | Low | 137 Ų | 137 | 117.1 Ų | 117.1 | 89% | 0.89 | 66% | 0.662 | S | S | * | * | trans | -81 | 57.4 | 177.2 | 36.3 | -33.9 | 0 | 0 | 0 | 107.9 | N35 | N35-P37 VanDerWaalsContact O-CD 3.25Å; N35-P37 WeakPolarHBondContact O-CD 3.46Å | ||
| 38 | G | 58 | Low | 59.6 | Low | 39 Ų | 39 | 112.4 Ų | 112.4 | 40% | 0.402 | 64% | 0.644 | S | S | . | * | trans | -141.6 | 103.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | N36 | N36-G38 PolarHBondContact O-N 2.93Š| ||
| 39 | N | 55.6 | Low | 62.3 | Low | 167 Ų | 167 | 111.3 Ų | 111.3 | 89% | 0.893 | 63% | 0.633 | S | S | * | * | trans | 103.8 | 34.2 | 171.8 | 84.8 | 10.8 | 0 | 0 | 0 | 119 | H41 | N39-H41 PolarHBondContact O-N 3.44Š| ||
| 40 | G | 58.3 | Low | 64.9 | Low | 49 Ų | 49 | 110.2 Ų | 110.2 | 51% | 0.505 | 63% | 0.626 | S | S | . | * | trans | -74.4 | 115.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 41 | H | 65.7 | Low | 67.4 | Low | 129 Ų | 129 | 107.6 Ų | 107.6 | 60% | 0.597 | 61% | 0.609 | S | S | * | * | trans | -45.6 | 126.9 | 171.3 | -146.1 | -101.4 | 0 | 0 | 0 | 109 | N39 E43 Y44 | N39-H41 PolarHBondContact O-N 3.44Å; H41-E43 PolarHBondContact O-N 3.33Å; H41-Y44 PolarHBondContact O-N 2.79Å | ||
| 42 | P | 74.8 | Confident | 70.2 | Confident | 97 Ų | 97 | 106.8 Ų | 106.8 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -57.6 | -23.1 | -172.2 | 22 | -33.4 | 0 | 0 | 0 | 112.7 | I45 A46 | P42-I45 PolarHBondContact O-N 2.74Å; P42-A46 PolarHBondContact O-N 3.49Å |
| 43 | E | 77.3 | Confident | 72.6 | Confident | 113 Ų | 113 | 108.1 Ų | 108.1 | 53% | 0.528 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.3 | -42.6 | 174 | -57.5 | -160.8 | -175.5 | 0 | 0 | 112.9 | H41 I45 A46 Y47 | H41-E43 PolarHBondContact O-N 3.33Å; E43-I45 VanDerWaalsContact C-N 3.34Å; E43-I45 PolarHBondContact O-N 3.2Å; E43-A46 PolarHBondContact O-N 3.31Å; E43-Y47 HydrophobicContact CB-CE2 4.16Å; E43-Y47 WeakPolarHBondContact O-CD2 3.45Å; E43-Y47 PolarHBondContact O-N 2.92Å |
| 44 | Y | 82.8 | Confident | 75.1 | Confident | 165 Ų | 165 | 109.3 Ų | 109.3 | 65% | 0.647 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.9 | -38.1 | 178.2 | -176.6 | -103.6 | 0 | 0 | 0 | 111.8 | H41 A46 Y47 V48 | H41-Y44 PolarHBondContact O-N 2.79Å; Y44-A46 VanDerWaalsContact C-N 3.32Å; Y44-A46 PolarHBondContact O-N 3.46Å; Y44-Y47 PolarHBondContact O-N 2.85Å; Y44-V48 HydrophobicContact CE1-CG2 4.16Å; Y44-V48 WeakPolarHBondContact O-CG2 3.38Å; Y44-V48 PolarHBondContact O-N 3.25Å |
| 45 | I | 84.3 | Confident | 77.6 | Confident | 84 Ų | 84 | 109 Ų | 109 | 43% | 0.431 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62 | -43.4 | 174.7 | -60.2 | 173.5 | 0 | 0 | 0 | 109.7 | P42 E43 V48 L49 | P42-I45 PolarHBondContact O-N 2.74Å; E43-I45 VanDerWaalsContact C-N 3.34Å; E43-I45 PolarHBondContact O-N 3.2Å; I45-V48 PolarHBondContact O-N 3.2Å; I45-L49 HydrophobicContact CG2-CD1 3.52Å; I45-L49 HydrophobicContact CG2-CG 3.93Å; I45-L49 WeakPolarHBondContact O-CB 3.16Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.24Å; I45-L49 PolarHBondContact O-N 3.34Å |
| 46 | A | 86.6 | Confident | 79.7 | Confident | 47 Ų | 47 | 107.4 Ų | 107.4 | 39% | 0.388 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.1 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P42 E43 Y44 V48 L49 V50 | P42-A46 PolarHBondContact O-N 3.49Å; E43-A46 PolarHBondContact O-N 3.31Å; Y44-A46 VanDerWaalsContact C-N 3.32Å; Y44-A46 PolarHBondContact O-N 3.46Å; A46-V48 PolarHBondContact O-N 3.45Å; A46-V48 VanDerWaalsContact O-N 3.15Å; A46-L49 PolarHBondContact O-N 2.96Å; A46-V50 VanDerWaalsContact O-CB 3.26Å; A46-V50 WeakPolarHBondContact O-CB 3.47Å; A46-V50 WeakPolarHBondContact O-CG2 3.32Å; A46-V50 PolarHBondContact O-N 2.92Å |
| 47 | Y | 88.7 | Confident | 82 | Confident | 172 Ų | 172 | 102.9 Ų | 102.9 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -21.2 | 176.7 | -73 | -61.3 | 0 | 0 | 0 | 113.7 | E43 Y44 P51 | E43-Y47 HydrophobicContact CB-CE2 4.16Å; E43-Y47 WeakPolarHBondContact O-CD2 3.45Å; E43-Y47 PolarHBondContact O-N 2.92Å; Y44-Y47 PolarHBondContact O-N 2.85Å; Y47-P51 WeakPolarHBondContact O-CD 3.1Å; Y47-P51 WeakPolarHBondContact O-CG 3.18Å |
| 48 | V | 88 | Confident | 84.1 | Confident | 66 Ų | 66 | 100.7 Ų | 100.7 | 40% | 0.4 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -94.6 | -44.7 | 174.9 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | Y44 I45 A46 P51 V52 | Y44-V48 HydrophobicContact CE1-CG2 4.16Å; Y44-V48 WeakPolarHBondContact O-CG2 3.38Å; Y44-V48 PolarHBondContact O-N 3.25Å; I45-V48 PolarHBondContact O-N 3.2Å; A46-V48 PolarHBondContact O-N 3.45Å; A46-V48 VanDerWaalsContact O-N 3.15Å; V48-P51 VanDerWaalsContact O-CD 3.32Å; V48-P51 WeakPolarHBondContact O-CD 3.49Å; V48-P51 WeakPolarHBondContact O-CG 3.27Å; V48-V52 WeakPolarHBondContact O-CB 3.24Å; V48-V52 WeakPolarHBondContact O-CG2 3.29Å; V48-V52 PolarHBondContact O-N 3.25Å |
| 49 | L | 91.4 | Very high | 85.9 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.5 | -38.1 | -177 | -68.7 | -177.4 | 0 | 0 | 0 | 113 | I45 A46 V52 F53 | I45-L49 HydrophobicContact CG2-CD1 3.52Å; I45-L49 HydrophobicContact CG2-CG 3.93Å; I45-L49 WeakPolarHBondContact O-CB 3.16Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.24Å; I45-L49 PolarHBondContact O-N 3.34Å; A46-L49 PolarHBondContact O-N 2.96Å; L49-V52 PolarHBondContact O-N 2.92Å; L49-F53 VanDerWaalsContact O-CB 3.23Å; L49-F53 WeakPolarHBondContact O-CB 3.32Å; L49-F53 PolarHBondContact O-N 3.39Å |
| 50 | V | 92.9 | Very high | 87.7 | Confident | 99 Ų | 99 | 96.2 Ų | 96.2 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.1 | -52.4 | -180 | 172.8 | 0 | 0 | 0 | 0 | 112.1 | A46 V52 F53 F54 | A46-V50 VanDerWaalsContact O-CB 3.26Å; A46-V50 WeakPolarHBondContact O-CB 3.47Å; A46-V50 WeakPolarHBondContact O-CG2 3.32Å; A46-V50 PolarHBondContact O-N 2.92Å; V50-V52 PolarHBondContact O-N 3.33Å; V50-F53 PolarHBondContact O-N 2.85Å; V50-F54 VanDerWaalsContact O-CB 3.29Å; V50-F54 WeakPolarHBondContact O-CB 3.34Å; V50-F54 PolarHBondContact O-N 3.28Å |
| 51 | P | 94.1 | Very high | 89.4 | Confident | 66 Ų | 66 | 98.6 Ų | 98.6 | 43% | 0.429 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -36.1 | 177.6 | 24.1 | -32.9 | 0 | 0 | 0 | 112.5 | Y47 V48 F54 V55 | Y47-P51 WeakPolarHBondContact O-CD 3.1Å; Y47-P51 WeakPolarHBondContact O-CG 3.18Å; V48-P51 VanDerWaalsContact O-CD 3.32Å; V48-P51 WeakPolarHBondContact O-CD 3.49Å; V48-P51 WeakPolarHBondContact O-CG 3.27Å; P51-F54 PolarHBondContact O-N 2.74Å; P51-V55 VanDerWaalsContact O-CG2 3.3Å; P51-V55 WeakPolarHBondContact O-CG2 3.38Å; P51-V55 PolarHBondContact O-N 3.46Å |
| 52 | V | 95 | Very high | 90.6 | Very high | 80 Ų | 80 | 97.3 Ų | 97.3 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | V48 L49 V50 F54 V55 M56 | V48-V52 WeakPolarHBondContact O-CB 3.24Å; V48-V52 WeakPolarHBondContact O-CG2 3.29Å; V48-V52 PolarHBondContact O-N 3.25Å; L49-V52 PolarHBondContact O-N 2.92Å; V50-V52 PolarHBondContact O-N 3.33Å; V52-F54 VanDerWaalsContact C-N 3.28Å; V52-F54 PolarHBondContact O-N 3.5Å; V52-V55 PolarHBondContact O-N 3.18Å; V52-M56 HydrophobicContact CG1-CG 4.32Å; V52-M56 WeakPolarHBondContact O-CB 3.4Å; V52-M56 VanDerWaalsContact O-CG 3.26Å; V52-M56 WeakPolarHBondContact O-CG 3.21Å; V52-M56 PolarHBondContact O-N 3.45Å |
| 53 | F | 95.6 | Very high | 91.4 | Very high | 166 Ų | 166 | 96.4 Ų | 96.4 | 73% | 0.728 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -36.9 | 177.5 | -173.7 | -99 | 0 | 0 | 0 | 111.9 | L49 V50 G57 | L49-F53 VanDerWaalsContact O-CB 3.23Å; L49-F53 WeakPolarHBondContact O-CB 3.32Å; L49-F53 PolarHBondContact O-N 3.39Å; V50-F53 PolarHBondContact O-N 2.85Å; F53-G57 WeakPolarHBondContact O-CA 3.37Å; F53-G57 PolarHBondContact O-N 3.47Å |
| 54 | F | 95.9 | Very high | 92 | Very high | 131 Ų | 131 | 93.8 Ų | 93.8 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -46.4 | 176.3 | -171 | -105.7 | 0 | 0 | 0 | 111.9 | V50 P51 V52 G57 L58 | V50-F54 VanDerWaalsContact O-CB 3.29Å; V50-F54 WeakPolarHBondContact O-CB 3.34Å; V50-F54 PolarHBondContact O-N 3.28Å; P51-F54 PolarHBondContact O-N 2.74Å; V52-F54 VanDerWaalsContact C-N 3.28Å; V52-F54 PolarHBondContact O-N 3.5Å; F54-G57 PolarHBondContact O-N 2.9Å; F54-L58 HydrophobicContact CD1-CD1 3.78Å; F54-L58 HydrophobicContact CD1-CG 4.34Å; F54-L58 HydrophobicContact CE1-CD1 3.28Å; F54-L58 HydrophobicContact CE1-CG 4.12Å; F54-L58 HydrophobicContact CE2-CD1 4.29Å; F54-L58 HydrophobicContact CE2-CG 4.37Å; F54-L58 HydrophobicContact CG-CD1 4.48Å; F54-L58 HydrophobicContact CZ-CD1 3.58Å; F54-L58 HydrophobicContact CZ-CD2 4.41Å; F54-L58 HydrophobicContact CZ-CG 4.13Å; F54-L58 WeakPolarHBondContact O-CB 3.09Å; F54-L58 VanDerWaalsContact O-CG 3.27Å; F54-L58 WeakPolarHBondContact O-CG 3.28Å; F54-L58 PolarHBondContact O-N 3.42Å |
| 55 | V | 95.1 | Very high | 92.3 | Very high | 93 Ų | 93 | 91.6 Ų | 91.6 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -45.9 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | P51 V52 L58 L59 | P51-V55 VanDerWaalsContact O-CG2 3.3Å; P51-V55 WeakPolarHBondContact O-CG2 3.38Å; P51-V55 PolarHBondContact O-N 3.46Å; V52-V55 PolarHBondContact O-N 3.18Å; V55-L58 PolarHBondContact O-N 3.31Å; V55-L59 WeakPolarHBondContact O-CB 2.94Å; V55-L59 PolarHBondContact O-N 2.93Å |
| 56 | M | 94.6 | Very high | 92.6 | Very high | 120 Ų | 120 | 92.1 Ų | 92.1 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 177.3 | -67.7 | -57.5 | -67.6 | 0 | 0 | 112.2 | V52 L59 G60 | V52-M56 HydrophobicContact CG1-CG 4.32Å; V52-M56 WeakPolarHBondContact O-CB 3.4Å; V52-M56 VanDerWaalsContact O-CG 3.26Å; V52-M56 WeakPolarHBondContact O-CG 3.21Å; V52-M56 PolarHBondContact O-N 3.45Å; M56-L59 PolarHBondContact O-N 2.84Å; M56-G60 PolarHBondContact O-N 2.91Å |
| 57 | G | 95.3 | Very high | 92.7 | Very high | 33 Ų | 33 | 93.1 Ų | 93.1 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.2 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F53 F54 L59 G60 V61 | F53-G57 WeakPolarHBondContact O-CA 3.37Å; F53-G57 PolarHBondContact O-N 3.47Å; F54-G57 PolarHBondContact O-N 2.9Å; G57-L59 VanDerWaalsContact C-N 3.35Å; G57-G60 PolarHBondContact O-N 3.07Å; G57-V61 WeakPolarHBondContact O-CG2 3.46Å; G57-V61 PolarHBondContact O-N 2.85Å |
| 58 | L | 96 | Very high | 92.4 | Very high | 91 Ų | 91 | 92.4 Ų | 92.4 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 174.5 | -72.7 | -174.3 | 0 | 0 | 0 | 111.9 | F54 V55 G60 V61 L62 | F54-L58 HydrophobicContact CD1-CD1 3.78Å; F54-L58 HydrophobicContact CD1-CG 4.34Å; F54-L58 HydrophobicContact CE1-CD1 3.28Å; F54-L58 HydrophobicContact CE1-CG 4.12Å; F54-L58 HydrophobicContact CE2-CD1 4.29Å; F54-L58 HydrophobicContact CE2-CG 4.37Å; F54-L58 HydrophobicContact CG-CD1 4.48Å; F54-L58 HydrophobicContact CZ-CD1 3.58Å; F54-L58 HydrophobicContact CZ-CD2 4.41Å; F54-L58 HydrophobicContact CZ-CG 4.13Å; F54-L58 WeakPolarHBondContact O-CB 3.09Å; F54-L58 VanDerWaalsContact O-CG 3.27Å; F54-L58 WeakPolarHBondContact O-CG 3.28Å; F54-L58 PolarHBondContact O-N 3.42Å; V55-L58 PolarHBondContact O-N 3.31Å; L58-G60 VanDerWaalsContact C-N 3.33Å; L58-V61 PolarHBondContact O-N 2.95Å; L58-L62 VanDerWaalsContact O-CB 3.24Å; L58-L62 WeakPolarHBondContact O-CB 3.38Å; L58-L62 PolarHBondContact O-N 3.16Å |
| 59 | L | 95.1 | Very high | 92.2 | Very high | 81 Ų | 81 | 97.6 Ų | 97.6 | 42% | 0.424 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 173.6 | -177.6 | 63.6 | 0 | 0 | 0 | 110.8 | V55 M56 G57 L62 I63 | V55-L59 WeakPolarHBondContact O-CB 2.94Å; V55-L59 PolarHBondContact O-N 2.93Å; M56-L59 PolarHBondContact O-N 2.84Å; G57-L59 VanDerWaalsContact C-N 3.35Å; L59-L62 PolarHBondContact O-N 3.28Å; L59-I63 HydrophobicContact CD1-CD1 3.93Å; L59-I63 HydrophobicContact CD1-CG1 4.2Å; L59-I63 HydrophobicContact CD2-CD1 4.43Å; L59-I63 HydrophobicContact CG-CD1 3.73Å; L59-I63 HydrophobicContact CG-CG1 4.39Å; L59-I63 WeakPolarHBondContact O-CB 3.46Å; L59-I63 WeakPolarHBondContact O-CG1 3.17Å; L59-I63 PolarHBondContact O-N 2.7Å |
| 60 | G | 93.7 | Very high | 91.8 | Very high | 31 Ų | 31 | 100.4 Ų | 100.4 | 32% | 0.32 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M56 G57 L58 L62 I63 C64 | M56-G60 PolarHBondContact O-N 2.91Å; G57-G60 PolarHBondContact O-N 3.07Å; L58-G60 VanDerWaalsContact C-N 3.33Å; G60-L62 VanDerWaalsContact C-N 3.34Å; G60-L62 PolarHBondContact O-N 3.42Å; G60-I63 PolarHBondContact O-N 3.1Å; G60-C64 VanDerWaalsContact O-CB 3.28Å; G60-C64 WeakPolarHBondContact O-CB 3.46Å; G60-C64 PolarHBondContact O-N 3.29Å; G60-C64 PolarHBondContact O-SG 3.35Å |
| 61 | V | 93.6 | Very high | 91.2 | Very high | 99 Ų | 99 | 98.7 Ų | 98.7 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | G57 L58 C64 H65 | G57-V61 WeakPolarHBondContact O-CG2 3.46Å; G57-V61 PolarHBondContact O-N 2.85Å; L58-V61 PolarHBondContact O-N 2.95Å; V61-C64 PolarHBondContact O-N 2.93Å; V61-H65 WeakPolarHBondContact O-CB 3.13Å; V61-H65 PolarHBondContact O-N 2.85Å |
| 62 | L | 92.6 | Very high | 90.5 | Very high | 102 Ų | 102 | 102.2 Ų | 102.2 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 179.6 | -173.3 | 134.9 | 0 | 0 | 0 | 111.4 | L58 L59 G60 H65 L66 | L58-L62 VanDerWaalsContact O-CB 3.24Å; L58-L62 WeakPolarHBondContact O-CB 3.38Å; L58-L62 PolarHBondContact O-N 3.16Å; L59-L62 PolarHBondContact O-N 3.28Å; G60-L62 VanDerWaalsContact C-N 3.34Å; G60-L62 PolarHBondContact O-N 3.42Å; L62-H65 PolarHBondContact O-N 3.36Å; L62-L66 HydrophobicContact CD2-CD1 3.75Å; L62-L66 HydrophobicContact CD2-CG 4.49Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.22Å; L62-L66 PolarHBondContact O-N 2.93Å |
| 63 | I | 91.6 | Very high | 89.5 | Confident | 79 Ų | 79 | 105.8 Ų | 105.8 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 174.1 | -67.1 | 167.1 | 0 | 0 | 0 | 109.6 | L59 G60 H65 L66 L67 | L59-I63 HydrophobicContact CD1-CD1 3.93Å; L59-I63 HydrophobicContact CD1-CG1 4.2Å; L59-I63 HydrophobicContact CD2-CD1 4.43Å; L59-I63 HydrophobicContact CG-CD1 3.73Å; L59-I63 HydrophobicContact CG-CG1 4.39Å; L59-I63 WeakPolarHBondContact O-CB 3.46Å; L59-I63 WeakPolarHBondContact O-CG1 3.17Å; L59-I63 PolarHBondContact O-N 2.7Å; G60-I63 PolarHBondContact O-N 3.1Å; I63-H65 VanDerWaalsContact C-N 3.26Å; I63-H65 PolarHBondContact O-N 2.94Å; I63-L66 PolarHBondContact O-N 3.17Å; I63-L66 VanDerWaalsContact O-N 3.16Å; I63-L67 HydrophobicContact CG2-CD1 3.67Å; I63-L67 HydrophobicContact CG2-CG 4.13Å; I63-L67 WeakPolarHBondContact O-CB 3.38Å; I63-L67 WeakPolarHBondContact O-CG 3.38Å; I63-L67 PolarHBondContact O-N 3.16Å |
| 64 | C | 89.3 | Confident | 88.2 | Confident | 57 Ų | 57 | 101.2 Ų | 101.2 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56 | -39.3 | 175.1 | -75.3 | 0 | 0 | 0 | 0 | 112.5 | G60 V61 K68 | G60-C64 VanDerWaalsContact O-CB 3.28Å; G60-C64 WeakPolarHBondContact O-CB 3.46Å; G60-C64 PolarHBondContact O-N 3.29Å; G60-C64 PolarHBondContact O-SG 3.35Å; V61-C64 PolarHBondContact O-N 2.93Å; C64-K68 WeakPolarHBondContact O-CB 3.44Å; C64-K68 PolarHBondContact O-N 3.14Å |
| 65 | H | 89.9 | Confident | 86.5 | Confident | 119 Ų | 119 | 99.8 Ų | 99.8 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.6 | -37.3 | 178.9 | -165.2 | -83.5 | 0 | 0 | 0 | 112.7 | V61 L62 I63 K69 | V61-H65 WeakPolarHBondContact O-CB 3.13Å; V61-H65 PolarHBondContact O-N 2.85Å; L62-H65 PolarHBondContact O-N 3.36Å; I63-H65 VanDerWaalsContact C-N 3.26Å; I63-H65 PolarHBondContact O-N 2.94Å; H65-K69 VanDerWaalsContact O-CB 3.27Å; H65-K69 WeakPolarHBondContact O-CB 3.31Å; H65-K69 PolarHBondContact O-N 3.43Å |
| 66 | L | 90.3 | Very high | 84.5 | Confident | 96 Ų | 96 | 101.9 Ų | 101.9 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 174.4 | -69 | 174.3 | 0 | 0 | 0 | 111.5 | L62 I63 K69 K70 | L62-L66 HydrophobicContact CD2-CD1 3.75Å; L62-L66 HydrophobicContact CD2-CG 4.49Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.22Å; L62-L66 PolarHBondContact O-N 2.93Å; I63-L66 PolarHBondContact O-N 3.17Å; I63-L66 VanDerWaalsContact O-N 3.16Å; L66-K69 PolarHBondContact O-N 3.17Å; L66-K70 PolarHBondContact O-N 2.66Å; L66-K70 VanDerWaalsContact O-N 3.14Å |
| 67 | L | 87.2 | Confident | 82.2 | Confident | 67 Ų | 67 | 103.6 Ų | 103.6 | 35% | 0.351 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 174.7 | -70.4 | 177.3 | 0 | 0 | 0 | 110.3 | I63 K69 K70 G71 Y72 | I63-L67 HydrophobicContact CG2-CD1 3.67Å; I63-L67 HydrophobicContact CG2-CG 4.13Å; I63-L67 WeakPolarHBondContact O-CB 3.38Å; I63-L67 WeakPolarHBondContact O-CG 3.38Å; I63-L67 PolarHBondContact O-N 3.16Å; L67-K69 VanDerWaalsContact C-N 3.35Å; L67-K69 PolarHBondContact O-N 3.43Å; L67-K70 CarbonylContact O-C 3.57Å; L67-K70 PolarHBondContact O-N 3.11Å; L67-K70 VanDerWaalsContact O-N 3.16Å; L67-G71 PolarHBondContact O-N 2.92Å; L67-Y72 HydrophobicContact CB-CD2 4.35Å; L67-Y72 HydrophobicContact CB-CG 4.48Å; L67-Y72 HydrophobicContact CD2-CD2 3.73Å; L67-Y72 HydrophobicContact CD2-CE2 4.27Å; L67-Y72 HydrophobicContact CD2-CG 3.98Å; L67-Y72 WeakPolarHBondContact O-CB 3.34Å; L67-Y72 WeakPolarHBondContact O-CD2 3.27Å; L67-Y72 PolarHBondContact O-N 3.14Å |
| 68 | K | 83.3 | Confident | 79.8 | Confident | 157 Ų | 157 | 106.1 Ų | 106.1 | 68% | 0.683 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.7 | -40 | 175.3 | -177 | 173.7 | 175.6 | 169.8 | 0 | 113 | C64 K70 G71 | C64-K68 WeakPolarHBondContact O-CB 3.44Å; C64-K68 PolarHBondContact O-N 3.14Å; K68-K70 VanDerWaalsContact C-N 3.27Å; K68-K70 PolarHBondContact O-N 3.45Å; K68-G71 PolarHBondContact O-N 3.26Å; K68-G71 VanDerWaalsContact O-N 3.17Å |
| 69 | K | 84.4 | Confident | 77.3 | Confident | 175 Ų | 175 | 110.7 Ų | 110.7 | 76% | 0.761 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.6 | -23.8 | 179.4 | -161.5 | 175.4 | -177.6 | -179.9 | 0 | 112.7 | H65 L66 L67 | H65-K69 VanDerWaalsContact O-CB 3.27Å; H65-K69 WeakPolarHBondContact O-CB 3.31Å; H65-K69 PolarHBondContact O-N 3.43Å; L66-K69 PolarHBondContact O-N 3.17Å; L67-K69 VanDerWaalsContact C-N 3.35Å; L67-K69 PolarHBondContact O-N 3.43Å |
| 70 | K | 82.2 | Confident | 74.5 | Confident | 167 Ų | 167 | 116.2 Ų | 116.2 | 73% | 0.726 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 1.7 | 172.8 | -75.6 | -179.1 | 173.8 | 171 | 0 | 113.6 | L66 L67 K68 Y72 | L66-K70 PolarHBondContact O-N 2.66Å; L66-K70 VanDerWaalsContact O-N 3.14Å; L67-K70 CarbonylContact O-C 3.57Å; L67-K70 PolarHBondContact O-N 3.11Å; L67-K70 VanDerWaalsContact O-N 3.16Å; K68-K70 VanDerWaalsContact C-N 3.27Å; K68-K70 PolarHBondContact O-N 3.45Å; K70-Y72 HydrophobicContact CB-CD2 3.52Å; K70-Y72 HydrophobicContact CB-CE2 3.43Å; K70-Y72 VanDerWaalsContact CB-CE2 3.43Å; K70-Y72 HydrophobicContact CD-CE2 3.94Å; K70-Y72 HydrophobicContact CG-CE2 4.33Å |
| 71 | G | 80.3 | Confident | 71.8 | Confident | 63 Ų | 63 | 122.1 Ų | 122.1 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.7 | 7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L67 K68 R73 | L67-G71 PolarHBondContact O-N 2.92Å; K68-G71 PolarHBondContact O-N 3.26Å; K68-G71 VanDerWaalsContact O-N 3.17Å; G71-R73 PolarHBondContact O-N 3.14Å |
| 72 | Y | 80.1 | Confident | 69.2 | Low | 140 Ų | 140 | 124.2 Ų | 124.2 | 55% | 0.549 | 64% | 0.64 | S | S | . | * | trans | -71.1 | 130.4 | 173 | -60.8 | -83.5 | 0 | 0 | 0 | 109.7 | L67 K70 | L67-Y72 HydrophobicContact CB-CD2 4.35Å; L67-Y72 HydrophobicContact CB-CG 4.48Å; L67-Y72 HydrophobicContact CD2-CD2 3.73Å; L67-Y72 HydrophobicContact CD2-CE2 4.27Å; L67-Y72 HydrophobicContact CD2-CG 3.98Å; L67-Y72 WeakPolarHBondContact O-CB 3.34Å; L67-Y72 WeakPolarHBondContact O-CD2 3.27Å; L67-Y72 PolarHBondContact O-N 3.14Å; K70-Y72 HydrophobicContact CB-CD2 3.52Å; K70-Y72 HydrophobicContact CB-CE2 3.43Å; K70-Y72 VanDerWaalsContact CB-CE2 3.43Å; K70-Y72 HydrophobicContact CD-CE2 3.94Å; K70-Y72 HydrophobicContact CG-CE2 4.33Å | ||
| 73 | R | 73.4 | Confident | 66.7 | Low | 154 Ų | 154 | 128.1 Ų | 128.1 | 58% | 0.581 | 66% | 0.656 | S | S | * | * | trans | -80.6 | 123.8 | 170.5 | -66.7 | -123.2 | -179.6 | 164.9 | -0.4 | 107.9 | G71 T75 I96 | G71-R73 PolarHBondContact O-N 3.14Å; R73-T75 VanDerWaalsContact C-N 3.33Å; R73-T75 PolarHBondContact O-N 3.09Å; R73-I96 HydrophobicContact CG-CG2 3.88Å | ||
| 74 | C | 67.9 | Low | 64.1 | Low | 71 Ų | 71 | 132.4 Ų | 132.4 | 48% | 0.48 | 67% | 0.674 | S | S | . | * | trans | -74.4 | 90 | 174.1 | -50.4 | 0 | 0 | 0 | 0 | 108.4 | T76 | C74-T76 PolarHBondContact O-N 3.42Š| ||
| 75 | T | 61.3 | Low | 61.6 | Low | 100 Ų | 100 | 138.8 Ų | 138.8 | 61% | 0.613 | 70% | 0.698 | S | S | * | * | trans | -83.3 | 99.7 | 164.8 | 49.4 | 0 | 0 | 0 | 0 | 107 | R73 E77 | R73-T75 VanDerWaalsContact C-N 3.33Å; R73-T75 PolarHBondContact O-N 3.09Å; T75-E77 VanDerWaalsContact C-N 3.28Å; T75-E77 PolarHBondContact O-N 3.02Å; T75-E77 VanDerWaalsContact O-N 3.16Å | ||
| 76 | T | 53.6 | Low | 59.2 | Low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | trans | -82.9 | 79.5 | 169.8 | 48.6 | 0 | 0 | 0 | 0 | 107.6 | C74 | C74-T76 PolarHBondContact O-N 3.42Š| ||
| 77 | E | 44.8 | Very low | 56.4 | Low | 157 Ų | 157 | 144.2 Ų | 144.2 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -124.8 | 6.6 | 178.9 | 74.1 | -173.6 | 167.8 | 0 | 0 | 115.2 | T75 | T75-E77 VanDerWaalsContact C-N 3.28Å; T75-E77 PolarHBondContact O-N 3.02Å; T75-E77 VanDerWaalsContact O-N 3.16Å | ||
| 78 | A | 45.7 | Very low | 54.2 | Low | 86 Ų | 86 | 149.8 Ų | 149.8 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -132.3 | 99 | 164.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||
| 79 | E | 42.4 | Very low | 52.4 | Low | 187 Ų | 187 | 150.7 Ų | 150.7 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | S | Bend | -170.2 | 43.4 | 89.4 | -79 | 168.1 | -179.3 | 0 | 0 | 109.9 | E81 | E79-E81 PolarHBondContact O-N 2.86Š| |
| 80 | Q | 38.2 | Very low | 50.5 | Low | 196 Ų | 196 | 149.3 Ų | 149.3 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -93.9 | 40.7 | 162.2 | -156.8 | 175.7 | 1.2 | 0 | 0 | 110 | ||
| 81 | E | 35.3 | Very low | 48.4 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | -132.6 | 73.4 | 175 | -72.4 | -173.8 | 177.5 | 0 | 0 | 108.1 | E79 | E79-E81 PolarHBondContact O-N 2.86Š| ||
| 82 | V | 39.9 | Very low | 47.2 | Very low | 143 Ų | 143 | 153.6 Ų | 153.6 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -111 | -2 | 151.9 | -180 | 0 | 0 | 0 | 0 | 110.2 | ||
| 83 | E | 39.3 | Very low | 45.3 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -138 | 58.5 | 178.1 | -67.5 | -172.7 | 158.8 | 0 | 0 | 111.3 | ||
| 84 | E | 36.8 | Very low | 44 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -162.7 | 71.2 | 152.5 | -110.7 | 167.4 | -160.6 | 0 | 0 | 109.8 | K86 | E84-K86 PolarHBondContact O-N 3.43Š| ||
| 85 | E | 37.8 | Very low | 43.1 | Very low | 192 Ų | 192 | 151.8 Ų | 151.8 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -52.6 | 123.5 | 158.7 | -176.3 | -173 | 146.6 | 0 | 0 | 109.2 | ||||
| 86 | K | 38.4 | Very low | 42.7 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 84.5 | 98.6 | -174.3 | -68.3 | 177 | 164 | 179.7 | 0 | 115.2 | E84 | E84-K86 PolarHBondContact O-N 3.43Š| ||
| 87 | V | 32.5 | Very low | 42.7 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | -174.6 | 85.2 | 98.1 | 160.2 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 88 | E | 40.7 | Very low | 43.2 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -74.2 | 117.8 | 161.5 | -178.5 | -172 | 175.4 | 0 | 0 | 107.8 | ||||
| 89 | K | 45.7 | Very low | 43.7 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | 177.1 | 118.1 | 139.2 | -98.8 | 161.5 | -170.5 | 178.2 | 0 | 111.2 | ||||
| 90 | I | 43.3 | Very low | 44.3 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | 79.1 | 120.8 | 153.5 | -47.4 | 151.9 | 0 | 0 | 0 | 111.9 | ||||
| 91 | E | 39.2 | Very low | 45.8 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | cis | -161.2 | 131.1 | 23.5 | -147.3 | 165.6 | 149.4 | 0 | 0 | 108 | N93 | E91-N93 PolarHBondContact O-N 3.16Š| ||
| 92 | L | 54.3 | Low | 47.8 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -71 | 114.8 | 162.1 | -166.9 | 170.7 | 0 | 0 | 0 | 106.6 | ||||
| 93 | N | 41.1 | Very low | 49.8 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | -142.1 | 106 | 153.8 | -158.1 | 10.3 | 0 | 0 | 0 | 110.7 | E91 | E91-N93 PolarHBondContact O-N 3.16Š| ||
| 94 | D | 45.7 | Very low | 51.8 | Low | 131 Ų | 131 | 125.6 Ų | 125.6 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | trans | -37.1 | 165 | 157.4 | -94 | -50.9 | 0 | 0 | 0 | 113 | ||||
| 95 | S | 49.7 | Very low | 53.9 | Low | 58 Ų | 58 | 121.2 Ų | 121.2 | 41% | 0.406 | 64% | 0.636 | S | S | . | * | trans | 90.2 | 64.5 | 165.4 | 79 | 0 | 0 | 0 | 0 | 117.5 | N97 E98 | S95-N97 PolarHBondContact O-N 2.94Å; S95-E98 WeakPolarHBondContact O-CG 3.24Å; S95-E98 PolarHBondContact O-N 2.88Å; S95-E98 WeakPolarHBondContact OG-CG 3.21Å | ||
| 96 | I | 51.4 | Low | 56.1 | Low | 107 Ų | 107 | 116.3 Ų | 116.3 | 55% | 0.549 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | 30.9 | 157.8 | -162.9 | 148.1 | 0 | 0 | 0 | 113.5 | R73 | R73-I96 HydrophobicContact CG-CG2 3.88Š|
| 97 | N | 55 | Low | 58.4 | Low | 133 Ų | 133 | 111 Ų | 111 | 71% | 0.711 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 10.7 | 165.4 | -171.7 | 63 | 0 | 0 | 0 | 112.3 | S95 | S95-N97 PolarHBondContact O-N 2.94Š|
| 98 | E | 55.7 | Low | 60.7 | Low | 83 Ų | 83 | 109.4 Ų | 109.4 | 39% | 0.388 | 58% | 0.581 | S | S | . | * | trans | -96.4 | -0.3 | -176.5 | -56.8 | -62.1 | 133.3 | 0 | 0 | 113.7 | S95 S100 D101 T102 | S95-E98 WeakPolarHBondContact O-CG 3.24Å; S95-E98 PolarHBondContact O-N 2.88Å; S95-E98 WeakPolarHBondContact OG-CG 3.21Å; E98-S100 VanDerWaalsContact C-N 3.3Å; E98-S100 PolarHBondContact O-N 2.85Å; E98-D101 CarbonylContact O-C 3.52Å; E98-D101 WeakPolarHBondContact O-CA 3.28Å; E98-D101 PolarHBondContact O-N 3.38Å; E98-T102 PolarHBondContact O-N 2.97Å; E98-T102 PolarHBondContact O-OG1 3.49Å; E98-T102 VanDerWaalsContact O-OG1 3.1Å | ||
| 99 | N | 56.2 | Low | 62.8 | Low | 108 Ų | 108 | 108.3 Ų | 108.3 | 58% | 0.578 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -14.4 | -172.1 | 67.6 | 61.7 | 0 | 0 | 0 | 114.8 | ||
| 100 | S | 55 | Low | 64.5 | Low | 96 Ų | 96 | 103.6 Ų | 103.6 | 67% | 0.671 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -24.1 | 165.4 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | E98 | E98-S100 VanDerWaalsContact C-N 3.3Å; E98-S100 PolarHBondContact O-N 2.85Å |
| 101 | D | 68.6 | Low | 66.4 | Low | 65 Ų | 65 | 102.5 Ų | 102.5 | 35% | 0.348 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -92.7 | -15.5 | -179.7 | -151.5 | 21.5 | 0 | 0 | 0 | 112.3 | E98 V103 G104 Q105 | E98-D101 CarbonylContact O-C 3.52Å; E98-D101 WeakPolarHBondContact O-CA 3.28Å; E98-D101 PolarHBondContact O-N 3.38Å; D101-V103 VanDerWaalsContact C-N 3.33Å; D101-V103 PolarHBondContact O-N 2.89Å; D101-G104 CarbonylContact O-C 3.56Å; D101-G104 PolarHBondContact O-N 3.39Å; D101-G104 VanDerWaalsContact O-N 3.16Å; D101-Q105 WeakPolarHBondContact O-CB 3.41Å; D101-Q105 PolarHBondContact O-N 3.05Å; D101-Q105 PolarHBondContact OD2-NE2 2.87Å; D101-Q105 PolarHBondContact OD2-OE1 3.43Å |
| 102 | T | 76.7 | Confident | 68.4 | Low | 72 Ų | 72 | 102.1 Ų | 102.1 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 175 | -43.7 | 0 | 0 | 0 | 0 | 111.8 | E98 I106 | E98-T102 PolarHBondContact O-N 2.97Å; E98-T102 PolarHBondContact O-OG1 3.49Å; E98-T102 VanDerWaalsContact O-OG1 3.1Å; T102-I106 HydrophobicContact CG2-CD1 3.98Å; T102-I106 WeakPolarHBondContact O-CB 3.16Å; T102-I106 VanDerWaalsContact O-CD1 3.28Å; T102-I106 WeakPolarHBondContact O-CD1 3.22Å; T102-I106 WeakPolarHBondContact O-CG1 3.4Å; T102-I106 PolarHBondContact O-N 3.45Å |
| 103 | V | 82.6 | Confident | 69.6 | Low | 98 Ų | 98 | 98.6 Ų | 98.6 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.5 | -40.9 | 175.2 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | D101 I106 V107 | D101-V103 VanDerWaalsContact C-N 3.33Å; D101-V103 PolarHBondContact O-N 2.89Å; V103-I106 PolarHBondContact O-N 3.26Å; V103-V107 HydrophobicContact CG1-CG2 4.46Å; V103-V107 VanDerWaalsContact O-CG2 3.29Å; V103-V107 WeakPolarHBondContact O-CG2 3.26Å; V103-V107 PolarHBondContact O-N 3.22Å |
| 104 | G | 82.1 | Confident | 71.5 | Confident | 34 Ų | 34 | 99.9 Ų | 99.9 | 35% | 0.351 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D101 V107 H108 | D101-G104 CarbonylContact O-C 3.56Å; D101-G104 PolarHBondContact O-N 3.39Å; D101-G104 VanDerWaalsContact O-N 3.16Å; G104-V107 PolarHBondContact O-N 2.84Å; G104-H108 VanDerWaalsContact O-CB 3.24Å; G104-H108 WeakPolarHBondContact O-CB 3.41Å; G104-H108 PolarHBondContact O-N 3.45Å |
| 105 | Q | 80.4 | Confident | 72.9 | Confident | 77 Ų | 77 | 96.6 Ų | 96.6 | 36% | 0.36 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 173.5 | -112.4 | 98.8 | 67.9 | 0 | 0 | 111.1 | D101 V107 H108 Y109 | D101-Q105 WeakPolarHBondContact O-CB 3.41Å; D101-Q105 PolarHBondContact O-N 3.05Å; D101-Q105 PolarHBondContact OD2-NE2 2.87Å; D101-Q105 PolarHBondContact OD2-OE1 3.43Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 2.86Å; Q105-H108 CarbonylContact O-C 3.56Å; Q105-H108 PolarHBondContact O-N 3.03Å; Q105-Y109 HydrophobicContact CB-CD2 4.07Å; Q105-Y109 HydrophobicContact CB-CE2 3.9Å; Q105-Y109 HydrophobicContact CG-CD2 4.29Å; Q105-Y109 HydrophobicContact CG-CE2 3.7Å; Q105-Y109 WeakPolarHBondContact O-CB 3.3Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.4Å; Q105-Y109 PolarHBondContact O-N 3.12Å |
| 106 | I | 83.9 | Confident | 74.1 | Confident | 89 Ų | 89 | 96.4 Ų | 96.4 | 46% | 0.456 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 178.6 | -69.9 | 161.7 | 0 | 0 | 0 | 110.4 | T102 V103 H108 Y109 I110 | T102-I106 HydrophobicContact CG2-CD1 3.98Å; T102-I106 WeakPolarHBondContact O-CB 3.16Å; T102-I106 VanDerWaalsContact O-CD1 3.28Å; T102-I106 WeakPolarHBondContact O-CD1 3.22Å; T102-I106 WeakPolarHBondContact O-CG1 3.4Å; T102-I106 PolarHBondContact O-N 3.45Å; V103-I106 PolarHBondContact O-N 3.26Å; I106-H108 VanDerWaalsContact C-N 3.33Å; I106-H108 PolarHBondContact O-N 3.3Å; I106-Y109 PolarHBondContact O-N 3.11Å; I106-I110 HydrophobicContact CG2-CD1 3.62Å; I106-I110 HydrophobicContact CG2-CG1 4.31Å; I106-I110 WeakPolarHBondContact O-CB 3.27Å; I106-I110 WeakPolarHBondContact O-CD1 3.37Å; I106-I110 WeakPolarHBondContact O-CG1 3.35Å; I106-I110 PolarHBondContact O-N 3.43Å |
| 107 | V | 86.1 | Confident | 75.3 | Confident | 75 Ų | 75 | 93.3 Ų | 93.3 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | V103 G104 Q105 I110 M111 | V103-V107 HydrophobicContact CG1-CG2 4.46Å; V103-V107 VanDerWaalsContact O-CG2 3.29Å; V103-V107 WeakPolarHBondContact O-CG2 3.26Å; V103-V107 PolarHBondContact O-N 3.22Å; G104-V107 PolarHBondContact O-N 2.84Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 2.86Å; V107-I110 PolarHBondContact O-N 2.89Å; V107-M111 HydrophobicContact CG1-CE 4.1Å; V107-M111 WeakPolarHBondContact O-CB 3.49Å; V107-M111 PolarHBondContact O-N 3.46Å |
| 108 | H | 80.8 | Confident | 76.4 | Confident | 108 Ų | 108 | 92.4 Ų | 92.4 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 177.1 | -177.3 | -103.7 | 0 | 0 | 0 | 112 | G104 Q105 I106 M111 K112 | G104-H108 VanDerWaalsContact O-CB 3.24Å; G104-H108 WeakPolarHBondContact O-CB 3.41Å; G104-H108 PolarHBondContact O-N 3.45Å; Q105-H108 CarbonylContact O-C 3.56Å; Q105-H108 PolarHBondContact O-N 3.03Å; I106-H108 VanDerWaalsContact C-N 3.33Å; I106-H108 PolarHBondContact O-N 3.3Å; H108-M111 PolarHBondContact O-N 3.03Å; H108-K112 WeakPolarHBondContact O-CB 3.29Å; H108-K112 PolarHBondContact O-N 2.9Å |
| 109 | Y | 84.5 | Confident | 77.6 | Confident | 161 Ų | 161 | 92.9 Ų | 92.9 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 173.7 | -78.4 | -62.7 | 0 | 0 | 0 | 112 | Q105 I106 N113 | Q105-Y109 HydrophobicContact CB-CD2 4.07Å; Q105-Y109 HydrophobicContact CB-CE2 3.9Å; Q105-Y109 HydrophobicContact CG-CD2 4.29Å; Q105-Y109 HydrophobicContact CG-CE2 3.7Å; Q105-Y109 WeakPolarHBondContact O-CB 3.3Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.4Å; Q105-Y109 PolarHBondContact O-N 3.12Å; I106-Y109 PolarHBondContact O-N 3.11Å; Y109-N113 PolarHBondContact O-N 3.47Å |
| 110 | I | 82.5 | Confident | 78.6 | Confident | 77 Ų | 77 | 91.7 Ų | 91.7 | 40% | 0.395 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 177.1 | -69.9 | 163.9 | 0 | 0 | 0 | 110.4 | I106 V107 N113 N116 | I106-I110 HydrophobicContact CG2-CD1 3.62Å; I106-I110 HydrophobicContact CG2-CG1 4.31Å; I106-I110 WeakPolarHBondContact O-CB 3.27Å; I106-I110 WeakPolarHBondContact O-CD1 3.37Å; I106-I110 WeakPolarHBondContact O-CG1 3.35Å; I106-I110 PolarHBondContact O-N 3.43Å; V107-I110 PolarHBondContact O-N 2.89Å; I110-N113 PolarHBondContact O-N 3.5Å; I110-N116 VanDerWaalsContact O-CB 3.32Å; I110-N116 WeakPolarHBondContact O-CB 3.46Å; I110-N116 PolarHBondContact O-ND2 3.04Å |
| 111 | M | 82.4 | Confident | 79.4 | Confident | 124 Ų | 124 | 94.5 Ų | 94.5 | 61% | 0.611 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73 | -31 | -178.8 | -164.1 | -176.2 | -40.9 | 0 | 0 | 113 | V107 H108 N113 | V107-M111 HydrophobicContact CG1-CE 4.1Å; V107-M111 WeakPolarHBondContact O-CB 3.49Å; V107-M111 PolarHBondContact O-N 3.46Å; H108-M111 PolarHBondContact O-N 3.03Å; M111-N113 VanDerWaalsContact C-N 3.31Å |
| 112 | K | 81.3 | Confident | 79.8 | Confident | 160 Ų | 160 | 93.6 Ų | 93.6 | 70% | 0.696 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -77.7 | -15.4 | 177.8 | -176.5 | 166.7 | 175.6 | 159.6 | 0 | 113.3 | H108 E114 | H108-K112 WeakPolarHBondContact O-CB 3.29Å; H108-K112 PolarHBondContact O-N 2.9Å; K112-E114 PolarHBondContact O-N 3.16Å |
| 113 | N | 80.7 | Confident | 79.6 | Confident | 76 Ų | 76 | 95.4 Ų | 95.4 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | trans | -75.8 | 112.5 | 174.1 | -174.3 | -17.1 | 0 | 0 | 0 | 109.8 | Y109 I110 M111 A115 N116 A117 | Y109-N113 PolarHBondContact O-N 3.47Å; I110-N113 PolarHBondContact O-N 3.5Å; M111-N113 VanDerWaalsContact C-N 3.31Å; N113-A115 VanDerWaalsContact C-N 3.26Å; N113-A115 PolarHBondContact O-N 2.95Å; N113-A115 PolarHBondContact OD1-N 3.19Å; N113-N116 HydrophobicContact CB-CB 4.1Å; N113-N116 WeakPolarHBondContact O-CA 3.18Å; N113-N116 WeakPolarHBondContact O-CB 3.34Å; N113-N116 PolarHBondContact O-N 2.91Å; N113-A117 PolarHBondContact O-N 3.28Å | ||
| 114 | E | 79.5 | Confident | 78.9 | Confident | 166 Ų | 166 | 95.8 Ų | 95.8 | 78% | 0.776 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.5 | -36.7 | -176.6 | -170.4 | 174.6 | 175.8 | 0 | 0 | 113.1 | K112 N116 A117 D118 | K112-E114 PolarHBondContact O-N 3.16Å; E114-N116 VanDerWaalsContact C-N 3.32Å; E114-N116 PolarHBondContact O-N 2.9Å; E114-A117 PolarHBondContact O-N 3.26Å; E114-D118 PolarHBondContact O-N 3.48Å |
| 115 | A | 76.8 | Confident | 78.1 | Confident | 62 Ų | 62 | 96.4 Ų | 96.4 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.4 | -31.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N113 I119 | N113-A115 VanDerWaalsContact C-N 3.26Å; N113-A115 PolarHBondContact O-N 2.95Å; N113-A115 PolarHBondContact OD1-N 3.19Å; A115-I119 WeakPolarHBondContact O-CG1 3.23Å |
| 116 | N | 74.1 | Confident | 77 | Confident | 54 Ų | 54 | 98.6 Ų | 98.6 | 29% | 0.289 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -80.4 | -32.3 | 175.5 | -67.7 | -12.7 | 0 | 0 | 0 | 111.5 | I110 N113 E114 D118 I119 L120 | I110-N116 VanDerWaalsContact O-CB 3.32Å; I110-N116 WeakPolarHBondContact O-CB 3.46Å; I110-N116 PolarHBondContact O-ND2 3.04Å; N113-N116 HydrophobicContact CB-CB 4.1Å; N113-N116 WeakPolarHBondContact O-CA 3.18Å; N113-N116 WeakPolarHBondContact O-CB 3.34Å; N113-N116 PolarHBondContact O-N 2.91Å; E114-N116 VanDerWaalsContact C-N 3.32Å; E114-N116 PolarHBondContact O-N 2.9Å; N116-D118 VanDerWaalsContact C-N 3.3Å; N116-D118 PolarHBondContact O-N 3.42Å; N116-I119 PolarHBondContact O-N 3.35Å; N116-L120 VanDerWaalsContact O-CB 3.27Å; N116-L120 WeakPolarHBondContact O-CB 3.03Å; N116-L120 WeakPolarHBondContact O-CD1 3.47Å; N116-L120 WeakPolarHBondContact O-CG 3.32Å; N116-L120 PolarHBondContact O-N 3.44Å |
| 117 | A | 76.3 | Confident | 75.6 | Confident | 41 Ų | 41 | 100.8 Ų | 100.8 | 34% | 0.339 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N113 E114 K121 | N113-A117 PolarHBondContact O-N 3.28Å; E114-A117 PolarHBondContact O-N 3.26Å; A117-K121 WeakPolarHBondContact O-CB 3.45Å; A117-K121 PolarHBondContact O-N 2.87Å |
| 118 | D | 78.6 | Confident | 74.1 | Confident | 114 Ų | 114 | 101.7 Ų | 101.7 | 61% | 0.61 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.5 | -43.7 | 177.1 | -165.3 | 38.6 | 0 | 0 | 0 | 112.1 | E114 N116 K121 A122 | E114-D118 PolarHBondContact O-N 3.48Å; N116-D118 VanDerWaalsContact C-N 3.3Å; N116-D118 PolarHBondContact O-N 3.42Å; D118-K121 PolarHBondContact O-N 3.44Å; D118-A122 WeakPolarHBondContact O-CB 3.05Å; D118-A122 PolarHBondContact O-N 3.2Å |
| 119 | I | 79.8 | Confident | 72.5 | Confident | 94 Ų | 94 | 104.8 Ų | 104.8 | 48% | 0.482 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -43.5 | 175.4 | -62.8 | 168.3 | 0 | 0 | 0 | 111.2 | A115 N116 K121 A122 M123 | A115-I119 WeakPolarHBondContact O-CG1 3.23Å; N116-I119 PolarHBondContact O-N 3.35Å; I119-K121 VanDerWaalsContact C-N 3.3Å; I119-K121 PolarHBondContact O-N 3.3Å; I119-A122 PolarHBondContact O-N 3.33Å; I119-M123 HydrophobicContact CG2-CE 3.84Å; I119-M123 HydrophobicContact CG2-SD 4.35Å; I119-M123 WeakPolarHBondContact O-CG 3.4Å; I119-M123 PolarHBondContact O-N 2.84Å |
| 120 | L | 77.6 | Confident | 70.9 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 44% | 0.435 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -37.8 | 175.9 | -74 | 167.2 | 0 | 0 | 0 | 111.2 | N116 V124 | N116-L120 VanDerWaalsContact O-CB 3.27Å; N116-L120 WeakPolarHBondContact O-CB 3.03Å; N116-L120 WeakPolarHBondContact O-CD1 3.47Å; N116-L120 WeakPolarHBondContact O-CG 3.32Å; N116-L120 PolarHBondContact O-N 3.44Å; L120-V124 VanDerWaalsContact O-CG2 3.24Å; L120-V124 WeakPolarHBondContact O-CG2 3.26Å; L120-V124 PolarHBondContact O-N 2.89Å |
| 121 | K | 73.1 | Confident | 69.2 | Low | 154 Ų | 154 | 106.8 Ų | 106.8 | 67% | 0.67 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.7 | -39.6 | 176.1 | -172.1 | 178.4 | -179.8 | -175 | 0 | 112.1 | A117 D118 I119 V124 A125 | A117-K121 WeakPolarHBondContact O-CB 3.45Å; A117-K121 PolarHBondContact O-N 2.87Å; D118-K121 PolarHBondContact O-N 3.44Å; I119-K121 VanDerWaalsContact C-N 3.3Å; I119-K121 PolarHBondContact O-N 3.3Å; K121-V124 PolarHBondContact O-N 2.9Å; K121-A125 WeakPolarHBondContact O-CB 3.3Å; K121-A125 PolarHBondContact O-N 3.38Å |
| 122 | A | 75.8 | Confident | 67.5 | Low | 46 Ų | 46 | 106.6 Ų | 106.6 | 38% | 0.38 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64 | -44.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D118 I119 V124 A125 D126 | D118-A122 WeakPolarHBondContact O-CB 3.05Å; D118-A122 PolarHBondContact O-N 3.2Å; I119-A122 PolarHBondContact O-N 3.33Å; A122-V124 PolarHBondContact O-N 2.91Å; A122-A125 PolarHBondContact O-N 2.78Å; A122-D126 VanDerWaalsContact O-CG 3.25Å; A122-D126 PolarHBondContact O-N 3.44Å |
| 123 | M | 72 | Confident | 65.4 | Low | 111 Ų | 111 | 108.4 Ų | 108.4 | 55% | 0.547 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.4 | -36 | 175.4 | -72.1 | -177.9 | 178.1 | 0 | 0 | 113.2 | I119 N127 | I119-M123 HydrophobicContact CG2-CE 3.84Å; I119-M123 HydrophobicContact CG2-SD 4.35Å; I119-M123 WeakPolarHBondContact O-CG 3.4Å; I119-M123 PolarHBondContact O-N 2.84Å; M123-N127 PolarHBondContact O-N 3.24Å; M123-N127 PolarHBondContact O-ND2 3.44Å |
| 124 | V | 67.8 | Low | 63.9 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 64% | 0.642 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.2 | -35.4 | 174.5 | 171.8 | 0 | 0 | 0 | 0 | 111 | L120 K121 A122 S128 | L120-V124 VanDerWaalsContact O-CG2 3.24Å; L120-V124 WeakPolarHBondContact O-CG2 3.26Å; L120-V124 PolarHBondContact O-N 2.89Å; K121-V124 PolarHBondContact O-N 2.9Å; A122-V124 PolarHBondContact O-N 2.91Å; V124-S128 PolarHBondContact O-N 3.34Å |
| 125 | A | 66 | Low | 62.7 | Low | 47 Ų | 47 | 106.6 Ų | 106.6 | 39% | 0.388 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K121 A122 N127 S128 M129 | K121-A125 WeakPolarHBondContact O-CB 3.3Å; K121-A125 PolarHBondContact O-N 3.38Å; A122-A125 PolarHBondContact O-N 2.78Å; A125-N127 VanDerWaalsContact C-N 3.26Å; A125-N127 PolarHBondContact O-N 3.38Å; A125-S128 WeakPolarHBondContact CA-OG 3.25Å; A125-S128 WeakPolarHBondContact O-CA 2.91Å; A125-S128 WeakPolarHBondContact O-CB 3.16Å; A125-S128 PolarHBondContact O-N 3.03Å; A125-S128 PolarHBondContact O-OG 3.33Å; A125-M129 PolarHBondContact O-N 2.8Å |
| 126 | D | 58.1 | Low | 60.7 | Low | 122 Ų | 122 | 110.4 Ų | 110.4 | 65% | 0.652 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.3 | -24 | 179 | -70 | -20.7 | 0 | 0 | 0 | 113 | A122 | A122-D126 VanDerWaalsContact O-CG 3.25Å; A122-D126 PolarHBondContact O-N 3.44Å |
| 127 | N | 54.3 | Low | 59.2 | Low | 136 Ų | 136 | 114.5 Ų | 114.5 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -13 | 169.7 | -72.9 | -73.1 | 0 | 0 | 0 | 113.2 | M123 A125 | M123-N127 PolarHBondContact O-N 3.24Å; M123-N127 PolarHBondContact O-ND2 3.44Å; A125-N127 VanDerWaalsContact C-N 3.26Å; A125-N127 PolarHBondContact O-N 3.38Å |
| 128 | S | 54 | Low | 57.7 | Low | 94 Ų | 94 | 117.5 Ų | 117.5 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -90.5 | -4.1 | 177.2 | 74.8 | 0 | 0 | 0 | 0 | 114 | V124 A125 | V124-S128 PolarHBondContact O-N 3.34Å; A125-S128 WeakPolarHBondContact CA-OG 3.25Å; A125-S128 WeakPolarHBondContact O-CA 2.91Å; A125-S128 WeakPolarHBondContact O-CB 3.16Å; A125-S128 PolarHBondContact O-N 3.03Å; A125-S128 PolarHBondContact O-OG 3.33Å |
| 129 | M | 46.8 | Very low | 55.6 | Low | 172 Ų | 172 | 117.4 Ų | 117.4 | 85% | 0.847 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -98.6 | 22.2 | 177.5 | -151.7 | -168.7 | -176.1 | 0 | 0 | 113.6 | A125 | A125-M129 PolarHBondContact O-N 2.8Š|
| 130 | V | 51.9 | Low | 53.5 | Low | 131 Ų | 131 | 119 Ų | 119 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | trans | -120.4 | 74.1 | 166.6 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 131 | D | 46.3 | Very low | 52.1 | Low | 150 Ų | 150 | 120.8 Ų | 120.8 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | trans | -146.8 | 147 | 142.5 | -157.2 | 9.6 | 0 | 0 | 0 | 110.6 | ||||
| 132 | V | 47.7 | Very low | 50 | Low | 120 Ų | 120 | 116.8 Ų | 116.8 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | 87.5 | 75.9 | 174.5 | -160.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 133 | E | 37 | Very low | 47.8 | Very low | 198 Ų | 198 | 120.4 Ų | 120.4 | 93% | 0.925 | 73% | 0.733 | S | S | * | * | trans | -127.4 | 83.8 | 130.8 | -161.9 | -177.6 | 121.5 | 0 | 0 | 109.4 | ||||
| 134 | S | 48.9 | Very low | 46.8 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -110 | 125.7 | 144.4 | -163.5 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 135 | P | 53 | Low | 46.2 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | -160.5 | 136.2 | 83.4 | 36.6 | -15 | 0 | 0 | 0 | 116.1 | |||||
| 136 | V | 35.8 | Very low | 44.7 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -169.4 | 109.2 | 136.6 | -106.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 137 | T | 42.4 | Very low | 43.8 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -101.6 | 140.3 | 140.3 | 34.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 138 | P | 44.1 | Very low | 43.6 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | -152.9 | 157.4 | 98.7 | 37.5 | -18.5 | 0 | 0 | 0 | 117 | |||||
| 139 | S | 35.5 | Very low | 42.5 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | 86.8 | 133 | 152.1 | -42.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 140 | T | 36.1 | Very low | 42.5 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | -169.4 | -164 | -11.6 | -49.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 141 | P | 47 | Very low | 41.4 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | -114.1 | 164.8 | -107.4 | 38.3 | -20.2 | 0 | 0 | 0 | 117 | |||||
| 142 | G | 29.1 | Very low | 41.3 | Very low | 69 Ų | 69 | 120.8 Ų | 120.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 133.3 | 121.4 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 143 | S | 30.7 | Very low | 40.9 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 97 | 124.9 | 148.8 | -42.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 144 | P | 50.7 | Low | 41.2 | Very low | 121 Ų | 121 | 115 Ų | 115 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -103.9 | -167.6 | 160.4 | 40.7 | -29.7 | 0 | 0 | 0 | 110.7 | ||||
| 145 | P | 55.8 | Low | 40.7 | Very low | 115 Ų | 115 | 114.4 Ų | 114.4 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | cis | -122 | 162 | -40.3 | 35.6 | -20.9 | 0 | 0 | 0 | 112.2 | ||||
| 146 | V | 33.4 | Very low | 40.1 | Very low | 152 Ų | 152 | 115.7 Ų | 115.7 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -147.8 | 116.2 | 153.2 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 147 | S | 39.8 | Very low | 40.6 | Very low | 106 Ų | 106 | 115 Ų | 115 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -101.8 | 161.8 | 153.1 | -137.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 148 | P | 49.1 | Very low | 40.9 | Very low | 128 Ų | 128 | 111.6 Ų | 111.6 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | cis | -152.3 | 151.8 | 48.8 | 36.6 | -13.3 | 0 | 0 | 0 | 118.9 | ||||
| 149 | G | 31.3 | Very low | 41.2 | Very low | 63 Ų | 63 | 114.4 Ų | 114.4 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | 114.3 | 164.7 | 133.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 150 | P | 46.2 | Very low | 42.1 | Very low | 117 Ų | 117 | 113.1 Ų | 113.1 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | cis | -139.9 | 171.7 | -47 | 39.2 | -23.2 | 0 | 0 | 0 | 113.3 | ||||
| 151 | L | 30 | Very low | 42.9 | Very low | 155 Ų | 155 | 112.3 Ų | 112.3 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | 81.9 | 90.5 | 159.5 | -48.7 | 173.8 | 0 | 0 | 0 | 118.1 | ||||
| 152 | S | 44.2 | Very low | 43.5 | Very low | 119 Ų | 119 | 108.4 Ų | 108.4 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -61.3 | 142.4 | 137.2 | -89.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 153 | P | 39.3 | Very low | 45 | Very low | 121 Ų | 121 | 108.1 Ų | 108.1 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | -118.1 | 124.1 | 125.3 | 3 | 16.3 | 0 | 0 | 0 | 108.7 | |||||
| 154 | G | 42.7 | Very low | 46.2 | Very low | 75 Ų | 75 | 111.3 Ų | 111.3 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -51 | 141.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 155 | A | 37.4 | Very low | 46.3 | Very low | 90 Ų | 90 | 110 Ų | 110 | 74% | 0.744 | 71% | 0.71 | S | S | * | * | trans | -149.1 | 100.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 156 | T | 41.8 | Very low | 46.3 | Very low | 128 Ų | 128 | 110.2 Ų | 110.2 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -36.9 | 133 | 155 | 49.9 | 0 | 0 | 0 | 0 | 108.5 | G158 | T156-G158 PolarHBondContact O-N 3.48Š| ||
| 157 | P | 46.3 | Very low | 47.5 | Very low | 128 Ų | 128 | 104.9 Ų | 104.9 | 83% | 0.831 | 67% | 0.669 | S | S | * | * | trans | -58.2 | 104.2 | -176.6 | 20.5 | -29 | 0 | 0 | 0 | 108.4 | K159 | P157-K159 VanDerWaalsContact C-N 3.3Å; P157-K159 PolarHBondContact O-N 3.28Å | ||
| 158 | G | 48.6 | Very low | 48.4 | Very low | 68 Ų | 68 | 106.9 Ų | 106.9 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | trans | -67.1 | 93.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | T156 H160 | T156-G158 PolarHBondContact O-N 3.48Å; G158-H160 PolarHBondContact O-N 2.83Å | ||
| 159 | K | 50.3 | Low | 48.5 | Very low | 165 Ų | 165 | 105.8 Ų | 105.8 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | trans | -52.9 | 111.8 | 164.7 | 59.1 | -162.7 | 176.5 | -164.3 | 0 | 107.6 | P157 | P157-K159 VanDerWaalsContact C-N 3.3Å; P157-K159 PolarHBondContact O-N 3.28Å | ||
| 160 | H | 54.3 | Low | 49.7 | Very low | 84 Ų | 84 | 106.8 Ų | 106.8 | 39% | 0.389 | 68% | 0.679 | S | S | . | * | trans | -91 | 139.6 | 169.2 | 77.4 | -81.1 | 0 | 0 | 0 | 108.3 | G158 H167 | G158-H160 PolarHBondContact O-N 2.83Å; H160-H167 AromaticContact CE1-CD2 3.57Å; H160-H167 AromaticContact CE1-CE1 3.26Å; H160-H167 PolarHBondContact CE1-CE1 3.42Å; H160-H167 AromaticContact CE1-ND1 3.85Å; H160-H167 AromaticContact CE1-NE2 3.09Å; H160-H167 PolarHBondContact CE1-NE2 3.45Å; H160-H167 AromaticContact NE2-CE1 2.92Å; H160-H167 PolarHBondContact NE2-CE1 3.38Å; H160-H167 AromaticContact NE2-ND1 3.75Å; H160-H167 AromaticContact NE2-NE2 3.14Å; H160-H167 PolarHBondContact NE2-NE2 3.42Å; H160-H167 VanDerWaalsContact NE2-NE2 3.14Å | ||
| 161 | V | 53.1 | Low | 49.9 | Very low | 109 Ų | 109 | 104.4 Ų | 104.4 | 66% | 0.661 | 68% | 0.675 | S | S | * | * | trans | -102.5 | 96.3 | -178.4 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | G163 | V161-G163 VanDerWaalsContact C-N 3.32Å; V161-G163 PolarHBondContact O-N 3.5Å; V161-G163 VanDerWaalsContact O-N 3.11Å | ||
| 162 | C | 59.9 | Low | 50.7 | Low | 41 Ų | 41 | 104.3 Ų | 104.3 | 28% | 0.277 | 68% | 0.68 | S | S | . | * | B | Isolated β-bridge | trans | -83.9 | 81.6 | 171.2 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | H164 H165 | C162-H164 PolarHBondContact O-N 2.94Å; C162-H165 PolarHBondContact O-N 3.39Å |
| 163 | G | 61 | Low | 51 | Low | 63 Ų | 63 | 104.9 Ų | 104.9 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.4 | -28.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | V161 | V161-G163 VanDerWaalsContact C-N 3.32Å; V161-G163 PolarHBondContact O-N 3.5Å; V161-G163 VanDerWaalsContact O-N 3.11Å |
| 164 | H | 54.5 | Low | 51.6 | Low | 189 Ų | 189 | 107.5 Ų | 107.5 | 88% | 0.875 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.7 | 9.6 | -179.4 | -130.1 | -82.7 | 0 | 0 | 0 | 115.9 | C162 | C162-H164 PolarHBondContact O-N 2.94Š|
| 165 | H | 54.2 | Low | 52.1 | Low | 93 Ų | 93 | 114.7 Ų | 114.7 | 43% | 0.431 | 68% | 0.684 | S | S | . | * | B | Isolated β-bridge | trans | -154.7 | 151.1 | 172.1 | 112.5 | -76.5 | 0 | 0 | 0 | 114.2 | C162 H167 | C162-H165 PolarHBondContact O-N 3.39Å; H165-H167 AromaticContact CE1-CE1 3.99Å; H165-H167 AromaticContact CE1-CG 3.81Å; H165-H167 AromaticContact CE1-ND1 3.14Å; H165-H167 PolarHBondContact CE1-ND1 2.86Å; H165-H167 AromaticContact ND1-ND1 3.83Å; H165-H167 AromaticContact NE2-CG 3.93Å; H165-H167 AromaticContact NE2-ND1 3.68Å |
| 166 | L | 54 | Low | 52.8 | Low | 120 Ų | 120 | 117.7 Ų | 117.7 | 63% | 0.628 | 69% | 0.688 | S | S | * | * | trans | -92.8 | 131.7 | 174.5 | -110.5 | 75 | 0 | 0 | 0 | 110.7 | ||||
| 167 | H | 60.6 | Low | 53.4 | Low | 40 Ų | 40 | 116.1 Ų | 116.1 | 19% | 0.185 | 68% | 0.678 | C | S | . | * | trans | -138.3 | 152.5 | 167.2 | 58.5 | -84.1 | 0 | 0 | 0 | 113.2 | H160 H165 | H160-H167 AromaticContact CE1-CD2 3.57Å; H160-H167 AromaticContact CE1-CE1 3.26Å; H160-H167 PolarHBondContact CE1-CE1 3.42Å; H160-H167 AromaticContact CE1-ND1 3.85Å; H160-H167 AromaticContact CE1-NE2 3.09Å; H160-H167 PolarHBondContact CE1-NE2 3.45Å; H160-H167 AromaticContact NE2-CE1 2.92Å; H160-H167 PolarHBondContact NE2-CE1 3.38Å; H160-H167 AromaticContact NE2-ND1 3.75Å; H160-H167 AromaticContact NE2-NE2 3.14Å; H160-H167 PolarHBondContact NE2-NE2 3.42Å; H160-H167 VanDerWaalsContact NE2-NE2 3.14Å; H165-H167 AromaticContact CE1-CE1 3.99Å; H165-H167 AromaticContact CE1-CG 3.81Å; H165-H167 AromaticContact CE1-ND1 3.14Å; H165-H167 PolarHBondContact CE1-ND1 2.86Å; H165-H167 AromaticContact ND1-ND1 3.83Å; H165-H167 AromaticContact NE2-CG 3.93Å; H165-H167 AromaticContact NE2-ND1 3.68Å | ||
| 168 | T | 57 | Low | 54.2 | Low | 149 Ų | 149 | 111.6 Ų | 111.6 | 91% | 0.914 | 65% | 0.649 | S | S | * | * | trans | -99.8 | 84.5 | 178.3 | -40.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 169 | V | 51.6 | Low | 54.8 | Low | 105 Ų | 105 | 114.7 Ų | 114.7 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | trans | -124.4 | 104.7 | 167.7 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | G171 | V169-G171 PolarHBondContact O-N 2.84Š| ||
| 170 | G | 56.8 | Low | 55 | Low | 84 Ų | 84 | 116.9 Ų | 116.9 | 87% | 0.866 | 65% | 0.649 | S | S | * | * | trans | -72.5 | 116 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 171 | G | 49.4 | Very low | 55.2 | Low | 66 Ų | 66 | 114.7 Ų | 114.7 | 68% | 0.68 | 64% | 0.643 | S | S | * | * | trans | -176.8 | 126.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V169 V173 | V169-G171 PolarHBondContact O-N 2.84Å; G171-V173 PolarHBondContact O-N 3.37Å | ||
| 172 | V | 48.7 | Very low | 55.3 | Low | 153 Ų | 153 | 117 Ų | 117 | 93% | 0.927 | 64% | 0.639 | S | S | * | * | trans | -75.4 | 86.4 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 173 | V | 48.5 | Very low | 55 | Low | 131 Ų | 131 | 120.7 Ų | 120.7 | 79% | 0.794 | 65% | 0.652 | S | S | * | * | trans | -147.1 | 125.4 | 158.9 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | G171 | G171-V173 PolarHBondContact O-N 3.37Š| ||
| 174 | E | 52.3 | Low | 54.7 | Low | 177 Ų | 177 | 126.1 Ų | 126.1 | 83% | 0.827 | 66% | 0.658 | S | S | * | * | trans | 10.8 | 126.5 | 163.7 | -147.9 | 159 | 178.1 | 0 | 0 | 119.1 | D176 | E174-D176 PolarHBondContact O-N 3.22Š| ||
| 175 | R | 54.1 | Low | 54.5 | Low | 226 Ų | 226 | 126.2 Ų | 126.2 | 85% | 0.853 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 131.3 | 179.8 | -51.1 | -177.1 | -169 | -176.2 | 4 | 108.3 | ||
| 176 | D | 52 | Low | 54.5 | Low | 153 Ų | 153 | 131.4 Ų | 131.4 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112 | 2.4 | 160.2 | -53.6 | -25.5 | 0 | 0 | 0 | 119.1 | E174 | E174-D176 PolarHBondContact O-N 3.22Š|
| 177 | V | 53.9 | Low | 54.5 | Low | 95 Ų | 95 | 133.5 Ų | 133.5 | 58% | 0.576 | 67% | 0.673 | S | S | * | * | trans | -137.7 | 78 | 178.1 | -144.3 | 0 | 0 | 0 | 0 | 114.1 | Q179 | V177-Q179 PolarHBondContact O-N 3.17Š| ||
| 178 | C | 63.2 | Low | 54.1 | Low | 32 Ų | 32 | 140.9 Ų | 140.9 | 22% | 0.216 | 71% | 0.705 | C | S | . | * | trans | -67.3 | 105.9 | 163.3 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | R180 C181 R182 | C178-R180 PolarHBondContact O-N 3.29Å; C178-R180 VanDerWaalsContact O-N 3.12Å; C178-C181 HydrophobicContact CB-CB 3.96Å; C178-C181 PolarHBondContact O-N 2.94Å; C178-R182 PolarHBondContact O-N 3.34Å | ||
| 179 | Q | 61.5 | Low | 54 | Low | 134 Ų | 134 | 139.6 Ų | 139.6 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -52.8 | -35.1 | 178.8 | -143.5 | 112.3 | 5.1 | 0 | 0 | 111.9 | V177 H183 | V177-Q179 PolarHBondContact O-N 3.17Å; Q179-H183 PolarHBondContact O-CD2 3.47Å; Q179-H183 PolarHBondContact O-N 3.15Å |
| 180 | R | 54.1 | Low | 53.8 | Low | 211 Ų | 211 | 144.3 Ų | 144.3 | 80% | 0.796 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -75.7 | -28.3 | -178.3 | -150.8 | 155.2 | -175.8 | 88.7 | -2.7 | 113.2 | C178 | C178-R180 PolarHBondContact O-N 3.29Å; C178-R180 VanDerWaalsContact O-N 3.12Å |
| 181 | C | 58.6 | Low | 53.1 | Low | 38 Ų | 38 | 145.6 Ų | 145.6 | 26% | 0.257 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -79.6 | -38.3 | 173.1 | -67.4 | 0 | 0 | 0 | 0 | 112 | C178 H183 K184 | C178-C181 HydrophobicContact CB-CB 3.96Å; C178-C181 PolarHBondContact O-N 2.94Å; C181-H183 VanDerWaalsContact C-N 3.26Å; C181-H183 PolarHBondContact O-N 2.95Å; C181-K184 PolarHBondContact O-N 3.34Å |
| 182 | R | 55.1 | Low | 52.9 | Low | 156 Ų | 156 | 148 Ų | 148 | 59% | 0.589 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -59.7 | -35.4 | 179.3 | -177.2 | 177.1 | 163.8 | -162.6 | -4.4 | 112.5 | C178 | C178-R182 PolarHBondContact O-N 3.34Å |
| 183 | H | 54.9 | Low | 52.5 | Low | 120 Ų | 120 | 147.7 Ų | 147.7 | 56% | 0.556 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -79.3 | -30.8 | -175 | -71.9 | -149.8 | 0 | 0 | 0 | 113.6 | Q179 C181 | Q179-H183 PolarHBondContact O-CD2 3.47Å; Q179-H183 PolarHBondContact O-N 3.15Å; C181-H183 VanDerWaalsContact C-N 3.26Å; C181-H183 PolarHBondContact O-N 2.95Å |
| 184 | K | 53.1 | Low | 52.5 | Low | 177 Ų | 177 | 151.2 Ų | 151.2 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -77.3 | -21.9 | 179.5 | -81.7 | 175.9 | -179.8 | -84 | 0 | 113.9 | C181 | C181-K184 PolarHBondContact O-N 3.34Å |
| 185 | R | 51.6 | Low | 51.9 | Low | 191 Ų | 191 | 149.5 Ų | 149.5 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -13.1 | 179.3 | -160.4 | -168.4 | -70.9 | -175.6 | -2.4 | 113.7 | H187 | R185-H187 PolarHBondContact O-N 2.95Š|
| 186 | W | 54.3 | Low | 51.4 | Low | 201 Ų | 201 | 148 Ų | 148 | 76% | 0.761 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -81.7 | -7.9 | -171.7 | -165 | -87.2 | 0 | 0 | 0 | 114.9 | F188 | W186-F188 PolarHBondContact O-N 3.19Š|
| 187 | H | 54 | Low | 50.9 | Low | 164 Ų | 164 | 148 Ų | 148 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -82.9 | -2.7 | -177.9 | -75.7 | -78 | 0 | 0 | 0 | 115.6 | R185 | R185-H187 PolarHBondContact O-N 2.95Š|
| 188 | F | 52.2 | Low | 50 | Low | 195 Ų | 195 | 148.6 Ų | 148.6 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -116.6 | 4.5 | -175.5 | -79.7 | -77.5 | 0 | 0 | 0 | 116.2 | W186 | W186-F188 PolarHBondContact O-N 3.19Š|
| 189 | I | 53.4 | Low | 49.1 | Very low | 122 Ų | 122 | 158.2 Ų | 158.2 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | trans | -130.9 | 90.6 | 177.7 | -52.5 | 161.4 | 0 | 0 | 0 | 108.7 | ||||
| 190 | K | 48.3 | Very low | 48.9 | Very low | 205 Ų | 205 | 157.4 Ų | 157.4 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | trans | -98.3 | 114.3 | 162.2 | -111.7 | 171.2 | 172.2 | 174 | 0 | 107.7 | ||||
| 191 | P | 40.9 | Very low | 48.5 | Very low | 110 Ų | 110 | 156.9 Ų | 156.9 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | trans | -70.9 | 134 | 156.3 | -5.5 | 22.4 | 0 | 0 | 0 | 108.4 | ||||
| 192 | T | 46.5 | Very low | 48 | Very low | 116 Ų | 116 | 167 Ų | 167 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | trans | -49.8 | 135.4 | 160.2 | 171 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 193 | N | 40.7 | Very low | 47.7 | Very low | 148 Ų | 148 | 167 Ų | 167 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | 165.2 | 130.2 | 128 | -72.6 | -22.5 | 0 | 0 | 0 | 110.5 | |||||
| 194 | K | 47.4 | Very low | 47.7 | Very low | 204 Ų | 204 | 165.1 Ų | 165.1 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -91.3 | 143.3 | -178 | -52.8 | -176.6 | -179.7 | 178.4 | 0 | 110.4 | ||||
| 195 | T | 40.2 | Very low | 47.3 | Very low | 142 Ų | 142 | 165.2 Ų | 165.2 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | trans | -153.3 | 107.7 | 143.8 | 44 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 196 | K | 44 | Very low | 47.1 | Very low | 194 Ų | 194 | 162.4 Ų | 162.4 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | 54.1 | 114.5 | 129 | -156.1 | 166.2 | -176 | -172.8 | 0 | 121.9 | |||||
| 197 | E | 40.6 | Very low | 47 | Very low | 154 Ų | 154 | 158 Ų | 158 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | 72.3 | 116.1 | 133.4 | -154.5 | 74.1 | -133.2 | 0 | 0 | 121.8 | ||||
| 198 | S | 36.1 | Very low | 46.8 | Very low | 107 Ų | 107 | 154.2 Ų | 154.2 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 175.7 | 117.7 | 111.2 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 199 | R | 43.6 | Very low | 46.6 | Very low | 233 Ų | 233 | 152.3 Ų | 152.3 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | 49.8 | 146.7 | 149.3 | -74.7 | -170.2 | 180 | 165.1 | 1.3 | 123.5 | ||||
| 200 | P | 57.6 | Low | 46.6 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -87.8 | 164.3 | 179.6 | 37.7 | -34.4 | 0 | 0 | 0 | 113.1 | ||||
| 201 | R | 46.3 | Very low | 47 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 90.9 | 99.8 | 161.4 | -160.8 | 178.8 | -172.2 | -118.9 | -3.1 | 117.1 | ||||
| 202 | R | 47.4 | Very low | 47.4 | Very low | 252 Ų | 252 | 145.6 Ų | 145.6 | 95% | 0.951 | 78% | 0.775 | S | S | * | * | -137.3 | 113.2 | 126.6 | -70.1 | -165.7 | 179.8 | -105.4 | -2 | 109.5 | |||||
| 203 | Q | 48.1 | Very low | 48.1 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 144.4 | 166.4 | -69.8 | 164.1 | -59.3 | 0 | 0 | 108.8 | ||||
| 204 | G | 55.5 | Low | 48.5 | Very low | 81 Ų | 81 | 153.7 Ų | 153.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 107.3 | 69.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 205 | E | 45.2 | Very low | 49 | Very low | 179 Ų | 179 | 154 Ų | 154 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -142.2 | 112.3 | 148.2 | -166.2 | 169.4 | 170.4 | 0 | 0 | 109.3 | T207 | E205-T207 PolarHBondContact O-N 2.85Š| ||
| 206 | V | 47.1 | Very low | 49.5 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -81.5 | 101.6 | 174.6 | 175.5 | 0 | 0 | 0 | 0 | 106.2 | V208 | V206-V208 PolarHBondContact O-N 2.69Š| ||
| 207 | T | 52 | Low | 50.3 | Low | 110 Ų | 110 | 149 Ų | 149 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | -70.2 | 102.6 | 174.2 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | E205 L209 | E205-T207 PolarHBondContact O-N 2.85Å; T207-L209 PolarHBondContact O-N 2.72Å | ||
| 208 | V | 49 | Very low | 50.8 | Low | 84 Ų | 84 | 151.2 Ų | 151.2 | 51% | 0.509 | 78% | 0.775 | S | S | . | * | trans | -57.1 | 100.7 | 167.5 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | V206 S210 | V206-V208 PolarHBondContact O-N 2.69Å; V208-S210 VanDerWaalsContact C-N 3.26Å; V208-S210 PolarHBondContact O-N 3.04Å; V208-S210 PolarHBondContact O-OG 3.23Å | ||
| 209 | L | 48.3 | Very low | 51.3 | Low | 155 Ų | 155 | 151.8 Ų | 151.8 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -64.7 | 97.2 | 164.7 | -71.5 | 172.8 | 0 | 0 | 0 | 106.3 | T207 V211 | T207-L209 PolarHBondContact O-N 2.72Å; L209-V211 PolarHBondContact O-N 3.48Å | ||
| 210 | S | 53.1 | Low | 51.1 | Low | 109 Ų | 109 | 149.1 Ų | 149.1 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -72.9 | 77.4 | 179.7 | -60.6 | 0 | 0 | 0 | 0 | 108.9 | V208 | V208-S210 VanDerWaalsContact C-N 3.26Å; V208-S210 PolarHBondContact O-N 3.04Å; V208-S210 PolarHBondContact O-OG 3.23Å | ||
| 211 | V | 57.8 | Low | 50.4 | Low | 121 Ų | 121 | 152 Ų | 152 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -83.8 | 128.7 | 158.2 | -165 | 0 | 0 | 0 | 0 | 105.5 | L209 R213 | L209-V211 PolarHBondContact O-N 3.48Å; V211-R213 PolarHBondContact O-N 2.89Å | ||
| 212 | G | 48.2 | Very low | 50.5 | Low | 65 Ų | 65 | 151.1 Ų | 151.1 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -37.5 | 130.4 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | F214 | G212-F214 PolarHBondContact O-N 3.47Š|
| 213 | R | 61.1 | Low | 50.4 | Low | 264 Ų | 264 | 144.1 Ų | 144.1 | 100% | 0.996 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.3 | -4.9 | 159.4 | -47.8 | -174.1 | -174 | -177 | 2 | 119.4 | V211 | V211-R213 PolarHBondContact O-N 2.89Š|
| 214 | F | 49.3 | Very low | 50.3 | Low | 170 Ų | 170 | 144 Ų | 144 | 75% | 0.746 | 77% | 0.769 | S | S | * | * | trans | -113.6 | 104.9 | 179.1 | -160 | -110 | 0 | 0 | 0 | 111.2 | G212 V216 | G212-F214 PolarHBondContact O-N 3.47Å; F214-V216 HydrophobicContact CD1-CG2 3.52Å; F214-V216 HydrophobicContact CE1-CG2 3.23Å; F214-V216 HydrophobicContact CZ-CG2 4.25Å | ||
| 215 | R | 57.9 | Low | 49.9 | Very low | 210 Ų | 210 | 148.9 Ų | 148.9 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -94.7 | 103.9 | 176.2 | -71.4 | -176.6 | 162.7 | -153.3 | -4.5 | 109.4 | ||||
| 216 | V | 51.5 | Low | 49.8 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | trans | -91 | 103.2 | 166.3 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | F214 K218 | F214-V216 HydrophobicContact CD1-CG2 3.52Å; F214-V216 HydrophobicContact CE1-CG2 3.23Å; F214-V216 HydrophobicContact CZ-CG2 4.25Å; V216-K218 PolarHBondContact O-N 2.94Å | ||
| 217 | T | 59.8 | Low | 49.7 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 106.9 | 168.1 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | V219 | T217-V219 PolarHBondContact O-N 3.23Š| ||
| 218 | K | 52.1 | Low | 49.5 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | -75.4 | 108.4 | 166.4 | -159.2 | -179.2 | -175 | 173.8 | 0 | 107.4 | V216 E220 | V216-K218 PolarHBondContact O-N 2.94Å; K218-E220 PolarHBondContact O-N 3.29Å | ||
| 219 | V | 46.2 | Very low | 49.3 | Very low | 118 Ų | 118 | 161.1 Ų | 161.1 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | -64.9 | 119.1 | 168.3 | 175.4 | 0 | 0 | 0 | 0 | 107.1 | T217 H221 | T217-V219 PolarHBondContact O-N 3.23Å; V219-H221 PolarHBondContact O-N 2.87Å; V219-H221 VanDerWaalsContact O-N 3.14Å | ||
| 220 | E | 40 | Very low | 48.9 | Very low | 178 Ų | 178 | 159.2 Ų | 159.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -62.4 | 110.9 | 170.8 | -173.8 | -171.9 | 177.5 | 0 | 0 | 108.2 | K218 K222 | K218-E220 PolarHBondContact O-N 3.29Å; E220-K222 VanDerWaalsContact C-N 3.32Å; E220-K222 PolarHBondContact O-N 3.36Å | ||
| 221 | H | 42 | Very low | 48.3 | Very low | 176 Ų | 176 | 161 Ų | 161 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | -73.9 | 95.4 | 168.3 | -123.9 | -85 | 0 | 0 | 0 | 107.8 | V219 S223 | V219-H221 PolarHBondContact O-N 2.87Å; V219-H221 VanDerWaalsContact O-N 3.14Å; H221-S223 PolarHBondContact O-N 3.14Å; H221-S223 VanDerWaalsContact O-N 3.14Å | ||
| 222 | K | 49.4 | Very low | 47.3 | Very low | 183 Ų | 183 | 163.2 Ų | 163.2 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -50.4 | 110.7 | 162 | -175.7 | 172.4 | -179 | 172.1 | 0 | 109.1 | E220 | E220-K222 VanDerWaalsContact C-N 3.32Å; E220-K222 PolarHBondContact O-N 3.36Å | ||
| 223 | S | 44.2 | Very low | 46.8 | Very low | 105 Ų | 105 | 165.1 Ų | 165.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -129.4 | 77.2 | 161.4 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | H221 Q225 | H221-S223 PolarHBondContact O-N 3.14Å; H221-S223 VanDerWaalsContact O-N 3.14Å; S223-Q225 VanDerWaalsContact C-N 3.3Å; S223-Q225 PolarHBondContact O-N 3.14Å; S223-Q225 VanDerWaalsContact O-N 3.11Å | ||
| 224 | N | 46.3 | Very low | 45.8 | Very low | 152 Ų | 152 | 158.6 Ų | 158.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -66.6 | 93.1 | 150.2 | -169.8 | -75.3 | 0 | 0 | 0 | 107.3 | ||||
| 225 | Q | 47.3 | Very low | 45.2 | Very low | 184 Ų | 184 | 155.3 Ų | 155.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -168.2 | 137.2 | 157.8 | -129.2 | 177.6 | 6.2 | 0 | 0 | 110.6 | S223 | S223-Q225 VanDerWaalsContact C-N 3.3Å; S223-Q225 PolarHBondContact O-N 3.14Å; S223-Q225 VanDerWaalsContact O-N 3.11Å | ||
| 226 | K | 42.6 | Very low | 44.3 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 104.4 | 40.3 | 164.5 | -140.8 | 169.2 | -174.7 | -178.5 | 0 | 117.4 | R228 | K226-R228 PolarHBondContact O-N 2.98Š| ||
| 227 | E | 45.8 | Very low | 43.6 | Very low | 202 Ų | 202 | 150.4 Ų | 150.4 | 94% | 0.944 | 78% | 0.781 | S | S | * | * | trans | -76.4 | 80.4 | 131.4 | -170.1 | -178.3 | -171.3 | 0 | 0 | 107.9 | ||||
| 228 | R | 46.8 | Very low | 42.5 | Very low | 208 Ų | 208 | 152.9 Ų | 152.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -169 | 123.6 | 158 | -150.6 | 171.6 | -177.9 | -101.9 | -0.1 | 109.6 | K226 | K226-R228 PolarHBondContact O-N 2.98Š| ||
| 229 | R | 45.1 | Very low | 41.8 | Very low | 194 Ų | 194 | 149 Ų | 149 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 78.1 | 109.1 | 170.5 | 92 | -147.4 | 179.6 | -176.4 | 1.5 | 114.6 | ||||
| 230 | S | 40.6 | Very low | 41.4 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | cis | 33.7 | 83.3 | 24.8 | -161.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 231 | L | 41.3 | Very low | 41 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 173.4 | 137.4 | 133.2 | -87.2 | 179.3 | 0 | 0 | 0 | 107.9 | ||||
| 232 | M | 36.5 | Very low | 40.7 | Very low | 167 Ų | 167 | 143 Ų | 143 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | trans | 85.5 | 93.9 | 169.3 | -55.9 | 177.2 | 175.4 | 0 | 0 | 114.8 | ||||
| 233 | S | 37.2 | Very low | 40.1 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | 73.7 | 127.6 | 81.6 | 69.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 234 | V | 39.9 | Very low | 40.3 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | cis | -162.4 | 150.5 | 49.7 | 163.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 235 | S | 37.3 | Very low | 40.2 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -38.7 | 140.9 | 169 | 49.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 236 | G | 39 | Very low | 39.9 | Very low | 69 Ų | 69 | 138.7 Ų | 138.7 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -77.6 | 143 | 150.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 237 | I | 36.6 | Very low | 40.1 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | -165.6 | 128.1 | 138.2 | 44.2 | 165.3 | 0 | 0 | 0 | 109.4 | ||||
| 238 | E | 35.7 | Very low | 39.9 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | 66.8 | 113.7 | 130.1 | -153.5 | 165.2 | -173.7 | 0 | 0 | 120.1 | ||||
| 239 | S | 37.4 | Very low | 39.4 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | -170 | 129.9 | 125.9 | -82.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 240 | V | 37.9 | Very low | 38.9 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | -60.6 | 133.8 | 165.1 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 241 | N | 32.9 | Very low | 38.8 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 171 | 145.7 | 132.2 | -97.1 | -47.9 | 0 | 0 | 0 | 110.8 | ||||
| 242 | G | 35.7 | Very low | 38.7 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -64.8 | 157.5 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 243 | D | 36.9 | Very low | 38.9 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | -160.2 | 150.3 | 123.4 | -113.2 | -32.5 | 0 | 0 | 0 | 111.4 | |||||
| 244 | V | 47.8 | Very low | 39.2 | Very low | 112 Ų | 112 | 139 Ų | 139 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | trans | -31.8 | 140.6 | -178.8 | 178.9 | 0 | 0 | 0 | 0 | 116.8 | V246 | V244-V246 PolarHBondContact O-N 3.11Š| ||
| 245 | P | 43.4 | Very low | 39.3 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -80.6 | 114.3 | 169.9 | 31.5 | -29.5 | 0 | 0 | 0 | 111.2 | T247 | P245-T247 PolarHBondContact O-N 3.33Š| ||
| 246 | V | 40.5 | Very low | 39.7 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -77.9 | 110 | 167.9 | 169.3 | 0 | 0 | 0 | 0 | 109.2 | V244 | V244-V246 PolarHBondContact O-N 3.11Š| ||
| 247 | T | 46.9 | Very low | 39.5 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | -81.1 | 151.9 | 166.7 | 46 | 0 | 0 | 0 | 0 | 111.6 | P245 | P245-T247 PolarHBondContact O-N 3.33Š| ||
| 248 | P | 41.7 | Very low | 39.6 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -77.2 | 150.4 | -174.1 | 32.2 | -33.7 | 0 | 0 | 0 | 113.2 | ||||
| 249 | V | 37.9 | Very low | 39.9 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -40 | 134.4 | 175 | 171 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 250 | K | 34.3 | Very low | 40 | Very low | 188 Ų | 188 | 151.2 Ų | 151.2 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | 167.7 | 115.3 | 124.1 | -173.2 | 176.4 | -173.9 | -175.2 | 0 | 113 | |||||
| 251 | R | 38.6 | Very low | 40.1 | Very low | 226 Ų | 226 | 152.8 Ų | 152.8 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | 174.5 | 110 | 139.9 | -100.2 | 177.5 | -177.8 | 112.7 | -3.2 | 108 | ||||
| 252 | E | 37.6 | Very low | 40.6 | Very low | 174 Ų | 174 | 152.8 Ų | 152.8 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | 85.2 | 115.3 | 88 | -159.3 | 171.2 | 160 | 0 | 0 | 110.9 | |||||
| 253 | R | 41.6 | Very low | 40.9 | Very low | 231 Ų | 231 | 158.5 Ų | 158.5 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | trans | -100.1 | 120.2 | -170.8 | 177.9 | -176.9 | -173.2 | 163.4 | 3.1 | 107.9 | ||||
| 254 | S | 42.7 | Very low | 41.2 | Very low | 95 Ų | 95 | 157.9 Ų | 157.9 | 66% | 0.664 | 82% | 0.824 | S | S | * | * | trans | -159.8 | 93.5 | 163.4 | -54.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 255 | D | 42.1 | Very low | 40.7 | Very low | 135 Ų | 135 | 161.5 Ų | 161.5 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | 81.9 | 143.9 | 92.9 | -77.4 | -28.2 | 0 | 0 | 0 | 113.4 | |||||
| 256 | T | 46.8 | Very low | 40.4 | Very low | 142 Ų | 142 | 165.3 Ų | 165.3 | 87% | 0.871 | 84% | 0.842 | S | S | * | * | trans | 81.2 | 124.1 | -179.6 | 62.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 257 | E | 34.4 | Very low | 40.4 | Very low | 264 Ų | 264 | 167.5 Ų | 167.5 | 100% | 1.234 | 84% | 0.842 | S | S | * | * | cis | -154.7 | 0 | 5 | -178.4 | 178.1 | 107.5 | 0 | 0 | 107.2 |
Retrieved 257 of 257 residues in 31.7 ms
(Link to these results)