| 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 | 33.8 | Very low | 34.3 | Very low | 241 Ų | 241 | 150.3 Ų | 150.3 | 100% | 1.187 | 84% | 0.838 | S | S | * | * | 0 | 93.5 | 0 | -80.8 | -173.8 | 171.2 | 0 | 0 | 107.9 | |||||
| 2 | L | 36.1 | Very low | 34.3 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -118.9 | 101.8 | 170.5 | -78.7 | 165.1 | 0 | 0 | 0 | 106.1 | L4 | L2-L4 PolarHBondContact O-N 2.73Š| ||
| 3 | L | 37.3 | Very low | 34.3 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 93% | 0.927 | 83% | 0.827 | S | S | * | * | trans | -66.3 | 103.4 | 168.3 | -78.5 | 147.7 | 0 | 0 | 0 | 106.8 | ||||
| 4 | L | 39.6 | Very low | 34.6 | Very low | 134 Ų | 134 | 143 Ų | 143 | 70% | 0.702 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 130.1 | 161.3 | -85.8 | 159.3 | 0 | 0 | 0 | 107.6 | L2 G6 | L2-L4 PolarHBondContact O-N 2.73Å; L4-G6 PolarHBondContact O-N 2.98Å |
| 5 | P | 39.1 | Very low | 34.5 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 132.4 | -173 | 28 | -31.3 | 0 | 0 | 0 | 110.1 | R7 | P5-R7 PolarHBondContact O-N 3.12Š|
| 6 | G | 31.9 | Very low | 34.6 | Very low | 82 Ų | 82 | 145.7 Ų | 145.7 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 119.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L4 | L4-G6 PolarHBondContact O-N 2.98Š|
| 7 | R | 34.9 | Very low | 34.5 | Very low | 234 Ų | 234 | 143.5 Ų | 143.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 142.7 | 161.3 | -88.9 | -175.3 | 169.2 | -175.4 | -1.2 | 109.3 | P5 | P5-R7 PolarHBondContact O-N 3.12Š|
| 8 | P | 32.4 | Very low | 34.6 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73 | 139.7 | -177.2 | 8.2 | 6.3 | 0 | 0 | 0 | 110.4 | L10 | P8-L10 PolarHBondContact O-N 3.22Š|
| 9 | V | 31.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -61.2 | 99.5 | 170.6 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 10 | L | 31.6 | Very low | 34.6 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -86.3 | 111.6 | 164 | -83.5 | 161.3 | 0 | 0 | 0 | 108 | P8 | P8-L10 PolarHBondContact O-N 3.22Š| ||
| 11 | S | 29.3 | Very low | 34.5 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | -48.4 | 130.8 | 169 | -59.9 | 0 | 0 | 0 | 0 | 110.6 | A13 | S11-A13 PolarHBondContact O-N 3.26Š| ||
| 12 | P | 34.5 | Very low | 34.3 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -73.2 | 101.5 | 174.4 | 28.2 | -28.5 | 0 | 0 | 0 | 108.3 | L14 | P12-L14 PolarHBondContact O-N 3.49Š| ||
| 13 | A | 34.4 | Very low | 34.3 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -63.6 | 115 | 160 | 0 | 0 | 0 | 0 | 0 | 107.3 | S11 Q15 | S11-A13 PolarHBondContact O-N 3.26Å; A13-Q15 VanDerWaalsContact C-N 3.35Å; A13-Q15 PolarHBondContact O-N 2.89Å | ||
| 14 | L | 37.9 | Very low | 34.1 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | -61.7 | 95.6 | 171.9 | -73.2 | 166.6 | 0 | 0 | 0 | 109 | P12 | P12-L14 PolarHBondContact O-N 3.49Š| ||
| 15 | Q | 33.3 | Very low | 34 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -88.1 | 96.3 | 159.2 | -75.1 | -178.2 | -10.2 | 0 | 0 | 107.5 | A13 S17 | A13-Q15 VanDerWaalsContact C-N 3.35Å; A13-Q15 PolarHBondContact O-N 2.89Å; Q15-S17 PolarHBondContact O-N 3.26Å | ||
| 16 | Y | 36.9 | Very low | 34 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 57% | 0.565 | 79% | 0.789 | S | S | * | * | trans | -78.6 | 103.8 | 158 | -97.5 | -95.1 | 0 | 0 | 0 | 107.2 | S18 T291 | Y16-S18 PolarHBondContact O-N 3.18Å; Y16-T291 PolarHBondContact OH-O 3.08Å | ||
| 17 | S | 32.1 | Very low | 34.3 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -75.6 | 111.4 | 163.4 | -178.6 | 0 | 0 | 0 | 0 | 108 | Q15 | Q15-S17 PolarHBondContact O-N 3.26Š| ||
| 18 | S | 35.8 | Very low | 34.8 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -99.5 | 112.2 | 162.1 | -54.6 | 0 | 0 | 0 | 0 | 106.8 | Y16 | Y16-S18 PolarHBondContact O-N 3.18Š| ||
| 19 | S | 34.2 | Very low | 35.5 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 138.6 | 173.5 | -58 | 0 | 0 | 0 | 0 | 112 | ||
| 20 | P | 35 | Very low | 35.6 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 130.9 | 164.6 | 32.6 | -26.7 | 0 | 0 | 0 | 109.7 | ||
| 21 | S | 34 | Very low | 36.3 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 141.9 | 165.6 | -69.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 22 | P | 29.6 | Very low | 36.9 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 134.7 | -175.2 | 33.8 | -30.9 | 0 | 0 | 0 | 109.8 | ||
| 23 | S | 35.5 | Very low | 37.4 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -158.9 | 105.9 | 159.9 | -84.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 24 | R | 33 | Very low | 38 | Very low | 238 Ų | 238 | 139.1 Ų | 139.1 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | 75 | 75.6 | 147.2 | -52.8 | -174.5 | -168.7 | -120.1 | 2.9 | 117.9 | ||||
| 25 | L | 36.9 | Very low | 38 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -84.6 | 115.6 | 142.7 | -75.6 | 165.6 | 0 | 0 | 0 | 107.9 | ||||
| 26 | R | 39.5 | Very low | 38.6 | Very low | 235 Ų | 235 | 135.8 Ų | 135.8 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 136.4 | 169.9 | -158.5 | 176.1 | -172.6 | -171.1 | 1.3 | 107.9 | ||
| 27 | P | 38.2 | Very low | 39 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76 | 142.7 | -174.5 | -0.2 | 16.8 | 0 | 0 | 0 | 111.3 | ||
| 28 | L | 45.8 | Very low | 39.2 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 133.5 | 166.2 | -70.5 | 163.5 | 0 | 0 | 0 | 109.6 | ||
| 29 | P | 46.5 | Very low | 39.5 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 128.5 | 162.1 | 19.4 | -5.8 | 0 | 0 | 0 | 110.3 | ||
| 30 | C | 34.6 | Very low | 39.6 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 86% | 0.858 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 130.7 | 161.6 | -63.6 | 0 | 0 | 0 | 0 | 109.2 | ||
| 31 | T | 46.3 | Very low | 40 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -138.4 | 117.8 | 155.2 | 45.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 32 | S | 41.6 | Very low | 40.1 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -75.2 | 146.4 | 162.4 | 60.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 33 | N | 44 | Very low | 40.6 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -179.4 | 105.9 | 143.3 | -89.2 | -12.1 | 0 | 0 | 0 | 106.2 | ||||
| 34 | A | 47.6 | Very low | 40.9 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | 97.1 | 132 | 86 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 35 | P | 37.7 | Very low | 41.2 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -91.4 | 141.1 | -167 | 35.5 | -30.6 | 0 | 0 | 0 | 111 | ||||
| 36 | T | 46.7 | Very low | 41.5 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | -147.8 | 117 | 162.3 | 20.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 37 | S | 44.9 | Very low | 42 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | 78.4 | 106.6 | 136.5 | -51.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 38 | A | 36.4 | Very low | 43.2 | Very low | 105 Ų | 105 | 120 Ų | 120 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -50.4 | 134.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 39 | S | 41.1 | Very low | 44.8 | Very low | 113 Ų | 113 | 117 Ų | 117 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -138.1 | 106.1 | 149.5 | -172.9 | 0 | 0 | 0 | 0 | 107.3 | A41 | S39-A41 PolarHBondContact O-N 3.05Å; S39-A41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | T | 36.6 | Very low | 46.8 | Very low | 148 Ų | 148 | 114 Ų | 114 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | trans | -68.1 | 93.9 | 168.1 | 38.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 41 | A | 43.8 | Very low | 49.6 | Very low | 78 Ų | 78 | 110.2 Ų | 110.2 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | trans | -102.2 | 118 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | S39 D43 | S39-A41 PolarHBondContact O-N 3.05Å; S39-A41 VanDerWaalsContact O-N 3.09Å; A41-D43 PolarHBondContact O-N 3.16Å | ||
| 42 | A | 36.3 | Very low | 51.9 | Low | 107 Ų | 107 | 104.6 Ų | 104.6 | 88% | 0.884 | 71% | 0.712 | S | S | * | * | trans | -63.4 | 97.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | A44 | A42-A44 PolarHBondContact O-N 3.23Š| ||
| 43 | D | 40.1 | Very low | 54.4 | Low | 157 Ų | 157 | 103.4 Ų | 103.4 | 84% | 0.84 | 70% | 0.695 | S | S | * | * | trans | -71.6 | 111 | 169.2 | -96.6 | -24.1 | 0 | 0 | 0 | 108.4 | A41 A45 | A41-D43 PolarHBondContact O-N 3.16Å; D43-A45 PolarHBondContact O-N 3.37Å | ||
| 44 | A | 41.2 | Very low | 56.7 | Low | 89 Ų | 89 | 100.5 Ų | 100.5 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | trans | -50.3 | 112.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108 | A42 T46 | A42-A44 PolarHBondContact O-N 3.23Å; A44-T46 VanDerWaalsContact C-N 3.33Å; A44-T46 PolarHBondContact O-N 3.15Å | ||
| 45 | A | 38.9 | Very low | 59 | Low | 99 Ų | 99 | 97.2 Ų | 97.2 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | trans | -56.1 | 96.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | D43 | D43-A45 PolarHBondContact O-N 3.37Š| ||
| 46 | T | 44.5 | Very low | 61.8 | Low | 120 Ų | 120 | 91.3 Ų | 91.3 | 74% | 0.736 | 61% | 0.61 | S | S | * | * | trans | -60.9 | 135.9 | 160.3 | 40.1 | 0 | 0 | 0 | 0 | 106.5 | A44 S48 | A44-T46 VanDerWaalsContact C-N 3.33Å; A44-T46 PolarHBondContact O-N 3.15Å; T46-S48 PolarHBondContact O-N 2.98Å | ||
| 47 | P | 48.8 | Very low | 64.2 | Low | 123 Ų | 123 | 87.2 Ų | 87.2 | 80% | 0.799 | 59% | 0.585 | S | S | * | * | trans | -58.3 | 109.8 | 177.6 | 23.4 | -31.2 | 0 | 0 | 0 | 107.4 | S49 | P47-S49 PolarHBondContact O-N 3.38Š| ||
| 48 | S | 63.5 | Low | 66.6 | Low | 117 Ų | 117 | 87 Ų | 87 | 82% | 0.818 | 57% | 0.574 | S | S | * | * | trans | -55.8 | 108.5 | -174.9 | 57.4 | 0 | 0 | 0 | 0 | 108.5 | T46 | T46-S48 PolarHBondContact O-N 2.98Š| ||
| 49 | S | 80.7 | Confident | 69.3 | Low | 107 Ų | 107 | 88.8 Ų | 88.8 | 75% | 0.748 | 56% | 0.559 | S | S | * | * | trans | -62 | 142.3 | 174.8 | 57 | 0 | 0 | 0 | 0 | 108.6 | P47 S51 | P47-S49 PolarHBondContact O-N 3.38Å; S49-S51 PolarHBondContact O-N 3.41Å | ||
| 50 | F | 88.4 | Confident | 71.9 | Confident | 53 Ų | 53 | 83.5 Ų | 83.5 | 23% | 0.232 | 52% | 0.522 | C | S | . | . | trans | -62.5 | 109 | 179.1 | 174.4 | -101.5 | 0 | 0 | 0 | 110.1 | V52 Y55 I77 R78 P80 | F50-V52 HydrophobicContact CD1-CG2 4.1Å; F50-V52 HydrophobicContact CE1-CB 4.48Å; F50-V52 HydrophobicContact CE1-CG2 3.77Å; F50-V52 PolarHBondContact O-N 2.89Å; F50-Y55 AromaticContact CE2-CD2 3.61Å; F50-Y55 HydrophobicContact CE2-CD2 3.61Å; F50-Y55 HydrophobicContact CE2-CE2 4.47Å; F50-Y55 AromaticContact CE2-CG 3.87Å; F50-Y55 HydrophobicContact CE2-CG 3.87Å; F50-Y55 HydrophobicContact CZ-CD1 4.28Å; F50-Y55 AromaticContact CZ-CD2 3.74Å; F50-Y55 HydrophobicContact CZ-CD2 3.74Å; F50-Y55 AromaticContact CZ-CG 3.59Å; F50-Y55 HydrophobicContact CZ-CG 3.59Å; F50-I77 HydrophobicContact CD1-CG2 4.14Å; F50-I77 HydrophobicContact CE1-CB 4.14Å; F50-I77 HydrophobicContact CE1-CG2 3.41Å; F50-I77 VanDerWaalsContact CE1-CG2 3.41Å; F50-I77 HydrophobicContact CZ-CG2 4.05Å; F50-R78 WeakPolarHBondContact CB-O 3.28Å; F50-P80 HydrophobicContact CE2-CB 3.85Å; F50-P80 HydrophobicContact CE2-CG 4.39Å | ||
| 51 | S | 92.7 | Very high | 74.6 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 32% | 0.322 | 50% | 0.504 | S | S | . | . | trans | -82.6 | 110.3 | 173.4 | 174.4 | 0 | 0 | 0 | 0 | 109.6 | S49 E53 D54 Y55 | S49-S51 PolarHBondContact O-N 3.41Å; S51-E53 VanDerWaalsContact C-N 3.25Å; S51-E53 PolarHBondContact O-N 2.95Å; S51-D54 WeakPolarHBondContact CB-OD2 3.31Å; S51-D54 VanDerWaalsContact OG-CG 3.28Å; S51-D54 PolarHBondContact OG-N 2.93Å; S51-D54 PolarHBondContact OG-OD2 3.31Å; S51-Y55 WeakPolarHBondContact O-CB 3.49Å; S51-Y55 PolarHBondContact O-N 3.39Å | ||
| 52 | V | 94.5 | Very high | 77.1 | Confident | 19 Ų | 19 | 78.1 Ų | 78.1 | 12% | 0.115 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 176 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | F50 Y55 L56 A71 L74 I77 | F50-V52 HydrophobicContact CD1-CG2 4.1Å; F50-V52 HydrophobicContact CE1-CB 4.48Å; F50-V52 HydrophobicContact CE1-CG2 3.77Å; F50-V52 PolarHBondContact O-N 2.89Å; V52-Y55 WeakPolarHBondContact O-CB 3.43Å; V52-Y55 PolarHBondContact O-N 3.3Å; V52-L56 HydrophobicContact CG1-CD1 4.05Å; V52-L56 HydrophobicContact CG1-CG 4.4Å; V52-L56 WeakPolarHBondContact O-CB 3.36Å; V52-L56 VanDerWaalsContact O-CG 3.24Å; V52-L56 WeakPolarHBondContact O-CG 3.3Å; V52-L56 PolarHBondContact O-N 2.97Å; V52-A71 HydrophobicContact CG1-CB 3.98Å; V52-L74 HydrophobicContact CG1-CB 3.69Å; V52-L74 HydrophobicContact CG1-CD1 4.16Å; V52-I77 HydrophobicContact CG2-CB 4.38Å |
| 53 | E | 93.2 | Very high | 79.9 | Confident | 82 Ų | 82 | 81.9 Ų | 81.9 | 38% | 0.383 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -47.7 | -178.7 | -170.7 | 173.6 | 166.3 | 0 | 0 | 111.5 | S51 Y55 L56 V57 A67 A68 A71 | S51-E53 VanDerWaalsContact C-N 3.25Å; S51-E53 PolarHBondContact O-N 2.95Å; E53-Y55 VanDerWaalsContact C-N 3.27Å; E53-Y55 PolarHBondContact O-N 3.46Å; E53-L56 WeakPolarHBondContact O-CB 3.44Å; E53-L56 PolarHBondContact O-N 2.87Å; E53-L56 VanDerWaalsContact O-N 3.14Å; E53-V57 WeakPolarHBondContact O-CG2 3.47Å; E53-V57 PolarHBondContact O-N 3.48Å; E53-A67 HydrophobicContact CG-CB 4.08Å; E53-A68 WeakPolarHBondContact OE1-CB 3.34Å; E53-A71 HydrophobicContact CB-CB 4.44Å |
| 54 | D | 94 | Very high | 82.5 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 49% | 0.492 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 176.3 | -66.1 | -45.1 | 0 | 0 | 0 | 111.7 | S51 N58 | S51-D54 WeakPolarHBondContact CB-OD2 3.31Å; S51-D54 VanDerWaalsContact OG-CG 3.28Å; S51-D54 PolarHBondContact OG-N 2.93Å; S51-D54 PolarHBondContact OG-OD2 3.31Å; D54-N58 VanDerWaalsContact O-CB 3.28Å; D54-N58 WeakPolarHBondContact O-CB 3.2Å; D54-N58 PolarHBondContact O-N 3.39Å; D54-N58 PolarHBondContact O-ND2 3.2Å |
| 55 | Y | 95.8 | Very high | 85.1 | Confident | 16 Ų | 16 | 78.5 Ų | 78.5 | 6% | 0.063 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62 | -47.3 | 173.5 | 179.9 | -87.4 | 0 | 0 | 0 | 111.3 | F50 S51 V52 E53 V57 R59 C60 P80 P83 D84 L87 L112 | F50-Y55 AromaticContact CE2-CD2 3.61Å; F50-Y55 HydrophobicContact CE2-CD2 3.61Å; F50-Y55 HydrophobicContact CE2-CE2 4.47Å; F50-Y55 AromaticContact CE2-CG 3.87Å; F50-Y55 HydrophobicContact CE2-CG 3.87Å; F50-Y55 HydrophobicContact CZ-CD1 4.28Å; F50-Y55 AromaticContact CZ-CD2 3.74Å; F50-Y55 HydrophobicContact CZ-CD2 3.74Å; F50-Y55 AromaticContact CZ-CG 3.59Å; F50-Y55 HydrophobicContact CZ-CG 3.59Å; S51-Y55 WeakPolarHBondContact O-CB 3.49Å; S51-Y55 PolarHBondContact O-N 3.39Å; V52-Y55 WeakPolarHBondContact O-CB 3.43Å; V52-Y55 PolarHBondContact O-N 3.3Å; E53-Y55 VanDerWaalsContact C-N 3.27Å; E53-Y55 PolarHBondContact O-N 3.46Å; Y55-V57 VanDerWaalsContact C-N 3.34Å; Y55-V57 PolarHBondContact O-N 3.12Å; Y55-R59 HydrophobicContact CD1-CB 4.47Å; Y55-R59 HydrophobicContact CD2-CB 4.12Å; Y55-R59 HydrophobicContact CD2-CG 3.79Å; Y55-R59 HydrophobicContact CE1-CB 4.22Å; Y55-R59 HydrophobicContact CE2-CB 3.89Å; Y55-R59 HydrophobicContact CE2-CG 3.75Å; Y55-R59 HydrophobicContact CG-CB 4.41Å; Y55-R59 HydrophobicContact CG-CG 4.42Å; Y55-R59 WeakPolarHBondContact O-CA 3.39Å; Y55-R59 VanDerWaalsContact O-CB 3.23Å; Y55-R59 WeakPolarHBondContact O-CB 3.33Å; Y55-R59 PolarHBondContact O-N 2.93Å; Y55-C60 PolarHBondContact O-N 2.87Å; Y55-P80 HydrophobicContact CD2-CB 4.07Å; Y55-P80 HydrophobicContact CE2-CB 3.75Å; Y55-P83 HydrophobicContact CE1-CB 3.55Å; Y55-P83 HydrophobicContact CE1-CG 4.43Å; Y55-P83 HydrophobicContact CE2-CB 4.21Å; Y55-P83 VanDerWaalsContact OH-C 3.28Å; Y55-P83 WeakPolarHBondContact OH-CB 3.46Å; Y55-D84 PolarHBondContact OH-N 3.08Å; Y55-D84 PolarHBondContact OH-OD1 3.45Å; Y55-D84 VanDerWaalsContact OH-OD1 3.12Å; Y55-L87 HydrophobicContact CE1-CD1 4.37Å; Y55-L87 WeakPolarHBondContact OH-CD1 3.26Å; Y55-L112 HydrophobicContact CE1-CD1 4.23Å |
| 56 | L | 96.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 179.3 | -74 | 172.9 | 0 | 0 | 0 | 112.2 | V52 E53 C60 N61 L62 A67 V70 A71 L74 V105 L112 | V52-L56 HydrophobicContact CG1-CD1 4.05Å; V52-L56 HydrophobicContact CG1-CG 4.4Å; V52-L56 WeakPolarHBondContact O-CB 3.36Å; V52-L56 VanDerWaalsContact O-CG 3.24Å; V52-L56 WeakPolarHBondContact O-CG 3.3Å; V52-L56 PolarHBondContact O-N 2.97Å; E53-L56 WeakPolarHBondContact O-CB 3.44Å; E53-L56 PolarHBondContact O-N 2.87Å; E53-L56 VanDerWaalsContact O-N 3.14Å; L56-C60 HydrophobicContact CD2-CB 4.46Å; L56-C60 CarbonylContact O-C 3.46Å; L56-C60 WeakPolarHBondContact O-CA 3.49Å; L56-C60 VanDerWaalsContact O-CB 3.24Å; L56-C60 WeakPolarHBondContact O-CB 3.38Å; L56-C60 PolarHBondContact O-N 3.49Å; L56-N61 PolarHBondContact O-N 3.21Å; L56-L62 HydrophobicContact CB-CD1 3.96Å; L56-L62 HydrophobicContact CD2-CD1 3.86Å; L56-L62 HydrophobicContact CG-CD1 4.35Å; L56-L62 PolarHBondContact O-N 3.22Å; L56-A67 HydrophobicContact CB-CB 3.76Å; L56-A67 HydrophobicContact CD1-CB 4.32Å; L56-V70 HydrophobicContact CD1-CG2 3.69Å; L56-A71 HydrophobicContact CD1-CB 4.12Å; L56-L74 HydrophobicContact CD1-CD1 4.26Å; L56-L74 HydrophobicContact CD2-CD1 3.95Å; L56-L74 HydrophobicContact CG-CD1 4.46Å; L56-V105 HydrophobicContact CD2-CG1 3.73Å; L56-L112 HydrophobicContact CD2-CD1 3.69Å |
| 57 | V | 96.1 | Very high | 90.3 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.4 | -54.7 | 177 | 175 | 0 | 0 | 0 | 0 | 110.8 | E53 Y55 N61 L62 A64 A67 | E53-V57 WeakPolarHBondContact O-CG2 3.47Å; E53-V57 PolarHBondContact O-N 3.48Å; Y55-V57 VanDerWaalsContact C-N 3.34Å; Y55-V57 PolarHBondContact O-N 3.12Å; V57-N61 WeakPolarHBondContact O-CA 3.23Å; V57-N61 PolarHBondContact O-N 3.37Å; V57-L62 WeakPolarHBondContact CA-O 3.34Å; V57-A64 HydrophobicContact CG2-CB 4.4Å; V57-A67 HydrophobicContact CG2-CB 3.62Å |
| 58 | N | 94.8 | Very high | 92.5 | Very high | 112 Ų | 112 | 65.3 Ų | 65.3 | 60% | 0.599 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -81.4 | -31 | -168.6 | -64.8 | -54.3 | 0 | 0 | 0 | 113.9 | D54 | D54-N58 VanDerWaalsContact O-CB 3.28Å; D54-N58 WeakPolarHBondContact O-CB 3.2Å; D54-N58 PolarHBondContact O-N 3.39Å; D54-N58 PolarHBondContact O-ND2 3.2Å |
| 59 | R | 94.7 | Very high | 94.1 | Very high | 142 Ų | 142 | 67.4 Ų | 67.4 | 54% | 0.536 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -105.6 | -31.3 | -175.5 | -60.1 | -71 | -70.4 | -154.8 | -5.8 | 113.2 | Y55 D84 L87 | Y55-R59 HydrophobicContact CD1-CB 4.47Å; Y55-R59 HydrophobicContact CD2-CB 4.12Å; Y55-R59 HydrophobicContact CD2-CG 3.79Å; Y55-R59 HydrophobicContact CE1-CB 4.22Å; Y55-R59 HydrophobicContact CE2-CB 3.89Å; Y55-R59 HydrophobicContact CE2-CG 3.75Å; Y55-R59 HydrophobicContact CG-CB 4.41Å; Y55-R59 HydrophobicContact CG-CG 4.42Å; Y55-R59 WeakPolarHBondContact O-CA 3.39Å; Y55-R59 VanDerWaalsContact O-CB 3.23Å; Y55-R59 WeakPolarHBondContact O-CB 3.33Å; Y55-R59 PolarHBondContact O-N 2.93Å; R59-D84 IonicContact CZ-OD1 3.42Å; R59-D84 IonicContact NE-OD1 2.73Å; R59-D84 PolarHBondContact NE-OD1 3.49Å; R59-D84 IonicContact NH2-OD1 3.54Å; R59-D84 PolarHBondContact NH2-OD1 2.82Å; R59-D84 IonicContact NH2-OD2 3.23Å; R59-L87 HydrophobicContact CB-CD1 4.25Å |
| 60 | C | 94.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -99 | 0.5 | 177.6 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | Y55 L56 L62 A102 V105 | Y55-C60 PolarHBondContact O-N 2.87Å; L56-C60 HydrophobicContact CD2-CB 4.46Å; L56-C60 CarbonylContact O-C 3.46Å; L56-C60 WeakPolarHBondContact O-CA 3.49Å; L56-C60 VanDerWaalsContact O-CB 3.24Å; L56-C60 WeakPolarHBondContact O-CB 3.38Å; L56-C60 PolarHBondContact O-N 3.49Å; C60-L62 HydrophobicContact CB-CD1 4.24Å; C60-L62 HydrophobicContact CB-CG 4.16Å; C60-L62 PolarHBondContact O-N 3.28Å; C60-A102 VanDerWaalsContact O-CB 3.26Å; C60-A102 WeakPolarHBondContact O-CB 3.36Å; C60-V105 HydrophobicContact CB-CG1 4.33Å |
| 61 | N | 93.9 | Very high | 95.1 | Very high | 101 Ų | 101 | 60.6 Ų | 60.6 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | trans | 54.2 | 37.8 | -178.5 | -61.5 | -53.3 | 0 | 0 | 0 | 113 | L56 V57 | L56-N61 PolarHBondContact O-N 3.21Å; V57-N61 WeakPolarHBondContact O-CA 3.23Å; V57-N61 PolarHBondContact O-N 3.37Å | ||
| 62 | L | 95.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | trans | -86.8 | 144 | 175.3 | -68 | 174.4 | 0 | 0 | 0 | 110.8 | L56 V57 C60 V66 A67 V70 A102 V105 A106 | L56-L62 HydrophobicContact CB-CD1 3.96Å; L56-L62 HydrophobicContact CD2-CD1 3.86Å; L56-L62 HydrophobicContact CG-CD1 4.35Å; L56-L62 PolarHBondContact O-N 3.22Å; V57-L62 WeakPolarHBondContact CA-O 3.34Å; C60-L62 HydrophobicContact CB-CD1 4.24Å; C60-L62 HydrophobicContact CB-CG 4.16Å; C60-L62 PolarHBondContact O-N 3.28Å; L62-V66 HydrophobicContact CD2-CG1 4.05Å; L62-A67 HydrophobicContact CB-CB 4.28Å; L62-V70 HydrophobicContact CD1-CG2 4.4Å; L62-A102 HydrophobicContact CD2-CB 4.21Å; L62-A102 WeakPolarHBondContact CD2-O 3.49Å; L62-V105 HydrophobicContact CD1-CG1 3.92Å; L62-A106 HydrophobicContact CD2-CB 3.75Å | ||
| 63 | Y | 94.9 | Very high | 95.1 | Very high | 186 Ų | 186 | 67 Ų | 67 | 73% | 0.729 | 34% | 0.338 | S | S | * | . | trans | -63.3 | 143.1 | 166.8 | -63.8 | -73.8 | 0 | 0 | 0 | 110 | N65 V66 A67 | Y63-N65 VanDerWaalsContact C-N 3.25Å; Y63-N65 WeakPolarHBondContact CB-OD1 3.43Å; Y63-N65 PolarHBondContact O-N 3.19Å; Y63-N65 VanDerWaalsContact O-N 3.16Å; Y63-V66 WeakPolarHBondContact O-CA 3.2Å; Y63-V66 WeakPolarHBondContact O-CB 3.49Å; Y63-V66 PolarHBondContact O-N 2.89Å; Y63-A67 PolarHBondContact O-N 3.01Å | ||
| 64 | A | 95.5 | Very high | 95.1 | Very high | 58 Ų | 58 | 63.1 Ų | 63.1 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -51.7 | -42.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | V57 V66 A67 A68 | V57-A64 HydrophobicContact CG2-CB 4.4Å; A64-V66 VanDerWaalsContact C-N 3.32Å; A64-V66 PolarHBondContact O-N 2.82Å; A64-A67 PolarHBondContact O-N 3.45Å; A64-A68 WeakPolarHBondContact O-CB 3.33Å; A64-A68 PolarHBondContact O-N 2.92Å |
| 65 | N | 96.1 | Very high | 94.8 | Very high | 117 Ų | 117 | 62.2 Ų | 62.2 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.3 | -33 | 177 | 67.8 | -35.7 | 0 | 0 | 0 | 113.7 | Y63 R69 | Y63-N65 VanDerWaalsContact C-N 3.25Å; Y63-N65 WeakPolarHBondContact CB-OD1 3.43Å; Y63-N65 PolarHBondContact O-N 3.19Å; Y63-N65 VanDerWaalsContact O-N 3.16Å; N65-R69 PolarHBondContact O-N 3.12Å |
| 66 | V | 96.2 | Very high | 94.5 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.7 | -43.1 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 110 | L62 Y63 A64 R69 V70 A106 | L62-V66 HydrophobicContact CD2-CG1 4.05Å; Y63-V66 WeakPolarHBondContact O-CA 3.2Å; Y63-V66 WeakPolarHBondContact O-CB 3.49Å; Y63-V66 PolarHBondContact O-N 2.89Å; A64-V66 VanDerWaalsContact C-N 3.32Å; A64-V66 PolarHBondContact O-N 2.82Å; V66-R69 PolarHBondContact O-N 3.42Å; V66-V70 WeakPolarHBondContact O-CG2 3.49Å; V66-V70 PolarHBondContact O-N 3.2Å; V66-A106 HydrophobicContact CG1-CB 3.93Å |
| 67 | A | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.8 | -50.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | E53 L56 V57 L62 Y63 A64 R69 V70 A71 | E53-A67 HydrophobicContact CG-CB 4.08Å; L56-A67 HydrophobicContact CB-CB 3.76Å; L56-A67 HydrophobicContact CD1-CB 4.32Å; V57-A67 HydrophobicContact CG2-CB 3.62Å; L62-A67 HydrophobicContact CB-CB 4.28Å; Y63-A67 PolarHBondContact O-N 3.01Å; A64-A67 PolarHBondContact O-N 3.45Å; A67-R69 PolarHBondContact O-N 3.16Å; A67-V70 PolarHBondContact O-N 3.43Å; A67-V70 VanDerWaalsContact O-N 3.16Å; A67-A71 VanDerWaalsContact O-CB 3.28Å; A67-A71 WeakPolarHBondContact O-CB 2.83Å; A67-A71 PolarHBondContact O-N 3.19Å |
| 68 | A | 95.8 | Very high | 94 | Very high | 43 Ų | 43 | 73.5 Ų | 73.5 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.8 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E53 A64 P72 | E53-A68 WeakPolarHBondContact OE1-CB 3.34Å; A64-A68 WeakPolarHBondContact O-CB 3.33Å; A64-A68 PolarHBondContact O-N 2.92Å; A68-P72 WeakPolarHBondContact O-CD 3.49Å |
| 69 | R | 96.1 | Very high | 93.9 | Very high | 162 Ų | 162 | 70.7 Ų | 70.7 | 61% | 0.611 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.7 | -39 | 179.5 | -176.3 | -179.8 | 66.4 | -149.9 | -0.4 | 112.9 | N65 V66 A67 | N65-R69 PolarHBondContact O-N 3.12Å; V66-R69 PolarHBondContact O-N 3.42Å; A67-R69 PolarHBondContact O-N 3.16Å |
| 70 | V | 95.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.024 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -98.2 | -17.5 | -172.6 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | L56 L62 V66 A67 P72 E73 P109 | L56-V70 HydrophobicContact CD1-CG2 3.69Å; L62-V70 HydrophobicContact CD1-CG2 4.4Å; V66-V70 WeakPolarHBondContact O-CG2 3.49Å; V66-V70 PolarHBondContact O-N 3.2Å; A67-V70 PolarHBondContact O-N 3.43Å; A67-V70 VanDerWaalsContact O-N 3.16Å; V70-P72 VanDerWaalsContact C-N 3.33Å; V70-E73 WeakPolarHBondContact O-CB 3.33Å; V70-E73 PolarHBondContact O-N 3.03Å; V70-E73 VanDerWaalsContact O-N 3.16Å; V70-P109 HydrophobicContact CB-CB 4.01Å; V70-P109 HydrophobicContact CB-CG 3.93Å; V70-P109 HydrophobicContact CG2-CB 4.22Å |
| 71 | A | 94.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 70.2 Ų | 70.2 | 11% | 0.107 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -53.4 | -37.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V52 E53 L56 A67 E73 L74 S75 | V52-A71 HydrophobicContact CG1-CB 3.98Å; E53-A71 HydrophobicContact CB-CB 4.44Å; L56-A71 HydrophobicContact CD1-CB 4.12Å; A67-A71 VanDerWaalsContact O-CB 3.28Å; A67-A71 WeakPolarHBondContact O-CB 2.83Å; A67-A71 PolarHBondContact O-N 3.19Å; A71-E73 PolarHBondContact O-N 3.06Å; A71-L74 CarbonylContact O-C 3.56Å; A71-L74 WeakPolarHBondContact O-CA 3.34Å; A71-L74 PolarHBondContact O-N 3.49Å; A71-S75 PolarHBondContact O-N 2.83Å |
| 72 | P | 94.4 | Very high | 93.8 | Very high | 86 Ų | 86 | 70.6 Ų | 70.6 | 56% | 0.558 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -57.8 | -33.3 | 177.9 | -27.4 | 36.6 | 0 | 0 | 0 | 114.2 | A68 V70 L74 S75 | A68-P72 WeakPolarHBondContact O-CD 3.49Å; V70-P72 VanDerWaalsContact C-N 3.33Å; P72-L74 PolarHBondContact O-N 3.46Å; P72-S75 WeakPolarHBondContact O-CB 3.23Å; P72-S75 PolarHBondContact O-N 2.82Å; P72-S75 PolarHBondContact O-OG 3.43Å |
| 73 | E | 93.4 | Very high | 93.8 | Very high | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -68.4 | -15 | 177.4 | -61 | -178 | -134.4 | 0 | 0 | 112.9 | V70 A71 P109 | V70-E73 WeakPolarHBondContact O-CB 3.33Å; V70-E73 PolarHBondContact O-N 3.03Å; V70-E73 VanDerWaalsContact O-N 3.16Å; A71-E73 PolarHBondContact O-N 3.06Å; E73-P109 HydrophobicContact CB-CG 3.8Å; E73-P109 HydrophobicContact CG-CG 4.22Å; E73-P109 WeakPolarHBondContact OE2-CG 3.46Å |
| 74 | L | 93.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -113.6 | 15.8 | -177.3 | -58 | -177.9 | 0 | 0 | 0 | 113 | V52 L56 A71 P72 A76 I77 P109 L112 T113 | V52-L74 HydrophobicContact CG1-CB 3.69Å; V52-L74 HydrophobicContact CG1-CD1 4.16Å; L56-L74 HydrophobicContact CD1-CD1 4.26Å; L56-L74 HydrophobicContact CD2-CD1 3.95Å; L56-L74 HydrophobicContact CG-CD1 4.46Å; A71-L74 CarbonylContact O-C 3.56Å; A71-L74 WeakPolarHBondContact O-CA 3.34Å; A71-L74 PolarHBondContact O-N 3.49Å; P72-L74 PolarHBondContact O-N 3.46Å; L74-A76 PolarHBondContact O-N 2.88Å; L74-I77 HydrophobicContact CB-CD1 3.87Å; L74-I77 HydrophobicContact CB-CG1 4.29Å; L74-I77 HydrophobicContact CD1-CD1 4.27Å; L74-I77 HydrophobicContact CD2-CD1 3.98Å; L74-I77 HydrophobicContact CG-CD1 4.26Å; L74-I77 WeakPolarHBondContact O-CB 3.39Å; L74-I77 WeakPolarHBondContact O-CG1 3.33Å; L74-I77 PolarHBondContact O-N 2.95Å; L74-P109 HydrophobicContact CD1-CB 3.85Å; L74-P109 HydrophobicContact CD2-CB 4.05Å; L74-P109 VanDerWaalsContact CD2-O 3.25Å; L74-P109 WeakPolarHBondContact CD2-O 3.34Å; L74-P109 HydrophobicContact CG-CB 3.93Å; L74-L112 HydrophobicContact CD1-CD1 3.9Å; L74-T113 HydrophobicContact CD2-CG2 3.65Å |
| 75 | S | 88.7 | Confident | 94 | Very high | 74 Ų | 74 | 63 Ų | 63 | 52% | 0.517 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -21.9 | -178.2 | 54.6 | 0 | 0 | 0 | 0 | 114.9 | A71 P72 I77 R78 | A71-S75 PolarHBondContact O-N 2.83Å; P72-S75 WeakPolarHBondContact O-CB 3.23Å; P72-S75 PolarHBondContact O-N 2.82Å; P72-S75 PolarHBondContact O-OG 3.43Å; S75-I77 VanDerWaalsContact C-N 3.33Å; S75-R78 VanDerWaalsContact O-CZ 3.29Å; S75-R78 PolarHBondContact O-NH1 3.13Å; S75-R78 PolarHBondContact O-NH2 3.29Å |
| 76 | A | 89 | Confident | 94 | Very high | 85 Ų | 85 | 57.4 Ų | 57.4 | 70% | 0.702 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -14.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L74 R78 | L74-A76 PolarHBondContact O-N 2.88Å; A76-R78 PolarHBondContact O-N 3.08Å |
| 77 | I | 91.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.087 | 32% | 0.321 | C | S | . | . | trans | -78 | 123.7 | -179 | -55.1 | -177.6 | 0 | 0 | 0 | 109.2 | F50 V52 L74 S75 S79 P83 L112 T113 | F50-I77 HydrophobicContact CD1-CG2 4.14Å; F50-I77 HydrophobicContact CE1-CB 4.14Å; F50-I77 HydrophobicContact CE1-CG2 3.41Å; F50-I77 VanDerWaalsContact CE1-CG2 3.41Å; F50-I77 HydrophobicContact CZ-CG2 4.05Å; V52-I77 HydrophobicContact CG2-CB 4.38Å; L74-I77 HydrophobicContact CB-CD1 3.87Å; L74-I77 HydrophobicContact CB-CG1 4.29Å; L74-I77 HydrophobicContact CD1-CD1 4.27Å; L74-I77 HydrophobicContact CD2-CD1 3.98Å; L74-I77 HydrophobicContact CG-CD1 4.26Å; L74-I77 WeakPolarHBondContact O-CB 3.39Å; L74-I77 WeakPolarHBondContact O-CG1 3.33Å; L74-I77 PolarHBondContact O-N 2.95Å; S75-I77 VanDerWaalsContact C-N 3.33Å; I77-S79 VanDerWaalsContact CG2-O 3.29Å; I77-S79 WeakPolarHBondContact CG2-O 3.36Å; I77-P83 HydrophobicContact CD1-CG 3.91Å; I77-P83 HydrophobicContact CG2-CG 3.78Å; I77-L112 HydrophobicContact CD1-CB 4.22Å; I77-T113 HydrophobicContact CD1-CG2 3.95Å; I77-T113 HydrophobicContact CG1-CG2 4.12Å | ||
| 78 | R | 90.7 | Very high | 94.1 | Very high | 194 Ų | 194 | 59.3 Ų | 59.3 | 73% | 0.732 | 34% | 0.338 | S | S | * | . | trans | -117.1 | -3.1 | 179.3 | -59 | -60.5 | -176.3 | -145.6 | -1 | 113.8 | F50 S75 A76 | F50-R78 WeakPolarHBondContact CB-O 3.28Å; S75-R78 VanDerWaalsContact O-CZ 3.29Å; S75-R78 PolarHBondContact O-NH1 3.13Å; S75-R78 PolarHBondContact O-NH2 3.29Å; A76-R78 PolarHBondContact O-N 3.08Å | ||
| 79 | S | 92.6 | Very high | 94.2 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | trans | -151.6 | 146.4 | -175.8 | 163.9 | 0 | 0 | 0 | 0 | 110.3 | I77 S81 | I77-S79 VanDerWaalsContact CG2-O 3.29Å; I77-S79 WeakPolarHBondContact CG2-O 3.36Å; S79-S81 VanDerWaalsContact C-N 3.26Å; S79-S81 PolarHBondContact O-N 2.95Å; S79-S81 PolarHBondContact OG-N 3.16Å; S79-S81 PolarHBondContact OG-OG 2.97Å; S79-S81 VanDerWaalsContact OG-OG 3.07Å | ||
| 80 | P | 93.6 | Very high | 94.2 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -71.9 | -16.6 | 177.3 | 30.8 | -36.4 | 0 | 0 | 0 | 113.3 | F50 Y55 K82 P83 D84 | F50-P80 HydrophobicContact CE2-CB 3.85Å; F50-P80 HydrophobicContact CE2-CG 4.39Å; Y55-P80 HydrophobicContact CD2-CB 4.07Å; Y55-P80 HydrophobicContact CE2-CB 3.75Å; P80-K82 VanDerWaalsContact C-N 3.35Å; P80-K82 PolarHBondContact O-N 3.19Å; P80-P83 VanDerWaalsContact O-CD 3.28Å; P80-P83 WeakPolarHBondContact O-CD 3.41Å; P80-D84 WeakPolarHBondContact O-CB 3.35Å; P80-D84 PolarHBondContact O-N 3.24Å |
| 81 | S | 93.1 | Very high | 94.3 | Very high | 85 Ų | 85 | 51.7 Ų | 51.7 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -57.4 | -41.6 | -167.5 | -51.4 | 0 | 0 | 0 | 0 | 114.3 | S79 A85 | S79-S81 VanDerWaalsContact C-N 3.26Å; S79-S81 PolarHBondContact O-N 2.95Å; S79-S81 PolarHBondContact OG-N 3.16Å; S79-S81 PolarHBondContact OG-OG 2.97Å; S79-S81 VanDerWaalsContact OG-OG 3.07Å; S81-A85 PolarHBondContact O-N 2.9Å |
| 82 | K | 93.5 | Very high | 94.5 | Very high | 108 Ų | 108 | 57.2 Ų | 57.2 | 47% | 0.47 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -76.1 | -48.9 | 179.5 | -178 | -175.9 | -161.4 | -176.8 | 0 | 111.9 | P80 D84 A85 V86 T113 C114 | P80-K82 VanDerWaalsContact C-N 3.35Å; P80-K82 PolarHBondContact O-N 3.19Å; K82-D84 VanDerWaalsContact C-N 3.31Å; K82-D84 PolarHBondContact O-N 3.49Å; K82-A85 PolarHBondContact O-N 3.38Å; K82-V86 PolarHBondContact O-N 2.54Å; K82-V86 VanDerWaalsContact O-N 3.08Å; K82-T113 WeakPolarHBondContact CE-O 3.35Å; K82-T113 PolarHBondContact NZ-O 3Å; K82-C114 WeakPolarHBondContact CE-O 3.11Å |
| 83 | P | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -51.5 | -45.1 | 169.4 | -33.3 | 39 | 0 | 0 | 0 | 114.1 | Y55 I77 P80 A85 V86 L87 L112 | Y55-P83 HydrophobicContact CE1-CB 3.55Å; Y55-P83 HydrophobicContact CE1-CG 4.43Å; Y55-P83 HydrophobicContact CE2-CB 4.21Å; Y55-P83 VanDerWaalsContact OH-C 3.28Å; Y55-P83 WeakPolarHBondContact OH-CB 3.46Å; I77-P83 HydrophobicContact CD1-CG 3.91Å; I77-P83 HydrophobicContact CG2-CG 3.78Å; P80-P83 VanDerWaalsContact O-CD 3.28Å; P80-P83 WeakPolarHBondContact O-CD 3.41Å; P83-A85 VanDerWaalsContact C-N 3.35Å; P83-A85 PolarHBondContact O-N 2.91Å; P83-V86 WeakPolarHBondContact O-CB 3.17Å; P83-V86 PolarHBondContact O-N 2.93Å; P83-V86 VanDerWaalsContact O-N 3.13Å; P83-L87 WeakPolarHBondContact O-CG 3.32Å; P83-L87 PolarHBondContact O-N 3.44Å; P83-L112 HydrophobicContact CB-CB 4.28Å; P83-L112 HydrophobicContact CB-CD2 4.33Å; P83-L112 HydrophobicContact CG-CB 4.35Å |
| 84 | D | 96.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 179.8 | -82 | -30.6 | 0 | 0 | 0 | 111.6 | Y55 R59 P80 K82 V86 L87 A88 | Y55-D84 PolarHBondContact OH-N 3.08Å; Y55-D84 PolarHBondContact OH-OD1 3.45Å; Y55-D84 VanDerWaalsContact OH-OD1 3.12Å; R59-D84 IonicContact CZ-OD1 3.42Å; R59-D84 IonicContact NE-OD1 2.73Å; R59-D84 PolarHBondContact NE-OD1 3.49Å; R59-D84 IonicContact NH2-OD1 3.54Å; R59-D84 PolarHBondContact NH2-OD1 2.82Å; R59-D84 IonicContact NH2-OD2 3.23Å; P80-D84 WeakPolarHBondContact O-CB 3.35Å; P80-D84 PolarHBondContact O-N 3.24Å; K82-D84 VanDerWaalsContact C-N 3.31Å; K82-D84 PolarHBondContact O-N 3.49Å; D84-V86 VanDerWaalsContact C-N 3.31Å; D84-V86 PolarHBondContact O-N 2.93Å; D84-L87 PolarHBondContact O-N 3.41Å; D84-A88 WeakPolarHBondContact O-CB 3.38Å; D84-A88 PolarHBondContact O-N 3.11Å |
| 85 | A | 96.7 | Very high | 94.8 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S81 K82 P83 F89 V116 | S81-A85 PolarHBondContact O-N 2.9Å; K82-A85 PolarHBondContact O-N 3.38Å; P83-A85 VanDerWaalsContact C-N 3.35Å; P83-A85 PolarHBondContact O-N 2.91Å; A85-F89 PolarHBondContact O-N 3.29Å; A85-V116 HydrophobicContact CB-CG2 4.49Å |
| 86 | V | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -46.5 | 174.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | K82 P83 D84 A88 F89 L90 I111 L112 V116 L120 | K82-V86 PolarHBondContact O-N 2.54Å; K82-V86 VanDerWaalsContact O-N 3.08Å; P83-V86 WeakPolarHBondContact O-CB 3.17Å; P83-V86 PolarHBondContact O-N 2.93Å; P83-V86 VanDerWaalsContact O-N 3.13Å; D84-V86 VanDerWaalsContact C-N 3.31Å; D84-V86 PolarHBondContact O-N 2.93Å; V86-A88 VanDerWaalsContact C-N 3.31Å; V86-A88 PolarHBondContact O-N 3.27Å; V86-F89 WeakPolarHBondContact O-CB 3.24Å; V86-F89 PolarHBondContact O-N 3.2Å; V86-F89 VanDerWaalsContact O-N 3.15Å; V86-L90 HydrophobicContact CG1-CD1 4.19Å; V86-L90 HydrophobicContact CG1-CG 4.34Å; V86-L90 WeakPolarHBondContact O-CG 3.42Å; V86-L90 PolarHBondContact O-N 3.46Å; V86-I111 HydrophobicContact CG1-CG1 3.97Å; V86-I111 WeakPolarHBondContact CG1-O 3.37Å; V86-L112 HydrophobicContact CG1-CD2 4.28Å; V86-V116 HydrophobicContact CG2-CG2 4.02Å; V86-L120 HydrophobicContact CG1-CD1 4.12Å; V86-L120 HydrophobicContact CG2-CD1 4.28Å |
| 87 | L | 97.2 | Very high | 95.5 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 177.6 | -67.9 | -176.4 | 0 | 0 | 0 | 111.3 | Y55 R59 P83 D84 F89 L90 A91 I101 V105 L112 | Y55-L87 HydrophobicContact CE1-CD1 4.37Å; Y55-L87 WeakPolarHBondContact OH-CD1 3.26Å; R59-L87 HydrophobicContact CB-CD1 4.25Å; P83-L87 WeakPolarHBondContact O-CG 3.32Å; P83-L87 PolarHBondContact O-N 3.44Å; D84-L87 PolarHBondContact O-N 3.41Å; L87-F89 VanDerWaalsContact C-N 3.35Å; L87-F89 PolarHBondContact O-N 2.96Å; L87-L90 PolarHBondContact O-N 3.28Å; L87-A91 WeakPolarHBondContact O-CB 3.17Å; L87-A91 PolarHBondContact O-N 2.88Å; L87-I101 HydrophobicContact CD2-CG2 3.59Å; L87-V105 HydrophobicContact CD2-CG2 4.46Å; L87-L112 HydrophobicContact CD2-CD2 3.78Å; L87-L112 HydrophobicContact CG-CD2 4.11Å |
| 88 | A | 97.1 | Very high | 95.7 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | D84 V86 N92 | D84-A88 WeakPolarHBondContact O-CB 3.38Å; D84-A88 PolarHBondContact O-N 3.11Å; V86-A88 VanDerWaalsContact C-N 3.31Å; V86-A88 PolarHBondContact O-N 3.27Å; A88-N92 WeakPolarHBondContact O-CB 3.28Å; A88-N92 PolarHBondContact O-N 3.09Å; A88-N92 PolarHBondContact O-ND2 3.44Å |
| 89 | F | 97.5 | Very high | 95.9 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -63.2 | -45.4 | 174.2 | 175.8 | -94.8 | 0 | 0 | 0 | 112.2 | A85 V86 L87 T93 L94 V116 L120 A121 A124 | A85-F89 PolarHBondContact O-N 3.29Å; V86-F89 WeakPolarHBondContact O-CB 3.24Å; V86-F89 PolarHBondContact O-N 3.2Å; V86-F89 VanDerWaalsContact O-N 3.15Å; L87-F89 VanDerWaalsContact C-N 3.35Å; L87-F89 PolarHBondContact O-N 2.96Å; F89-T93 HydrophobicContact CD2-CG2 4.01Å; F89-T93 HydrophobicContact CE2-CG2 3.64Å; F89-T93 HydrophobicContact CZ-CG2 4.28Å; F89-T93 WeakPolarHBondContact O-CA 3.26Å; F89-T93 WeakPolarHBondContact O-CB 3.37Å; F89-T93 PolarHBondContact O-N 2.97Å; F89-L94 HydrophobicContact CD1-CD1 4.39Å; F89-L94 HydrophobicContact CD1-CG 4.28Å; F89-L94 HydrophobicContact CE1-CD1 3.77Å; F89-L94 HydrophobicContact CE1-CD2 4.11Å; F89-L94 HydrophobicContact CE1-CG 3.76Å; F89-L94 HydrophobicContact CZ-CD2 4.09Å; F89-L94 HydrophobicContact CZ-CG 4.22Å; F89-L94 PolarHBondContact O-N 3.47Å; F89-L94 VanDerWaalsContact O-N 3.13Å; F89-V116 HydrophobicContact CB-CG1 4.02Å; F89-V116 HydrophobicContact CB-CG2 3.99Å; F89-V116 HydrophobicContact CD2-CG1 3.58Å; F89-V116 HydrophobicContact CE2-CG1 4.26Å; F89-V116 HydrophobicContact CG-CG1 3.92Å; F89-V116 HydrophobicContact CG-CG2 4.42Å; F89-L120 HydrophobicContact CD1-CB 4.01Å; F89-L120 HydrophobicContact CD1-CD1 3.99Å; F89-L120 HydrophobicContact CE1-CB 3.56Å; F89-L120 HydrophobicContact CE1-CD1 4.28Å; F89-L120 HydrophobicContact CZ-CB 3.86Å; F89-A121 HydrophobicContact CE2-CB 4.05Å; F89-A124 HydrophobicContact CZ-CB 3.96Å |
| 90 | L | 97 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -62.8 | -43.3 | 178.1 | -65.9 | 178.7 | 0 | 0 | 0 | 112 | V86 L87 L94 E95 L96 I101 I111 V141 | V86-L90 HydrophobicContact CG1-CD1 4.19Å; V86-L90 HydrophobicContact CG1-CG 4.34Å; V86-L90 WeakPolarHBondContact O-CG 3.42Å; V86-L90 PolarHBondContact O-N 3.46Å; L87-L90 PolarHBondContact O-N 3.28Å; L90-L94 HydrophobicContact CD2-CD1 3.88Å; L90-L94 CarbonylContact O-C 3.21Å; L90-E95 PolarHBondContact O-N 3.48Å; L90-L96 HydrophobicContact CB-CD1 4.4Å; L90-L96 HydrophobicContact CD2-CD1 4.35Å; L90-L96 WeakPolarHBondContact O-CB 3.28Å; L90-L96 PolarHBondContact O-N 2.9Å; L90-I101 HydrophobicContact CB-CD1 4.21Å; L90-I101 HydrophobicContact CB-CG1 4.12Å; L90-I101 HydrophobicContact CD1-CG2 4.33Å; L90-I111 HydrophobicContact CD1-CD1 4.06Å; L90-I111 HydrophobicContact CD2-CD1 3.94Å; L90-V141 HydrophobicContact CD2-CG1 4.15Å |
| 91 | A | 97.3 | Very high | 96.2 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -72 | -50.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L87 E95 I101 | L87-A91 WeakPolarHBondContact O-CB 3.17Å; L87-A91 PolarHBondContact O-N 2.88Å; A91-E95 WeakPolarHBondContact O-CA 3.42Å; A91-E95 PolarHBondContact O-N 3.03Å; A91-I101 HydrophobicContact CB-CD1 3.84Å |
| 92 | N | 96.9 | Very high | 96.4 | Very high | 129 Ų | 129 | 43.7 Ų | 43.7 | 69% | 0.69 | 26% | 0.258 | S | S | * | . | I | π-helix | trans | -92.3 | -33.4 | -167.1 | -57.4 | -25.9 | 0 | 0 | 0 | 112.9 | A88 | A88-N92 WeakPolarHBondContact O-CB 3.28Å; A88-N92 PolarHBondContact O-N 3.09Å; A88-N92 PolarHBondContact O-ND2 3.44Å |
| 93 | T | 95.5 | Very high | 96.5 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 34% | 0.344 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -97.5 | -34.7 | -176.5 | -50.5 | 0 | 0 | 0 | 0 | 112.5 | F89 A134 | F89-T93 HydrophobicContact CD2-CG2 4.01Å; F89-T93 HydrophobicContact CE2-CG2 3.64Å; F89-T93 HydrophobicContact CZ-CG2 4.28Å; F89-T93 WeakPolarHBondContact O-CA 3.26Å; F89-T93 WeakPolarHBondContact O-CB 3.37Å; F89-T93 PolarHBondContact O-N 2.97Å; T93-A134 WeakPolarHBondContact O-CB 3.47Å |
| 94 | L | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -101.5 | 3.3 | 176.4 | -54.8 | -168.5 | 0 | 0 | 0 | 113.2 | F89 L90 L96 A124 A134 F135 M137 V141 F149 | F89-L94 HydrophobicContact CD1-CD1 4.39Å; F89-L94 HydrophobicContact CD1-CG 4.28Å; F89-L94 HydrophobicContact CE1-CD1 3.77Å; F89-L94 HydrophobicContact CE1-CD2 4.11Å; F89-L94 HydrophobicContact CE1-CG 3.76Å; F89-L94 HydrophobicContact CZ-CD2 4.09Å; F89-L94 HydrophobicContact CZ-CG 4.22Å; F89-L94 PolarHBondContact O-N 3.47Å; F89-L94 VanDerWaalsContact O-N 3.13Å; L90-L94 HydrophobicContact CD2-CD1 3.88Å; L90-L94 CarbonylContact O-C 3.21Å; L94-L96 HydrophobicContact CB-CG 4.34Å; L94-L96 PolarHBondContact O-N 3.18Å; L94-L96 VanDerWaalsContact O-N 3.12Å; L94-A124 HydrophobicContact CD2-CB 4.2Å; L94-A134 CarbonylContact O-C 3.59Å; L94-F135 WeakPolarHBondContact O-CA 3.09Å; L94-M137 HydrophobicContact CD2-CB 3.96Å; L94-M137 HydrophobicContact CD2-CE 4.12Å; L94-V141 HydrophobicContact CD1-CG2 3.84Å; L94-F149 HydrophobicContact CD1-CZ 4.47Å |
| 95 | E | 96.6 | Very high | 96.5 | Very high | 123 Ų | 123 | 40.2 Ų | 40.2 | 58% | 0.575 | 25% | 0.248 | S | C | * | . | trans | 54.5 | 32.1 | 175.2 | -61.9 | 175.1 | -173.7 | 0 | 0 | 113.4 | L90 A91 A134 | L90-E95 PolarHBondContact O-N 3.48Å; A91-E95 WeakPolarHBondContact O-CA 3.42Å; A91-E95 PolarHBondContact O-N 3.03Å; E95-A134 HydrophobicContact CB-CB 4.44Å; E95-A134 HydrophobicContact CG-CB 3.93Å | ||
| 96 | L | 96.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | trans | -80.1 | 125.3 | 177.7 | -68.1 | -174.5 | 0 | 0 | 0 | 111.2 | L90 L94 L100 I101 F135 | L90-L96 HydrophobicContact CB-CD1 4.4Å; L90-L96 HydrophobicContact CD2-CD1 4.35Å; L90-L96 WeakPolarHBondContact O-CB 3.28Å; L90-L96 PolarHBondContact O-N 2.9Å; L94-L96 HydrophobicContact CB-CG 4.34Å; L94-L96 PolarHBondContact O-N 3.18Å; L94-L96 VanDerWaalsContact O-N 3.12Å; L96-L100 HydrophobicContact CB-CB 4.35Å; L96-L100 HydrophobicContact CD2-CB 4.07Å; L96-L100 HydrophobicContact CD2-CD1 4Å; L96-I101 HydrophobicContact CB-CD1 4.33Å; L96-I101 HydrophobicContact CB-CG1 3.66Å; L96-I101 WeakPolarHBondContact O-CD1 3.2Å; L96-F135 HydrophobicContact CD2-CD2 4.45Å; L96-F135 HydrophobicContact CD2-CE2 4.43Å | ||
| 97 | S | 95.9 | Very high | 96.2 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | trans | -61.3 | 154.2 | 168.3 | 67.7 | 0 | 0 | 0 | 0 | 111.9 | P99 L100 I101 | S97-P99 VanDerWaalsContact C-CD 3.48Å; S97-P99 VanDerWaalsContact C-N 3.33Å; S97-L100 PolarHBondContact O-N 3.47Å; S97-I101 PolarHBondContact O-N 3.14Å | ||
| 98 | P | 95.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 45.6 Ų | 45.6 | 49% | 0.494 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -52.1 | -40.1 | 178.8 | -24.5 | 32 | 0 | 0 | 0 | 114.8 | L100 I101 A102 | P98-L100 PolarHBondContact O-N 2.9Å; P98-I101 PolarHBondContact O-N 3.39Å; P98-A102 PolarHBondContact O-N 2.68Å |
| 99 | P | 95.8 | Very high | 96 | Very high | 91 Ų | 91 | 43.6 Ų | 43.6 | 59% | 0.591 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.7 | -37.7 | 174 | -24.9 | 35.6 | 0 | 0 | 0 | 113.9 | S97 A102 V103 | S97-P99 VanDerWaalsContact C-CD 3.48Å; S97-P99 VanDerWaalsContact C-N 3.33Å; P99-A102 WeakPolarHBondContact O-CB 3.08Å; P99-A102 PolarHBondContact O-N 3.13Å; P99-V103 WeakPolarHBondContact O-CG2 3.08Å; P99-V103 PolarHBondContact O-N 2.88Å |
| 100 | L | 95.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72 | -33.9 | 177.1 | -73.2 | 174.6 | 0 | 0 | 0 | 112.1 | L96 S97 P98 V103 A104 F135 L139 | L96-L100 HydrophobicContact CB-CB 4.35Å; L96-L100 HydrophobicContact CD2-CB 4.07Å; L96-L100 HydrophobicContact CD2-CD1 4Å; S97-L100 PolarHBondContact O-N 3.47Å; P98-L100 PolarHBondContact O-N 2.9Å; L100-V103 PolarHBondContact O-N 3.43Å; L100-A104 WeakPolarHBondContact O-CB 3.45Å; L100-A104 PolarHBondContact O-N 2.93Å; L100-F135 HydrophobicContact CD1-CE2 3.63Å; L100-F135 HydrophobicContact CD1-CZ 3.97Å; L100-L139 HydrophobicContact CD1-CD2 4.36Å |
| 101 | I | 96.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 171.1 | -65.5 | 175.5 | 0 | 0 | 0 | 109.9 | L87 L90 A91 L96 S97 P98 V103 A104 V105 | L87-I101 HydrophobicContact CD2-CG2 3.59Å; L90-I101 HydrophobicContact CB-CD1 4.21Å; L90-I101 HydrophobicContact CB-CG1 4.12Å; L90-I101 HydrophobicContact CD1-CG2 4.33Å; A91-I101 HydrophobicContact CB-CD1 3.84Å; L96-I101 HydrophobicContact CB-CD1 4.33Å; L96-I101 HydrophobicContact CB-CG1 3.66Å; L96-I101 WeakPolarHBondContact O-CD1 3.2Å; S97-I101 PolarHBondContact O-N 3.14Å; P98-I101 PolarHBondContact O-N 3.39Å; I101-V103 VanDerWaalsContact C-N 3.31Å; I101-V103 PolarHBondContact O-N 3.23Å; I101-A104 PolarHBondContact O-N 3.25Å; I101-A104 VanDerWaalsContact O-N 3.14Å; I101-V105 HydrophobicContact CG2-CG2 4.28Å; I101-V105 WeakPolarHBondContact O-CG2 3.36Å; I101-V105 PolarHBondContact O-N 3.36Å |
| 102 | A | 96.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 43 Ų | 43 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C60 L62 P98 P99 A104 V105 A106 | C60-A102 VanDerWaalsContact O-CB 3.26Å; C60-A102 WeakPolarHBondContact O-CB 3.36Å; L62-A102 HydrophobicContact CD2-CB 4.21Å; L62-A102 WeakPolarHBondContact CD2-O 3.49Å; P98-A102 PolarHBondContact O-N 2.68Å; P99-A102 WeakPolarHBondContact O-CB 3.08Å; P99-A102 PolarHBondContact O-N 3.13Å; A102-A104 PolarHBondContact O-N 3.47Å; A102-V105 PolarHBondContact O-N 2.95Å; A102-A106 WeakPolarHBondContact O-CB 3.42Å; A102-A106 PolarHBondContact O-N 2.83Å |
| 103 | V | 95.2 | Very high | 95.6 | Very high | 80 Ų | 80 | 39.3 Ų | 39.3 | 49% | 0.485 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.2 | 171 | 0 | 0 | 0 | 0 | 112 | P99 L100 I101 A106 R107 | P99-V103 WeakPolarHBondContact O-CG2 3.08Å; P99-V103 PolarHBondContact O-N 2.88Å; L100-V103 PolarHBondContact O-N 3.43Å; I101-V103 VanDerWaalsContact C-N 3.31Å; I101-V103 PolarHBondContact O-N 3.23Å; V103-A106 PolarHBondContact O-N 2.72Å; V103-R107 WeakPolarHBondContact O-CB 3.43Å; V103-R107 PolarHBondContact O-N 3.37Å |
| 104 | A | 95.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | L100 I101 A102 R107 D108 V141 A142 | L100-A104 WeakPolarHBondContact O-CB 3.45Å; L100-A104 PolarHBondContact O-N 2.93Å; I101-A104 PolarHBondContact O-N 3.25Å; I101-A104 VanDerWaalsContact O-N 3.14Å; A102-A104 PolarHBondContact O-N 3.47Å; A104-R107 PolarHBondContact O-N 2.9Å; A104-D108 PolarHBondContact O-N 3.06Å; A104-D108 VanDerWaalsContact O-N 3.09Å; A104-V141 HydrophobicContact CB-CG1 4.11Å; A104-A142 HydrophobicContact CB-CB 4.19Å |
| 105 | V | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 178.5 | 178.3 | 0 | 0 | 0 | 0 | 111 | L56 C60 L62 L87 I101 A102 R107 D108 P109 I111 L112 | L56-V105 HydrophobicContact CD2-CG1 3.73Å; C60-V105 HydrophobicContact CB-CG1 4.33Å; L62-V105 HydrophobicContact CD1-CG1 3.92Å; L87-V105 HydrophobicContact CD2-CG2 4.46Å; I101-V105 HydrophobicContact CG2-CG2 4.28Å; I101-V105 WeakPolarHBondContact O-CG2 3.36Å; I101-V105 PolarHBondContact O-N 3.36Å; A102-V105 PolarHBondContact O-N 2.95Å; V105-R107 VanDerWaalsContact C-N 3.27Å; V105-R107 PolarHBondContact O-N 3.43Å; V105-D108 CarbonylContact O-C 3.41Å; V105-P109 WeakPolarHBondContact O-CA 3.49Å; V105-P109 VanDerWaalsContact O-N 3.08Å; V105-I111 HydrophobicContact CG2-CG2 4.09Å; V105-L112 HydrophobicContact CG1-CD1 3.8Å; V105-L112 HydrophobicContact CG1-CG 4.29Å; V105-L112 HydrophobicContact CG2-CD2 4.16Å; V105-L112 HydrophobicContact CG2-CG 4.34Å |
| 106 | A | 95.5 | Very high | 95.4 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 23% | 0.231 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.3 | -32.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L62 V66 A102 V103 | L62-A106 HydrophobicContact CD2-CB 3.75Å; V66-A106 HydrophobicContact CG1-CB 3.93Å; A102-A106 WeakPolarHBondContact O-CB 3.42Å; A102-A106 PolarHBondContact O-N 2.83Å; V103-A106 PolarHBondContact O-N 2.72Å |
| 107 | R | 93.9 | Very high | 95.4 | Very high | 133 Ų | 133 | 38.6 Ų | 38.6 | 50% | 0.502 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -76.5 | -44.7 | -179.7 | -178.9 | 176.9 | -176.7 | 94.1 | 2.6 | 112.2 | V103 A104 V105 A142 R143 | V103-R107 WeakPolarHBondContact O-CB 3.43Å; V103-R107 PolarHBondContact O-N 3.37Å; A104-R107 PolarHBondContact O-N 2.9Å; V105-R107 VanDerWaalsContact C-N 3.27Å; V105-R107 PolarHBondContact O-N 3.43Å; R107-A142 VanDerWaalsContact CD-O 3.24Å; R107-A142 WeakPolarHBondContact CD-O 3.41Å; R107-R143 PolarHBondContact NE-O 2.79Å; R107-R143 PolarHBondContact NH2-O 2.97Å; R107-R143 VanDerWaalsContact NH2-O 3.17Å |
| 108 | D | 94.5 | Very high | 95.3 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | trans | -146.5 | 91.2 | 178.9 | -174.5 | -14.6 | 0 | 0 | 0 | 109 | A104 V105 T110 I111 A146 A147 | A104-D108 PolarHBondContact O-N 3.06Å; A104-D108 VanDerWaalsContact O-N 3.09Å; V105-D108 CarbonylContact O-C 3.41Å; D108-T110 PolarHBondContact O-N 3.33Å; D108-T110 VanDerWaalsContact O-N 3.16Å; D108-T110 WeakPolarHBondContact OD1-CB 3.27Å; D108-T110 PolarHBondContact OD1-N 2.86Å; D108-T110 PolarHBondContact OD1-OG1 3.23Å; D108-I111 PolarHBondContact O-N 2.96Å; D108-A146 HydrophobicContact CB-CB 4.02Å; D108-A146 VanDerWaalsContact CG-CB 3.47Å; D108-A146 WeakPolarHBondContact OD2-CA 3.19Å; D108-A146 VanDerWaalsContact OD2-CB 3.23Å; D108-A146 WeakPolarHBondContact OD2-CB 3.37Å; D108-A146 PolarHBondContact OD2-N 2.75Å; D108-A147 PolarHBondContact OD2-N 2.92Å | ||
| 109 | P | 95 | Very high | 95.2 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -63.9 | -23.9 | -174.2 | 30.1 | -40 | 0 | 0 | 0 | 111.6 | V70 E73 L74 V105 I111 L112 | V70-P109 HydrophobicContact CB-CB 4.01Å; V70-P109 HydrophobicContact CB-CG 3.93Å; V70-P109 HydrophobicContact CG2-CB 4.22Å; E73-P109 HydrophobicContact CB-CG 3.8Å; E73-P109 HydrophobicContact CG-CG 4.22Å; E73-P109 WeakPolarHBondContact OE2-CG 3.46Å; L74-P109 HydrophobicContact CD1-CB 3.85Å; L74-P109 HydrophobicContact CD2-CB 4.05Å; L74-P109 VanDerWaalsContact CD2-O 3.25Å; L74-P109 WeakPolarHBondContact CD2-O 3.34Å; L74-P109 HydrophobicContact CG-CB 3.93Å; V105-P109 WeakPolarHBondContact O-CA 3.49Å; V105-P109 VanDerWaalsContact O-N 3.08Å; P109-I111 PolarHBondContact O-N 3.46Å; P109-L112 PolarHBondContact O-N 2.67Å |
| 110 | T | 94.6 | Very high | 95.2 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 20% | 0.202 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -60.5 | -13.4 | -177 | 75 | 0 | 0 | 0 | 0 | 112.9 | D108 L112 T113 | D108-T110 PolarHBondContact O-N 3.33Å; D108-T110 VanDerWaalsContact O-N 3.16Å; D108-T110 WeakPolarHBondContact OD1-CB 3.27Å; D108-T110 PolarHBondContact OD1-N 2.86Å; D108-T110 PolarHBondContact OD1-OG1 3.23Å; T110-L112 PolarHBondContact O-N 3.34Å; T110-T113 WeakPolarHBondContact O-CA 3.5Å; T110-T113 WeakPolarHBondContact O-CB 3.49Å; T110-T113 PolarHBondContact O-N 2.83Å; T110-T113 PolarHBondContact O-OG1 3.07Å |
| 111 | I | 95.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -52.5 | -38.8 | 169.8 | -161.9 | 156.5 | 0 | 0 | 0 | 112.8 | V86 L90 V105 D108 P109 T113 C114 V141 A146 | V86-I111 HydrophobicContact CG1-CG1 3.97Å; V86-I111 WeakPolarHBondContact CG1-O 3.37Å; L90-I111 HydrophobicContact CD1-CD1 4.06Å; L90-I111 HydrophobicContact CD2-CD1 3.94Å; V105-I111 HydrophobicContact CG2-CG2 4.09Å; D108-I111 PolarHBondContact O-N 2.96Å; P109-I111 PolarHBondContact O-N 3.46Å; I111-T113 PolarHBondContact O-N 2.78Å; I111-T113 VanDerWaalsContact O-N 3.11Å; I111-C114 VanDerWaalsContact O-CB 3.24Å; I111-C114 WeakPolarHBondContact O-CB 3.36Å; I111-C114 PolarHBondContact O-N 2.77Å; I111-V141 HydrophobicContact CD1-CG1 3.19Å; I111-A146 HydrophobicContact CB-CB 3.53Å; I111-A146 HydrophobicContact CD1-CB 4.24Å; I111-A146 HydrophobicContact CG1-CB 4.03Å |
| 112 | L | 95.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -66.7 | -14.5 | -180 | -62.2 | 179.5 | 0 | 0 | 0 | 112.6 | Y55 L56 L74 I77 P83 V86 L87 V105 P109 T110 | Y55-L112 HydrophobicContact CE1-CD1 4.23Å; L56-L112 HydrophobicContact CD2-CD1 3.69Å; L74-L112 HydrophobicContact CD1-CD1 3.9Å; I77-L112 HydrophobicContact CD1-CB 4.22Å; P83-L112 HydrophobicContact CB-CB 4.28Å; P83-L112 HydrophobicContact CB-CD2 4.33Å; P83-L112 HydrophobicContact CG-CB 4.35Å; V86-L112 HydrophobicContact CG1-CD2 4.28Å; L87-L112 HydrophobicContact CD2-CD2 3.78Å; L87-L112 HydrophobicContact CG-CD2 4.11Å; V105-L112 HydrophobicContact CG1-CD1 3.8Å; V105-L112 HydrophobicContact CG1-CG 4.29Å; V105-L112 HydrophobicContact CG2-CD2 4.16Å; V105-L112 HydrophobicContact CG2-CG 4.34Å; P109-L112 PolarHBondContact O-N 2.67Å; T110-L112 PolarHBondContact O-N 3.34Å |
| 113 | T | 93.8 | Very high | 95.2 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -94.4 | -3.4 | 174.6 | 77.8 | 0 | 0 | 0 | 0 | 113 | L74 I77 K82 T110 I111 | L74-T113 HydrophobicContact CD2-CG2 3.65Å; I77-T113 HydrophobicContact CD1-CG2 3.95Å; I77-T113 HydrophobicContact CG1-CG2 4.12Å; K82-T113 WeakPolarHBondContact CE-O 3.35Å; K82-T113 PolarHBondContact NZ-O 3Å; T110-T113 WeakPolarHBondContact O-CA 3.5Å; T110-T113 WeakPolarHBondContact O-CB 3.49Å; T110-T113 PolarHBondContact O-N 2.83Å; T110-T113 PolarHBondContact O-OG1 3.07Å; I111-T113 PolarHBondContact O-N 2.78Å; I111-T113 VanDerWaalsContact O-N 3.11Å |
| 114 | C | 93.5 | Very high | 95.2 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -74.2 | 151.9 | -177 | -70.2 | 0 | 0 | 0 | 0 | 112.3 | K82 I111 L120 | K82-C114 WeakPolarHBondContact CE-O 3.11Å; I111-C114 VanDerWaalsContact O-CB 3.24Å; I111-C114 WeakPolarHBondContact O-CB 3.36Å; I111-C114 PolarHBondContact O-N 2.77Å; C114-L120 HydrophobicContact CB-CD1 3.96Å; C114-L120 HydrophobicContact CB-CD2 3.93Å; C114-L120 HydrophobicContact CB-CG 3.9Å |
| 115 | S | 94.7 | Very high | 95.3 | Very high | 31 Ų | 31 | 44.2 Ų | 44.2 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | trans | -86.4 | 118.3 | 168.7 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | R118 T119 L120 | S115-R118 WeakPolarHBondContact OG-CB 3.4Å; S115-R118 PolarHBondContact OG-N 3.44Å; S115-T119 WeakPolarHBondContact O-CA 3.48Å; S115-T119 VanDerWaalsContact O-CB 3.31Å; S115-T119 WeakPolarHBondContact O-CB 3.49Å; S115-T119 PolarHBondContact O-N 2.9Å; S115-L120 PolarHBondContact O-N 3.3Å | ||
| 116 | V | 96 | Very high | 95.3 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -56 | -57.7 | 174.3 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | A85 V86 F89 R118 L120 A121 | A85-V116 HydrophobicContact CB-CG2 4.49Å; V86-V116 HydrophobicContact CG2-CG2 4.02Å; F89-V116 HydrophobicContact CB-CG1 4.02Å; F89-V116 HydrophobicContact CB-CG2 3.99Å; F89-V116 HydrophobicContact CD2-CG1 3.58Å; F89-V116 HydrophobicContact CE2-CG1 4.26Å; F89-V116 HydrophobicContact CG-CG1 3.92Å; F89-V116 HydrophobicContact CG-CG2 4.42Å; V116-R118 PolarHBondContact O-N 3.07Å; V116-L120 HydrophobicContact CG2-CD1 4.29Å; V116-L120 PolarHBondContact O-N 3.22Å; V116-A121 WeakPolarHBondContact O-CB 3.39Å; V116-A121 PolarHBondContact O-N 3.31Å |
| 117 | P | 96.1 | Very high | 95.4 | Very high | 98 Ų | 98 | 46.9 Ų | 46.9 | 64% | 0.636 | 24% | 0.239 | S | C | * | . | I | π-helix | trans | -71 | -28.4 | -174.5 | 27.3 | -36.2 | 0 | 0 | 0 | 114 | P122 | P117-P122 WeakPolarHBondContact O-CD 3.11Å; P117-P122 WeakPolarHBondContact O-CG 3.34Å |
| 118 | R | 94.3 | Very high | 95.6 | Very high | 213 Ų | 213 | 45.1 Ų | 45.1 | 80% | 0.804 | 23% | 0.233 | S | C | * | . | I | π-helix | trans | -93 | -19.4 | -176 | -60.4 | -176.8 | 179.8 | 175.1 | -0 | 114.1 | S115 V116 | S115-R118 WeakPolarHBondContact OG-CB 3.4Å; S115-R118 PolarHBondContact OG-N 3.44Å; V116-R118 PolarHBondContact O-N 3.07Å |
| 119 | T | 93.3 | Very high | 95.7 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -133.9 | -58 | -168.8 | -43.9 | 0 | 0 | 0 | 0 | 112.4 | S115 R123 R150 | S115-T119 WeakPolarHBondContact O-CA 3.48Å; S115-T119 VanDerWaalsContact O-CB 3.31Å; S115-T119 WeakPolarHBondContact O-CB 3.49Å; S115-T119 PolarHBondContact O-N 2.9Å; T119-R123 WeakPolarHBondContact O-CB 3.47Å; T119-R123 PolarHBondContact O-N 2.75Å; T119-R150 HydrophobicContact CG2-CB 3.58Å |
| 120 | L | 95.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -74.3 | -45.7 | -172.1 | -56.8 | -179 | 0 | 0 | 0 | 112.4 | V86 F89 C114 S115 V116 R123 A124 F149 | V86-L120 HydrophobicContact CG1-CD1 4.12Å; V86-L120 HydrophobicContact CG2-CD1 4.28Å; F89-L120 HydrophobicContact CD1-CB 4.01Å; F89-L120 HydrophobicContact CD1-CD1 3.99Å; F89-L120 HydrophobicContact CE1-CB 3.56Å; F89-L120 HydrophobicContact CE1-CD1 4.28Å; F89-L120 HydrophobicContact CZ-CB 3.86Å; C114-L120 HydrophobicContact CB-CD1 3.96Å; C114-L120 HydrophobicContact CB-CD2 3.93Å; C114-L120 HydrophobicContact CB-CG 3.9Å; S115-L120 PolarHBondContact O-N 3.3Å; V116-L120 HydrophobicContact CG2-CD1 4.29Å; V116-L120 PolarHBondContact O-N 3.22Å; L120-R123 PolarHBondContact O-N 3.44Å; L120-A124 WeakPolarHBondContact O-CB 3.34Å; L120-A124 PolarHBondContact O-N 3.03Å; L120-F149 HydrophobicContact CB-CE1 4.49Å; L120-F149 HydrophobicContact CD2-CD1 3.88Å; L120-F149 HydrophobicContact CD2-CE1 4.13Å |
| 121 | A | 96.4 | Very high | 95.9 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.9 | -46.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | F89 V116 R123 A124 E125 | F89-A121 HydrophobicContact CE2-CB 4.05Å; V116-A121 WeakPolarHBondContact O-CB 3.39Å; V116-A121 PolarHBondContact O-N 3.31Å; A121-R123 VanDerWaalsContact C-N 3.31Å; A121-R123 PolarHBondContact O-N 3.36Å; A121-A124 PolarHBondContact O-N 3.01Å; A121-E125 PolarHBondContact O-N 2.83Å |
| 122 | P | 96.2 | Very high | 96 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 36% | 0.357 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 174.8 | -26.4 | 35.8 | 0 | 0 | 0 | 112.8 | P117 E125 E126 | P117-P122 WeakPolarHBondContact O-CD 3.11Å; P117-P122 WeakPolarHBondContact O-CG 3.34Å; P122-E125 PolarHBondContact O-N 3.46Å; P122-E126 WeakPolarHBondContact O-CG 3.48Å; P122-E126 PolarHBondContact O-N 3.22Å |
| 123 | R | 96 | Very high | 96.1 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 11% | 0.109 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.5 | -41 | 177.9 | -170.7 | 71.9 | 64.1 | -152.7 | -6.1 | 112.4 | T119 L120 A121 E125 E126 L127 F149 R150 S151 L154 | T119-R123 WeakPolarHBondContact O-CB 3.47Å; T119-R123 PolarHBondContact O-N 2.75Å; L120-R123 PolarHBondContact O-N 3.44Å; A121-R123 VanDerWaalsContact C-N 3.31Å; A121-R123 PolarHBondContact O-N 3.36Å; R123-E125 PolarHBondContact O-N 2.74Å; R123-E126 WeakPolarHBondContact CD-OE2 3.37Å; R123-E126 IonicContact CZ-OE2 3.47Å; R123-E126 IonicContact NE-OE2 3.77Å; R123-E126 IonicContact NH1-OE1 3.78Å; R123-E126 IonicContact NH1-OE2 2.61Å; R123-E126 PolarHBondContact NH1-OE2 3.36Å; R123-E126 PolarHBondContact O-N 2.86Å; R123-L127 WeakPolarHBondContact O-CG 3.26Å; R123-L127 PolarHBondContact O-N 3.13Å; R123-F149 HydrophobicContact CB-CE1 4.07Å; R123-F149 HydrophobicContact CB-CZ 4.4Å; R123-F149 HydrophobicContact CG-CD1 4.41Å; R123-F149 HydrophobicContact CG-CE1 4.19Å; R123-F149 HydrophobicContact CG-CZ 4.28Å; R123-F149 VanDerWaalsContact CG-O 3.25Å; R123-F149 WeakPolarHBondContact CG-O 3.18Å; R123-F149 PolarHBondContact NE-O 3.11Å; R123-R150 PolarHBondContact NH2-O 3.07Å; R123-R150 VanDerWaalsContact NH2-O 3.15Å; R123-S151 PolarHBondContact NE-O 3.28Å; R123-S151 PolarHBondContact NH2-O 3.45Å; R123-L154 HydrophobicContact CG-CD2 3.74Å |
| 124 | A | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | F89 L94 L120 A121 L127 R128 M137 F149 | F89-A124 HydrophobicContact CZ-CB 3.96Å; L94-A124 HydrophobicContact CD2-CB 4.2Å; L120-A124 WeakPolarHBondContact O-CB 3.34Å; L120-A124 PolarHBondContact O-N 3.03Å; A121-A124 PolarHBondContact O-N 3.01Å; A124-L127 PolarHBondContact O-N 3.19Å; A124-R128 VanDerWaalsContact O-CB 3.28Å; A124-R128 WeakPolarHBondContact O-CB 3.33Å; A124-R128 PolarHBondContact O-N 2.96Å; A124-M137 HydrophobicContact CB-CE 4.28Å; A124-M137 HydrophobicContact CB-SD 3.92Å; A124-F149 HydrophobicContact CB-CZ 4.37Å |
| 125 | E | 96.9 | Very high | 96.4 | Very high | 105 Ų | 105 | 56.9 Ų | 56.9 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 176.1 | -167.9 | 54.7 | -150.6 | 0 | 0 | 112.6 | A121 P122 R123 L127 R128 A129 | A121-E125 PolarHBondContact O-N 2.83Å; P122-E125 PolarHBondContact O-N 3.46Å; R123-E125 PolarHBondContact O-N 2.74Å; E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 3.42Å; E125-R128 WeakPolarHBondContact O-CB 3.34Å; E125-R128 PolarHBondContact O-N 3.31Å; E125-R128 IonicContact OE2-CZ 2.68Å; E125-R128 IonicContact OE2-NH1 2.64Å; E125-R128 PolarHBondContact OE2-NH1 3.34Å; E125-A129 PolarHBondContact O-N 3.09Å |
| 126 | E | 97.2 | Very high | 96.6 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 174.8 | -67.9 | 169.4 | 171.7 | 0 | 0 | 112.4 | P122 R123 A129 L130 V155 | P122-E126 WeakPolarHBondContact O-CG 3.48Å; P122-E126 PolarHBondContact O-N 3.22Å; R123-E126 WeakPolarHBondContact CD-OE2 3.37Å; R123-E126 IonicContact CZ-OE2 3.47Å; R123-E126 IonicContact NE-OE2 3.77Å; R123-E126 IonicContact NH1-OE1 3.78Å; R123-E126 IonicContact NH1-OE2 2.61Å; R123-E126 PolarHBondContact NH1-OE2 3.36Å; R123-E126 PolarHBondContact O-N 2.86Å; E126-A129 PolarHBondContact O-N 3.14Å; E126-L130 PolarHBondContact O-N 2.98Å; E126-V155 HydrophobicContact CB-CG2 3.81Å; E126-V155 WeakPolarHBondContact OE2-CG2 3.39Å |
| 127 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.9 | -38.6 | 175.4 | -71.4 | 176.1 | 0 | 0 | 0 | 111.9 | R123 A124 E125 A129 L130 G131 F132 M137 I140 F149 L154 V158 | R123-L127 WeakPolarHBondContact O-CG 3.26Å; R123-L127 PolarHBondContact O-N 3.13Å; A124-L127 PolarHBondContact O-N 3.19Å; E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 3.42Å; L127-A129 VanDerWaalsContact C-N 3.28Å; L127-A129 PolarHBondContact O-N 2.86Å; L127-L130 WeakPolarHBondContact O-CA 3.46Å; L127-L130 WeakPolarHBondContact O-CB 3.15Å; L127-L130 PolarHBondContact O-N 3.31Å; L127-G131 PolarHBondContact O-N 2.98Å; L127-F132 HydrophobicContact CB-CB 4.31Å; L127-F132 HydrophobicContact CB-CD2 4.31Å; L127-F132 HydrophobicContact CB-CG 4.36Å; L127-F132 HydrophobicContact CD2-CD2 4.33Å; L127-F132 HydrophobicContact CD2-CE2 4.27Å; L127-F132 WeakPolarHBondContact O-CB 3.41Å; L127-F132 VanDerWaalsContact O-CD2 3.24Å; L127-F132 WeakPolarHBondContact O-CD2 3.35Å; L127-F132 PolarHBondContact O-N 3.18Å; L127-M137 HydrophobicContact CB-CG 3.87Å; L127-M137 HydrophobicContact CB-SD 3.58Å; L127-M137 VanDerWaalsContact CB-SD 3.58Å; L127-M137 HydrophobicContact CD1-CB 4.45Å; L127-M137 HydrophobicContact CD1-CG 4Å; L127-M137 HydrophobicContact CD1-SD 4.34Å; L127-I140 HydrophobicContact CD1-CD1 4Å; L127-I140 HydrophobicContact CD2-CD1 4.48Å; L127-F149 HydrophobicContact CD1-CD2 4.33Å; L127-F149 HydrophobicContact CD1-CE2 3.62Å; L127-F149 HydrophobicContact CD1-CZ 4.31Å; L127-L154 HydrophobicContact CD1-CD2 3.88Å; L127-L154 HydrophobicContact CD2-CD2 4.28Å; L127-L154 HydrophobicContact CD2-CG 4.48Å; L127-L154 HydrophobicContact CG-CD2 4.34Å; L127-V158 HydrophobicContact CD2-CG2 4.09Å |
| 128 | R | 97.3 | Very high | 96.6 | Very high | 96 Ų | 96 | 50.7 Ų | 50.7 | 36% | 0.362 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 174.6 | -177.2 | 178.9 | -71.4 | 106.7 | 1.5 | 111 | A124 E125 L130 G131 M137 | A124-R128 VanDerWaalsContact O-CB 3.28Å; A124-R128 WeakPolarHBondContact O-CB 3.33Å; A124-R128 PolarHBondContact O-N 2.96Å; E125-R128 WeakPolarHBondContact O-CB 3.34Å; E125-R128 PolarHBondContact O-N 3.31Å; E125-R128 IonicContact OE2-CZ 2.68Å; E125-R128 IonicContact OE2-NH1 2.64Å; E125-R128 PolarHBondContact OE2-NH1 3.34Å; R128-L130 PolarHBondContact O-N 3.21Å; R128-G131 PolarHBondContact O-N 3.04Å; R128-M137 HydrophobicContact CB-CE 4.45Å; R128-M137 HydrophobicContact CB-SD 4.49Å |
| 129 | A | 97 | Very high | 96.8 | Very high | 84 Ų | 84 | 41.3 Ų | 41.3 | 69% | 0.694 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.3 | -24 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E125 E126 L127 G131 | E125-A129 PolarHBondContact O-N 3.09Å; E126-A129 PolarHBondContact O-N 3.14Å; L127-A129 VanDerWaalsContact C-N 3.28Å; L127-A129 PolarHBondContact O-N 2.86Å; A129-G131 VanDerWaalsContact C-N 3.31Å |
| 130 | L | 96.8 | Very high | 96.9 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2.8 | 172.8 | -63.1 | 174.1 | 0 | 0 | 0 | 113.6 | E126 L127 R128 F132 V155 V158 Q159 V169 | E126-L130 PolarHBondContact O-N 2.98Å; L127-L130 WeakPolarHBondContact O-CA 3.46Å; L127-L130 WeakPolarHBondContact O-CB 3.15Å; L127-L130 PolarHBondContact O-N 3.31Å; R128-L130 PolarHBondContact O-N 3.21Å; L130-F132 HydrophobicContact CB-CD2 4.05Å; L130-F132 HydrophobicContact CB-CE2 4.1Å; L130-V155 HydrophobicContact CD1-CG1 4.25Å; L130-V158 HydrophobicContact CD1-CB 4.33Å; L130-V158 HydrophobicContact CD1-CG1 3.74Å; L130-Q159 HydrophobicContact CD1-CG 4.33Å; L130-Q159 HydrophobicContact CD2-CG 4.23Å; L130-V169 WeakPolarHBondContact O-CG1 3.33Å |
| 131 | G | 97 | Very high | 97 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 53% | 0.526 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 11.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L127 R128 A129 | L127-G131 PolarHBondContact O-N 2.98Å; R128-G131 PolarHBondContact O-N 3.04Å; A129-G131 VanDerWaalsContact C-N 3.31Å |
| 132 | F | 98 | Very high | 96.9 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | trans | -75.2 | 135.9 | 175.7 | -71.1 | -106.2 | 0 | 0 | 0 | 111.4 | L127 L130 Q136 M137 I140 V158 V169 L172 V173 | L127-F132 HydrophobicContact CB-CB 4.31Å; L127-F132 HydrophobicContact CB-CD2 4.31Å; L127-F132 HydrophobicContact CB-CG 4.36Å; L127-F132 HydrophobicContact CD2-CD2 4.33Å; L127-F132 HydrophobicContact CD2-CE2 4.27Å; L127-F132 WeakPolarHBondContact O-CB 3.41Å; L127-F132 VanDerWaalsContact O-CD2 3.24Å; L127-F132 WeakPolarHBondContact O-CD2 3.35Å; L127-F132 PolarHBondContact O-N 3.18Å; L130-F132 HydrophobicContact CB-CD2 4.05Å; L130-F132 HydrophobicContact CB-CE2 4.1Å; F132-Q136 HydrophobicContact CD1-CB 4.12Å; F132-M137 HydrophobicContact CB-CG 3.67Å; F132-M137 HydrophobicContact CB-SD 4.45Å; F132-M137 HydrophobicContact CG-CG 4.47Å; F132-I140 HydrophobicContact CD1-CD1 3.84Å; F132-I140 HydrophobicContact CE1-CD1 3.59Å; F132-I140 HydrophobicContact CZ-CD1 4.35Å; F132-V158 HydrophobicContact CE2-CG1 3.63Å; F132-V158 HydrophobicContact CZ-CG1 3.76Å; F132-V158 HydrophobicContact CZ-CG2 4.35Å; F132-V169 HydrophobicContact CD1-CB 4.24Å; F132-V169 HydrophobicContact CD2-CB 4.14Å; F132-V169 HydrophobicContact CD2-CG1 3.74Å; F132-V169 HydrophobicContact CE1-CB 3.98Å; F132-V169 HydrophobicContact CE1-CG1 4.41Å; F132-V169 HydrophobicContact CE2-CB 3.91Å; F132-V169 HydrophobicContact CE2-CG1 3.42Å; F132-V169 VanDerWaalsContact CE2-CG1 3.42Å; F132-V169 HydrophobicContact CG-CB 4.32Å; F132-V169 HydrophobicContact CG-CG1 4.38Å; F132-V169 HydrophobicContact CZ-CB 3.83Å; F132-V169 HydrophobicContact CZ-CG1 3.81Å; F132-L172 HydrophobicContact CZ-CD2 4.3Å; F132-V173 HydrophobicContact CD1-CG2 4.03Å; F132-V173 HydrophobicContact CE1-CG2 3.67Å | ||
| 133 | T | 97.5 | Very high | 96.9 | Very high | 74 Ų | 74 | 37.7 Ų | 37.7 | 45% | 0.454 | 21% | 0.206 | S | C | . | . | trans | -73.4 | 159.6 | 168.3 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | F135 Q136 M137 | T133-F135 VanDerWaalsContact C-N 3.33Å; T133-F135 PolarHBondContact O-N 3.26Å; T133-Q136 PolarHBondContact O-N 2.84Å; T133-Q136 VanDerWaalsContact O-N 3.14Å; T133-Q136 VanDerWaalsContact OG1-CB 3.32Å; T133-Q136 WeakPolarHBondContact OG1-CB 3.49Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.48Å; T133-Q136 PolarHBondContact OG1-N 3.24Å; T133-Q136 PolarHBondContact OG1-OE1 2.98Å; T133-M137 WeakPolarHBondContact O-CG 3.44Å; T133-M137 PolarHBondContact O-N 3.22Å | ||
| 134 | A | 97.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 13% | 0.132 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -49.2 | -53.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T93 L94 E95 Q136 M137 G138 | T93-A134 WeakPolarHBondContact O-CB 3.47Å; L94-A134 CarbonylContact O-C 3.59Å; E95-A134 HydrophobicContact CB-CB 4.44Å; E95-A134 HydrophobicContact CG-CB 3.93Å; A134-Q136 PolarHBondContact O-N 3.32Å; A134-M137 WeakPolarHBondContact O-CB 3.18Å; A134-M137 PolarHBondContact O-N 3.15Å; A134-G138 PolarHBondContact O-N 3.03Å |
| 135 | F | 96.8 | Very high | 96.7 | Very high | 87 Ų | 87 | 36.9 Ų | 36.9 | 38% | 0.382 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60 | -41.4 | 178.2 | -175.7 | -110.8 | 0 | 0 | 0 | 113.7 | L94 L96 L100 T133 M137 G138 L139 | L94-F135 WeakPolarHBondContact O-CA 3.09Å; L96-F135 HydrophobicContact CD2-CD2 4.45Å; L96-F135 HydrophobicContact CD2-CE2 4.43Å; L100-F135 HydrophobicContact CD1-CE2 3.63Å; L100-F135 HydrophobicContact CD1-CZ 3.97Å; T133-F135 VanDerWaalsContact C-N 3.33Å; T133-F135 PolarHBondContact O-N 3.26Å; F135-M137 PolarHBondContact O-N 3.4Å; F135-G138 CarbonylContact O-C 3.05Å; F135-G138 WeakPolarHBondContact O-CA 3.22Å; F135-G138 PolarHBondContact O-N 3.04Å; F135-L139 HydrophobicContact CD1-CD1 4.02Å; F135-L139 HydrophobicContact CD1-CG 4.31Å; F135-L139 HydrophobicContact CE1-CD1 3.6Å; F135-L139 HydrophobicContact CE1-CD2 4.28Å; F135-L139 HydrophobicContact CE1-CG 3.97Å; F135-L139 HydrophobicContact CZ-CD1 4.19Å; F135-L139 HydrophobicContact CZ-CD2 4Å; F135-L139 HydrophobicContact CZ-CG 4.14Å; F135-L139 WeakPolarHBondContact O-CG 3.38Å; F135-L139 PolarHBondContact O-N 3.49Å |
| 136 | Q | 97.5 | Very high | 96.4 | Very high | 30 Ų | 30 | 32 Ų | 32 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 177.6 | -79.3 | 168.8 | -23.5 | 0 | 0 | 112.6 | F132 T133 A134 G138 L139 I140 V173 | F132-Q136 HydrophobicContact CD1-CB 4.12Å; T133-Q136 PolarHBondContact O-N 2.84Å; T133-Q136 VanDerWaalsContact O-N 3.14Å; T133-Q136 VanDerWaalsContact OG1-CB 3.32Å; T133-Q136 WeakPolarHBondContact OG1-CB 3.49Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.48Å; T133-Q136 PolarHBondContact OG1-N 3.24Å; T133-Q136 PolarHBondContact OG1-OE1 2.98Å; A134-Q136 PolarHBondContact O-N 3.32Å; Q136-G138 VanDerWaalsContact C-N 3.33Å; Q136-L139 WeakPolarHBondContact O-CB 3.47Å; Q136-L139 PolarHBondContact O-N 3.46Å; Q136-I140 PolarHBondContact O-N 3.35Å; Q136-I140 VanDerWaalsContact O-N 3.11Å; Q136-V173 HydrophobicContact CB-CG2 4.01Å; Q136-V173 HydrophobicContact CG-CG1 4.39Å; Q136-V173 HydrophobicContact CG-CG2 4.12Å |
| 137 | M | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 172.8 | -65.1 | -173.3 | -72 | 0 | 0 | 111.1 | L94 A124 L127 R128 F132 T133 A134 F135 L139 I140 V141 | L94-M137 HydrophobicContact CD2-CB 3.96Å; L94-M137 HydrophobicContact CD2-CE 4.12Å; A124-M137 HydrophobicContact CB-CE 4.28Å; A124-M137 HydrophobicContact CB-SD 3.92Å; L127-M137 HydrophobicContact CB-CG 3.87Å; L127-M137 HydrophobicContact CB-SD 3.58Å; L127-M137 VanDerWaalsContact CB-SD 3.58Å; L127-M137 HydrophobicContact CD1-CB 4.45Å; L127-M137 HydrophobicContact CD1-CG 4Å; L127-M137 HydrophobicContact CD1-SD 4.34Å; R128-M137 HydrophobicContact CB-CE 4.45Å; R128-M137 HydrophobicContact CB-SD 4.49Å; F132-M137 HydrophobicContact CB-CG 3.67Å; F132-M137 HydrophobicContact CB-SD 4.45Å; F132-M137 HydrophobicContact CG-CG 4.47Å; T133-M137 WeakPolarHBondContact O-CG 3.44Å; T133-M137 PolarHBondContact O-N 3.22Å; A134-M137 WeakPolarHBondContact O-CB 3.18Å; A134-M137 PolarHBondContact O-N 3.15Å; F135-M137 PolarHBondContact O-N 3.4Å; M137-L139 VanDerWaalsContact C-N 3.29Å; M137-L139 PolarHBondContact O-N 3.39Å; M137-I140 WeakPolarHBondContact O-CB 3.38Å; M137-I140 PolarHBondContact O-N 3.29Å; M137-I140 VanDerWaalsContact O-N 3.13Å; M137-V141 PolarHBondContact O-N 3.35Å; M137-V141 VanDerWaalsContact O-N 3.17Å |
| 138 | G | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.7 | -40.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A134 F135 Q136 I140 V141 A142 | A134-G138 PolarHBondContact O-N 3.03Å; F135-G138 CarbonylContact O-C 3.05Å; F135-G138 WeakPolarHBondContact O-CA 3.22Å; F135-G138 PolarHBondContact O-N 3.04Å; Q136-G138 VanDerWaalsContact C-N 3.33Å; G138-I140 VanDerWaalsContact C-N 3.33Å; G138-I140 PolarHBondContact O-N 3.46Å; G138-V141 WeakPolarHBondContact O-CB 3.4Å; G138-V141 PolarHBondContact O-N 3.34Å; G138-A142 PolarHBondContact O-N 3.02Å |
| 139 | L | 97 | Very high | 96 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 8% | 0.084 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.5 | -33.2 | 175.7 | -70 | 178.7 | 0 | 0 | 0 | 112.9 | L100 F135 Q136 M137 V141 A142 R143 V173 | L100-L139 HydrophobicContact CD1-CD2 4.36Å; F135-L139 HydrophobicContact CD1-CD1 4.02Å; F135-L139 HydrophobicContact CD1-CG 4.31Å; F135-L139 HydrophobicContact CE1-CD1 3.6Å; F135-L139 HydrophobicContact CE1-CD2 4.28Å; F135-L139 HydrophobicContact CE1-CG 3.97Å; F135-L139 HydrophobicContact CZ-CD1 4.19Å; F135-L139 HydrophobicContact CZ-CD2 4Å; F135-L139 HydrophobicContact CZ-CG 4.14Å; F135-L139 WeakPolarHBondContact O-CG 3.38Å; F135-L139 PolarHBondContact O-N 3.49Å; Q136-L139 WeakPolarHBondContact O-CB 3.47Å; Q136-L139 PolarHBondContact O-N 3.46Å; M137-L139 VanDerWaalsContact C-N 3.29Å; M137-L139 PolarHBondContact O-N 3.39Å; L139-V141 VanDerWaalsContact C-N 3.35Å; L139-A142 PolarHBondContact O-N 3.09Å; L139-R143 WeakPolarHBondContact O-CB 3.47Å; L139-R143 WeakPolarHBondContact O-CG 3.34Å; L139-R143 PolarHBondContact O-N 3.36Å; L139-V173 HydrophobicContact CB-CG1 3.94Å; L139-V173 HydrophobicContact CD1-CG1 3.72Å |
| 140 | I | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 172.2 | -66 | 169.2 | 0 | 0 | 0 | 109.7 | L127 F132 Q136 M137 G138 A142 R143 C144 F149 L154 L176 L183 | L127-I140 HydrophobicContact CD1-CD1 4Å; L127-I140 HydrophobicContact CD2-CD1 4.48Å; F132-I140 HydrophobicContact CD1-CD1 3.84Å; F132-I140 HydrophobicContact CE1-CD1 3.59Å; F132-I140 HydrophobicContact CZ-CD1 4.35Å; Q136-I140 PolarHBondContact O-N 3.35Å; Q136-I140 VanDerWaalsContact O-N 3.11Å; M137-I140 WeakPolarHBondContact O-CB 3.38Å; M137-I140 PolarHBondContact O-N 3.29Å; M137-I140 VanDerWaalsContact O-N 3.13Å; G138-I140 VanDerWaalsContact C-N 3.33Å; G138-I140 PolarHBondContact O-N 3.46Å; I140-A142 PolarHBondContact O-N 3.11Å; I140-R143 PolarHBondContact O-N 2.68Å; I140-C144 HydrophobicContact CG2-CB 4.35Å; I140-C144 VanDerWaalsContact O-CB 3.28Å; I140-C144 WeakPolarHBondContact O-CB 3.48Å; I140-C144 PolarHBondContact O-N 3.23Å; I140-F149 HydrophobicContact CB-CD2 4.49Å; I140-F149 HydrophobicContact CG2-CD2 4.08Å; I140-L154 HydrophobicContact CG2-CD1 4.26Å; I140-L176 HydrophobicContact CG1-CD1 3.91Å; I140-L183 HydrophobicContact CG2-CD1 4.35Å |
| 141 | V | 96.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.2 | -51.9 | 176.1 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | L90 L94 A104 I111 M137 G138 L139 R143 G145 F149 | L90-V141 HydrophobicContact CD2-CG1 4.15Å; L94-V141 HydrophobicContact CD1-CG2 3.84Å; A104-V141 HydrophobicContact CB-CG1 4.11Å; I111-V141 HydrophobicContact CD1-CG1 3.19Å; M137-V141 PolarHBondContact O-N 3.35Å; M137-V141 VanDerWaalsContact O-N 3.17Å; G138-V141 WeakPolarHBondContact O-CB 3.4Å; G138-V141 PolarHBondContact O-N 3.34Å; L139-V141 VanDerWaalsContact C-N 3.35Å; V141-R143 VanDerWaalsContact C-N 3.33Å; V141-R143 PolarHBondContact O-N 3.23Å; V141-G145 WeakPolarHBondContact O-CA 3.45Å; V141-G145 PolarHBondContact O-N 3.37Å; V141-F149 HydrophobicContact CG2-CB 4.14Å; V141-F149 HydrophobicContact CG2-CD1 4Å; V141-F149 HydrophobicContact CG2-CD2 3.39Å; V141-F149 HydrophobicContact CG2-CE1 4.23Å; V141-F149 HydrophobicContact CG2-CE2 3.65Å; V141-F149 HydrophobicContact CG2-CG 3.57Å; V141-F149 HydrophobicContact CG2-CZ 4.07Å |
| 142 | A | 95.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 5% | 0.05 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -32 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | A104 R107 G138 L139 I140 | A104-A142 HydrophobicContact CB-CB 4.19Å; R107-A142 VanDerWaalsContact CD-O 3.24Å; R107-A142 WeakPolarHBondContact CD-O 3.41Å; G138-A142 PolarHBondContact O-N 3.02Å; L139-A142 PolarHBondContact O-N 3.09Å; I140-A142 PolarHBondContact O-N 3.11Å |
| 143 | R | 95.4 | Very high | 95.3 | Very high | 57 Ų | 57 | 38.1 Ų | 38.1 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -94.8 | -34.3 | -174.5 | -67.2 | 172.6 | -177.9 | 170.8 | 5.6 | 113.8 | R107 L139 I140 V141 V173 L176 P180 | R107-R143 PolarHBondContact NE-O 2.79Å; R107-R143 PolarHBondContact NH2-O 2.97Å; R107-R143 VanDerWaalsContact NH2-O 3.17Å; L139-R143 WeakPolarHBondContact O-CB 3.47Å; L139-R143 WeakPolarHBondContact O-CG 3.34Å; L139-R143 PolarHBondContact O-N 3.36Å; I140-R143 PolarHBondContact O-N 2.68Å; V141-R143 VanDerWaalsContact C-N 3.33Å; V141-R143 PolarHBondContact O-N 3.23Å; R143-V173 PolarHBondContact NH1-O 2.89Å; R143-L176 HydrophobicContact CB-CB 4.26Å; R143-P180 WeakPolarHBondContact O-CB 3.37Å; R143-P180 WeakPolarHBondContact O-CG 3.44Å |
| 144 | C | 95.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 7% | 0.068 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -101.9 | -20.4 | -175.9 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | I140 A148 T184 | I140-C144 HydrophobicContact CG2-CB 4.35Å; I140-C144 VanDerWaalsContact O-CB 3.28Å; I140-C144 WeakPolarHBondContact O-CB 3.48Å; I140-C144 PolarHBondContact O-N 3.23Å; C144-A148 HydrophobicContact CB-CB 3.65Å; C144-A148 WeakPolarHBondContact O-CB 3.45Å; C144-T184 HydrophobicContact CB-CG2 3.92Å |
| 145 | G | 93.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | trans | 90.2 | 165.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V141 A148 F149 | V141-G145 WeakPolarHBondContact O-CA 3.45Å; V141-G145 PolarHBondContact O-N 3.37Å; G145-A148 PolarHBondContact O-N 3.31Å; G145-F149 PolarHBondContact O-N 2.98Å; G145-F149 VanDerWaalsContact O-N 3.12Å | ||
| 146 | A | 91.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D108 I111 A148 F149 R150 | D108-A146 HydrophobicContact CB-CB 4.02Å; D108-A146 VanDerWaalsContact CG-CB 3.47Å; D108-A146 WeakPolarHBondContact OD2-CA 3.19Å; D108-A146 VanDerWaalsContact OD2-CB 3.23Å; D108-A146 WeakPolarHBondContact OD2-CB 3.37Å; D108-A146 PolarHBondContact OD2-N 2.75Å; I111-A146 HydrophobicContact CB-CB 3.53Å; I111-A146 HydrophobicContact CD1-CB 4.24Å; I111-A146 HydrophobicContact CG1-CB 4.03Å; A146-A148 VanDerWaalsContact C-N 3.29Å; A146-A148 PolarHBondContact O-N 3.28Å; A146-F149 PolarHBondContact O-N 2.74Å; A146-R150 VanDerWaalsContact O-CG 3.22Å; A146-R150 WeakPolarHBondContact O-CG 3.37Å; A146-R150 PolarHBondContact O-N 2.92Å |
| 147 | A | 92.9 | Very high | 95.2 | Very high | 48 Ų | 48 | 32 Ų | 32 | 40% | 0.397 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -56.5 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D108 R150 S151 | D108-A147 PolarHBondContact OD2-N 2.92Å; A147-R150 WeakPolarHBondContact O-CG 3.39Å; A147-S151 WeakPolarHBondContact O-CB 3.23Å; A147-S151 PolarHBondContact O-N 3.42Å; A147-S151 VanDerWaalsContact O-N 3.15Å |
| 148 | A | 94.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 32 Ų | 32 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.3 | -47.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C144 G145 A146 R150 S151 T184 | C144-A148 HydrophobicContact CB-CB 3.65Å; C144-A148 WeakPolarHBondContact O-CB 3.45Å; G145-A148 PolarHBondContact O-N 3.31Å; A146-A148 VanDerWaalsContact C-N 3.29Å; A146-A148 PolarHBondContact O-N 3.28Å; A148-R150 PolarHBondContact O-N 3.39Å; A148-S151 WeakPolarHBondContact O-CB 3.34Å; A148-S151 PolarHBondContact O-N 2.91Å; A148-T184 HydrophobicContact CB-CG2 3.64Å |
| 149 | F | 95.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | -179.6 | -168.4 | -98.6 | 0 | 0 | 0 | 111.9 | L94 L120 R123 A124 L127 I140 V141 G145 A146 S151 L154 | L94-F149 HydrophobicContact CD1-CZ 4.47Å; L120-F149 HydrophobicContact CB-CE1 4.49Å; L120-F149 HydrophobicContact CD2-CD1 3.88Å; L120-F149 HydrophobicContact CD2-CE1 4.13Å; R123-F149 HydrophobicContact CB-CE1 4.07Å; R123-F149 HydrophobicContact CB-CZ 4.4Å; R123-F149 HydrophobicContact CG-CD1 4.41Å; R123-F149 HydrophobicContact CG-CE1 4.19Å; R123-F149 HydrophobicContact CG-CZ 4.28Å; R123-F149 VanDerWaalsContact CG-O 3.25Å; R123-F149 WeakPolarHBondContact CG-O 3.18Å; R123-F149 PolarHBondContact NE-O 3.11Å; A124-F149 HydrophobicContact CB-CZ 4.37Å; L127-F149 HydrophobicContact CD1-CD2 4.33Å; L127-F149 HydrophobicContact CD1-CE2 3.62Å; L127-F149 HydrophobicContact CD1-CZ 4.31Å; I140-F149 HydrophobicContact CB-CD2 4.49Å; I140-F149 HydrophobicContact CG2-CD2 4.08Å; V141-F149 HydrophobicContact CG2-CB 4.14Å; V141-F149 HydrophobicContact CG2-CD1 4Å; V141-F149 HydrophobicContact CG2-CD2 3.39Å; V141-F149 HydrophobicContact CG2-CE1 4.23Å; V141-F149 HydrophobicContact CG2-CE2 3.65Å; V141-F149 HydrophobicContact CG2-CG 3.57Å; V141-F149 HydrophobicContact CG2-CZ 4.07Å; G145-F149 PolarHBondContact O-N 2.98Å; G145-F149 VanDerWaalsContact O-N 3.12Å; A146-F149 PolarHBondContact O-N 2.74Å; F149-S151 VanDerWaalsContact C-N 3.31Å; F149-S151 PolarHBondContact O-N 3.22Å; F149-L154 HydrophobicContact CD2-CD2 4.12Å; F149-L154 WeakPolarHBondContact O-CD2 3.2Å |
| 150 | R | 92.5 | Very high | 95.4 | Very high | 122 Ų | 122 | 37.5 Ų | 37.5 | 46% | 0.46 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -76 | -17.4 | 179.4 | 70.9 | -164.2 | 179.7 | 79.7 | 0.6 | 114 | T119 R123 A146 A147 A148 | T119-R150 HydrophobicContact CG2-CB 3.58Å; R123-R150 PolarHBondContact NH2-O 3.07Å; R123-R150 VanDerWaalsContact NH2-O 3.15Å; A146-R150 VanDerWaalsContact O-CG 3.22Å; A146-R150 WeakPolarHBondContact O-CG 3.37Å; A146-R150 PolarHBondContact O-N 2.92Å; A147-R150 WeakPolarHBondContact O-CG 3.39Å; A148-R150 PolarHBondContact O-N 3.39Å |
| 151 | S | 93.6 | Very high | 95.4 | Very high | 48 Ų | 48 | 37.6 Ų | 37.6 | 34% | 0.336 | 19% | 0.19 | S | C | . | . | trans | -60 | 138.5 | -175.7 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | R123 A147 A148 F149 A153 L154 | R123-S151 PolarHBondContact NE-O 3.28Å; R123-S151 PolarHBondContact NH2-O 3.45Å; A147-S151 WeakPolarHBondContact O-CB 3.23Å; A147-S151 PolarHBondContact O-N 3.42Å; A147-S151 VanDerWaalsContact O-N 3.15Å; A148-S151 WeakPolarHBondContact O-CB 3.34Å; A148-S151 PolarHBondContact O-N 2.91Å; F149-S151 VanDerWaalsContact C-N 3.31Å; F149-S151 PolarHBondContact O-N 3.22Å; S151-A153 PolarHBondContact O-N 3.03Å; S151-A153 PolarHBondContact OG-N 3.2Å; S151-A153 VanDerWaalsContact OG-N 3.12Å; S151-L154 WeakPolarHBondContact O-CB 3.4Å; S151-L154 PolarHBondContact O-N 3.14Å | ||
| 152 | R | 93.5 | Very high | 95.5 | Very high | 225 Ų | 225 | 38.6 Ų | 38.6 | 85% | 0.849 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.4 | 171.1 | -66.4 | -177.4 | 179.4 | 171.6 | -0.8 | 112.6 | L154 P156 | R152-L154 VanDerWaalsContact C-N 3.34Å; R152-P156 WeakPolarHBondContact O-CD 3.48Å |
| 153 | A | 94.6 | Very high | 95.6 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 36% | 0.355 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -13.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S151 V155 P156 S157 | S151-A153 PolarHBondContact O-N 3.03Å; S151-A153 PolarHBondContact OG-N 3.2Å; S151-A153 VanDerWaalsContact OG-N 3.12Å; A153-V155 PolarHBondContact O-N 3.29Å; A153-P156 WeakPolarHBondContact O-CD 3.3Å; A153-S157 WeakPolarHBondContact O-CB 3.18Å; A153-S157 PolarHBondContact O-N 3.02Å; A153-S157 PolarHBondContact O-OG 2.91Å; A153-S157 VanDerWaalsContact O-OG 3.07Å |
| 154 | L | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.4 | -53.2 | -174.5 | -179.1 | 64.9 | 0 | 0 | 0 | 112.3 | R123 L127 I140 F149 S151 R152 S157 V158 L183 | R123-L154 HydrophobicContact CG-CD2 3.74Å; L127-L154 HydrophobicContact CD1-CD2 3.88Å; L127-L154 HydrophobicContact CD2-CD2 4.28Å; L127-L154 HydrophobicContact CD2-CG 4.48Å; L127-L154 HydrophobicContact CG-CD2 4.34Å; I140-L154 HydrophobicContact CG2-CD1 4.26Å; F149-L154 HydrophobicContact CD2-CD2 4.12Å; F149-L154 WeakPolarHBondContact O-CD2 3.2Å; S151-L154 WeakPolarHBondContact O-CB 3.4Å; S151-L154 PolarHBondContact O-N 3.14Å; R152-L154 VanDerWaalsContact C-N 3.34Å; L154-S157 PolarHBondContact O-N 3.38Å; L154-V158 HydrophobicContact CD1-CG2 4.45Å; L154-V158 WeakPolarHBondContact O-CG2 3.36Å; L154-V158 PolarHBondContact O-N 3.32Å; L154-L183 HydrophobicContact CD1-CB 4.27Å; L154-L183 HydrophobicContact CD1-CD1 3.97Å |
| 155 | V | 97 | Very high | 95.8 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 13% | 0.127 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | -178.4 | 168.3 | 0 | 0 | 0 | 0 | 111.6 | E126 L130 A153 S157 V158 Q159 | E126-V155 HydrophobicContact CB-CG2 3.81Å; E126-V155 WeakPolarHBondContact OE2-CG2 3.39Å; L130-V155 HydrophobicContact CD1-CG1 4.25Å; A153-V155 PolarHBondContact O-N 3.29Å; V155-S157 VanDerWaalsContact C-N 3.3Å; V155-S157 PolarHBondContact O-N 3.48Å; V155-V158 PolarHBondContact O-N 2.85Å; V155-Q159 HydrophobicContact CG1-CG 4.35Å; V155-Q159 WeakPolarHBondContact O-CB 3.19Å; V155-Q159 WeakPolarHBondContact O-CG 3.47Å; V155-Q159 PolarHBondContact O-N 3.26Å |
| 156 | P | 97.5 | Very high | 95.9 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 35% | 0.351 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -54 | -41.5 | 171.3 | -29.9 | 35 | 0 | 0 | 0 | 114.4 | R152 A153 Q159 F160 L187 | R152-P156 WeakPolarHBondContact O-CD 3.48Å; A153-P156 WeakPolarHBondContact O-CD 3.3Å; P156-Q159 PolarHBondContact O-N 3.09Å; P156-F160 WeakPolarHBondContact O-CB 3.49Å; P156-F160 PolarHBondContact O-N 2.89Å; P156-L187 HydrophobicContact CB-CD2 3.78Å |
| 157 | S | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 177.8 | -65 | 0 | 0 | 0 | 0 | 111.9 | A153 L154 V155 F160 W161 | A153-S157 WeakPolarHBondContact O-CB 3.18Å; A153-S157 PolarHBondContact O-N 3.02Å; A153-S157 PolarHBondContact O-OG 2.91Å; A153-S157 VanDerWaalsContact O-OG 3.07Å; L154-S157 PolarHBondContact O-N 3.38Å; V155-S157 VanDerWaalsContact C-N 3.3Å; V155-S157 PolarHBondContact O-N 3.48Å; S157-F160 WeakPolarHBondContact O-CB 3.24Å; S157-F160 PolarHBondContact O-N 3.48Å; S157-W161 PolarHBondContact O-N 3.03Å |
| 158 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -50.8 | 173.4 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | L127 L130 F132 L154 V155 F160 W161 L162 L172 L183 | L127-V158 HydrophobicContact CD2-CG2 4.09Å; L130-V158 HydrophobicContact CD1-CB 4.33Å; L130-V158 HydrophobicContact CD1-CG1 3.74Å; F132-V158 HydrophobicContact CE2-CG1 3.63Å; F132-V158 HydrophobicContact CZ-CG1 3.76Å; F132-V158 HydrophobicContact CZ-CG2 4.35Å; L154-V158 HydrophobicContact CD1-CG2 4.45Å; L154-V158 WeakPolarHBondContact O-CG2 3.36Å; L154-V158 PolarHBondContact O-N 3.32Å; V155-V158 PolarHBondContact O-N 2.85Å; V158-F160 PolarHBondContact O-N 3.37Å; V158-W161 PolarHBondContact O-N 2.93Å; V158-L162 HydrophobicContact CG1-CD1 3.96Å; V158-L162 HydrophobicContact CG1-CG 4.1Å; V158-L162 WeakPolarHBondContact O-CG 3.43Å; V158-L162 PolarHBondContact O-N 3.1Å; V158-L162 VanDerWaalsContact O-N 3.08Å; V158-L172 HydrophobicContact CB-CD2 4.48Å; V158-L172 HydrophobicContact CG1-CD2 4.2Å; V158-L172 HydrophobicContact CG2-CD2 4.25Å; V158-L183 HydrophobicContact CG2-CD1 4.2Å; V158-L183 HydrophobicContact CG2-CD2 3.83Å |
| 159 | Q | 97.5 | Very high | 96.4 | Very high | 103 Ų | 103 | 56.7 Ų | 56.7 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -31.9 | 179.8 | -73.6 | 175.4 | -31.8 | 0 | 0 | 112.7 | L130 V155 P156 P163 | L130-Q159 HydrophobicContact CD1-CG 4.33Å; L130-Q159 HydrophobicContact CD2-CG 4.23Å; V155-Q159 HydrophobicContact CG1-CG 4.35Å; V155-Q159 WeakPolarHBondContact O-CB 3.19Å; V155-Q159 WeakPolarHBondContact O-CG 3.47Å; V155-Q159 PolarHBondContact O-N 3.26Å; P156-Q159 PolarHBondContact O-N 3.09Å; Q159-P163 WeakPolarHBondContact O-CD 3.3Å |
| 160 | F | 98.1 | Very high | 96.5 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 173.6 | 173.3 | -103.3 | 0 | 0 | 0 | 112.9 | P156 S157 V158 Y164 L187 V190 K191 V194 | P156-F160 WeakPolarHBondContact O-CB 3.49Å; P156-F160 PolarHBondContact O-N 2.89Å; S157-F160 WeakPolarHBondContact O-CB 3.24Å; S157-F160 PolarHBondContact O-N 3.48Å; V158-F160 PolarHBondContact O-N 3.37Å; F160-Y164 HydrophobicContact CD2-CE2 4.45Å; F160-Y164 HydrophobicContact CE1-CE2 4.17Å; F160-Y164 AromaticContact CE2-CE2 3.93Å; F160-Y164 HydrophobicContact CE2-CE2 3.93Å; F160-Y164 AromaticContact CZ-CE2 3.79Å; F160-Y164 HydrophobicContact CZ-CE2 3.79Å; F160-Y164 WeakPolarHBondContact O-CD2 3.22Å; F160-L187 HydrophobicContact CB-CD1 3.88Å; F160-L187 HydrophobicContact CD1-CD1 3.91Å; F160-L187 HydrophobicContact CD2-CD1 4.49Å; F160-L187 HydrophobicContact CG-CD1 3.82Å; F160-V190 HydrophobicContact CD1-CG1 4.19Å; F160-V190 HydrophobicContact CE1-CG1 3.52Å; F160-V190 HydrophobicContact CZ-CG1 4.17Å; F160-K191 HydrophobicContact CD2-CG 3.97Å; F160-K191 HydrophobicContact CE2-CG 3.59Å; F160-K191 HydrophobicContact CZ-CG 4.1Å; F160-V194 HydrophobicContact CE1-CG2 4.29Å; F160-V194 HydrophobicContact CZ-CB 4.16Å; F160-V194 HydrophobicContact CZ-CG1 4.32Å; F160-V194 HydrophobicContact CZ-CG2 4.01Å |
| 161 | W | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -80.9 | -28.1 | -177.4 | -70.2 | 116.3 | 0 | 0 | 0 | 114.5 | S157 V158 Y164 L165 L172 L182 V190 V194 V208 A212 L220 | S157-W161 PolarHBondContact O-N 3.03Å; V158-W161 PolarHBondContact O-N 2.93Å; W161-Y164 HydrophobicContact CE3-CD2 4.08Å; W161-Y164 HydrophobicContact CZ3-CD2 4.42Å; W161-Y164 PolarHBondContact O-N 2.88Å; W161-L165 HydrophobicContact CB-CD1 4.35Å; W161-L165 WeakPolarHBondContact O-CG 3.27Å; W161-L165 PolarHBondContact O-N 3.42Å; W161-L165 VanDerWaalsContact O-N 3.13Å; W161-L172 HydrophobicContact CB-CD1 4.09Å; W161-L172 HydrophobicContact CB-CD2 4.31Å; W161-L172 HydrophobicContact CG-CD1 4.21Å; W161-L182 HydrophobicContact CD2-CD2 4.49Å; W161-L182 HydrophobicContact CH2-CD2 3.93Å; W161-L182 HydrophobicContact CZ2-CD2 3.49Å; W161-L182 VanDerWaalsContact CZ2-CD2 3.49Å; W161-L182 PolarHBondContact NE1-O 3.03Å; W161-V190 HydrophobicContact CH2-CG1 3.92Å; W161-V190 HydrophobicContact CZ2-CG1 3.48Å; W161-V190 VanDerWaalsContact CZ2-CG1 3.48Å; W161-V194 HydrophobicContact CH2-CG2 4.06Å; W161-V194 HydrophobicContact CZ3-CG2 4.43Å; W161-V208 HydrophobicContact CZ3-CG1 4.08Å; W161-A212 HydrophobicContact CE3-CB 4.41Å; W161-A212 HydrophobicContact CZ3-CB 4.41Å; W161-L220 HydrophobicContact CH2-CB 3.87Å; W161-L220 HydrophobicContact CH2-CD1 3.85Å; W161-L220 HydrophobicContact CH2-CG 4.45Å; W161-L220 HydrophobicContact CZ3-CD1 3.85Å |
| 162 | L | 97.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57 | -42.7 | -174.6 | -73.5 | 178.4 | 0 | 0 | 0 | 114.1 | V158 Y164 L165 R166 G167 V169 | V158-L162 HydrophobicContact CG1-CD1 3.96Å; V158-L162 HydrophobicContact CG1-CG 4.1Å; V158-L162 WeakPolarHBondContact O-CG 3.43Å; V158-L162 PolarHBondContact O-N 3.1Å; V158-L162 VanDerWaalsContact O-N 3.08Å; L162-Y164 PolarHBondContact O-N 3.24Å; L162-L165 CarbonylContact O-C 3.55Å; L162-L165 PolarHBondContact O-N 3.12Å; L162-L165 VanDerWaalsContact O-N 3.17Å; L162-R166 PolarHBondContact O-N 3.07Å; L162-G167 PolarHBondContact O-N 3.23Å; L162-V169 HydrophobicContact CD2-CG1 3.78Å |
| 163 | P | 97.6 | Very high | 97.1 | Very high | 90 Ų | 90 | 44.2 Ų | 44.2 | 58% | 0.584 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -56.1 | -49.6 | 175.1 | -28.2 | 36.1 | 0 | 0 | 0 | 113.3 | Q159 L165 R166 | Q159-P163 WeakPolarHBondContact O-CD 3.3Å; P163-L165 PolarHBondContact O-N 2.86Å; P163-R166 PolarHBondContact O-N 3.47Å |
| 164 | Y | 97.5 | Very high | 97.1 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 14% | 0.137 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61 | -30.5 | 177.8 | -61 | -66.5 | 0 | 0 | 0 | 112.8 | F160 W161 L162 V194 D205 V208 G209 | F160-Y164 HydrophobicContact CD2-CE2 4.45Å; F160-Y164 HydrophobicContact CE1-CE2 4.17Å; F160-Y164 AromaticContact CE2-CE2 3.93Å; F160-Y164 HydrophobicContact CE2-CE2 3.93Å; F160-Y164 AromaticContact CZ-CE2 3.79Å; F160-Y164 HydrophobicContact CZ-CE2 3.79Å; F160-Y164 WeakPolarHBondContact O-CD2 3.22Å; W161-Y164 HydrophobicContact CE3-CD2 4.08Å; W161-Y164 HydrophobicContact CZ3-CD2 4.42Å; W161-Y164 PolarHBondContact O-N 2.88Å; L162-Y164 PolarHBondContact O-N 3.24Å; Y164-V194 HydrophobicContact CE2-CG1 4.47Å; Y164-D205 HydrophobicContact CD1-CB 3.87Å; Y164-D205 HydrophobicContact CE1-CB 4.16Å; Y164-V208 HydrophobicContact CD1-CB 3.75Å; Y164-V208 HydrophobicContact CD1-CG1 3.7Å; Y164-V208 HydrophobicContact CD1-CG2 4.48Å; Y164-V208 HydrophobicContact CD2-CG1 4.2Å; Y164-V208 HydrophobicContact CE1-CB 4.1Å; Y164-V208 HydrophobicContact CE1-CG1 3.98Å; Y164-V208 HydrophobicContact CE1-CG2 4.36Å; Y164-V208 HydrophobicContact CE2-CG1 4.44Å; Y164-V208 HydrophobicContact CG-CB 4.28Å; Y164-V208 HydrophobicContact CG-CG1 3.81Å; Y164-G209 WeakPolarHBondContact O-CA 3.49Å |
| 165 | L | 97.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 8.3 | 178.9 | -61.1 | 176.3 | 0 | 0 | 0 | 113.4 | W161 L162 P163 G167 R168 K171 L172 A212 I213 | W161-L165 HydrophobicContact CB-CD1 4.35Å; W161-L165 WeakPolarHBondContact O-CG 3.27Å; W161-L165 PolarHBondContact O-N 3.42Å; W161-L165 VanDerWaalsContact O-N 3.13Å; L162-L165 CarbonylContact O-C 3.55Å; L162-L165 PolarHBondContact O-N 3.12Å; L162-L165 VanDerWaalsContact O-N 3.17Å; P163-L165 PolarHBondContact O-N 2.86Å; L165-G167 VanDerWaalsContact C-N 3.3Å; L165-G167 PolarHBondContact O-N 2.94Å; L165-R168 VanDerWaalsContact O-CB 3.25Å; L165-R168 WeakPolarHBondContact O-CB 3.37Å; L165-R168 WeakPolarHBondContact O-CG 3.46Å; L165-R168 PolarHBondContact O-N 2.99Å; L165-K171 HydrophobicContact CD2-CB 4.35Å; L165-L172 HydrophobicContact CD1-CB 3.6Å; L165-L172 HydrophobicContact CD1-CD1 4.12Å; L165-L172 HydrophobicContact CD1-CG 4.37Å; L165-A212 HydrophobicContact CD2-CB 4.29Å; L165-I213 HydrophobicContact CD2-CG2 3.78Å |
| 166 | R | 96.1 | Very high | 97.1 | Very high | 201 Ų | 201 | 44.6 Ų | 44.6 | 76% | 0.758 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 42.4 | -178.4 | -53.6 | -179 | -176 | 144.7 | 2.5 | 112.8 | L162 P163 R168 | L162-R166 PolarHBondContact O-N 3.07Å; P163-R166 PolarHBondContact O-N 3.47Å; R166-R168 PolarHBondContact O-N 2.96Å |
| 167 | G | 95.5 | Very high | 96.9 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 5.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L162 L165 V169 | L162-G167 PolarHBondContact O-N 3.23Å; L165-G167 VanDerWaalsContact C-N 3.3Å; L165-G167 PolarHBondContact O-N 2.94Å; G167-V169 PolarHBondContact O-N 3.1Å; G167-V169 VanDerWaalsContact O-N 3.16Å |
| 168 | R | 96.4 | Very high | 96.7 | Very high | 122 Ų | 122 | 52.8 Ų | 52.8 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | trans | -83.8 | 92.1 | -174.8 | -66.2 | -68.9 | -62.9 | -103.4 | -3.8 | 112.3 | L165 R166 D170 K171 L172 | L165-R168 VanDerWaalsContact O-CB 3.25Å; L165-R168 WeakPolarHBondContact O-CB 3.37Å; L165-R168 WeakPolarHBondContact O-CG 3.46Å; L165-R168 PolarHBondContact O-N 2.99Å; R166-R168 PolarHBondContact O-N 2.96Å; R168-D170 WeakPolarHBondContact CB-OD1 3.32Å; R168-D170 IonicContact CZ-OD1 3.76Å; R168-D170 IonicContact CZ-OD2 2.67Å; R168-D170 IonicContact NE-OD1 3.54Å; R168-D170 PolarHBondContact NE-OD1 2.89Å; R168-D170 IonicContact NE-OD2 3.49Å; R168-D170 IonicContact NH2-OD1 2.66Å; R168-D170 IonicContact NH2-OD2 2.88Å; R168-D170 PolarHBondContact NH2-OD2 3.49Å; R168-D170 PolarHBondContact O-N 3.48Å; R168-K171 HydrophobicContact CB-CB 4.12Å; R168-K171 HydrophobicContact CB-CD 3.92Å; R168-K171 HydrophobicContact CB-CG 3.9Å; R168-K171 HydrophobicContact CG-CD 4.39Å; R168-K171 PolarHBondContact O-N 3.3Å; R168-L172 PolarHBondContact O-N 3.5Å | ||
| 169 | V | 97.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -33.9 | 175.6 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | L130 F132 L162 G167 K171 L172 V173 | L130-V169 WeakPolarHBondContact O-CG1 3.33Å; F132-V169 HydrophobicContact CD1-CB 4.24Å; F132-V169 HydrophobicContact CD2-CB 4.14Å; F132-V169 HydrophobicContact CD2-CG1 3.74Å; F132-V169 HydrophobicContact CE1-CB 3.98Å; F132-V169 HydrophobicContact CE1-CG1 4.41Å; F132-V169 HydrophobicContact CE2-CB 3.91Å; F132-V169 HydrophobicContact CE2-CG1 3.42Å; F132-V169 VanDerWaalsContact CE2-CG1 3.42Å; F132-V169 HydrophobicContact CG-CB 4.32Å; F132-V169 HydrophobicContact CG-CG1 4.38Å; F132-V169 HydrophobicContact CZ-CB 3.83Å; F132-V169 HydrophobicContact CZ-CG1 3.81Å; L162-V169 HydrophobicContact CD2-CG1 3.78Å; G167-V169 PolarHBondContact O-N 3.1Å; G167-V169 VanDerWaalsContact O-N 3.16Å; V169-K171 VanDerWaalsContact C-N 3.33Å; V169-K171 PolarHBondContact O-N 2.91Å; V169-L172 WeakPolarHBondContact O-CB 3.36Å; V169-L172 PolarHBondContact O-N 3.38Å; V169-V173 WeakPolarHBondContact O-CG2 3.32Å; V169-V173 PolarHBondContact O-N 3.21Å |
| 170 | D | 97.4 | Very high | 96.4 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 179.1 | 61.7 | -56.5 | 0 | 0 | 0 | 112.3 | R168 V173 A174 | R168-D170 WeakPolarHBondContact CB-OD1 3.32Å; R168-D170 IonicContact CZ-OD1 3.76Å; R168-D170 IonicContact CZ-OD2 2.67Å; R168-D170 IonicContact NE-OD1 3.54Å; R168-D170 PolarHBondContact NE-OD1 2.89Å; R168-D170 IonicContact NE-OD2 3.49Å; R168-D170 IonicContact NH2-OD1 2.66Å; R168-D170 IonicContact NH2-OD2 2.88Å; R168-D170 PolarHBondContact NH2-OD2 3.49Å; R168-D170 PolarHBondContact O-N 3.48Å; D170-V173 PolarHBondContact O-N 2.64Å; D170-A174 WeakPolarHBondContact O-CB 3.47Å; D170-A174 PolarHBondContact O-N 3.44Å |
| 171 | K | 97 | Very high | 96.3 | Very high | 70 Ų | 70 | 49 Ų | 49 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 174.8 | -72.1 | -172.6 | 178 | -178.3 | 0 | 111.7 | L165 R168 V169 A174 A175 I213 | L165-K171 HydrophobicContact CD2-CB 4.35Å; R168-K171 HydrophobicContact CB-CB 4.12Å; R168-K171 HydrophobicContact CB-CD 3.92Å; R168-K171 HydrophobicContact CB-CG 3.9Å; R168-K171 HydrophobicContact CG-CD 4.39Å; R168-K171 PolarHBondContact O-N 3.3Å; V169-K171 VanDerWaalsContact C-N 3.33Å; V169-K171 PolarHBondContact O-N 2.91Å; K171-A174 PolarHBondContact O-N 3.42Å; K171-A175 PolarHBondContact O-N 2.7Å; K171-I213 HydrophobicContact CB-CG2 4.07Å |
| 172 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -51.5 | 175.6 | -179.4 | 55.1 | 0 | 0 | 0 | 109.6 | F132 V158 W161 L165 R168 V169 A174 A175 L176 L182 L183 | F132-L172 HydrophobicContact CZ-CD2 4.3Å; V158-L172 HydrophobicContact CB-CD2 4.48Å; V158-L172 HydrophobicContact CG1-CD2 4.2Å; V158-L172 HydrophobicContact CG2-CD2 4.25Å; W161-L172 HydrophobicContact CB-CD1 4.09Å; W161-L172 HydrophobicContact CB-CD2 4.31Å; W161-L172 HydrophobicContact CG-CD1 4.21Å; L165-L172 HydrophobicContact CD1-CB 3.6Å; L165-L172 HydrophobicContact CD1-CD1 4.12Å; L165-L172 HydrophobicContact CD1-CG 4.37Å; R168-L172 PolarHBondContact O-N 3.5Å; V169-L172 WeakPolarHBondContact O-CB 3.36Å; V169-L172 PolarHBondContact O-N 3.38Å; L172-A174 VanDerWaalsContact C-N 3.31Å; L172-A174 PolarHBondContact O-N 3.28Å; L172-A175 WeakPolarHBondContact O-CB 3.36Å; L172-A175 PolarHBondContact O-N 3.17Å; L172-A175 VanDerWaalsContact O-N 3.08Å; L172-L176 HydrophobicContact CD1-CD2 4.48Å; L172-L176 WeakPolarHBondContact O-CG 3.49Å; L172-L176 PolarHBondContact O-N 3.48Å; L172-L176 VanDerWaalsContact O-N 3.15Å; L172-L182 HydrophobicContact CD1-CD1 4.49Å; L172-L183 HydrophobicContact CD2-CD2 4.41Å |
| 173 | V | 97.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57 | -45.2 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 111 | F132 Q136 L139 R143 V169 D170 A175 L176 | F132-V173 HydrophobicContact CD1-CG2 4.03Å; F132-V173 HydrophobicContact CE1-CG2 3.67Å; Q136-V173 HydrophobicContact CB-CG2 4.01Å; Q136-V173 HydrophobicContact CG-CG1 4.39Å; Q136-V173 HydrophobicContact CG-CG2 4.12Å; L139-V173 HydrophobicContact CB-CG1 3.94Å; L139-V173 HydrophobicContact CD1-CG1 3.72Å; R143-V173 PolarHBondContact NH1-O 2.89Å; V169-V173 WeakPolarHBondContact O-CG2 3.32Å; V169-V173 PolarHBondContact O-N 3.21Å; D170-V173 PolarHBondContact O-N 2.64Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 3.35Å; V173-L176 WeakPolarHBondContact O-CB 3.44Å; V173-L176 PolarHBondContact O-N 3.38Å |
| 174 | A | 96.2 | Very high | 96.2 | Very high | 63 Ų | 63 | 47.5 Ų | 47.5 | 52% | 0.521 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.4 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D170 K171 L172 L176 K177 | D170-A174 WeakPolarHBondContact O-CB 3.47Å; D170-A174 PolarHBondContact O-N 3.44Å; K171-A174 PolarHBondContact O-N 3.42Å; L172-A174 VanDerWaalsContact C-N 3.31Å; L172-A174 PolarHBondContact O-N 3.28Å; A174-L176 VanDerWaalsContact C-N 3.32Å; A174-L176 PolarHBondContact O-N 3.34Å; A174-K177 WeakPolarHBondContact O-CB 3.43Å; A174-K177 PolarHBondContact O-N 3.44Å |
| 175 | A | 96.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -36.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K171 L172 V173 K177 G178 N179 L182 A212 I213 | K171-A175 PolarHBondContact O-N 2.7Å; L172-A175 WeakPolarHBondContact O-CB 3.36Å; L172-A175 PolarHBondContact O-N 3.17Å; L172-A175 VanDerWaalsContact O-N 3.08Å; V173-A175 VanDerWaalsContact C-N 3.34Å; V173-A175 PolarHBondContact O-N 3.35Å; A175-K177 PolarHBondContact O-N 3.02Å; A175-G178 PolarHBondContact O-N 3.02Å; A175-N179 PolarHBondContact O-N 3.36Å; A175-L182 HydrophobicContact CB-CD1 3.64Å; A175-A212 WeakPolarHBondContact CB-O 3.43Å; A175-I213 HydrophobicContact CB-CG2 4.49Å |
| 176 | L | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.1 | 179.1 | -57.7 | 174.5 | 0 | 0 | 0 | 113.7 | I140 R143 L172 V173 A174 G178 P180 L182 L183 | I140-L176 HydrophobicContact CG1-CD1 3.91Å; R143-L176 HydrophobicContact CB-CB 4.26Å; L172-L176 HydrophobicContact CD1-CD2 4.48Å; L172-L176 WeakPolarHBondContact O-CG 3.49Å; L172-L176 PolarHBondContact O-N 3.48Å; L172-L176 VanDerWaalsContact O-N 3.15Å; V173-L176 WeakPolarHBondContact O-CB 3.44Å; V173-L176 PolarHBondContact O-N 3.38Å; A174-L176 VanDerWaalsContact C-N 3.32Å; A174-L176 PolarHBondContact O-N 3.34Å; L176-G178 VanDerWaalsContact C-N 3.32Å; L176-P180 WeakPolarHBondContact O-CD 3.38Å; L176-P180 WeakPolarHBondContact O-CG 3.22Å; L176-L182 HydrophobicContact CD2-CB 4Å; L176-L183 HydrophobicContact CD1-CD1 3.58Å; L176-L183 HydrophobicContact CD1-CG 4.42Å; L176-L183 HydrophobicContact CD2-CB 4.37Å; L176-L183 HydrophobicContact CD2-CD1 3.86Å; L176-L183 HydrophobicContact CD2-CG 3.76Å; L176-L183 HydrophobicContact CG-CD1 4.34Å |
| 177 | K | 93.7 | Very high | 96 | Very high | 170 Ų | 170 | 43.1 Ų | 43.1 | 74% | 0.739 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -38.7 | 173.1 | -176.2 | 178.9 | 176.6 | -178.3 | 0 | 111.5 | A174 A175 | A174-K177 WeakPolarHBondContact O-CB 3.43Å; A174-K177 PolarHBondContact O-N 3.44Å; A175-K177 PolarHBondContact O-N 3.02Å |
| 178 | G | 91.9 | Very high | 96 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -33.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A175 L176 | A175-G178 PolarHBondContact O-N 3.02Å; L176-G178 VanDerWaalsContact C-N 3.32Å |
| 179 | N | 95.2 | Very high | 96 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | trans | -144.4 | 91.3 | 179.5 | -173.3 | 19.4 | 0 | 0 | 0 | 112.4 | A175 G181 L182 S217 V221 | A175-N179 PolarHBondContact O-N 3.36Å; N179-G181 PolarHBondContact O-N 2.94Å; N179-G181 VanDerWaalsContact O-N 3.16Å; N179-G181 WeakPolarHBondContact OD1-CA 2.94Å; N179-G181 PolarHBondContact OD1-N 3.47Å; N179-L182 PolarHBondContact O-N 3.21Å; N179-S217 WeakPolarHBondContact CB-OG 3.34Å; N179-S217 VanDerWaalsContact ND2-C 3.32Å; N179-S217 PolarHBondContact ND2-O 3.05Å; N179-V221 WeakPolarHBondContact ND2-CG2 3.24Å | ||
| 180 | P | 95.5 | Very high | 96 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.5 | 169.6 | -23.7 | 34.2 | 0 | 0 | 0 | 113.4 | R143 L176 L182 L183 T184 | R143-P180 WeakPolarHBondContact O-CB 3.37Å; R143-P180 WeakPolarHBondContact O-CG 3.44Å; L176-P180 WeakPolarHBondContact O-CD 3.38Å; L176-P180 WeakPolarHBondContact O-CG 3.22Å; P180-L182 PolarHBondContact O-N 2.63Å; P180-L183 PolarHBondContact O-N 3.45Å; P180-T184 PolarHBondContact O-N 2.76Å; P180-T184 PolarHBondContact O-OG1 3.06Å |
| 181 | G | 95.8 | Very high | 96 | Very high | 12 Ų | 12 | 49.2 Ų | 49.2 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -50.2 | -28.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N179 L183 T184 A185 | N179-G181 PolarHBondContact O-N 2.94Å; N179-G181 VanDerWaalsContact O-N 3.16Å; N179-G181 WeakPolarHBondContact OD1-CA 2.94Å; N179-G181 PolarHBondContact OD1-N 3.47Å; G181-L183 PolarHBondContact O-N 3.39Å; G181-L183 VanDerWaalsContact O-N 3.11Å; G181-T184 WeakPolarHBondContact CA-OG1 3.19Å; G181-T184 PolarHBondContact O-N 2.82Å; G181-A185 WeakPolarHBondContact O-CB 3.42Å; G181-A185 PolarHBondContact O-N 3.34Å |
| 182 | L | 97 | Very high | 96 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.2 | -31.5 | 176.7 | -65.2 | 172.8 | 0 | 0 | 0 | 112.7 | W161 L172 A175 L176 N179 P180 V221 | W161-L182 HydrophobicContact CD2-CD2 4.49Å; W161-L182 HydrophobicContact CH2-CD2 3.93Å; W161-L182 HydrophobicContact CZ2-CD2 3.49Å; W161-L182 VanDerWaalsContact CZ2-CD2 3.49Å; W161-L182 PolarHBondContact NE1-O 3.03Å; L172-L182 HydrophobicContact CD1-CD1 4.49Å; A175-L182 HydrophobicContact CB-CD1 3.64Å; L176-L182 HydrophobicContact CD2-CB 4Å; N179-L182 PolarHBondContact O-N 3.21Å; P180-L182 PolarHBondContact O-N 2.63Å; L182-V221 HydrophobicContact CD2-CG1 4.05Å |
| 183 | L | 96.8 | Very high | 96 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -111.6 | -11.8 | 177.6 | -62.3 | -177.7 | 0 | 0 | 0 | 114 | I140 L154 V158 L172 L176 P180 G181 | I140-L183 HydrophobicContact CG2-CD1 4.35Å; L154-L183 HydrophobicContact CD1-CB 4.27Å; L154-L183 HydrophobicContact CD1-CD1 3.97Å; V158-L183 HydrophobicContact CG2-CD1 4.2Å; V158-L183 HydrophobicContact CG2-CD2 3.83Å; L172-L183 HydrophobicContact CD2-CD2 4.41Å; L176-L183 HydrophobicContact CD1-CD1 3.58Å; L176-L183 HydrophobicContact CD1-CG 4.42Å; L176-L183 HydrophobicContact CD2-CB 4.37Å; L176-L183 HydrophobicContact CD2-CD1 3.86Å; L176-L183 HydrophobicContact CD2-CG 3.76Å; L176-L183 HydrophobicContact CG-CD1 4.34Å; P180-L183 PolarHBondContact O-N 3.45Å; G181-L183 PolarHBondContact O-N 3.39Å; G181-L183 VanDerWaalsContact O-N 3.11Å |
| 184 | T | 95.7 | Very high | 96 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -104.8 | -19.2 | -177.2 | 67.5 | 0 | 0 | 0 | 0 | 114.2 | C144 A148 P180 G181 | C144-T184 HydrophobicContact CB-CG2 3.92Å; A148-T184 HydrophobicContact CB-CG2 3.64Å; P180-T184 PolarHBondContact O-N 2.76Å; P180-T184 PolarHBondContact O-OG1 3.06Å; G181-T184 WeakPolarHBondContact CA-OG1 3.19Å; G181-T184 PolarHBondContact O-N 2.82Å |
| 185 | A | 95.8 | Very high | 96 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -71.1 | 158.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G181 L187 V190 V221 | G181-A185 WeakPolarHBondContact O-CB 3.42Å; G181-A185 PolarHBondContact O-N 3.34Å; A185-L187 PolarHBondContact O-N 2.93Å; A185-V190 HydrophobicContact CB-CG2 3.79Å; A185-V221 HydrophobicContact CB-CB 4.02Å; A185-V221 HydrophobicContact CB-CG1 4.27Å |
| 186 | D | 95.2 | Very high | 95.9 | Very high | 93 Ų | 93 | 48.1 Ų | 48.1 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | trans | -64.3 | 122.8 | 175.3 | 178.9 | 71.5 | 0 | 0 | 0 | 110.6 | R188 T189 V190 | D186-R188 PolarHBondContact O-N 3.16Å; D186-R188 WeakPolarHBondContact OD2-CA 3.48Å; D186-R188 WeakPolarHBondContact OD2-CB 3.34Å; D186-R188 PolarHBondContact OD2-N 3.42Å; D186-T189 PolarHBondContact O-N 3.27Å; D186-T189 PolarHBondContact OD2-N 3.1Å; D186-T189 PolarHBondContact OD2-OG1 3.09Å; D186-V190 WeakPolarHBondContact O-CG2 3.41Å; D186-V190 PolarHBondContact O-N 3.22Å | ||
| 187 | L | 96 | Very high | 95.9 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -24.7 | -174.2 | -175.3 | 59 | 0 | 0 | 0 | 112.5 | P156 F160 A185 K191 | P156-L187 HydrophobicContact CB-CD2 3.78Å; F160-L187 HydrophobicContact CB-CD1 3.88Å; F160-L187 HydrophobicContact CD1-CD1 3.91Å; F160-L187 HydrophobicContact CD2-CD1 4.49Å; F160-L187 HydrophobicContact CG-CD1 3.82Å; A185-L187 PolarHBondContact O-N 2.93Å; L187-K191 HydrophobicContact CD1-CG 4.46Å; L187-K191 HydrophobicContact CG-CD 4.42Å; L187-K191 WeakPolarHBondContact O-CB 3.3Å; L187-K191 VanDerWaalsContact O-CG 3.23Å; L187-K191 WeakPolarHBondContact O-CG 3.25Å; L187-K191 PolarHBondContact O-N 3.2Å |
| 188 | R | 96.3 | Very high | 95.9 | Very high | 203 Ų | 203 | 42.6 Ų | 42.6 | 77% | 0.766 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -71.6 | -46.8 | 176.2 | -54.9 | 176.8 | 172.5 | 177.2 | -2.8 | 109.7 | D186 V190 K191 S192 | D186-R188 PolarHBondContact O-N 3.16Å; D186-R188 WeakPolarHBondContact OD2-CA 3.48Å; D186-R188 WeakPolarHBondContact OD2-CB 3.34Å; D186-R188 PolarHBondContact OD2-N 3.42Å; R188-V190 PolarHBondContact O-N 3.11Å; R188-K191 PolarHBondContact O-N 3.43Å; R188-S192 PolarHBondContact O-N 2.7Å; R188-S192 PolarHBondContact O-OG 3.31Å |
| 189 | T | 96.2 | Very high | 96 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 34% | 0.344 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.8 | -48.2 | 173.8 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | D186 K191 S192 T193 | D186-T189 PolarHBondContact O-N 3.27Å; D186-T189 PolarHBondContact OD2-N 3.1Å; D186-T189 PolarHBondContact OD2-OG1 3.09Å; T189-K191 VanDerWaalsContact C-N 3.32Å; T189-K191 PolarHBondContact O-N 2.73Å; T189-S192 PolarHBondContact O-N 2.78Å; T189-T193 WeakPolarHBondContact O-CB 3.37Å; T189-T193 PolarHBondContact O-N 2.65Å; T189-T193 PolarHBondContact O-OG1 3.44Å; T189-T193 VanDerWaalsContact O-OG1 3.12Å |
| 190 | V | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | F160 W161 A185 D186 R188 T193 V194 V221 | F160-V190 HydrophobicContact CD1-CG1 4.19Å; F160-V190 HydrophobicContact CE1-CG1 3.52Å; F160-V190 HydrophobicContact CZ-CG1 4.17Å; W161-V190 HydrophobicContact CH2-CG1 3.92Å; W161-V190 HydrophobicContact CZ2-CG1 3.48Å; W161-V190 VanDerWaalsContact CZ2-CG1 3.48Å; A185-V190 HydrophobicContact CB-CG2 3.79Å; D186-V190 WeakPolarHBondContact O-CG2 3.41Å; D186-V190 PolarHBondContact O-N 3.22Å; R188-V190 PolarHBondContact O-N 3.11Å; V190-T193 PolarHBondContact O-N 3.36Å; V190-V194 HydrophobicContact CG1-CG2 4.36Å; V190-V194 WeakPolarHBondContact O-CB 3.43Å; V190-V194 VanDerWaalsContact O-CG2 3.32Å; V190-V194 WeakPolarHBondContact O-CG2 3.25Å; V190-V194 PolarHBondContact O-N 2.92Å; V190-V221 HydrophobicContact CG2-CB 4.4Å; V190-V221 HydrophobicContact CG2-CG1 4.1Å |
| 191 | K | 97.2 | Very high | 95.4 | Very high | 110 Ų | 110 | 48.4 Ų | 48.4 | 48% | 0.478 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 177.1 | -78.4 | 174.8 | 177.5 | -171.5 | 0 | 112 | F160 L187 R188 T189 V194 A195 | F160-K191 HydrophobicContact CD2-CG 3.97Å; F160-K191 HydrophobicContact CE2-CG 3.59Å; F160-K191 HydrophobicContact CZ-CG 4.1Å; L187-K191 HydrophobicContact CD1-CG 4.46Å; L187-K191 HydrophobicContact CG-CD 4.42Å; L187-K191 WeakPolarHBondContact O-CB 3.3Å; L187-K191 VanDerWaalsContact O-CG 3.23Å; L187-K191 WeakPolarHBondContact O-CG 3.25Å; L187-K191 PolarHBondContact O-N 3.2Å; R188-K191 PolarHBondContact O-N 3.43Å; T189-K191 VanDerWaalsContact C-N 3.32Å; T189-K191 PolarHBondContact O-N 2.73Å; K191-V194 PolarHBondContact O-N 3.32Å; K191-A195 WeakPolarHBondContact O-CB 3.1Å; K191-A195 PolarHBondContact O-N 3.38Å |
| 192 | S | 96.7 | Very high | 95.1 | Very high | 67 Ų | 67 | 49.9 Ų | 49.9 | 47% | 0.469 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 112 | R188 T189 A195 L196 | R188-S192 PolarHBondContact O-N 2.7Å; R188-S192 PolarHBondContact O-OG 3.31Å; T189-S192 PolarHBondContact O-N 2.78Å; S192-A195 PolarHBondContact O-N 3.43Å; S192-L196 WeakPolarHBondContact O-CB 3.49Å; S192-L196 PolarHBondContact O-N 3Å |
| 193 | T | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 178.1 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | T189 V190 L196 L197 L219 A222 V227 | T189-T193 WeakPolarHBondContact O-CB 3.37Å; T189-T193 PolarHBondContact O-N 2.65Å; T189-T193 PolarHBondContact O-OG1 3.44Å; T189-T193 VanDerWaalsContact O-OG1 3.12Å; V190-T193 PolarHBondContact O-N 3.36Å; T193-L196 PolarHBondContact O-N 3.39Å; T193-L197 HydrophobicContact CG2-CD1 4.36Å; T193-L197 WeakPolarHBondContact O-CG 3.47Å; T193-L197 PolarHBondContact O-N 3Å; T193-L197 VanDerWaalsContact O-N 3.08Å; T193-L219 WeakPolarHBondContact CG2-O 3.28Å; T193-A222 PolarHBondContact OG1-O 3.21Å; T193-V227 HydrophobicContact CG2-CG2 3.47Å; T193-V227 VanDerWaalsContact CG2-CG2 3.47Å |
| 194 | V | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | F160 W161 Y164 V190 K191 L196 L197 Q198 V208 L220 | F160-V194 HydrophobicContact CE1-CG2 4.29Å; F160-V194 HydrophobicContact CZ-CB 4.16Å; F160-V194 HydrophobicContact CZ-CG1 4.32Å; F160-V194 HydrophobicContact CZ-CG2 4.01Å; W161-V194 HydrophobicContact CH2-CG2 4.06Å; W161-V194 HydrophobicContact CZ3-CG2 4.43Å; Y164-V194 HydrophobicContact CE2-CG1 4.47Å; V190-V194 HydrophobicContact CG1-CG2 4.36Å; V190-V194 WeakPolarHBondContact O-CB 3.43Å; V190-V194 VanDerWaalsContact O-CG2 3.32Å; V190-V194 WeakPolarHBondContact O-CG2 3.25Å; V190-V194 PolarHBondContact O-N 2.92Å; K191-V194 PolarHBondContact O-N 3.32Å; V194-L196 PolarHBondContact O-N 3.07Å; V194-L197 PolarHBondContact O-N 3.46Å; V194-Q198 HydrophobicContact CG1-CG 4.36Å; V194-Q198 VanDerWaalsContact O-CG 3.3Å; V194-Q198 WeakPolarHBondContact O-CG 3.23Å; V194-Q198 PolarHBondContact O-N 2.93Å; V194-V208 HydrophobicContact CG1-CG1 4.1Å; V194-V208 HydrophobicContact CG1-CG2 4.21Å; V194-V208 HydrophobicContact CG2-CG1 4.49Å; V194-L220 HydrophobicContact CG2-CD2 4.4Å |
| 195 | A | 96.5 | Very high | 94.7 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K191 S192 L197 Q198 E199 | K191-A195 WeakPolarHBondContact O-CB 3.1Å; K191-A195 PolarHBondContact O-N 3.38Å; S192-A195 PolarHBondContact O-N 3.43Å; A195-L197 PolarHBondContact O-N 3.4Å; A195-Q198 PolarHBondContact O-N 2.99Å; A195-Q198 VanDerWaalsContact O-N 3.08Å; A195-E199 WeakPolarHBondContact O-CB 3.4Å; A195-E199 WeakPolarHBondContact O-CG 3.41Å; A195-E199 PolarHBondContact O-N 3.46Å |
| 196 | L | 95.4 | Very high | 94.7 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 176.4 | 179.9 | 62.4 | 0 | 0 | 0 | 112.2 | S192 T193 V194 Q198 E199 E200 P224 V227 D228 L231 | S192-L196 WeakPolarHBondContact O-CB 3.49Å; S192-L196 PolarHBondContact O-N 3Å; T193-L196 PolarHBondContact O-N 3.39Å; V194-L196 PolarHBondContact O-N 3.07Å; L196-Q198 VanDerWaalsContact C-N 3.3Å; L196-Q198 PolarHBondContact O-N 3.27Å; L196-E199 PolarHBondContact O-N 3.46Å; L196-E200 HydrophobicContact CD1-CB 4.29Å; L196-E200 HydrophobicContact CD1-CG 3.71Å; L196-E200 WeakPolarHBondContact O-CB 3.37Å; L196-E200 PolarHBondContact O-N 2.66Å; L196-P224 HydrophobicContact CD2-CB 4.27Å; L196-V227 HydrophobicContact CD2-CB 3.93Å; L196-V227 HydrophobicContact CD2-CG1 3.63Å; L196-V227 HydrophobicContact CG-CG1 4.03Å; L196-D228 WeakPolarHBondContact CD2-OD1 3.39Å; L196-L231 HydrophobicContact CD1-CD1 4.42Å; L196-L231 HydrophobicContact CG-CD1 4.14Å |
| 197 | L | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.6 | -31.3 | 175.9 | -73.6 | 169.7 | 0 | 0 | 0 | 113.1 | T193 V194 A195 G201 T202 L203 L219 L220 V227 | T193-L197 HydrophobicContact CG2-CD1 4.36Å; T193-L197 WeakPolarHBondContact O-CG 3.47Å; T193-L197 PolarHBondContact O-N 3Å; T193-L197 VanDerWaalsContact O-N 3.08Å; V194-L197 PolarHBondContact O-N 3.46Å; A195-L197 PolarHBondContact O-N 3.4Å; L197-G201 CarbonylContact O-C 3.33Å; L197-G201 WeakPolarHBondContact O-CA 3.34Å; L197-G201 PolarHBondContact O-N 2.83Å; L197-G201 VanDerWaalsContact O-N 3.11Å; L197-T202 PolarHBondContact O-N 2.87Å; L197-L203 HydrophobicContact CB-CD1 3.96Å; L197-L203 HydrophobicContact CB-CG 4.41Å; L197-L203 HydrophobicContact CD2-CD1 4.45Å; L197-L203 WeakPolarHBondContact O-CG 3.5Å; L197-L203 PolarHBondContact O-N 3.15Å; L197-L219 HydrophobicContact CD1-CD2 4.31Å; L197-L219 HydrophobicContact CD1-CG 4.24Å; L197-L219 HydrophobicContact CD2-CD2 3.96Å; L197-L219 HydrophobicContact CD2-CG 4.47Å; L197-L220 HydrophobicContact CD1-CD2 3.73Å; L197-V227 HydrophobicContact CD2-CG1 3.64Å; L197-V227 HydrophobicContact CG-CG1 3.83Å |
| 198 | Q | 94.8 | Very high | 94.6 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -75.7 | -43.7 | 176.1 | -69.4 | 179.9 | -63 | 0 | 0 | 111.6 | V194 A195 L196 T202 L203 D205 V208 | V194-Q198 HydrophobicContact CG1-CG 4.36Å; V194-Q198 VanDerWaalsContact O-CG 3.3Å; V194-Q198 WeakPolarHBondContact O-CG 3.23Å; V194-Q198 PolarHBondContact O-N 2.93Å; A195-Q198 PolarHBondContact O-N 2.99Å; A195-Q198 VanDerWaalsContact O-N 3.08Å; L196-Q198 VanDerWaalsContact C-N 3.3Å; L196-Q198 PolarHBondContact O-N 3.27Å; Q198-T202 WeakPolarHBondContact O-CA 3.3Å; Q198-T202 PolarHBondContact O-N 3.47Å; Q198-L203 WeakPolarHBondContact CG-O 3.36Å; Q198-D205 PolarHBondContact NE2-OD1 3.18Å; Q198-V208 HydrophobicContact CG-CG2 4.03Å |
| 199 | E | 93.1 | Very high | 94.6 | Very high | 140 Ų | 140 | 41.3 Ų | 41.3 | 65% | 0.654 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -72.6 | -52.7 | -177.3 | -71 | 175.5 | -176.4 | 0 | 0 | 111.8 | A195 L196 | A195-E199 WeakPolarHBondContact O-CB 3.4Å; A195-E199 WeakPolarHBondContact O-CG 3.41Å; A195-E199 PolarHBondContact O-N 3.46Å; L196-E199 PolarHBondContact O-N 3.46Å |
| 200 | E | 90.8 | Very high | 94.6 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -38.3 | -175.2 | -64.2 | -60.4 | 160.4 | 0 | 0 | 112.4 | L196 T202 L231 R241 | L196-E200 HydrophobicContact CD1-CB 4.29Å; L196-E200 HydrophobicContact CD1-CG 3.71Å; L196-E200 WeakPolarHBondContact O-CB 3.37Å; L196-E200 PolarHBondContact O-N 2.66Å; E200-T202 VanDerWaalsContact C-N 3.33Å; E200-L231 HydrophobicContact CB-CD1 3.77Å; E200-R241 IonicContact OE2-CZ 3.48Å; E200-R241 IonicContact OE2-NH1 2.74Å; E200-R241 PolarHBondContact OE2-NH1 3.4Å |
| 201 | G | 88 | Confident | 94.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -81.3 | -11.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L197 L203 | L197-G201 CarbonylContact O-C 3.33Å; L197-G201 WeakPolarHBondContact O-CA 3.34Å; L197-G201 PolarHBondContact O-N 2.83Å; L197-G201 VanDerWaalsContact O-N 3.11Å; G201-L203 PolarHBondContact O-N 3.43Å |
| 202 | T | 88.8 | Confident | 94.4 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 26% | 0.264 | 21% | 0.212 | S | C | . | . | trans | 53.9 | 30.7 | -175.1 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | L197 Q198 E200 T204 K242 | L197-T202 PolarHBondContact O-N 2.87Å; Q198-T202 WeakPolarHBondContact O-CA 3.3Å; Q198-T202 PolarHBondContact O-N 3.47Å; E200-T202 VanDerWaalsContact C-N 3.33Å; T202-T204 PolarHBondContact O-N 3.08Å; T202-K242 HydrophobicContact CG2-CB 3.79Å; T202-K242 HydrophobicContact CG2-CD 4.3Å; T202-K242 HydrophobicContact CG2-CG 3.52Å; T202-K242 VanDerWaalsContact OG1-CA 3.28Å; T202-K242 WeakPolarHBondContact OG1-CA 3.28Å; T202-K242 PolarHBondContact OG1-N 3.25Å | ||
| 203 | L | 93.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | trans | -70.9 | 129.9 | 175.5 | -62 | -165.6 | 0 | 0 | 0 | 110.1 | L197 Q198 G201 D207 V208 F211 K247 I250 | L197-L203 HydrophobicContact CB-CD1 3.96Å; L197-L203 HydrophobicContact CB-CG 4.41Å; L197-L203 HydrophobicContact CD2-CD1 4.45Å; L197-L203 WeakPolarHBondContact O-CG 3.5Å; L197-L203 PolarHBondContact O-N 3.15Å; Q198-L203 WeakPolarHBondContact CG-O 3.36Å; G201-L203 PolarHBondContact O-N 3.43Å; L203-D207 HydrophobicContact CB-CB 3.97Å; L203-D207 HydrophobicContact CD2-CB 4.06Å; L203-D207 HydrophobicContact CG-CB 4.45Å; L203-V208 HydrophobicContact CB-CG2 4.25Å; L203-F211 HydrophobicContact CD1-CD1 4.38Å; L203-F211 HydrophobicContact CD1-CD2 4.39Å; L203-F211 HydrophobicContact CD1-CE1 4.15Å; L203-F211 HydrophobicContact CD1-CE2 4.21Å; L203-F211 HydrophobicContact CD1-CZ 4.08Å; L203-F211 HydrophobicContact CD2-CE2 4.49Å; L203-K247 HydrophobicContact CD2-CB 4.18Å; L203-K247 HydrophobicContact CD2-CG 4.02Å; L203-I250 HydrophobicContact CD2-CD1 4.17Å | ||
| 204 | T | 93.7 | Very high | 94.1 | Very high | 82 Ų | 82 | 40 Ų | 40 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | trans | -76.3 | 165.4 | 168.6 | 67.3 | 0 | 0 | 0 | 0 | 110.6 | T202 G206 D207 V208 | T202-T204 PolarHBondContact O-N 3.08Å; T204-G206 PolarHBondContact O-N 3.23Å; T204-G206 VanDerWaalsContact O-N 3.14Å; T204-G206 PolarHBondContact OG1-N 3.23Å; T204-D207 WeakPolarHBondContact CB-OD2 3.13Å; T204-D207 PolarHBondContact N-OD2 2.9Å; T204-D207 WeakPolarHBondContact O-CA 3.34Å; T204-D207 WeakPolarHBondContact O-CB 3.37Å; T204-D207 PolarHBondContact O-N 3.35Å; T204-D207 VanDerWaalsContact OG1-CG 3.27Å; T204-D207 PolarHBondContact OG1-N 3.02Å; T204-D207 PolarHBondContact OG1-OD2 2.97Å; T204-V208 PolarHBondContact O-N 3.03Å | ||
| 205 | D | 95.3 | Very high | 93.6 | Very high | 92 Ų | 92 | 45.2 Ų | 45.2 | 49% | 0.492 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.4 | -34.8 | 171.9 | -67.7 | -0.1 | 0 | 0 | 0 | 112.4 | Y164 Q198 D207 V208 G209 | Y164-D205 HydrophobicContact CD1-CB 3.87Å; Y164-D205 HydrophobicContact CE1-CB 4.16Å; Q198-D205 PolarHBondContact NE2-OD1 3.18Å; D205-D207 VanDerWaalsContact C-N 3.34Å; D205-V208 PolarHBondContact O-N 3.04Å; D205-G209 PolarHBondContact O-N 3.1Å |
| 206 | G | 94.1 | Very high | 93.3 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.5 | -33.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | T204 W210 | T204-G206 PolarHBondContact O-N 3.23Å; T204-G206 VanDerWaalsContact O-N 3.14Å; T204-G206 PolarHBondContact OG1-N 3.23Å; G206-W210 PolarHBondContact O-N 3.39Å |
| 207 | D | 94 | Very high | 93.3 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71 | -45.1 | 174.4 | -61.7 | -54.2 | 0 | 0 | 0 | 111.1 | L203 T204 D205 G209 W210 F211 K247 | L203-D207 HydrophobicContact CB-CB 3.97Å; L203-D207 HydrophobicContact CD2-CB 4.06Å; L203-D207 HydrophobicContact CG-CB 4.45Å; T204-D207 WeakPolarHBondContact CB-OD2 3.13Å; T204-D207 PolarHBondContact N-OD2 2.9Å; T204-D207 WeakPolarHBondContact O-CA 3.34Å; T204-D207 WeakPolarHBondContact O-CB 3.37Å; T204-D207 PolarHBondContact O-N 3.35Å; T204-D207 VanDerWaalsContact OG1-CG 3.27Å; T204-D207 PolarHBondContact OG1-N 3.02Å; T204-D207 PolarHBondContact OG1-OD2 2.97Å; D205-D207 VanDerWaalsContact C-N 3.34Å; D207-G209 VanDerWaalsContact C-N 3.3Å; D207-G209 PolarHBondContact O-N 3.48Å; D207-W210 CarbonylContact O-C 3.49Å; D207-W210 WeakPolarHBondContact O-CB 3.26Å; D207-W210 PolarHBondContact O-N 3.05Å; D207-F211 VanDerWaalsContact O-CD2 3.23Å; D207-F211 WeakPolarHBondContact O-CD2 3.45Å; D207-F211 PolarHBondContact O-N 2.97Å; D207-K247 HydrophobicContact CB-CD 4.38Å; D207-K247 WeakPolarHBondContact OD1-CD 3.44Å; D207-K247 WeakPolarHBondContact OD1-CE 3.21Å; D207-K247 IonicContact OD1-NZ 3.83Å; D207-K247 PolarHBondContact OD1-NZ 2.91Å |
| 208 | V | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 173.6 | 177 | 0 | 0 | 0 | 0 | 110.4 | W161 Y164 V194 Q198 L203 T204 D205 W210 F211 A212 L220 | W161-V208 HydrophobicContact CZ3-CG1 4.08Å; Y164-V208 HydrophobicContact CD1-CB 3.75Å; Y164-V208 HydrophobicContact CD1-CG1 3.7Å; Y164-V208 HydrophobicContact CD1-CG2 4.48Å; Y164-V208 HydrophobicContact CD2-CG1 4.2Å; Y164-V208 HydrophobicContact CE1-CB 4.1Å; Y164-V208 HydrophobicContact CE1-CG1 3.98Å; Y164-V208 HydrophobicContact CE1-CG2 4.36Å; Y164-V208 HydrophobicContact CE2-CG1 4.44Å; Y164-V208 HydrophobicContact CG-CB 4.28Å; Y164-V208 HydrophobicContact CG-CG1 3.81Å; V194-V208 HydrophobicContact CG1-CG1 4.1Å; V194-V208 HydrophobicContact CG1-CG2 4.21Å; V194-V208 HydrophobicContact CG2-CG1 4.49Å; Q198-V208 HydrophobicContact CG-CG2 4.03Å; L203-V208 HydrophobicContact CB-CG2 4.25Å; T204-V208 PolarHBondContact O-N 3.03Å; D205-V208 PolarHBondContact O-N 3.04Å; V208-W210 VanDerWaalsContact C-N 3.32Å; V208-W210 PolarHBondContact O-N 3.32Å; V208-F211 PolarHBondContact O-N 3.33Å; V208-A212 PolarHBondContact O-N 3.45Å; V208-L220 HydrophobicContact CG1-CD1 4.43Å; V208-L220 HydrophobicContact CG1-CD2 4.31Å |
| 209 | G | 96.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 46 Ų | 46 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y164 D205 D207 I213 | Y164-G209 WeakPolarHBondContact O-CA 3.49Å; D205-G209 PolarHBondContact O-N 3.1Å; D207-G209 VanDerWaalsContact C-N 3.3Å; D207-G209 PolarHBondContact O-N 3.48Å; G209-I213 PolarHBondContact O-N 2.95Å |
| 210 | W | 94.8 | Very high | 93.5 | Very high | 106 Ų | 106 | 39.3 Ų | 39.3 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.5 | -40.9 | 174.4 | -177.2 | 90.5 | 0 | 0 | 0 | 112.2 | G206 D207 V208 A212 I213 S214 I251 | G206-W210 PolarHBondContact O-N 3.39Å; D207-W210 CarbonylContact O-C 3.49Å; D207-W210 WeakPolarHBondContact O-CB 3.26Å; D207-W210 PolarHBondContact O-N 3.05Å; V208-W210 VanDerWaalsContact C-N 3.32Å; V208-W210 PolarHBondContact O-N 3.32Å; W210-A212 VanDerWaalsContact C-N 3.32Å; W210-A212 PolarHBondContact O-N 2.99Å; W210-I213 WeakPolarHBondContact O-CG1 3.48Å; W210-I213 PolarHBondContact O-N 3.1Å; W210-S214 WeakPolarHBondContact O-CB 3.39Å; W210-S214 PolarHBondContact O-N 3.29Å; W210-S214 PolarHBondContact O-OG 3.2Å; W210-I251 HydrophobicContact CH2-CD1 3.75Å; W210-I251 HydrophobicContact CZ3-CD1 3.55Å; W210-I251 HydrophobicContact CZ3-CG1 4.24Å |
| 211 | F | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 175.1 | -88.3 | -126.1 | 0 | 0 | 0 | 110.6 | L203 D207 V208 I213 S214 C216 S217 L219 L220 K247 I250 I251 | L203-F211 HydrophobicContact CD1-CD1 4.38Å; L203-F211 HydrophobicContact CD1-CD2 4.39Å; L203-F211 HydrophobicContact CD1-CE1 4.15Å; L203-F211 HydrophobicContact CD1-CE2 4.21Å; L203-F211 HydrophobicContact CD1-CZ 4.08Å; L203-F211 HydrophobicContact CD2-CE2 4.49Å; D207-F211 VanDerWaalsContact O-CD2 3.23Å; D207-F211 WeakPolarHBondContact O-CD2 3.45Å; D207-F211 PolarHBondContact O-N 2.97Å; V208-F211 PolarHBondContact O-N 3.33Å; F211-I213 PolarHBondContact O-N 2.97Å; F211-S214 PolarHBondContact O-N 3.17Å; F211-S214 VanDerWaalsContact O-N 3.1Å; F211-S214 PolarHBondContact O-OG 2.97Å; F211-C216 HydrophobicContact CB-CB 4.27Å; F211-C216 HydrophobicContact CD1-CB 3.44Å; F211-C216 VanDerWaalsContact CD1-CB 3.44Å; F211-C216 HydrophobicContact CE1-CB 3.83Å; F211-C216 HydrophobicContact CG-CB 3.86Å; F211-C216 CarbonylContact O-C 3.35Å; F211-S217 VanDerWaalsContact O-CA 3.26Å; F211-S217 WeakPolarHBondContact O-CA 3.43Å; F211-S217 WeakPolarHBondContact O-CB 3.31Å; F211-S217 PolarHBondContact O-N 2.95Å; F211-L219 HydrophobicContact CD1-CD2 4.41Å; F211-L219 HydrophobicContact CE1-CD2 3.95Å; F211-L220 HydrophobicContact CB-CD1 3.83Å; F211-L220 HydrophobicContact CB-CD2 4.02Å; F211-L220 HydrophobicContact CB-CG 4.04Å; F211-L220 HydrophobicContact CD1-CD2 4.36Å; F211-K247 HydrophobicContact CE2-CD 4.33Å; F211-K247 HydrophobicContact CE2-CG 3.86Å; F211-K247 HydrophobicContact CZ-CG 4.27Å; F211-I250 HydrophobicContact CE1-CG2 4.03Å; F211-I250 HydrophobicContact CZ-CG2 4.15Å; F211-I251 HydrophobicContact CE2-CD1 4.24Å; F211-I251 HydrophobicContact CE2-CG1 4.15Å; F211-I251 HydrophobicContact CZ-CD1 4.32Å; F211-I251 HydrophobicContact CZ-CG1 3.74Å |
| 212 | A | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -33 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | W161 L165 A175 V208 W210 S217 L220 | W161-A212 HydrophobicContact CE3-CB 4.41Å; W161-A212 HydrophobicContact CZ3-CB 4.41Å; L165-A212 HydrophobicContact CD2-CB 4.29Å; A175-A212 WeakPolarHBondContact CB-O 3.43Å; V208-A212 PolarHBondContact O-N 3.45Å; W210-A212 VanDerWaalsContact C-N 3.32Å; W210-A212 PolarHBondContact O-N 2.99Å; A212-S217 WeakPolarHBondContact O-CB 3.42Å; A212-L220 HydrophobicContact CB-CD1 3.78Å |
| 213 | I | 94.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 37.4 Ų | 37.4 | 41% | 0.405 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 2.3 | 179.3 | 66.7 | 173.9 | 0 | 0 | 0 | 113.8 | L165 K171 A175 G209 W210 F211 | L165-I213 HydrophobicContact CD2-CG2 3.78Å; K171-I213 HydrophobicContact CB-CG2 4.07Å; A175-I213 HydrophobicContact CB-CG2 4.49Å; G209-I213 PolarHBondContact O-N 2.95Å; W210-I213 WeakPolarHBondContact O-CG1 3.48Å; W210-I213 PolarHBondContact O-N 3.1Å; F211-I213 PolarHBondContact O-N 2.97Å |
| 214 | S | 91.9 | Very high | 94.4 | Very high | 23 Ų | 23 | 39 Ų | 39 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -109.6 | 179.9 | 178 | 83.1 | 0 | 0 | 0 | 0 | 111.2 | W210 F211 C216 S217 | W210-S214 WeakPolarHBondContact O-CB 3.39Å; W210-S214 PolarHBondContact O-N 3.29Å; W210-S214 PolarHBondContact O-OG 3.2Å; F211-S214 PolarHBondContact O-N 3.17Å; F211-S214 VanDerWaalsContact O-N 3.1Å; F211-S214 PolarHBondContact O-OG 2.97Å; S214-C216 PolarHBondContact O-N 3.04Å; S214-C216 WeakPolarHBondContact OG-CB 3.46Å; S214-C216 PolarHBondContact OG-N 2.9Å; S214-C216 VanDerWaalsContact OG-N 3.17Å; S214-S217 WeakPolarHBondContact O-CB 3.38Å; S214-S217 PolarHBondContact O-N 2.98Å; S214-S217 PolarHBondContact O-OG 3.5Å |
| 215 | Y | 86.7 | Confident | 94.4 | Very high | 109 Ų | 109 | 40.9 Ų | 40.9 | 43% | 0.427 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -64.2 | -17.2 | 174 | 69.9 | -93.4 | 0 | 0 | 0 | 112.6 | S217 I251 S255 | Y215-S217 PolarHBondContact O-N 2.88Å; Y215-I251 WeakPolarHBondContact OH-CG2 3.37Å; Y215-S255 WeakPolarHBondContact CE2-OG 3.47Å; Y215-S255 PolarHBondContact OH-OG 3.43Å; Y215-S255 VanDerWaalsContact OH-OG 3.06Å |
| 216 | C | 91.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -74.2 | -2.9 | 175.9 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | F211 S214 K218 L219 | F211-C216 HydrophobicContact CB-CB 4.27Å; F211-C216 HydrophobicContact CD1-CB 3.44Å; F211-C216 VanDerWaalsContact CD1-CB 3.44Å; F211-C216 HydrophobicContact CE1-CB 3.83Å; F211-C216 HydrophobicContact CG-CB 3.86Å; F211-C216 CarbonylContact O-C 3.35Å; S214-C216 PolarHBondContact O-N 3.04Å; S214-C216 WeakPolarHBondContact OG-CB 3.46Å; S214-C216 PolarHBondContact OG-N 2.9Å; S214-C216 VanDerWaalsContact OG-N 3.17Å; C216-K218 PolarHBondContact O-N 3.42Å; C216-K218 VanDerWaalsContact O-N 3.1Å; C216-L219 WeakPolarHBondContact O-CB 3.37Å; C216-L219 PolarHBondContact O-N 3.42Å |
| 217 | S | 94.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -57.7 | -24.7 | 177.2 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | N179 F211 A212 S214 Y215 L219 L220 | N179-S217 WeakPolarHBondContact CB-OG 3.34Å; N179-S217 VanDerWaalsContact ND2-C 3.32Å; N179-S217 PolarHBondContact ND2-O 3.05Å; F211-S217 VanDerWaalsContact O-CA 3.26Å; F211-S217 WeakPolarHBondContact O-CA 3.43Å; F211-S217 WeakPolarHBondContact O-CB 3.31Å; F211-S217 PolarHBondContact O-N 2.95Å; A212-S217 WeakPolarHBondContact O-CB 3.42Å; S214-S217 WeakPolarHBondContact O-CB 3.38Å; S214-S217 PolarHBondContact O-N 2.98Å; S214-S217 PolarHBondContact O-OG 3.5Å; Y215-S217 PolarHBondContact O-N 2.88Å; S217-L219 VanDerWaalsContact C-N 3.34Å; S217-L220 PolarHBondContact O-N 3.21Å |
| 218 | K | 94.9 | Very high | 94.4 | Very high | 125 Ų | 125 | 42.4 Ų | 42.4 | 54% | 0.543 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -66.1 | -33.7 | 174.1 | -72.8 | -176.6 | -178.4 | -176.4 | 0 | 112.9 | C216 L220 V221 A222 F254 | C216-K218 PolarHBondContact O-N 3.42Å; C216-K218 VanDerWaalsContact O-N 3.1Å; K218-L220 VanDerWaalsContact C-N 3.27Å; K218-L220 PolarHBondContact O-N 3.31Å; K218-V221 VanDerWaalsContact O-CG2 3.3Å; K218-V221 WeakPolarHBondContact O-CG2 3.34Å; K218-V221 PolarHBondContact O-N 2.87Å; K218-A222 PolarHBondContact O-N 3.38Å; K218-F254 HydrophobicContact CB-CE1 4.35Å; K218-F254 HydrophobicContact CB-CZ 3.68Å |
| 219 | L | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -65.9 | -33.1 | 176.5 | -175.1 | 66.5 | 0 | 0 | 0 | 111.6 | T193 L197 F211 C216 S217 V221 A222 V227 V230 I250 F254 | T193-L219 WeakPolarHBondContact CG2-O 3.28Å; L197-L219 HydrophobicContact CD1-CD2 4.31Å; L197-L219 HydrophobicContact CD1-CG 4.24Å; L197-L219 HydrophobicContact CD2-CD2 3.96Å; L197-L219 HydrophobicContact CD2-CG 4.47Å; F211-L219 HydrophobicContact CD1-CD2 4.41Å; F211-L219 HydrophobicContact CE1-CD2 3.95Å; C216-L219 WeakPolarHBondContact O-CB 3.37Å; C216-L219 PolarHBondContact O-N 3.42Å; S217-L219 VanDerWaalsContact C-N 3.34Å; L219-V221 PolarHBondContact O-N 3.45Å; L219-A222 WeakPolarHBondContact O-CB 3.47Å; L219-A222 PolarHBondContact O-N 2.79Å; L219-V227 HydrophobicContact CD1-CG2 3.78Å; L219-V227 HydrophobicContact CG-CG2 4.32Å; L219-V230 HydrophobicContact CD1-CB 4.27Å; L219-V230 HydrophobicContact CD1-CG1 4.25Å; L219-V230 HydrophobicContact CD1-CG2 4.07Å; L219-V230 HydrophobicContact CD2-CG1 4.4Å; L219-I250 HydrophobicContact CD2-CG2 3.62Å; L219-F254 HydrophobicContact CB-CD1 4.49Å; L219-F254 HydrophobicContact CB-CD2 4Å; L219-F254 HydrophobicContact CB-CE1 4.46Å; L219-F254 HydrophobicContact CB-CE2 3.95Å; L219-F254 HydrophobicContact CB-CG 4.28Å; L219-F254 HydrophobicContact CB-CZ 4.21Å; L219-F254 HydrophobicContact CD1-CD2 3.76Å; L219-F254 HydrophobicContact CD1-CE2 4.15Å; L219-F254 HydrophobicContact CD1-CG 4.47Å; L219-F254 HydrophobicContact CG-CD2 4.32Å |
| 220 | L | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -69.1 | -14.4 | -179.6 | -59.5 | -179.8 | 0 | 0 | 0 | 114 | W161 V194 L197 V208 F211 A212 S217 K218 | W161-L220 HydrophobicContact CH2-CB 3.87Å; W161-L220 HydrophobicContact CH2-CD1 3.85Å; W161-L220 HydrophobicContact CH2-CG 4.45Å; W161-L220 HydrophobicContact CZ3-CD1 3.85Å; V194-L220 HydrophobicContact CG2-CD2 4.4Å; L197-L220 HydrophobicContact CD1-CD2 3.73Å; V208-L220 HydrophobicContact CG1-CD1 4.43Å; V208-L220 HydrophobicContact CG1-CD2 4.31Å; F211-L220 HydrophobicContact CB-CD1 3.83Å; F211-L220 HydrophobicContact CB-CD2 4.02Å; F211-L220 HydrophobicContact CB-CG 4.04Å; F211-L220 HydrophobicContact CD1-CD2 4.36Å; A212-L220 HydrophobicContact CB-CD1 3.78Å; S217-L220 PolarHBondContact O-N 3.21Å; K218-L220 VanDerWaalsContact C-N 3.27Å; K218-L220 PolarHBondContact O-N 3.31Å |
| 221 | V | 95.8 | Very high | 94.3 | Very high | 30 Ų | 30 | 41 Ų | 41 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -118.3 | 6.5 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | N179 L182 A185 V190 K218 L219 | N179-V221 WeakPolarHBondContact ND2-CG2 3.24Å; L182-V221 HydrophobicContact CD2-CG1 4.05Å; A185-V221 HydrophobicContact CB-CB 4.02Å; A185-V221 HydrophobicContact CB-CG1 4.27Å; V190-V221 HydrophobicContact CG2-CB 4.4Å; V190-V221 HydrophobicContact CG2-CG1 4.1Å; K218-V221 VanDerWaalsContact O-CG2 3.3Å; K218-V221 WeakPolarHBondContact O-CG2 3.34Å; K218-V221 PolarHBondContact O-N 2.87Å; L219-V221 PolarHBondContact O-N 3.45Å |
| 222 | A | 95.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -70.2 | 163.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T193 K218 L219 E226 V227 | T193-A222 PolarHBondContact OG1-O 3.21Å; K218-A222 PolarHBondContact O-N 3.38Å; L219-A222 WeakPolarHBondContact O-CB 3.47Å; L219-A222 PolarHBondContact O-N 2.79Å; A222-E226 HydrophobicContact CB-CB 4.1Å; A222-E226 VanDerWaalsContact CB-OE2 3.32Å; A222-E226 WeakPolarHBondContact CB-OE2 3.44Å; A222-V227 HydrophobicContact CB-CG2 4.05Å |
| 223 | S | 95 | Very high | 94.1 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | trans | -68.3 | 155.1 | 170.4 | 67.8 | 0 | 0 | 0 | 0 | 110.7 | D225 E226 V227 | S223-D225 PolarHBondContact O-N 3.32Å; S223-E226 PolarHBondContact O-N 3.41Å; S223-E226 WeakPolarHBondContact OG-CG 3.43Å; S223-E226 PolarHBondContact OG-N 3.18Å; S223-V227 WeakPolarHBondContact O-CG2 3.47Å; S223-V227 PolarHBondContact O-N 2.9Å; S223-V227 VanDerWaalsContact O-N 3.1Å | ||
| 224 | P | 94.1 | Very high | 94.1 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -53 | -41.3 | 171.7 | -28.8 | 36.7 | 0 | 0 | 0 | 113 | L196 E226 V227 D228 | L196-P224 HydrophobicContact CD2-CB 4.27Å; P224-E226 VanDerWaalsContact C-N 3.35Å; P224-E226 PolarHBondContact O-N 3.21Å; P224-V227 CarbonylContact O-C 3.58Å; P224-V227 WeakPolarHBondContact O-CB 3.43Å; P224-V227 PolarHBondContact O-N 2.88Å; P224-V227 VanDerWaalsContact O-N 3.09Å; P224-D228 PolarHBondContact O-N 3.27Å |
| 225 | D | 94.4 | Very high | 94.1 | Very high | 121 Ų | 121 | 43.2 Ų | 43.2 | 65% | 0.647 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.5 | -39.1 | 178.6 | -54.7 | -23.1 | 0 | 0 | 0 | 113.1 | S223 V227 S229 | S223-D225 PolarHBondContact O-N 3.32Å; D225-V227 VanDerWaalsContact C-N 3.35Å; D225-S229 PolarHBondContact O-N 3.29Å; D225-S229 PolarHBondContact O-OG 3.45Å |
| 226 | E | 94.1 | Very high | 94.4 | Very high | 116 Ų | 116 | 44.8 Ų | 44.8 | 54% | 0.542 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.1 | -39.2 | 175 | -77.4 | 179.3 | 179.5 | 0 | 0 | 111.1 | A222 S223 P224 S229 V230 | A222-E226 HydrophobicContact CB-CB 4.1Å; A222-E226 VanDerWaalsContact CB-OE2 3.32Å; A222-E226 WeakPolarHBondContact CB-OE2 3.44Å; S223-E226 PolarHBondContact O-N 3.41Å; S223-E226 WeakPolarHBondContact OG-CG 3.43Å; S223-E226 PolarHBondContact OG-N 3.18Å; P224-E226 VanDerWaalsContact C-N 3.35Å; P224-E226 PolarHBondContact O-N 3.21Å; E226-S229 WeakPolarHBondContact O-CB 3.45Å; E226-S229 PolarHBondContact O-N 3.16Å; E226-V230 WeakPolarHBondContact O-CG2 3.26Å; E226-V230 PolarHBondContact O-N 3.02Å |
| 227 | V | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | T193 L196 L197 L219 A222 S223 P224 D225 S229 V230 L231 | T193-V227 HydrophobicContact CG2-CG2 3.47Å; T193-V227 VanDerWaalsContact CG2-CG2 3.47Å; L196-V227 HydrophobicContact CD2-CB 3.93Å; L196-V227 HydrophobicContact CD2-CG1 3.63Å; L196-V227 HydrophobicContact CG-CG1 4.03Å; L197-V227 HydrophobicContact CD2-CG1 3.64Å; L197-V227 HydrophobicContact CG-CG1 3.83Å; L219-V227 HydrophobicContact CD1-CG2 3.78Å; L219-V227 HydrophobicContact CG-CG2 4.32Å; A222-V227 HydrophobicContact CB-CG2 4.05Å; S223-V227 WeakPolarHBondContact O-CG2 3.47Å; S223-V227 PolarHBondContact O-N 2.9Å; S223-V227 VanDerWaalsContact O-N 3.1Å; P224-V227 CarbonylContact O-C 3.58Å; P224-V227 WeakPolarHBondContact O-CB 3.43Å; P224-V227 PolarHBondContact O-N 2.88Å; P224-V227 VanDerWaalsContact O-N 3.09Å; D225-V227 VanDerWaalsContact C-N 3.35Å; V227-S229 VanDerWaalsContact C-N 3.28Å; V227-S229 PolarHBondContact O-N 3.4Å; V227-V230 CarbonylContact O-C 3.6Å; V227-V230 WeakPolarHBondContact O-CB 3.36Å; V227-V230 PolarHBondContact O-N 3.16Å; V227-V230 VanDerWaalsContact O-N 3.07Å; V227-L231 HydrophobicContact CG1-CD1 3.95Å; V227-L231 HydrophobicContact CG1-CG 4.24Å; V227-L231 WeakPolarHBondContact O-CG 3.47Å; V227-L231 PolarHBondContact O-N 2.82Å |
| 228 | D | 94.2 | Very high | 94.1 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 40% | 0.401 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 174 | -80.1 | -29 | 0 | 0 | 0 | 111.4 | L196 P224 V230 L231 A232 | L196-D228 WeakPolarHBondContact CD2-OD1 3.39Å; P224-D228 PolarHBondContact O-N 3.27Å; D228-V230 VanDerWaalsContact C-N 3.31Å; D228-V230 PolarHBondContact O-N 3.4Å; D228-L231 PolarHBondContact O-N 3.22Å; D228-A232 WeakPolarHBondContact O-CB 3.36Å; D228-A232 PolarHBondContact O-N 3.49Å |
| 229 | S | 94.7 | Very high | 93.9 | Very high | 69 Ų | 69 | 42.3 Ų | 42.3 | 48% | 0.483 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 175.4 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | D225 E226 V227 R233 | D225-S229 PolarHBondContact O-N 3.29Å; D225-S229 PolarHBondContact O-OG 3.45Å; E226-S229 WeakPolarHBondContact O-CB 3.45Å; E226-S229 PolarHBondContact O-N 3.16Å; V227-S229 VanDerWaalsContact C-N 3.28Å; V227-S229 PolarHBondContact O-N 3.4Å; S229-R233 PolarHBondContact O-N 3.01Å |
| 230 | V | 95.2 | Very high | 93.6 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.8 | -40.1 | 175.5 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | L219 E226 V227 D228 R233 A234 I250 A253 F254 | L219-V230 HydrophobicContact CD1-CB 4.27Å; L219-V230 HydrophobicContact CD1-CG1 4.25Å; L219-V230 HydrophobicContact CD1-CG2 4.07Å; L219-V230 HydrophobicContact CD2-CG1 4.4Å; E226-V230 WeakPolarHBondContact O-CG2 3.26Å; E226-V230 PolarHBondContact O-N 3.02Å; V227-V230 CarbonylContact O-C 3.6Å; V227-V230 WeakPolarHBondContact O-CB 3.36Å; V227-V230 PolarHBondContact O-N 3.16Å; V227-V230 VanDerWaalsContact O-N 3.07Å; D228-V230 VanDerWaalsContact C-N 3.31Å; D228-V230 PolarHBondContact O-N 3.4Å; V230-R233 PolarHBondContact O-N 3.22Å; V230-A234 WeakPolarHBondContact O-CB 3.14Å; V230-A234 PolarHBondContact O-N 3.25Å; V230-I250 HydrophobicContact CG1-CG2 4.22Å; V230-A253 HydrophobicContact CG1-CB 4.07Å; V230-A253 WeakPolarHBondContact O-CB 3.43Å; V230-F254 HydrophobicContact CG1-CB 4.1Å; V230-F254 HydrophobicContact CG2-CD2 4.29Å |
| 231 | L | 94.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 177.2 | -70.6 | 171.7 | 0 | 0 | 0 | 111.4 | L196 E200 V227 D228 R233 A234 D235 F246 I250 | L196-L231 HydrophobicContact CD1-CD1 4.42Å; L196-L231 HydrophobicContact CG-CD1 4.14Å; E200-L231 HydrophobicContact CB-CD1 3.77Å; V227-L231 HydrophobicContact CG1-CD1 3.95Å; V227-L231 HydrophobicContact CG1-CG 4.24Å; V227-L231 WeakPolarHBondContact O-CG 3.47Å; V227-L231 PolarHBondContact O-N 2.82Å; D228-L231 PolarHBondContact O-N 3.22Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.18Å; L231-A234 WeakPolarHBondContact O-CA 3.46Å; L231-A234 WeakPolarHBondContact O-CB 3.46Å; L231-A234 PolarHBondContact O-N 3.03Å; L231-D235 PolarHBondContact O-N 3.17Å; L231-F246 HydrophobicContact CD2-CE1 4.05Å; L231-I250 HydrophobicContact CD2-CD1 3.93Å; L231-I250 HydrophobicContact CD2-CG1 4.03Å |
| 232 | A | 94.1 | Very high | 92.5 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D228 A234 D235 E236 | D228-A232 WeakPolarHBondContact O-CB 3.36Å; D228-A232 PolarHBondContact O-N 3.49Å; A232-A234 VanDerWaalsContact C-N 3.31Å; A232-A234 PolarHBondContact O-N 3.14Å; A232-D235 WeakPolarHBondContact O-CB 3.36Å; A232-D235 PolarHBondContact O-N 3.48Å; A232-E236 PolarHBondContact O-N 3.38Å |
| 233 | R | 93.6 | Very high | 92 | Very high | 43 Ų | 43 | 59.6 Ų | 59.6 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.1 | -33.4 | 173.9 | -170.9 | -174.8 | -53.4 | 146.8 | 11.9 | 112.4 | S229 V230 L231 D235 E236 F237 A253 V256 P258 L261 | S229-R233 PolarHBondContact O-N 3.01Å; V230-R233 PolarHBondContact O-N 3.22Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.18Å; R233-D235 VanDerWaalsContact C-N 3.29Å; R233-D235 PolarHBondContact O-N 2.84Å; R233-E236 WeakPolarHBondContact O-CB 3.15Å; R233-E236 PolarHBondContact O-N 3.13Å; R233-F237 WeakPolarHBondContact O-CD2 3.46Å; R233-A253 HydrophobicContact CB-CB 4Å; R233-A253 HydrophobicContact CG-CB 3.99Å; R233-A253 PolarHBondContact NH1-O 3.36Å; R233-V256 PolarHBondContact NH1-O 2.83Å; R233-V256 VanDerWaalsContact NH1-O 3.11Å; R233-P258 VanDerWaalsContact NH2-CG 3.35Å; R233-L261 HydrophobicContact CG-CD2 4.11Å |
| 234 | A | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.7 | -33.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V230 L231 A232 E236 F237 F246 A249 I250 A253 | V230-A234 WeakPolarHBondContact O-CB 3.14Å; V230-A234 PolarHBondContact O-N 3.25Å; L231-A234 WeakPolarHBondContact O-CA 3.46Å; L231-A234 WeakPolarHBondContact O-CB 3.46Å; L231-A234 PolarHBondContact O-N 3.03Å; A232-A234 VanDerWaalsContact C-N 3.31Å; A232-A234 PolarHBondContact O-N 3.14Å; A234-E236 VanDerWaalsContact C-N 3.29Å; A234-E236 PolarHBondContact O-N 2.92Å; A234-F237 WeakPolarHBondContact O-CB 3.32Å; A234-F237 WeakPolarHBondContact O-CD2 3.45Å; A234-F237 PolarHBondContact O-N 2.92Å; A234-F246 HydrophobicContact CB-CE2 4.12Å; A234-F246 HydrophobicContact CB-CZ 3.91Å; A234-A249 HydrophobicContact CB-CB 3.98Å; A234-I250 HydrophobicContact CB-CG1 4.18Å; A234-A253 HydrophobicContact CB-CB 4.13Å |
| 235 | D | 92.9 | Very high | 91.1 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -30.6 | 175.3 | -62.9 | -43.6 | 0 | 0 | 0 | 112.6 | L231 A232 R233 F237 G238 R241 F246 | L231-D235 PolarHBondContact O-N 3.17Å; A232-D235 WeakPolarHBondContact O-CB 3.36Å; A232-D235 PolarHBondContact O-N 3.48Å; R233-D235 VanDerWaalsContact C-N 3.29Å; R233-D235 PolarHBondContact O-N 2.84Å; D235-F237 PolarHBondContact O-N 3.12Å; D235-F237 VanDerWaalsContact O-N 3.1Å; D235-G238 PolarHBondContact O-N 3.46Å; D235-R241 IonicContact OD1-CZ 3.81Å; D235-R241 IonicContact OD1-NE 2.64Å; D235-R241 PolarHBondContact OD1-NE 3.32Å; D235-R241 IonicContact OD1-NH2 3.89Å; D235-R241 IonicContact OD2-CZ 2.74Å; D235-R241 IonicContact OD2-NE 2.86Å; D235-R241 IonicContact OD2-NH2 3.19Å; D235-R241 PolarHBondContact OD2-NH2 3.14Å; D235-F246 WeakPolarHBondContact OD1-CE2 3.48Å; D235-F246 WeakPolarHBondContact OD1-CZ 3.47Å |
| 236 | E | 91.7 | Very high | 90.9 | Very high | 142 Ų | 142 | 62.4 Ų | 62.4 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.6 | 177.9 | -63.6 | 174 | -160.8 | 0 | 0 | 113.1 | A232 R233 A234 G238 | A232-E236 PolarHBondContact O-N 3.38Å; R233-E236 WeakPolarHBondContact O-CB 3.15Å; R233-E236 PolarHBondContact O-N 3.13Å; A234-E236 VanDerWaalsContact C-N 3.29Å; A234-E236 PolarHBondContact O-N 2.92Å; E236-G238 PolarHBondContact O-N 3.23Å |
| 237 | F | 91.2 | Very high | 90.8 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 5% | 0.053 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -8.7 | 174 | -70.2 | -94.6 | 0 | 0 | 0 | 113.3 | R233 A234 D235 V239 A249 A252 A253 L261 A283 A284 P287 M290 | R233-F237 WeakPolarHBondContact O-CD2 3.46Å; A234-F237 WeakPolarHBondContact O-CB 3.32Å; A234-F237 WeakPolarHBondContact O-CD2 3.45Å; A234-F237 PolarHBondContact O-N 2.92Å; D235-F237 PolarHBondContact O-N 3.12Å; D235-F237 VanDerWaalsContact O-N 3.1Å; F237-V239 HydrophobicContact CB-CG2 4.11Å; F237-V239 PolarHBondContact O-N 3.04Å; F237-A249 HydrophobicContact CB-CB 4.32Å; F237-A249 HydrophobicContact CD2-CB 4.25Å; F237-A249 HydrophobicContact CG-CB 4.36Å; F237-A252 HydrophobicContact CE1-CB 4.14Å; F237-A252 HydrophobicContact CE2-CB 4.36Å; F237-A252 HydrophobicContact CZ-CB 3.73Å; F237-A253 HydrophobicContact CE2-CB 4.29Å; F237-L261 HydrophobicContact CE1-CD1 4.21Å; F237-L261 HydrophobicContact CE2-CD2 4.22Å; F237-L261 HydrophobicContact CZ-CD1 3.86Å; F237-L261 HydrophobicContact CZ-CD2 4.1Å; F237-A283 HydrophobicContact CD1-CB 4.03Å; F237-A284 WeakPolarHBondContact O-CA 3.46Å; F237-A284 WeakPolarHBondContact O-CB 3.37Å; F237-P287 HydrophobicContact CD1-CB 3.61Å; F237-P287 HydrophobicContact CD1-CG 4.28Å; F237-P287 HydrophobicContact CE1-CB 3.86Å; F237-P287 HydrophobicContact CG-CB 4.1Å; F237-M290 HydrophobicContact CE1-CB 4.33Å; F237-M290 HydrophobicContact CE1-CG 3.65Å; F237-M290 HydrophobicContact CZ-CG 4.28Å |
| 238 | G | 89.8 | Confident | 90.7 | Very high | 56 Ų | 56 | 61.4 Ų | 61.4 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 17.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D235 E236 | D235-G238 PolarHBondContact O-N 3.46Å; E236-G238 PolarHBondContact O-N 3.23Å |
| 239 | V | 90.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -86 | 124 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | F237 R241 T243 A245 F246 A249 A284 P287 | F237-V239 HydrophobicContact CB-CG2 4.11Å; F237-V239 PolarHBondContact O-N 3.04Å; V239-R241 PolarHBondContact O-N 3.4Å; V239-T243 VanDerWaalsContact CG1-OG1 3.24Å; V239-T243 WeakPolarHBondContact CG1-OG1 3.48Å; V239-A245 HydrophobicContact CG1-CB 3.71Å; V239-F246 HydrophobicContact CB-CD2 4.24Å; V239-F246 HydrophobicContact CG1-CB 4.1Å; V239-F246 HydrophobicContact CG1-CD2 4.24Å; V239-F246 WeakPolarHBondContact O-CD2 3.48Å; V239-A249 HydrophobicContact CG2-CB 4.48Å; V239-A284 HydrophobicContact CG2-CB 4.36Å; V239-A284 VanDerWaalsContact CG2-O 3.3Å; V239-A284 WeakPolarHBondContact CG2-O 3.28Å; V239-P287 HydrophobicContact CG2-CG 3.89Å |
| 240 | P | 88.6 | Confident | 90.7 | Very high | 89 Ų | 89 | 54.5 Ų | 54.5 | 58% | 0.578 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 134 | 175.9 | -22.2 | 32.4 | 0 | 0 | 0 | 110.8 | T243 | P240-T243 HydrophobicContact CB-CG2 3.96Å; P240-T243 HydrophobicContact CG-CG2 4.45Å; P240-T243 WeakPolarHBondContact O-CB 3.46Å; P240-T243 VanDerWaalsContact O-CG2 3.32Å; P240-T243 WeakPolarHBondContact O-CG2 3.38Å; P240-T243 PolarHBondContact O-N 2.89Å; P240-T243 PolarHBondContact O-OG1 3.04Å |
| 241 | R | 87.5 | Confident | 90.7 | Very high | 89 Ų | 89 | 54.2 Ų | 54.2 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 154.3 | 165.7 | -63 | -169.8 | 179.4 | -166.8 | -0.8 | 109.1 | E200 D235 V239 T243 F246 | E200-R241 IonicContact OE2-CZ 3.48Å; E200-R241 IonicContact OE2-NH1 2.74Å; E200-R241 PolarHBondContact OE2-NH1 3.4Å; D235-R241 IonicContact OD1-CZ 3.81Å; D235-R241 IonicContact OD1-NE 2.64Å; D235-R241 PolarHBondContact OD1-NE 3.32Å; D235-R241 IonicContact OD1-NH2 3.89Å; D235-R241 IonicContact OD2-CZ 2.74Å; D235-R241 IonicContact OD2-NE 2.86Å; D235-R241 IonicContact OD2-NH2 3.19Å; D235-R241 PolarHBondContact OD2-NH2 3.14Å; V239-R241 PolarHBondContact O-N 3.4Å; R241-T243 VanDerWaalsContact C-N 3.29Å; R241-T243 PolarHBondContact O-N 3.18Å; R241-F246 HydrophobicContact CG-CD2 4.26Å; R241-F246 HydrophobicContact CG-CE1 4.06Å; R241-F246 HydrophobicContact CG-CE2 3.79Å; R241-F246 HydrophobicContact CG-CZ 3.68Å |
| 242 | K | 81.9 | Confident | 90.6 | Very high | 173 Ų | 173 | 54.1 Ų | 54.1 | 75% | 0.752 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 17.7 | -175.9 | -30.4 | -162.5 | 165.7 | 170.2 | 0 | 115.3 | T202 | T202-K242 HydrophobicContact CG2-CB 3.79Å; T202-K242 HydrophobicContact CG2-CD 4.3Å; T202-K242 HydrophobicContact CG2-CG 3.52Å; T202-K242 VanDerWaalsContact OG1-CA 3.28Å; T202-K242 WeakPolarHBondContact OG1-CA 3.28Å; T202-K242 PolarHBondContact OG1-N 3.25Å |
| 243 | T | 85 | Confident | 90.7 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -110.4 | 152.8 | 171.2 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | V239 P240 R241 A245 F246 | V239-T243 VanDerWaalsContact CG1-OG1 3.24Å; V239-T243 WeakPolarHBondContact CG1-OG1 3.48Å; P240-T243 HydrophobicContact CB-CG2 3.96Å; P240-T243 HydrophobicContact CG-CG2 4.45Å; P240-T243 WeakPolarHBondContact O-CB 3.46Å; P240-T243 VanDerWaalsContact O-CG2 3.32Å; P240-T243 WeakPolarHBondContact O-CG2 3.38Å; P240-T243 PolarHBondContact O-N 2.89Å; P240-T243 PolarHBondContact O-OG1 3.04Å; R241-T243 VanDerWaalsContact C-N 3.29Å; R241-T243 PolarHBondContact O-N 3.18Å; T243-A245 PolarHBondContact O-N 2.95Å; T243-F246 VanDerWaalsContact O-CB 3.3Å; T243-F246 WeakPolarHBondContact O-CB 3.21Å; T243-F246 PolarHBondContact O-N 3.36Å; T243-F246 PolarHBondContact OG1-N 3.21Å |
| 244 | R | 82.8 | Confident | 90.7 | Very high | 233 Ų | 233 | 52.6 Ų | 52.6 | 88% | 0.879 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57.9 | -32.9 | 174.2 | -176.9 | 179.5 | 173 | -173.1 | -1 | 112.3 | F246 K247 | R244-F246 PolarHBondContact O-N 3.11Å; R244-K247 WeakPolarHBondContact O-CB 3.46Å; R244-K247 PolarHBondContact O-N 3.21Å |
| 245 | A | 86.9 | Confident | 90.5 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 25% | 0.248 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.6 | -23.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V239 T243 K247 D248 A249 | V239-A245 HydrophobicContact CG1-CB 3.71Å; T243-A245 PolarHBondContact O-N 2.95Å; A245-K247 VanDerWaalsContact C-N 3.27Å; A245-K247 PolarHBondContact O-N 3.49Å; A245-D248 WeakPolarHBondContact O-CA 3.38Å; A245-D248 WeakPolarHBondContact O-CB 3.43Å; A245-D248 PolarHBondContact O-N 3.02Å; A245-A249 PolarHBondContact O-N 3.24Å |
| 246 | F | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -34 | 178.5 | -163.7 | -104.8 | 0 | 0 | 0 | 111.7 | L231 A234 D235 V239 R241 T243 R244 D248 A249 I250 | L231-F246 HydrophobicContact CD2-CE1 4.05Å; A234-F246 HydrophobicContact CB-CE2 4.12Å; A234-F246 HydrophobicContact CB-CZ 3.91Å; D235-F246 WeakPolarHBondContact OD1-CE2 3.48Å; D235-F246 WeakPolarHBondContact OD1-CZ 3.47Å; V239-F246 HydrophobicContact CB-CD2 4.24Å; V239-F246 HydrophobicContact CG1-CB 4.1Å; V239-F246 HydrophobicContact CG1-CD2 4.24Å; V239-F246 WeakPolarHBondContact O-CD2 3.48Å; R241-F246 HydrophobicContact CG-CD2 4.26Å; R241-F246 HydrophobicContact CG-CE1 4.06Å; R241-F246 HydrophobicContact CG-CE2 3.79Å; R241-F246 HydrophobicContact CG-CZ 3.68Å; T243-F246 VanDerWaalsContact O-CB 3.3Å; T243-F246 WeakPolarHBondContact O-CB 3.21Å; T243-F246 PolarHBondContact O-N 3.36Å; T243-F246 PolarHBondContact OG1-N 3.21Å; R244-F246 PolarHBondContact O-N 3.11Å; F246-D248 VanDerWaalsContact C-N 3.27Å; F246-D248 PolarHBondContact O-N 3.39Å; F246-A249 HydrophobicContact CD2-CB 4.42Å; F246-A249 WeakPolarHBondContact O-CA 3.48Å; F246-A249 VanDerWaalsContact O-CB 3.31Å; F246-A249 WeakPolarHBondContact O-CB 3.45Å; F246-A249 PolarHBondContact O-N 2.9Å; F246-I250 HydrophobicContact CD1-CD1 3.87Å; F246-I250 HydrophobicContact CD1-CG1 4.12Å; F246-I250 HydrophobicContact CE1-CD1 3.91Å; F246-I250 HydrophobicContact CE1-CG1 3.97Å; F246-I250 WeakPolarHBondContact O-CG1 3.32Å; F246-I250 PolarHBondContact O-N 2.96Å |
| 247 | K | 91.7 | Very high | 90.2 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.3 | -43.9 | 169.3 | -178.8 | -173 | 178.8 | 178.7 | 0 | 111.9 | L203 D207 F211 R244 A245 A249 I250 I251 | L203-K247 HydrophobicContact CD2-CB 4.18Å; L203-K247 HydrophobicContact CD2-CG 4.02Å; D207-K247 HydrophobicContact CB-CD 4.38Å; D207-K247 WeakPolarHBondContact OD1-CD 3.44Å; D207-K247 WeakPolarHBondContact OD1-CE 3.21Å; D207-K247 IonicContact OD1-NZ 3.83Å; D207-K247 PolarHBondContact OD1-NZ 2.91Å; F211-K247 HydrophobicContact CE2-CD 4.33Å; F211-K247 HydrophobicContact CE2-CG 3.86Å; F211-K247 HydrophobicContact CZ-CG 4.27Å; R244-K247 WeakPolarHBondContact O-CB 3.46Å; R244-K247 PolarHBondContact O-N 3.21Å; A245-K247 VanDerWaalsContact C-N 3.27Å; A245-K247 PolarHBondContact O-N 3.49Å; K247-A249 VanDerWaalsContact C-N 3.28Å; K247-A249 PolarHBondContact O-N 3.24Å; K247-I250 PolarHBondContact O-N 3.22Å; K247-I251 HydrophobicContact CG-CD1 4.12Å; K247-I251 WeakPolarHBondContact O-CG1 3.22Å; K247-I251 PolarHBondContact O-N 3.23Å |
| 248 | D | 92.2 | Very high | 90.2 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 32% | 0.316 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.7 | -31.5 | 177.6 | -71.1 | -26.2 | 0 | 0 | 0 | 111.6 | A245 F246 I251 A252 P287 T288 | A245-D248 WeakPolarHBondContact O-CA 3.38Å; A245-D248 WeakPolarHBondContact O-CB 3.43Å; A245-D248 PolarHBondContact O-N 3.02Å; F246-D248 VanDerWaalsContact C-N 3.27Å; F246-D248 PolarHBondContact O-N 3.39Å; D248-I251 PolarHBondContact O-N 3.13Å; D248-A252 WeakPolarHBondContact O-CB 3.46Å; D248-A252 PolarHBondContact O-N 2.97Å; D248-P287 HydrophobicContact CB-CG 4.31Å; D248-T288 HydrophobicContact CB-CG2 4.06Å |
| 249 | A | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66 | -45.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A234 F237 V239 A245 F246 K247 I251 A252 A253 P287 | A234-A249 HydrophobicContact CB-CB 3.98Å; F237-A249 HydrophobicContact CB-CB 4.32Å; F237-A249 HydrophobicContact CD2-CB 4.25Å; F237-A249 HydrophobicContact CG-CB 4.36Å; V239-A249 HydrophobicContact CG2-CB 4.48Å; A245-A249 PolarHBondContact O-N 3.24Å; F246-A249 HydrophobicContact CD2-CB 4.42Å; F246-A249 WeakPolarHBondContact O-CA 3.48Å; F246-A249 VanDerWaalsContact O-CB 3.31Å; F246-A249 WeakPolarHBondContact O-CB 3.45Å; F246-A249 PolarHBondContact O-N 2.9Å; K247-A249 VanDerWaalsContact C-N 3.28Å; K247-A249 PolarHBondContact O-N 3.24Å; A249-I251 VanDerWaalsContact C-N 3.29Å; A249-I251 PolarHBondContact O-N 2.93Å; A249-A252 PolarHBondContact O-N 3.41Å; A249-A253 VanDerWaalsContact O-CB 3.25Å; A249-A253 WeakPolarHBondContact O-CB 3.39Å; A249-A253 PolarHBondContact O-N 2.97Å; A249-P287 VanDerWaalsContact CA-CB 3.47Å; A249-P287 HydrophobicContact CB-CB 4Å; A249-P287 HydrophobicContact CB-CG 3.81Å |
| 250 | I | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 173.5 | -64.3 | 169.1 | 0 | 0 | 0 | 110.3 | L203 F211 L219 V230 L231 A234 F246 K247 A252 A253 F254 | L203-I250 HydrophobicContact CD2-CD1 4.17Å; F211-I250 HydrophobicContact CE1-CG2 4.03Å; F211-I250 HydrophobicContact CZ-CG2 4.15Å; L219-I250 HydrophobicContact CD2-CG2 3.62Å; V230-I250 HydrophobicContact CG1-CG2 4.22Å; L231-I250 HydrophobicContact CD2-CD1 3.93Å; L231-I250 HydrophobicContact CD2-CG1 4.03Å; A234-I250 HydrophobicContact CB-CG1 4.18Å; F246-I250 HydrophobicContact CD1-CD1 3.87Å; F246-I250 HydrophobicContact CD1-CG1 4.12Å; F246-I250 HydrophobicContact CE1-CD1 3.91Å; F246-I250 HydrophobicContact CE1-CG1 3.97Å; F246-I250 WeakPolarHBondContact O-CG1 3.32Å; F246-I250 PolarHBondContact O-N 2.96Å; K247-I250 PolarHBondContact O-N 3.22Å; I250-A252 PolarHBondContact O-N 3.23Å; I250-A253 PolarHBondContact O-N 3.2Å; I250-F254 VanDerWaalsContact O-CB 3.28Å; I250-F254 WeakPolarHBondContact O-CB 3.38Å; I250-F254 PolarHBondContact O-N 3.44Å |
| 251 | I | 93.3 | Very high | 90.5 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 178.5 | -69.4 | 167.2 | 0 | 0 | 0 | 110.7 | W210 F211 Y215 K247 D248 A249 S255 T288 | W210-I251 HydrophobicContact CH2-CD1 3.75Å; W210-I251 HydrophobicContact CZ3-CD1 3.55Å; W210-I251 HydrophobicContact CZ3-CG1 4.24Å; F211-I251 HydrophobicContact CE2-CD1 4.24Å; F211-I251 HydrophobicContact CE2-CG1 4.15Å; F211-I251 HydrophobicContact CZ-CD1 4.32Å; F211-I251 HydrophobicContact CZ-CG1 3.74Å; Y215-I251 WeakPolarHBondContact OH-CG2 3.37Å; K247-I251 HydrophobicContact CG-CD1 4.12Å; K247-I251 WeakPolarHBondContact O-CG1 3.22Å; K247-I251 PolarHBondContact O-N 3.23Å; D248-I251 PolarHBondContact O-N 3.13Å; A249-I251 VanDerWaalsContact C-N 3.29Å; A249-I251 PolarHBondContact O-N 2.93Å; I251-S255 VanDerWaalsContact O-CB 3.3Å; I251-S255 WeakPolarHBondContact O-CB 3.19Å; I251-S255 PolarHBondContact O-N 3.44Å; I251-S255 PolarHBondContact O-OG 3.08Å; I251-T288 HydrophobicContact CG2-CG2 4.24Å |
| 252 | A | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | F237 D248 A249 I250 F254 S255 V256 P287 T291 | F237-A252 HydrophobicContact CE1-CB 4.14Å; F237-A252 HydrophobicContact CE2-CB 4.36Å; F237-A252 HydrophobicContact CZ-CB 3.73Å; D248-A252 WeakPolarHBondContact O-CB 3.46Å; D248-A252 PolarHBondContact O-N 2.97Å; A249-A252 PolarHBondContact O-N 3.41Å; I250-A252 PolarHBondContact O-N 3.23Å; A252-F254 VanDerWaalsContact C-N 3.32Å; A252-F254 PolarHBondContact O-N 3.11Å; A252-S255 PolarHBondContact O-N 2.93Å; A252-V256 PolarHBondContact O-N 3.46Å; A252-V256 VanDerWaalsContact O-N 3.16Å; A252-P287 HydrophobicContact CB-CB 3.99Å; A252-P287 WeakPolarHBondContact CB-O 3.47Å; A252-T291 HydrophobicContact CB-CG2 4.33Å |
| 253 | A | 94.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V230 R233 A234 F237 A249 I250 V256 | V230-A253 HydrophobicContact CG1-CB 4.07Å; V230-A253 WeakPolarHBondContact O-CB 3.43Å; R233-A253 HydrophobicContact CB-CB 4Å; R233-A253 HydrophobicContact CG-CB 3.99Å; R233-A253 PolarHBondContact NH1-O 3.36Å; A234-A253 HydrophobicContact CB-CB 4.13Å; F237-A253 HydrophobicContact CE2-CB 4.29Å; A249-A253 VanDerWaalsContact O-CB 3.25Å; A249-A253 WeakPolarHBondContact O-CB 3.39Å; A249-A253 PolarHBondContact O-N 2.97Å; I250-A253 PolarHBondContact O-N 3.2Å; A253-V256 VanDerWaalsContact O-O 3.1Å |
| 254 | F | 94 | Very high | 91.8 | Very high | 60 Ų | 60 | 53.2 Ų | 53.2 | 26% | 0.263 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71 | -36.2 | 176.1 | 179.9 | -111.8 | 0 | 0 | 0 | 112.8 | K218 L219 V230 I250 A252 | K218-F254 HydrophobicContact CB-CE1 4.35Å; K218-F254 HydrophobicContact CB-CZ 3.68Å; L219-F254 HydrophobicContact CB-CD1 4.49Å; L219-F254 HydrophobicContact CB-CD2 4Å; L219-F254 HydrophobicContact CB-CE1 4.46Å; L219-F254 HydrophobicContact CB-CE2 3.95Å; L219-F254 HydrophobicContact CB-CG 4.28Å; L219-F254 HydrophobicContact CB-CZ 4.21Å; L219-F254 HydrophobicContact CD1-CD2 3.76Å; L219-F254 HydrophobicContact CD1-CE2 4.15Å; L219-F254 HydrophobicContact CD1-CG 4.47Å; L219-F254 HydrophobicContact CG-CD2 4.32Å; V230-F254 HydrophobicContact CG1-CB 4.1Å; V230-F254 HydrophobicContact CG2-CD2 4.29Å; I250-F254 VanDerWaalsContact O-CB 3.28Å; I250-F254 WeakPolarHBondContact O-CB 3.38Å; I250-F254 PolarHBondContact O-N 3.44Å; A252-F254 VanDerWaalsContact C-N 3.32Å; A252-F254 PolarHBondContact O-N 3.11Å |
| 255 | S | 90 | Very high | 92.3 | Very high | 49 Ų | 49 | 44.8 Ų | 44.8 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -78.5 | -21.3 | -174 | -58 | 0 | 0 | 0 | 0 | 114.3 | Y215 I251 A252 | Y215-S255 WeakPolarHBondContact CE2-OG 3.47Å; Y215-S255 PolarHBondContact OH-OG 3.43Å; Y215-S255 VanDerWaalsContact OH-OG 3.06Å; I251-S255 VanDerWaalsContact O-CB 3.3Å; I251-S255 WeakPolarHBondContact O-CB 3.19Å; I251-S255 PolarHBondContact O-N 3.44Å; I251-S255 PolarHBondContact O-OG 3.08Å; A252-S255 PolarHBondContact O-N 2.93Å |
| 256 | V | 89.4 | Confident | 92.7 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -127.7 | 129.1 | -167.7 | -174.6 | 0 | 0 | 0 | 0 | 109 | R233 A252 A253 R260 L261 T291 | R233-V256 PolarHBondContact NH1-O 2.83Å; R233-V256 VanDerWaalsContact NH1-O 3.11Å; A252-V256 PolarHBondContact O-N 3.46Å; A252-V256 VanDerWaalsContact O-N 3.16Å; A253-V256 VanDerWaalsContact O-O 3.1Å; V256-R260 HydrophobicContact CG1-CB 3.62Å; V256-R260 HydrophobicContact CG1-CG 3.7Å; V256-L261 HydrophobicContact CG1-CB 4.21Å; V256-T291 HydrophobicContact CG2-CG2 3.89Å |
| 257 | T | 90.2 | Very high | 92.9 | Very high | 75 Ų | 75 | 44.7 Ų | 44.7 | 46% | 0.46 | 23% | 0.233 | S | C | . | . | trans | -68 | 155.2 | 175.6 | 76.8 | 0 | 0 | 0 | 0 | 110.5 | E259 R260 L261 | T257-E259 WeakPolarHBondContact CB-OE2 3.03Å; T257-E259 PolarHBondContact O-N 2.95Å; T257-E259 PolarHBondContact OG1-OE2 3.38Å; T257-R260 PolarHBondContact O-N 3.17Å; T257-R260 VanDerWaalsContact O-N 3.09Å; T257-R260 PolarHBondContact OG1-N 3.35Å; T257-L261 PolarHBondContact O-N 3Å | ||
| 258 | P | 90 | Very high | 93.1 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 39% | 0.39 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -51.8 | -41.8 | 177.1 | -25.5 | 33.5 | 0 | 0 | 0 | 113.2 | R233 R260 L261 A262 | R233-P258 VanDerWaalsContact NH2-CG 3.35Å; P258-R260 VanDerWaalsContact C-N 3.33Å; P258-R260 PolarHBondContact O-N 3.42Å; P258-L261 PolarHBondContact O-N 3.16Å; P258-A262 WeakPolarHBondContact O-CB 3.34Å; P258-A262 PolarHBondContact O-N 3.32Å |
| 259 | E | 92.3 | Very high | 93.3 | Very high | 131 Ų | 131 | 46.7 Ų | 46.7 | 61% | 0.612 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.5 | -41.1 | -178.5 | -52.3 | 71.2 | -150.6 | 0 | 0 | 110.6 | T257 A262 W263 | T257-E259 WeakPolarHBondContact CB-OE2 3.03Å; T257-E259 PolarHBondContact O-N 2.95Å; T257-E259 PolarHBondContact OG1-OE2 3.38Å; E259-A262 PolarHBondContact O-N 3.2Å; E259-W263 WeakPolarHBondContact O-CB 3.24Å; E259-W263 PolarHBondContact O-N 3.26Å |
| 260 | R | 92.4 | Very high | 93.4 | Very high | 148 Ų | 148 | 51.9 Ų | 51.9 | 56% | 0.558 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -71.7 | -32.7 | 178.6 | -173.2 | 170.6 | -176.2 | 166.7 | 3 | 111.8 | V256 T257 P258 K264 | V256-R260 HydrophobicContact CG1-CB 3.62Å; V256-R260 HydrophobicContact CG1-CG 3.7Å; T257-R260 PolarHBondContact O-N 3.17Å; T257-R260 VanDerWaalsContact O-N 3.09Å; T257-R260 PolarHBondContact OG1-N 3.35Å; P258-R260 VanDerWaalsContact C-N 3.33Å; P258-R260 PolarHBondContact O-N 3.42Å; R260-K264 VanDerWaalsContact O-CB 3.27Å; R260-K264 WeakPolarHBondContact O-CB 3.48Å; R260-K264 PolarHBondContact O-N 3.03Å |
| 261 | L | 91.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 173.4 | -174.8 | 61.9 | 0 | 0 | 0 | 110.7 | R233 F237 V256 T257 P258 W263 K264 V265 M290 | R233-L261 HydrophobicContact CG-CD2 4.11Å; F237-L261 HydrophobicContact CE1-CD1 4.21Å; F237-L261 HydrophobicContact CE2-CD2 4.22Å; F237-L261 HydrophobicContact CZ-CD1 3.86Å; F237-L261 HydrophobicContact CZ-CD2 4.1Å; V256-L261 HydrophobicContact CG1-CB 4.21Å; T257-L261 PolarHBondContact O-N 3Å; P258-L261 PolarHBondContact O-N 3.16Å; L261-W263 PolarHBondContact O-N 2.93Å; L261-K264 WeakPolarHBondContact O-CB 3.38Å; L261-K264 PolarHBondContact O-N 3.38Å; L261-K264 VanDerWaalsContact O-N 3.1Å; L261-V265 WeakPolarHBondContact O-CG2 3.2Å; L261-V265 PolarHBondContact O-N 2.83Å; L261-M290 HydrophobicContact CD1-CB 3.81Å; L261-M290 HydrophobicContact CD1-CG 3.56Å; L261-M290 HydrophobicContact CD1-SD 4.12Å |
| 262 | A | 92.4 | Very high | 93.4 | Very high | 62 Ų | 62 | 57 Ų | 57 | 51% | 0.512 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | P258 E259 K264 V265 A266 | P258-A262 WeakPolarHBondContact O-CB 3.34Å; P258-A262 PolarHBondContact O-N 3.32Å; E259-A262 PolarHBondContact O-N 3.2Å; A262-K264 VanDerWaalsContact C-N 3.28Å; A262-K264 PolarHBondContact O-N 3.27Å; A262-V265 PolarHBondContact O-N 3.28Å; A262-A266 PolarHBondContact O-N 3.23Å |
| 263 | W | 95.2 | Very high | 93.5 | Very high | 134 Ų | 134 | 59.9 Ų | 59.9 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 173.5 | 176.9 | 84.8 | 0 | 0 | 0 | 111.9 | E259 L261 V265 A266 F267 A294 | E259-W263 WeakPolarHBondContact O-CB 3.24Å; E259-W263 PolarHBondContact O-N 3.26Å; L261-W263 PolarHBondContact O-N 2.93Å; W263-V265 PolarHBondContact O-N 3.39Å; W263-A266 WeakPolarHBondContact O-CB 3.33Å; W263-A266 PolarHBondContact O-N 3.43Å; W263-F267 HydrophobicContact CH2-CB 4.41Å; W263-F267 HydrophobicContact CH2-CD2 4.46Å; W263-F267 HydrophobicContact CH2-CG 4.5Å; W263-F267 HydrophobicContact CZ3-CB 4.47Å; W263-F267 WeakPolarHBondContact O-CB 3.33Å; W263-F267 PolarHBondContact O-N 3.48Å; W263-A294 HydrophobicContact CH2-CB 3.61Å; W263-A294 HydrophobicContact CZ3-CB 4.06Å |
| 264 | K | 94.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 179.8 | -166.8 | 62 | 157.4 | -175.9 | 0 | 111.8 | R260 L261 A262 A266 F267 F268 M290 V292 I297 | R260-K264 VanDerWaalsContact O-CB 3.27Å; R260-K264 WeakPolarHBondContact O-CB 3.48Å; R260-K264 PolarHBondContact O-N 3.03Å; L261-K264 WeakPolarHBondContact O-CB 3.38Å; L261-K264 PolarHBondContact O-N 3.38Å; L261-K264 VanDerWaalsContact O-N 3.1Å; A262-K264 VanDerWaalsContact C-N 3.28Å; A262-K264 PolarHBondContact O-N 3.27Å; K264-A266 VanDerWaalsContact C-N 3.35Å; K264-F267 HydrophobicContact CD-CD1 4.21Å; K264-F267 WeakPolarHBondContact O-CB 3.3Å; K264-F267 PolarHBondContact O-N 2.66Å; K264-F268 HydrophobicContact CD-CE2 4.36Å; K264-F268 HydrophobicContact CG-CD2 4.37Å; K264-F268 HydrophobicContact CG-CE2 4.03Å; K264-F268 WeakPolarHBondContact O-CD2 3.46Å; K264-F268 PolarHBondContact O-N 2.85Å; K264-F268 VanDerWaalsContact O-N 3.14Å; K264-M290 HydrophobicContact CB-SD 4.13Å; K264-M290 HydrophobicContact CG-SD 3.49Å; K264-M290 WeakPolarHBondContact CG-SD 3.19Å; K264-V292 WeakPolarHBondContact CE-O 3.39Å; K264-V292 PolarHBondContact NZ-O 3.13Å; K264-I297 VanDerWaalsContact CE-CD1 3.46Å; K264-I297 VanDerWaalsContact NZ-CD1 3.26Å |
| 265 | V | 93 | Very high | 93.7 | Very high | 56 Ų | 56 | 60.7 Ų | 60.7 | 34% | 0.339 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 174.3 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L261 A262 W263 F267 F268 R269 V279 M290 | L261-V265 WeakPolarHBondContact O-CG2 3.2Å; L261-V265 PolarHBondContact O-N 2.83Å; A262-V265 PolarHBondContact O-N 3.28Å; W263-V265 PolarHBondContact O-N 3.39Å; V265-F267 PolarHBondContact O-N 3.31Å; V265-F268 PolarHBondContact O-N 3.49Å; V265-R269 PolarHBondContact O-N 3.01Å; V265-V279 HydrophobicContact CG1-CG1 4.31Å; V265-V279 HydrophobicContact CG2-CG1 4.25Å; V265-M290 HydrophobicContact CG2-CE 4.46Å |
| 266 | A | 95.2 | Very high | 93.9 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A262 W263 K264 F268 R269 D270 | A262-A266 PolarHBondContact O-N 3.23Å; W263-A266 WeakPolarHBondContact O-CB 3.33Å; W263-A266 PolarHBondContact O-N 3.43Å; K264-A266 VanDerWaalsContact C-N 3.35Å; A266-F268 PolarHBondContact O-N 3.14Å; A266-R269 PolarHBondContact O-N 3.38Å; A266-R269 VanDerWaalsContact O-N 3.11Å; A266-D270 WeakPolarHBondContact O-CB 3.34Å; A266-D270 VanDerWaalsContact O-CG 3.28Å; A266-D270 PolarHBondContact O-N 3.34Å |
| 267 | F | 96.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 67 Ų | 67 | 2% | 0.022 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.7 | -45.4 | 175.3 | 162.1 | -94.2 | 0 | 0 | 0 | 112.8 | W263 K264 V265 R269 E271 L272 A294 I297 R298 | W263-F267 HydrophobicContact CH2-CB 4.41Å; W263-F267 HydrophobicContact CH2-CD2 4.46Å; W263-F267 HydrophobicContact CH2-CG 4.5Å; W263-F267 HydrophobicContact CZ3-CB 4.47Å; W263-F267 WeakPolarHBondContact O-CB 3.33Å; W263-F267 PolarHBondContact O-N 3.48Å; K264-F267 HydrophobicContact CD-CD1 4.21Å; K264-F267 WeakPolarHBondContact O-CB 3.3Å; K264-F267 PolarHBondContact O-N 2.66Å; V265-F267 PolarHBondContact O-N 3.31Å; F267-R269 VanDerWaalsContact C-N 3.3Å; F267-R269 PolarHBondContact O-N 3.46Å; F267-E271 HydrophobicContact CD2-CB 4.06Å; F267-E271 VanDerWaalsContact CD2-CD 3.49Å; F267-E271 HydrophobicContact CD2-CG 3.96Å; F267-E271 WeakPolarHBondContact CD2-OE1 3.42Å; F267-E271 HydrophobicContact CE2-CB 4.06Å; F267-E271 HydrophobicContact CE2-CG 4.23Å; F267-E271 WeakPolarHBondContact CE2-OE2 3.47Å; F267-E271 WeakPolarHBondContact O-CB 3.36Å; F267-E271 PolarHBondContact O-N 2.91Å; F267-L272 HydrophobicContact CE1-CD1 3.97Å; F267-L272 HydrophobicContact CE1-CG 4.31Å; F267-L272 HydrophobicContact CZ-CD1 4.32Å; F267-L272 HydrophobicContact CZ-CD2 4.08Å; F267-L272 HydrophobicContact CZ-CG 4.34Å; F267-A294 HydrophobicContact CD2-CB 4.16Å; F267-A294 HydrophobicContact CE1-CB 4.26Å; F267-A294 HydrophobicContact CE2-CB 3.86Å; F267-A294 HydrophobicContact CG-CB 4.49Å; F267-A294 HydrophobicContact CZ-CB 3.91Å; F267-I297 HydrophobicContact CE1-CB 4.17Å; F267-I297 HydrophobicContact CE1-CG2 3.77Å; F267-I297 HydrophobicContact CZ-CB 4.47Å; F267-I297 HydrophobicContact CZ-CG2 4.26Å; F267-R298 HydrophobicContact CZ-CB 4.42Å |
| 268 | F | 96 | Very high | 94.4 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 176.8 | -82.9 | -82.1 | 0 | 0 | 0 | 112.4 | K264 V265 A266 L272 G273 W274 V279 L289 M290 I297 L322 | K264-F268 HydrophobicContact CD-CE2 4.36Å; K264-F268 HydrophobicContact CG-CD2 4.37Å; K264-F268 HydrophobicContact CG-CE2 4.03Å; K264-F268 WeakPolarHBondContact O-CD2 3.46Å; K264-F268 PolarHBondContact O-N 2.85Å; K264-F268 VanDerWaalsContact O-N 3.14Å; V265-F268 PolarHBondContact O-N 3.49Å; A266-F268 PolarHBondContact O-N 3.14Å; F268-L272 HydrophobicContact CD1-CD1 3.64Å; F268-L272 HydrophobicContact CE1-CD1 3.95Å; F268-L272 HydrophobicContact CG-CD1 4.42Å; F268-L272 CarbonylContact O-C 3.58Å; F268-L272 WeakPolarHBondContact O-CB 3.24Å; F268-L272 PolarHBondContact O-N 3.47Å; F268-G273 PolarHBondContact O-N 3.03Å; F268-W274 HydrophobicContact CB-CB 4.43Å; F268-W274 HydrophobicContact CD1-CD2 4.01Å; F268-W274 AromaticContact CD1-CE3 3.8Å; F268-W274 HydrophobicContact CD1-CE3 3.8Å; F268-W274 HydrophobicContact CD1-CZ3 4.11Å; F268-W274 HydrophobicContact CE1-CE3 4.34Å; F268-W274 HydrophobicContact CE1-CH2 4.41Å; F268-W274 HydrophobicContact CE1-CZ3 4.18Å; F268-W274 WeakPolarHBondContact O-CB 3.43Å; F268-W274 PolarHBondContact O-N 2.82Å; F268-W274 VanDerWaalsContact O-N 3.09Å; F268-V279 HydrophobicContact CB-CG2 3.51Å; F268-V279 HydrophobicContact CD2-CG1 4.49Å; F268-V279 HydrophobicContact CG-CG2 4.16Å; F268-L289 HydrophobicContact CE1-CD2 4.18Å; F268-L289 HydrophobicContact CE2-CD2 4.48Å; F268-L289 HydrophobicContact CZ-CD2 3.63Å; F268-L289 HydrophobicContact CZ-CG 3.96Å; F268-M290 HydrophobicContact CE2-CE 4.42Å; F268-M290 HydrophobicContact CE2-SD 4.09Å; F268-I297 HydrophobicContact CE1-CG2 4Å; F268-I297 HydrophobicContact CE2-CD1 4.49Å; F268-I297 HydrophobicContact CZ-CD1 3.97Å; F268-I297 HydrophobicContact CZ-CG2 4.13Å; F268-L322 HydrophobicContact CE1-CD1 4.1Å |
| 269 | R | 95.3 | Very high | 94.6 | Very high | 135 Ų | 135 | 62.8 Ų | 62.8 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.1 | -54.2 | 179.7 | -179.2 | -169.5 | 63.3 | -137.4 | -11.6 | 111.7 | V265 A266 F267 G273 W274 | V265-R269 PolarHBondContact O-N 3.01Å; A266-R269 PolarHBondContact O-N 3.38Å; A266-R269 VanDerWaalsContact O-N 3.11Å; F267-R269 VanDerWaalsContact C-N 3.3Å; F267-R269 PolarHBondContact O-N 3.46Å; R269-G273 VanDerWaalsContact O-CA 3.26Å; R269-G273 WeakPolarHBondContact O-CA 3.4Å; R269-G273 PolarHBondContact O-N 3.4Å; R269-G273 VanDerWaalsContact O-N 3.13Å; R269-W274 WeakPolarHBondContact CA-O 3.2Å |
| 270 | D | 95.9 | Very high | 94.7 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 58% | 0.578 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -79.5 | -35.7 | -166.5 | -59.2 | -25.3 | 0 | 0 | 0 | 112 | A266 | A266-D270 WeakPolarHBondContact O-CB 3.34Å; A266-D270 VanDerWaalsContact O-CG 3.28Å; A266-D270 PolarHBondContact O-N 3.34Å |
| 271 | E | 95.2 | Very high | 94.8 | Very high | 101 Ų | 101 | 58.2 Ų | 58.2 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -33.3 | -179.1 | -66 | -162.7 | -145.1 | 0 | 0 | 114 | F267 R298 | F267-E271 HydrophobicContact CD2-CB 4.06Å; F267-E271 VanDerWaalsContact CD2-CD 3.49Å; F267-E271 HydrophobicContact CD2-CG 3.96Å; F267-E271 WeakPolarHBondContact CD2-OE1 3.42Å; F267-E271 HydrophobicContact CE2-CB 4.06Å; F267-E271 HydrophobicContact CE2-CG 4.23Å; F267-E271 WeakPolarHBondContact CE2-OE2 3.47Å; F267-E271 WeakPolarHBondContact O-CB 3.36Å; F267-E271 PolarHBondContact O-N 2.91Å; E271-R298 IonicContact OE1-NH2 3.85Å; E271-R298 PolarHBondContact OE1-NH2 2.75Å; E271-R298 IonicContact OE2-CZ 2.83Å; E271-R298 IonicContact OE2-NE 2.9Å; E271-R298 PolarHBondContact OE2-NE 3Å; E271-R298 IonicContact OE2-NH2 3.96Å; E271-R298 PolarHBondContact OE2-NH2 2.89Å |
| 272 | L | 95.1 | Very high | 94.9 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -7 | -176.7 | -42.3 | -177 | 0 | 0 | 0 | 112.8 | F267 F268 W274 I297 W301 | F267-L272 HydrophobicContact CE1-CD1 3.97Å; F267-L272 HydrophobicContact CE1-CG 4.31Å; F267-L272 HydrophobicContact CZ-CD1 4.32Å; F267-L272 HydrophobicContact CZ-CD2 4.08Å; F267-L272 HydrophobicContact CZ-CG 4.34Å; F268-L272 HydrophobicContact CD1-CD1 3.64Å; F268-L272 HydrophobicContact CE1-CD1 3.95Å; F268-L272 HydrophobicContact CG-CD1 4.42Å; F268-L272 CarbonylContact O-C 3.58Å; F268-L272 WeakPolarHBondContact O-CB 3.24Å; F268-L272 PolarHBondContact O-N 3.47Å; L272-W274 VanDerWaalsContact C-N 3.27Å; L272-W274 HydrophobicContact CB-CG 4.4Å; L272-W274 PolarHBondContact O-N 3.07Å; L272-I297 HydrophobicContact CD1-CG2 3.74Å; L272-W301 HydrophobicContact CB-CG 4.47Å; L272-W301 HydrophobicContact CD1-CB 4.48Å; L272-W301 HydrophobicContact CD1-CG 4.3Å; L272-W301 HydrophobicContact CD2-CB 4.35Å; L272-W301 VanDerWaalsContact CD2-CD1 3.49Å; L272-W301 HydrophobicContact CD2-CG 4.01Å; L272-W301 HydrophobicContact CG-CG 4.49Å |
| 273 | G | 95 | Very high | 94.9 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 63% | 0.629 | 29% | 0.292 | S | S | * | . | trans | 70.6 | 20.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F268 R269 | F268-G273 PolarHBondContact O-N 3.03Å; R269-G273 VanDerWaalsContact O-CA 3.26Å; R269-G273 WeakPolarHBondContact O-CA 3.4Å; R269-G273 PolarHBondContact O-N 3.4Å; R269-G273 VanDerWaalsContact O-N 3.13Å | ||
| 274 | W | 96.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | trans | -76.3 | 143.1 | -178.3 | -75 | 27.3 | 0 | 0 | 0 | 111.8 | F268 R269 L272 Q278 V279 A282 W301 A312 V315 A316 L322 | F268-W274 HydrophobicContact CB-CB 4.43Å; F268-W274 HydrophobicContact CD1-CD2 4.01Å; F268-W274 AromaticContact CD1-CE3 3.8Å; F268-W274 HydrophobicContact CD1-CE3 3.8Å; F268-W274 HydrophobicContact CD1-CZ3 4.11Å; F268-W274 HydrophobicContact CE1-CE3 4.34Å; F268-W274 HydrophobicContact CE1-CH2 4.41Å; F268-W274 HydrophobicContact CE1-CZ3 4.18Å; F268-W274 WeakPolarHBondContact O-CB 3.43Å; F268-W274 PolarHBondContact O-N 2.82Å; F268-W274 VanDerWaalsContact O-N 3.09Å; R269-W274 WeakPolarHBondContact CA-O 3.2Å; L272-W274 VanDerWaalsContact C-N 3.27Å; L272-W274 HydrophobicContact CB-CG 4.4Å; L272-W274 PolarHBondContact O-N 3.07Å; W274-Q278 VanDerWaalsContact CA-OE1 3.3Å; W274-Q278 HydrophobicContact CB-CB 4.29Å; W274-Q278 HydrophobicContact CD2-CB 4.25Å; W274-Q278 HydrophobicContact CE3-CB 3.88Å; W274-Q278 HydrophobicContact CG-CB 4.47Å; W274-V279 HydrophobicContact CB-CG2 4Å; W274-V279 HydrophobicContact CE3-CG2 4.24Å; W274-A282 HydrophobicContact CH2-CB 4.34Å; W274-A282 HydrophobicContact CZ3-CB 3.69Å; W274-W301 HydrophobicContact CZ2-CE3 4.2Å; W274-W301 HydrophobicContact CZ2-CZ3 4.09Å; W274-W301 AromaticContact NE1-CE2 3.96Å; W274-W301 AromaticContact NE1-CE3 3.89Å; W274-W301 AromaticContact NE1-CH2 3.52Å; W274-W301 AromaticContact NE1-CZ2 3.67Å; W274-W301 AromaticContact NE1-CZ3 3.62Å; W274-A312 HydrophobicContact CD2-CB 4.48Å; W274-A312 HydrophobicContact CG-CB 4.3Å; W274-V315 HydrophobicContact CH2-CB 4.37Å; W274-V315 HydrophobicContact CH2-CG1 3.98Å; W274-V315 HydrophobicContact CZ2-CB 3.98Å; W274-V315 HydrophobicContact CZ2-CG1 3.73Å; W274-A316 HydrophobicContact CE3-CB 4.38Å; W274-A316 HydrophobicContact CH2-CB 3.9Å; W274-A316 HydrophobicContact CZ3-CB 3.71Å; W274-L322 HydrophobicContact CH2-CD1 3.79Å; W274-L322 HydrophobicContact CZ2-CD1 4.07Å | ||
| 275 | T | 96.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 45% | 0.454 | 30% | 0.304 | S | S | . | . | trans | -75.3 | 157.6 | 170.6 | 70.2 | 0 | 0 | 0 | 0 | 110.9 | A277 Q278 V279 | T275-A277 PolarHBondContact O-N 3.09Å; T275-Q278 WeakPolarHBondContact O-CB 3.32Å; T275-Q278 PolarHBondContact O-N 3.1Å; T275-Q278 WeakPolarHBondContact OG1-CG 3.49Å; T275-Q278 PolarHBondContact OG1-N 3.38Å; T275-Q278 PolarHBondContact OG1-OE1 3.39Å; T275-V279 PolarHBondContact O-N 2.85Å | ||
| 276 | E | 93.3 | Very high | 94.8 | Very high | 128 Ų | 128 | 53.4 Ų | 53.4 | 60% | 0.598 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -55.7 | -37.4 | 176.3 | -167.5 | -172.7 | 153.8 | 0 | 0 | 112.1 | V279 K280 | E276-V279 PolarHBondContact O-N 3.25Å; E276-K280 HydrophobicContact CG-CD 4.26Å; E276-K280 WeakPolarHBondContact O-CB 3.37Å; E276-K280 WeakPolarHBondContact O-CG 3.33Å; E276-K280 PolarHBondContact O-N 3.05Å; E276-K280 WeakPolarHBondContact OE1-CE 3.39Å; E276-K280 IonicContact OE1-NZ 2.77Å; E276-K280 PolarHBondContact OE1-NZ 2.87Å |
| 277 | A | 95.2 | Very high | 94.7 | Very high | 62 Ų | 62 | 52.3 Ų | 52.3 | 51% | 0.512 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T275 T281 | T275-A277 PolarHBondContact O-N 3.09Å; A277-T281 WeakPolarHBondContact O-CB 3.28Å; A277-T281 PolarHBondContact O-N 2.93Å; A277-T281 PolarHBondContact O-OG1 3.26Å |
| 278 | Q | 96.1 | Very high | 94.5 | Very high | 36 Ų | 36 | 53 Ų | 53 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 176.3 | -72.2 | 164.2 | -18.9 | 0 | 0 | 111.2 | W274 T275 T281 A282 A316 | W274-Q278 VanDerWaalsContact CA-OE1 3.3Å; W274-Q278 HydrophobicContact CB-CB 4.29Å; W274-Q278 HydrophobicContact CD2-CB 4.25Å; W274-Q278 HydrophobicContact CE3-CB 3.88Å; W274-Q278 HydrophobicContact CG-CB 4.47Å; T275-Q278 WeakPolarHBondContact O-CB 3.32Å; T275-Q278 PolarHBondContact O-N 3.1Å; T275-Q278 WeakPolarHBondContact OG1-CG 3.49Å; T275-Q278 PolarHBondContact OG1-N 3.38Å; T275-Q278 PolarHBondContact OG1-OE1 3.39Å; Q278-T281 PolarHBondContact O-N 2.99Å; Q278-A282 PolarHBondContact O-N 3.43Å; Q278-A316 HydrophobicContact CB-CB 4.07Å; Q278-A316 HydrophobicContact CG-CB 4.46Å; Q278-A316 WeakPolarHBondContact O-CB 3.13Å |
| 279 | V | 94.7 | Very high | 94.4 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | V265 F268 W274 T275 E276 T281 A282 A283 M290 | V265-V279 HydrophobicContact CG1-CG1 4.31Å; V265-V279 HydrophobicContact CG2-CG1 4.25Å; F268-V279 HydrophobicContact CB-CG2 3.51Å; F268-V279 HydrophobicContact CD2-CG1 4.49Å; F268-V279 HydrophobicContact CG-CG2 4.16Å; W274-V279 HydrophobicContact CB-CG2 4Å; W274-V279 HydrophobicContact CE3-CG2 4.24Å; T275-V279 PolarHBondContact O-N 2.85Å; E276-V279 PolarHBondContact O-N 3.25Å; V279-T281 VanDerWaalsContact C-N 3.33Å; V279-T281 PolarHBondContact O-N 3.44Å; V279-A282 PolarHBondContact O-N 3.25Å; V279-A283 VanDerWaalsContact O-CB 3.23Å; V279-A283 WeakPolarHBondContact O-CB 3.48Å; V279-A283 PolarHBondContact O-N 2.87Å; V279-M290 HydrophobicContact CG1-CE 4.11Å |
| 280 | K | 93 | Very high | 94.3 | Very high | 125 Ų | 125 | 46.8 Ų | 46.8 | 54% | 0.543 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 176 | -77.7 | 174.2 | 168.6 | 171.3 | 0 | 112.1 | E276 A283 A284 | E276-K280 HydrophobicContact CG-CD 4.26Å; E276-K280 WeakPolarHBondContact O-CB 3.37Å; E276-K280 WeakPolarHBondContact O-CG 3.33Å; E276-K280 PolarHBondContact O-N 3.05Å; E276-K280 WeakPolarHBondContact OE1-CE 3.39Å; E276-K280 IonicContact OE1-NZ 2.77Å; E276-K280 PolarHBondContact OE1-NZ 2.87Å; K280-A283 PolarHBondContact O-N 3.28Å; K280-A284 VanDerWaalsContact O-CB 3.3Å; K280-A284 WeakPolarHBondContact O-CB 3.45Å; K280-A284 PolarHBondContact O-N 3.19Å |
| 281 | T | 94.7 | Very high | 94.2 | Very high | 58 Ų | 58 | 43 Ų | 43 | 36% | 0.356 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 178.2 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | A277 Q278 V279 K285 | A277-T281 WeakPolarHBondContact O-CB 3.28Å; A277-T281 PolarHBondContact O-N 2.93Å; A277-T281 PolarHBondContact O-OG1 3.26Å; Q278-T281 PolarHBondContact O-N 2.99Å; V279-T281 VanDerWaalsContact C-N 3.33Å; V279-T281 PolarHBondContact O-N 3.44Å; T281-K285 HydrophobicContact CG2-CD 4.17Å; T281-K285 WeakPolarHBondContact O-CB 3.5Å; T281-K285 WeakPolarHBondContact O-CG 3.24Å; T281-K285 PolarHBondContact O-N 3.36Å; T281-K285 VanDerWaalsContact O-N 3.09Å |
| 282 | A | 94.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.6 | -43.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W274 Q278 V279 K285 M286 L289 A316 P319 | W274-A282 HydrophobicContact CH2-CB 4.34Å; W274-A282 HydrophobicContact CZ3-CB 3.69Å; Q278-A282 PolarHBondContact O-N 3.43Å; V279-A282 PolarHBondContact O-N 3.25Å; A282-K285 PolarHBondContact O-N 3.09Å; A282-M286 PolarHBondContact O-N 2.92Å; A282-L289 HydrophobicContact CB-CD2 4.07Å; A282-A316 HydrophobicContact CB-CB 4.33Å; A282-P319 HydrophobicContact CB-CB 4Å |
| 283 | A | 92.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F237 V279 K280 M286 P287 M290 | F237-A283 HydrophobicContact CD1-CB 4.03Å; V279-A283 VanDerWaalsContact O-CB 3.23Å; V279-A283 WeakPolarHBondContact O-CB 3.48Å; V279-A283 PolarHBondContact O-N 2.87Å; K280-A283 PolarHBondContact O-N 3.28Å; A283-M286 CarbonylContact O-C 3.39Å; A283-M286 PolarHBondContact O-N 3.24Å; A283-P287 WeakPolarHBondContact O-CA 3.47Å; A283-P287 WeakPolarHBondContact O-CD 3.37Å; A283-P287 VanDerWaalsContact O-CG 3.24Å; A283-P287 WeakPolarHBondContact O-CG 3.5Å; A283-M290 HydrophobicContact CB-CE 3.72Å |
| 284 | A | 93 | Very high | 94.1 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.5 | -38 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F237 V239 K280 | F237-A284 WeakPolarHBondContact O-CA 3.46Å; F237-A284 WeakPolarHBondContact O-CB 3.37Å; V239-A284 HydrophobicContact CG2-CB 4.36Å; V239-A284 VanDerWaalsContact CG2-O 3.3Å; V239-A284 WeakPolarHBondContact CG2-O 3.28Å; K280-A284 VanDerWaalsContact O-CB 3.3Å; K280-A284 WeakPolarHBondContact O-CB 3.45Å; K280-A284 PolarHBondContact O-N 3.19Å |
| 285 | K | 93 | Very high | 94.1 | Very high | 120 Ų | 120 | 42.7 Ų | 42.7 | 52% | 0.522 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -74.1 | -32.1 | 178.3 | -79.2 | 172.6 | 172 | -91.7 | 0 | 113.1 | T281 A282 S317 P319 | T281-K285 HydrophobicContact CG2-CD 4.17Å; T281-K285 WeakPolarHBondContact O-CB 3.5Å; T281-K285 WeakPolarHBondContact O-CG 3.24Å; T281-K285 PolarHBondContact O-N 3.36Å; T281-K285 VanDerWaalsContact O-N 3.09Å; A282-K285 PolarHBondContact O-N 3.09Å; K285-S317 WeakPolarHBondContact CD-O 3.46Å; K285-S317 PolarHBondContact NZ-O 3.16Å; K285-P319 HydrophobicContact CB-CG 3.85Å |
| 286 | M | 92.9 | Very high | 94.1 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | trans | -152.4 | 81.3 | -178.2 | -172.2 | 175.6 | 161.9 | 0 | 0 | 110.9 | A282 A283 T288 L289 P319 A320 R323 | A282-M286 PolarHBondContact O-N 2.92Å; A283-M286 CarbonylContact O-C 3.39Å; A283-M286 PolarHBondContact O-N 3.24Å; M286-T288 PolarHBondContact O-N 3.41Å; M286-T288 VanDerWaalsContact O-N 3.12Å; M286-L289 WeakPolarHBondContact O-CB 3.08Å; M286-L289 PolarHBondContact O-N 3.22Å; M286-P319 HydrophobicContact CB-CB 4.14Å; M286-P319 HydrophobicContact CB-CG 3.54Å; M286-P319 HydrophobicContact SD-CG 4.5Å; M286-A320 VanDerWaalsContact SD-CA 3.6Å; M286-A320 HydrophobicContact SD-CB 3.99Å; M286-R323 HydrophobicContact CE-CB 3.98Å; M286-R323 HydrophobicContact CE-CG 4.24Å; M286-R323 VanDerWaalsContact CE-NE 3.27Å | ||
| 287 | P | 93.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -56.5 | -34 | -178 | -27.9 | 34.4 | 0 | 0 | 0 | 113.5 | F237 V239 D248 A249 A252 A283 L289 M290 | F237-P287 HydrophobicContact CD1-CB 3.61Å; F237-P287 HydrophobicContact CD1-CG 4.28Å; F237-P287 HydrophobicContact CE1-CB 3.86Å; F237-P287 HydrophobicContact CG-CB 4.1Å; V239-P287 HydrophobicContact CG2-CG 3.89Å; D248-P287 HydrophobicContact CB-CG 4.31Å; A249-P287 VanDerWaalsContact CA-CB 3.47Å; A249-P287 HydrophobicContact CB-CB 4Å; A249-P287 HydrophobicContact CB-CG 3.81Å; A252-P287 HydrophobicContact CB-CB 3.99Å; A252-P287 WeakPolarHBondContact CB-O 3.47Å; A283-P287 WeakPolarHBondContact O-CA 3.47Å; A283-P287 WeakPolarHBondContact O-CD 3.37Å; A283-P287 VanDerWaalsContact O-CG 3.24Å; A283-P287 WeakPolarHBondContact O-CG 3.5Å; P287-L289 PolarHBondContact O-N 2.87Å; P287-M290 PolarHBondContact O-N 3.2Å; P287-M290 VanDerWaalsContact O-N 3.07Å |
| 288 | T | 93.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -63.1 | -9.3 | 176.9 | 54 | 0 | 0 | 0 | 0 | 114.2 | D248 I251 M286 M290 T291 | D248-T288 HydrophobicContact CB-CG2 4.06Å; I251-T288 HydrophobicContact CG2-CG2 4.24Å; M286-T288 PolarHBondContact O-N 3.41Å; M286-T288 VanDerWaalsContact O-N 3.12Å; T288-M290 PolarHBondContact O-N 3.04Å; T288-T291 PolarHBondContact O-N 3.4Å; T288-T291 VanDerWaalsContact O-N 3.1Å; T288-T291 PolarHBondContact O-OG1 3.39Å |
| 289 | L | 94 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -56.7 | -31.7 | 168.6 | -177.3 | 63.8 | 0 | 0 | 0 | 111.6 | F268 A282 M286 P287 T291 V292 I297 P319 L322 | F268-L289 HydrophobicContact CE1-CD2 4.18Å; F268-L289 HydrophobicContact CE2-CD2 4.48Å; F268-L289 HydrophobicContact CZ-CD2 3.63Å; F268-L289 HydrophobicContact CZ-CG 3.96Å; A282-L289 HydrophobicContact CB-CD2 4.07Å; M286-L289 WeakPolarHBondContact O-CB 3.08Å; M286-L289 PolarHBondContact O-N 3.22Å; P287-L289 PolarHBondContact O-N 2.87Å; L289-T291 PolarHBondContact O-N 3.42Å; L289-V292 HydrophobicContact CD1-CG2 4.4Å; L289-V292 WeakPolarHBondContact O-CB 3.22Å; L289-V292 PolarHBondContact O-N 2.93Å; L289-V292 VanDerWaalsContact O-N 3.11Å; L289-I297 HydrophobicContact CD1-CD1 4.04Å; L289-I297 HydrophobicContact CD1-CG1 4.15Å; L289-I297 HydrophobicContact CG-CD1 4.44Å; L289-P319 HydrophobicContact CD2-CB 3.97Å; L289-L322 HydrophobicContact CD1-CB 3.8Å; L289-L322 HydrophobicContact CD1-CD1 4.31Å; L289-L322 HydrophobicContact CD2-CD1 4.16Å |
| 290 | M | 93.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -68.8 | -16.3 | 179.7 | -60 | -56.9 | 178.5 | 0 | 0 | 113.5 | F237 L261 K264 V265 F268 V279 A283 P287 T288 | F237-M290 HydrophobicContact CE1-CB 4.33Å; F237-M290 HydrophobicContact CE1-CG 3.65Å; F237-M290 HydrophobicContact CZ-CG 4.28Å; L261-M290 HydrophobicContact CD1-CB 3.81Å; L261-M290 HydrophobicContact CD1-CG 3.56Å; L261-M290 HydrophobicContact CD1-SD 4.12Å; K264-M290 HydrophobicContact CB-SD 4.13Å; K264-M290 HydrophobicContact CG-SD 3.49Å; K264-M290 WeakPolarHBondContact CG-SD 3.19Å; V265-M290 HydrophobicContact CG2-CE 4.46Å; F268-M290 HydrophobicContact CE2-CE 4.42Å; F268-M290 HydrophobicContact CE2-SD 4.09Å; V279-M290 HydrophobicContact CG1-CE 4.11Å; A283-M290 HydrophobicContact CB-CE 3.72Å; P287-M290 PolarHBondContact O-N 3.2Å; P287-M290 VanDerWaalsContact O-N 3.07Å; T288-M290 PolarHBondContact O-N 3.04Å |
| 291 | T | 92.5 | Very high | 94.8 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 18% | 0.178 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -90.5 | -10.1 | 175.6 | 77.2 | 0 | 0 | 0 | 0 | 112.9 | Y16 A252 V256 T288 L289 | Y16-T291 PolarHBondContact OH-O 3.08Å; A252-T291 HydrophobicContact CB-CG2 4.33Å; V256-T291 HydrophobicContact CG2-CG2 3.89Å; T288-T291 PolarHBondContact O-N 3.4Å; T288-T291 VanDerWaalsContact O-N 3.1Å; T288-T291 PolarHBondContact O-OG1 3.39Å; L289-T291 PolarHBondContact O-N 3.42Å |
| 292 | V | 94.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -75 | 138.4 | 178.5 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | K264 L289 R296 I297 R323 | K264-V292 WeakPolarHBondContact CE-O 3.39Å; K264-V292 PolarHBondContact NZ-O 3.13Å; L289-V292 HydrophobicContact CD1-CG2 4.4Å; L289-V292 WeakPolarHBondContact O-CB 3.22Å; L289-V292 PolarHBondContact O-N 2.93Å; L289-V292 VanDerWaalsContact O-N 3.11Å; V292-R296 HydrophobicContact CG1-CB 4.09Å; V292-R296 HydrophobicContact CG1-CG 4.18Å; V292-I297 HydrophobicContact CB-CD1 3.94Å; V292-I297 HydrophobicContact CB-CG1 4.22Å; V292-I297 HydrophobicContact CG1-CD1 4.15Å; V292-I297 HydrophobicContact CG1-CG1 3.9Å; V292-R323 HydrophobicContact CG2-CB 4.22Å; V292-R323 HydrophobicContact CG2-CG 3.96Å |
| 293 | S | 94.1 | Very high | 95 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 37% | 0.371 | 19% | 0.193 | S | C | . | . | trans | -55.6 | 141.6 | 176.3 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | E295 R296 I297 | S293-E295 PolarHBondContact O-N 3.06Å; S293-R296 PolarHBondContact O-N 3.24Å; S293-R296 VanDerWaalsContact OG-CB 3.22Å; S293-R296 WeakPolarHBondContact OG-CB 3.5Å; S293-R296 PolarHBondContact OG-N 3.36Å; S293-I297 PolarHBondContact O-N 3.03Å | ||
| 294 | A | 95.7 | Very high | 95.2 | Very high | 16 Ų | 16 | 40 Ų | 40 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.9 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W263 F267 R296 I297 R298 | W263-A294 HydrophobicContact CH2-CB 3.61Å; W263-A294 HydrophobicContact CZ3-CB 4.06Å; F267-A294 HydrophobicContact CD2-CB 4.16Å; F267-A294 HydrophobicContact CE1-CB 4.26Å; F267-A294 HydrophobicContact CE2-CB 3.86Å; F267-A294 HydrophobicContact CG-CB 4.49Å; F267-A294 HydrophobicContact CZ-CB 3.91Å; A294-R296 PolarHBondContact O-N 3.48Å; A294-I297 PolarHBondContact O-N 3.42Å; A294-I297 VanDerWaalsContact O-N 3.15Å; A294-R298 PolarHBondContact O-N 2.92Å |
| 295 | E | 95.8 | Very high | 95.3 | Very high | 96 Ų | 96 | 41.1 Ų | 41.1 | 45% | 0.449 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57 | -50.6 | 177.4 | -174.7 | 52.9 | -143.1 | 0 | 0 | 113 | S293 I297 R298 R299 | S293-E295 PolarHBondContact O-N 3.06Å; E295-I297 VanDerWaalsContact C-N 3.33Å; E295-I297 PolarHBondContact O-N 2.87Å; E295-R298 PolarHBondContact O-N 3.17Å; E295-R298 IonicContact OE2-NH1 3.52Å; E295-R298 PolarHBondContact OE2-NH1 3.3Å; E295-R299 WeakPolarHBondContact O-CG 3.37Å; E295-R299 PolarHBondContact O-N 3.48Å; E295-R299 WeakPolarHBondContact OE1-CD 3.37Å; E295-R299 WeakPolarHBondContact OE1-CG 3.3Å; E295-R299 IonicContact OE1-NE 2.68Å |
| 296 | R | 96.8 | Very high | 95.4 | Very high | 105 Ų | 105 | 39.8 Ų | 39.8 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 175.1 | -179.6 | 169.6 | -69.8 | 165.6 | -0.1 | 112.4 | V292 S293 A294 R298 N300 | V292-R296 HydrophobicContact CG1-CB 4.09Å; V292-R296 HydrophobicContact CG1-CG 4.18Å; S293-R296 PolarHBondContact O-N 3.24Å; S293-R296 VanDerWaalsContact OG-CB 3.22Å; S293-R296 WeakPolarHBondContact OG-CB 3.5Å; S293-R296 PolarHBondContact OG-N 3.36Å; A294-R296 PolarHBondContact O-N 3.48Å; R296-R298 VanDerWaalsContact C-N 3.31Å; R296-R298 PolarHBondContact O-N 3.15Å; R296-N300 WeakPolarHBondContact O-CB 3.37Å; R296-N300 PolarHBondContact O-N 3.4Å; R296-N300 PolarHBondContact O-OD1 3.46Å |
| 297 | I | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 178.6 | -72.5 | 160.4 | 0 | 0 | 0 | 110.4 | K264 F267 F268 L272 L289 V292 S293 A294 E295 W301 L322 | K264-I297 VanDerWaalsContact CE-CD1 3.46Å; K264-I297 VanDerWaalsContact NZ-CD1 3.26Å; F267-I297 HydrophobicContact CE1-CB 4.17Å; F267-I297 HydrophobicContact CE1-CG2 3.77Å; F267-I297 HydrophobicContact CZ-CB 4.47Å; F267-I297 HydrophobicContact CZ-CG2 4.26Å; F268-I297 HydrophobicContact CE1-CG2 4Å; F268-I297 HydrophobicContact CE2-CD1 4.49Å; F268-I297 HydrophobicContact CZ-CD1 3.97Å; F268-I297 HydrophobicContact CZ-CG2 4.13Å; L272-I297 HydrophobicContact CD1-CG2 3.74Å; L289-I297 HydrophobicContact CD1-CD1 4.04Å; L289-I297 HydrophobicContact CD1-CG1 4.15Å; L289-I297 HydrophobicContact CG-CD1 4.44Å; V292-I297 HydrophobicContact CB-CD1 3.94Å; V292-I297 HydrophobicContact CB-CG1 4.22Å; V292-I297 HydrophobicContact CG1-CD1 4.15Å; V292-I297 HydrophobicContact CG1-CG1 3.9Å; S293-I297 PolarHBondContact O-N 3.03Å; A294-I297 PolarHBondContact O-N 3.42Å; A294-I297 VanDerWaalsContact O-N 3.15Å; E295-I297 VanDerWaalsContact C-N 3.33Å; E295-I297 PolarHBondContact O-N 2.87Å; I297-W301 WeakPolarHBondContact O-CB 3.36Å; I297-W301 PolarHBondContact O-N 3.29Å; I297-L322 HydrophobicContact CG1-CB 4.28Å; I297-L322 HydrophobicContact CG2-CD1 4.36Å; I297-L322 HydrophobicContact CG2-CD2 4.23Å |
| 298 | R | 97.1 | Very high | 95.5 | Very high | 77 Ų | 77 | 45.7 Ų | 45.7 | 29% | 0.291 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.7 | -52 | 179.2 | -170 | -177.5 | -60.9 | 110.3 | -6.6 | 111.8 | F267 E271 A294 E295 R296 N300 W301 E302 | F267-R298 HydrophobicContact CZ-CB 4.42Å; E271-R298 IonicContact OE1-NH2 3.85Å; E271-R298 PolarHBondContact OE1-NH2 2.75Å; E271-R298 IonicContact OE2-CZ 2.83Å; E271-R298 IonicContact OE2-NE 2.9Å; E271-R298 PolarHBondContact OE2-NE 3Å; E271-R298 IonicContact OE2-NH2 3.96Å; E271-R298 PolarHBondContact OE2-NH2 2.89Å; A294-R298 PolarHBondContact O-N 2.92Å; E295-R298 PolarHBondContact O-N 3.17Å; E295-R298 IonicContact OE2-NH1 3.52Å; E295-R298 PolarHBondContact OE2-NH1 3.3Å; R296-R298 VanDerWaalsContact C-N 3.31Å; R296-R298 PolarHBondContact O-N 3.15Å; R298-N300 PolarHBondContact O-N 3.26Å; R298-W301 WeakPolarHBondContact O-CB 3.49Å; R298-W301 PolarHBondContact O-N 3.11Å; R298-E302 PolarHBondContact O-N 3.47Å |
| 299 | R | 97.1 | Very high | 95.5 | Very high | 85 Ų | 85 | 47.9 Ų | 47.9 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 179.8 | -64.5 | -167.9 | -65.3 | 124.7 | -6.1 | 112.3 | E295 W301 F303 L326 E327 | E295-R299 WeakPolarHBondContact O-CG 3.37Å; E295-R299 PolarHBondContact O-N 3.48Å; E295-R299 WeakPolarHBondContact OE1-CD 3.37Å; E295-R299 WeakPolarHBondContact OE1-CG 3.3Å; E295-R299 IonicContact OE1-NE 2.68Å; R299-W301 VanDerWaalsContact C-N 3.35Å; R299-F303 PolarHBondContact O-N 3.37Å; R299-F303 VanDerWaalsContact O-N 3.13Å; R299-L326 HydrophobicContact CB-CD2 3.88Å; R299-E327 IonicContact CZ-OE1 3.52Å; R299-E327 IonicContact NH1-OE1 3.58Å; R299-E327 PolarHBondContact NH1-OE1 2.87Å; R299-E327 IonicContact NH1-OE2 2.7Å |
| 300 | N | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 176.7 | -71.9 | 26.6 | 0 | 0 | 0 | 111.7 | R296 R298 L304 L321 L322 Y324 L326 L330 | R296-N300 WeakPolarHBondContact O-CB 3.37Å; R296-N300 PolarHBondContact O-N 3.4Å; R296-N300 PolarHBondContact O-OD1 3.46Å; R298-N300 PolarHBondContact O-N 3.26Å; N300-L304 WeakPolarHBondContact O-CB 3.42Å; N300-L304 WeakPolarHBondContact O-CD1 3.45Å; N300-L304 WeakPolarHBondContact O-CG 3.32Å; N300-L304 PolarHBondContact O-N 3.33Å; N300-L321 PolarHBondContact ND2-O 3.38Å; N300-L322 HydrophobicContact CB-CD2 4.31Å; N300-L322 PolarHBondContact ND2-O 3.08Å; N300-Y324 PolarHBondContact ND2-O 3.14Å; N300-L326 WeakPolarHBondContact OD1-CB 3.44Å; N300-L330 HydrophobicContact CB-CD1 4.4Å |
| 301 | W | 97.1 | Very high | 95.6 | Very high | 32 Ų | 32 | 53 Ų | 53 | 12% | 0.121 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 176.9 | 171.6 | -114.5 | 0 | 0 | 0 | 111.8 | L272 W274 I297 R298 R299 F303 L304 T305 A312 V315 L322 | L272-W301 HydrophobicContact CB-CG 4.47Å; L272-W301 HydrophobicContact CD1-CB 4.48Å; L272-W301 HydrophobicContact CD1-CG 4.3Å; L272-W301 HydrophobicContact CD2-CB 4.35Å; L272-W301 VanDerWaalsContact CD2-CD1 3.49Å; L272-W301 HydrophobicContact CD2-CG 4.01Å; L272-W301 HydrophobicContact CG-CG 4.49Å; W274-W301 HydrophobicContact CZ2-CE3 4.2Å; W274-W301 HydrophobicContact CZ2-CZ3 4.09Å; W274-W301 AromaticContact NE1-CE2 3.96Å; W274-W301 AromaticContact NE1-CE3 3.89Å; W274-W301 AromaticContact NE1-CH2 3.52Å; W274-W301 AromaticContact NE1-CZ2 3.67Å; W274-W301 AromaticContact NE1-CZ3 3.62Å; I297-W301 WeakPolarHBondContact O-CB 3.36Å; I297-W301 PolarHBondContact O-N 3.29Å; R298-W301 WeakPolarHBondContact O-CB 3.49Å; R298-W301 PolarHBondContact O-N 3.11Å; R299-W301 VanDerWaalsContact C-N 3.35Å; W301-F303 VanDerWaalsContact C-N 3.35Å; W301-F303 PolarHBondContact O-N 2.92Å; W301-L304 PolarHBondContact O-N 2.95Å; W301-T305 WeakPolarHBondContact O-CG2 3.44Å; W301-T305 PolarHBondContact O-N 3.44Å; W301-A312 HydrophobicContact CH2-CB 3.76Å; W301-A312 HydrophobicContact CZ3-CB 4.42Å; W301-V315 HydrophobicContact CE3-CB 4.41Å; W301-V315 HydrophobicContact CE3-CG1 4.28Å; W301-V315 HydrophobicContact CE3-CG2 4.24Å; W301-V315 HydrophobicContact CZ3-CB 3.96Å; W301-V315 HydrophobicContact CZ3-CG1 4.32Å; W301-V315 HydrophobicContact CZ3-CG2 3.76Å; W301-L322 HydrophobicContact CB-CD2 3.97Å |
| 302 | E | 96.9 | Very high | 95.7 | Very high | 122 Ų | 122 | 52.3 Ų | 52.3 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57 | -47 | 176.9 | -176.1 | 175.4 | -170.3 | 0 | 0 | 111.5 | R298 L304 T305 T306 | R298-E302 PolarHBondContact O-N 3.47Å; E302-L304 PolarHBondContact O-N 2.88Å; E302-T305 WeakPolarHBondContact O-CG2 3.37Å; E302-T305 PolarHBondContact O-N 2.64Å; E302-T306 WeakPolarHBondContact O-CB 3.43Å; E302-T306 PolarHBondContact O-N 2.74Å; E302-T306 PolarHBondContact O-OG1 3.42Å; E302-T306 VanDerWaalsContact O-OG1 3.08Å |
| 303 | F | 97.2 | Very high | 95.8 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 10% | 0.096 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -60.7 | -45.7 | 175.2 | 173.8 | -101.9 | 0 | 0 | 0 | 112.8 | R299 W301 T305 E307 V308 L326 L330 V331 F334 F351 | R299-F303 PolarHBondContact O-N 3.37Å; R299-F303 VanDerWaalsContact O-N 3.13Å; W301-F303 VanDerWaalsContact C-N 3.35Å; W301-F303 PolarHBondContact O-N 2.92Å; F303-T305 PolarHBondContact O-N 2.82Å; F303-E307 HydrophobicContact CD2-CB 3.79Å; F303-E307 HydrophobicContact CD2-CG 3.78Å; F303-E307 HydrophobicContact CE2-CB 3.76Å; F303-E307 HydrophobicContact CE2-CG 4.05Å; F303-E307 WeakPolarHBondContact O-CB 3.39Å; F303-E307 PolarHBondContact O-N 3.12Å; F303-V308 HydrophobicContact CD1-CG2 4.01Å; F303-V308 HydrophobicContact CE1-CG2 3.5Å; F303-V308 HydrophobicContact CZ-CG2 3.84Å; F303-V308 PolarHBondContact O-N 3.43Å; F303-L326 HydrophobicContact CB-CD1 3.59Å; F303-L326 HydrophobicContact CD1-CD1 3.72Å; F303-L326 HydrophobicContact CD2-CD1 4.16Å; F303-L326 HydrophobicContact CE1-CD1 4.47Å; F303-L326 HydrophobicContact CG-CD1 3.53Å; F303-L330 HydrophobicContact CD1-CB 4.17Å; F303-L330 HydrophobicContact CD1-CD1 4.44Å; F303-L330 HydrophobicContact CE1-CB 3.79Å; F303-V331 HydrophobicContact CD2-CG2 3.95Å; F303-V331 HydrophobicContact CE2-CB 4.45Å; F303-V331 HydrophobicContact CE2-CG2 3.64Å; F303-V331 HydrophobicContact CZ-CG2 4.04Å; F303-F334 HydrophobicContact CE1-CB 4.45Å; F303-F334 HydrophobicContact CE2-CD1 4.29Å; F303-F334 HydrophobicContact CZ-CB 3.69Å; F303-F334 AromaticContact CZ-CD1 3.97Å; F303-F334 HydrophobicContact CZ-CD1 3.97Å; F303-F334 AromaticContact CZ-CG 3.88Å; F303-F334 HydrophobicContact CZ-CG 3.88Å; F303-F351 HydrophobicContact CE1-CE1 4.17Å; F303-F351 HydrophobicContact CE1-CZ 4.16Å |
| 304 | L | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -66.5 | -37.6 | -177.8 | -70 | 165.5 | 0 | 0 | 0 | 112.3 | N300 W301 E302 V308 G309 M310 V315 L321 L322 F351 | N300-L304 WeakPolarHBondContact O-CB 3.42Å; N300-L304 WeakPolarHBondContact O-CD1 3.45Å; N300-L304 WeakPolarHBondContact O-CG 3.32Å; N300-L304 PolarHBondContact O-N 3.33Å; W301-L304 PolarHBondContact O-N 2.95Å; E302-L304 PolarHBondContact O-N 2.88Å; L304-V308 HydrophobicContact CD2-CG2 4.26Å; L304-V308 WeakPolarHBondContact O-CB 3.14Å; L304-G309 PolarHBondContact O-N 3.3Å; L304-G309 VanDerWaalsContact O-N 3.14Å; L304-M310 HydrophobicContact CD2-SD 4.14Å; L304-M310 PolarHBondContact O-N 2.88Å; L304-V315 HydrophobicContact CB-CG2 4.17Å; L304-V315 HydrophobicContact CD1-CG1 4.06Å; L304-V315 HydrophobicContact CD1-CG2 4.13Å; L304-L321 HydrophobicContact CD1-CB 3.67Å; L304-L321 HydrophobicContact CD2-CB 4.23Å; L304-L321 HydrophobicContact CD2-CD1 4.1Å; L304-L322 HydrophobicContact CD1-CD2 4.05Å; L304-F351 HydrophobicContact CD2-CD1 4.26Å; L304-F351 HydrophobicContact CD2-CE1 3.99Å |
| 305 | T | 95.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 59 Ų | 59 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -79.7 | -46.3 | 179.9 | -162.3 | 0 | 0 | 0 | 0 | 111.6 | W301 E302 F303 G309 | W301-T305 WeakPolarHBondContact O-CG2 3.44Å; W301-T305 PolarHBondContact O-N 3.44Å; E302-T305 WeakPolarHBondContact O-CG2 3.37Å; E302-T305 PolarHBondContact O-N 2.64Å; F303-T305 PolarHBondContact O-N 2.82Å; T305-G309 WeakPolarHBondContact O-CA 3.37Å; T305-G309 PolarHBondContact O-N 2.84Å |
| 306 | T | 95.5 | Very high | 95.8 | Very high | 93 Ų | 93 | 54.5 Ų | 54.5 | 57% | 0.571 | 27% | 0.273 | S | S | * | . | I | π-helix | trans | -80.9 | -48.1 | -172 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | E302 | E302-T306 WeakPolarHBondContact O-CB 3.43Å; E302-T306 PolarHBondContact O-N 2.74Å; E302-T306 PolarHBondContact O-OG1 3.42Å; E302-T306 VanDerWaalsContact O-OG1 3.08Å |
| 307 | E | 94.2 | Very high | 95.7 | Very high | 117 Ų | 117 | 51.3 Ų | 51.3 | 55% | 0.547 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -91.4 | -44.1 | -173.4 | -61.7 | -60.6 | 144 | 0 | 0 | 111.8 | F303 F334 | F303-E307 HydrophobicContact CD2-CB 3.79Å; F303-E307 HydrophobicContact CD2-CG 3.78Å; F303-E307 HydrophobicContact CE2-CB 3.76Å; F303-E307 HydrophobicContact CE2-CG 4.05Å; F303-E307 WeakPolarHBondContact O-CB 3.39Å; F303-E307 PolarHBondContact O-N 3.12Å; E307-F334 HydrophobicContact CB-CE1 4.24Å; E307-F334 WeakPolarHBondContact O-CZ 3.47Å |
| 308 | V | 94.4 | Very high | 95.6 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -82.6 | -28.5 | -177.3 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | F303 L304 M310 F334 F351 | F303-V308 HydrophobicContact CD1-CG2 4.01Å; F303-V308 HydrophobicContact CE1-CG2 3.5Å; F303-V308 HydrophobicContact CZ-CG2 3.84Å; F303-V308 PolarHBondContact O-N 3.43Å; L304-V308 HydrophobicContact CD2-CG2 4.26Å; L304-V308 WeakPolarHBondContact O-CB 3.14Å; V308-M310 HydrophobicContact CB-CG 4.4Å; V308-M310 HydrophobicContact CG1-CG 3.87Å; V308-M310 HydrophobicContact CG1-SD 4.33Å; V308-F334 HydrophobicContact CB-CD2 4.37Å; V308-F334 HydrophobicContact CB-CE2 3.99Å; V308-F334 HydrophobicContact CB-CZ 4.49Å; V308-F334 HydrophobicContact CG1-CD2 4.19Å; V308-F334 HydrophobicContact CG1-CE2 3.87Å; V308-F334 HydrophobicContact CG2-CD2 3.75Å; V308-F334 HydrophobicContact CG2-CE2 3.82Å; V308-F334 HydrophobicContact CG2-CG 4.22Å; V308-F334 HydrophobicContact CG2-CZ 4.32Å; V308-F351 HydrophobicContact CB-CD1 4.43Å; V308-F351 HydrophobicContact CG1-CB 3.81Å; V308-F351 HydrophobicContact CG1-CD1 3.58Å; V308-F351 HydrophobicContact CG1-CE1 4.38Å; V308-F351 HydrophobicContact CG1-CG 3.83Å; V308-F351 HydrophobicContact CG2-CD1 3.99Å; V308-F351 HydrophobicContact CG2-CE1 3.95Å |
| 309 | G | 93.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 51.5 Ų | 51.5 | 65% | 0.649 | 27% | 0.271 | S | S | * | . | trans | 75.5 | 32.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L304 T305 | L304-G309 PolarHBondContact O-N 3.3Å; L304-G309 VanDerWaalsContact O-N 3.14Å; T305-G309 WeakPolarHBondContact O-CA 3.37Å; T305-G309 PolarHBondContact O-N 2.84Å | ||
| 310 | M | 94.2 | Very high | 95.4 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | trans | -87.5 | 133.4 | 175.1 | -70.9 | -169.7 | 148.3 | 0 | 0 | 111.4 | L304 V308 R314 V315 L321 F351 N352 | L304-M310 HydrophobicContact CD2-SD 4.14Å; L304-M310 PolarHBondContact O-N 2.88Å; V308-M310 HydrophobicContact CB-CG 4.4Å; V308-M310 HydrophobicContact CG1-CG 3.87Å; V308-M310 HydrophobicContact CG1-SD 4.33Å; M310-R314 HydrophobicContact CE-CG 3.87Å; M310-R314 HydrophobicContact CG-CG 4.35Å; M310-R314 HydrophobicContact SD-CG 4.19Å; M310-V315 HydrophobicContact CB-CG2 3.78Å; M310-V315 HydrophobicContact SD-CG2 4.28Å; M310-L321 HydrophobicContact CE-CD1 4.43Å; M310-L321 HydrophobicContact SD-CD1 3.85Å; M310-F351 HydrophobicContact CE-CB 4.3Å; M310-N352 HydrophobicContact CE-CB 4.21Å | ||
| 311 | D | 94 | Very high | 95.3 | Very high | 96 Ų | 96 | 48.8 Ų | 48.8 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | trans | -77.3 | 167.4 | 169.5 | 62 | 36.9 | 0 | 0 | 0 | 112.5 | E313 R314 V315 | D311-E313 VanDerWaalsContact C-N 3.28Å; D311-E313 PolarHBondContact O-N 3.12Å; D311-E313 PolarHBondContact OD1-N 3.01Å; D311-R314 PolarHBondContact O-N 3.37Å; D311-R314 WeakPolarHBondContact OD1-CB 3.37Å; D311-R314 PolarHBondContact OD1-N 3.43Å; D311-V315 WeakPolarHBondContact O-CG2 3.28Å; D311-V315 PolarHBondContact O-N 2.88Å | ||
| 312 | A | 95.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -33.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W274 W301 V315 A316 | W274-A312 HydrophobicContact CD2-CB 4.48Å; W274-A312 HydrophobicContact CG-CB 4.3Å; W301-A312 HydrophobicContact CH2-CB 3.76Å; W301-A312 HydrophobicContact CZ3-CB 4.42Å; A312-V315 PolarHBondContact O-N 3.24Å; A312-A316 WeakPolarHBondContact O-CB 3.34Å; A312-A316 PolarHBondContact O-N 3.12Å |
| 313 | E | 95.4 | Very high | 95.2 | Very high | 135 Ų | 135 | 46.8 Ų | 46.8 | 63% | 0.631 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.7 | -42.5 | 178.7 | -175.1 | 176.6 | 175.2 | 0 | 0 | 111.5 | D311 A316 S317 | D311-E313 VanDerWaalsContact C-N 3.28Å; D311-E313 PolarHBondContact O-N 3.12Å; D311-E313 PolarHBondContact OD1-N 3.01Å; E313-A316 PolarHBondContact O-N 2.72Å; E313-S317 WeakPolarHBondContact O-CB 3.38Å; E313-S317 PolarHBondContact O-N 2.88Å; E313-S317 PolarHBondContact O-OG 3.09Å |
| 314 | R | 94.2 | Very high | 95.1 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 176.6 | -174.3 | 59.7 | 176.2 | -156.7 | -5.2 | 111.2 | M310 D311 S317 F318 D350 N352 | M310-R314 HydrophobicContact CE-CG 3.87Å; M310-R314 HydrophobicContact CG-CG 4.35Å; M310-R314 HydrophobicContact SD-CG 4.19Å; D311-R314 PolarHBondContact O-N 3.37Å; D311-R314 WeakPolarHBondContact OD1-CB 3.37Å; D311-R314 PolarHBondContact OD1-N 3.43Å; R314-S317 WeakPolarHBondContact O-CB 3.5Å; R314-S317 PolarHBondContact O-N 3.26Å; R314-F318 WeakPolarHBondContact O-CD2 3.42Å; R314-F318 PolarHBondContact O-N 3.24Å; R314-D350 IonicContact CZ-OD1 3.63Å; R314-D350 IonicContact NH2-OD1 2.78Å; R314-D350 PolarHBondContact NH2-OD1 2.81Å; R314-N352 PolarHBondContact NH2-OD1 3.39Å |
| 315 | V | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | W274 W301 L304 M310 D311 A312 S317 F318 L322 | W274-V315 HydrophobicContact CH2-CB 4.37Å; W274-V315 HydrophobicContact CH2-CG1 3.98Å; W274-V315 HydrophobicContact CZ2-CB 3.98Å; W274-V315 HydrophobicContact CZ2-CG1 3.73Å; W301-V315 HydrophobicContact CE3-CB 4.41Å; W301-V315 HydrophobicContact CE3-CG1 4.28Å; W301-V315 HydrophobicContact CE3-CG2 4.24Å; W301-V315 HydrophobicContact CZ3-CB 3.96Å; W301-V315 HydrophobicContact CZ3-CG1 4.32Å; W301-V315 HydrophobicContact CZ3-CG2 3.76Å; L304-V315 HydrophobicContact CB-CG2 4.17Å; L304-V315 HydrophobicContact CD1-CG1 4.06Å; L304-V315 HydrophobicContact CD1-CG2 4.13Å; M310-V315 HydrophobicContact CB-CG2 3.78Å; M310-V315 HydrophobicContact SD-CG2 4.28Å; D311-V315 WeakPolarHBondContact O-CG2 3.28Å; D311-V315 PolarHBondContact O-N 2.88Å; A312-V315 PolarHBondContact O-N 3.24Å; V315-S317 PolarHBondContact O-N 3.34Å; V315-F318 CarbonylContact O-C 3.4Å; V315-F318 PolarHBondContact O-N 3.19Å; V315-L322 HydrophobicContact CG1-CD1 3.85Å; V315-L322 HydrophobicContact CG1-CD2 3.94Å; V315-L322 HydrophobicContact CG1-CG 3.76Å |
| 316 | A | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -29.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W274 Q278 A282 A312 E313 F318 P319 | W274-A316 HydrophobicContact CE3-CB 4.38Å; W274-A316 HydrophobicContact CH2-CB 3.9Å; W274-A316 HydrophobicContact CZ3-CB 3.71Å; Q278-A316 HydrophobicContact CB-CB 4.07Å; Q278-A316 HydrophobicContact CG-CB 4.46Å; Q278-A316 WeakPolarHBondContact O-CB 3.13Å; A282-A316 HydrophobicContact CB-CB 4.33Å; A312-A316 WeakPolarHBondContact O-CB 3.34Å; A312-A316 PolarHBondContact O-N 3.12Å; E313-A316 PolarHBondContact O-N 2.72Å; A316-F318 VanDerWaalsContact C-N 3.32Å; A316-P319 WeakPolarHBondContact O-CD 3.23Å |
| 317 | S | 94.6 | Very high | 94.9 | Very high | 37 Ų | 37 | 47.1 Ų | 47.1 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -74.3 | -20.1 | 174.1 | -66.1 | 0 | 0 | 0 | 0 | 114.1 | K285 E313 R314 V315 | K285-S317 WeakPolarHBondContact CD-O 3.46Å; K285-S317 PolarHBondContact NZ-O 3.16Å; E313-S317 WeakPolarHBondContact O-CB 3.38Å; E313-S317 PolarHBondContact O-N 2.88Å; E313-S317 PolarHBondContact O-OG 3.09Å; R314-S317 WeakPolarHBondContact O-CB 3.5Å; R314-S317 PolarHBondContact O-N 3.26Å; V315-S317 PolarHBondContact O-N 3.34Å |
| 318 | F | 94.6 | Very high | 94.7 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 32% | 0.32 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -133.8 | 60 | 179.6 | -62.2 | -82.2 | 0 | 0 | 0 | 111.8 | R314 V315 A316 A320 L321 N352 | R314-F318 WeakPolarHBondContact O-CD2 3.42Å; R314-F318 PolarHBondContact O-N 3.24Å; V315-F318 CarbonylContact O-C 3.4Å; V315-F318 PolarHBondContact O-N 3.19Å; A316-F318 VanDerWaalsContact C-N 3.32Å; F318-A320 PolarHBondContact O-N 3.32Å; F318-L321 HydrophobicContact CB-CD1 3.98Å; F318-L321 HydrophobicContact CB-CG 4.3Å; F318-L321 WeakPolarHBondContact O-CG 3.09Å; F318-L321 PolarHBondContact O-N 3.05Å; F318-L321 VanDerWaalsContact O-N 3.09Å; F318-N352 HydrophobicContact CB-CB 4.33Å; F318-N352 HydrophobicContact CD1-CB 4.16Å; F318-N352 HydrophobicContact CD2-CB 4.21Å; F318-N352 HydrophobicContact CG-CB 3.97Å; F318-N352 WeakPolarHBondContact CZ-ND2 3.34Å |
| 319 | P | 94.9 | Very high | 94.7 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -62.8 | -18.5 | -169.7 | 25.1 | -35.6 | 0 | 0 | 0 | 114.1 | A282 K285 M286 L289 A316 L321 L322 | A282-P319 HydrophobicContact CB-CB 4Å; K285-P319 HydrophobicContact CB-CG 3.85Å; M286-P319 HydrophobicContact CB-CB 4.14Å; M286-P319 HydrophobicContact CB-CG 3.54Å; M286-P319 HydrophobicContact SD-CG 4.5Å; L289-P319 HydrophobicContact CD2-CB 3.97Å; A316-P319 WeakPolarHBondContact O-CD 3.23Å; P319-L321 PolarHBondContact O-N 3.36Å; P319-L321 VanDerWaalsContact O-N 3.14Å; P319-L322 WeakPolarHBondContact O-CB 3.18Å; P319-L322 PolarHBondContact O-N 2.95Å |
| 320 | A | 95.1 | Very high | 94.8 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 21% | 0.207 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -56.6 | -26.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M286 F318 L322 R323 Y324 | M286-A320 VanDerWaalsContact SD-CA 3.6Å; M286-A320 HydrophobicContact SD-CB 3.99Å; F318-A320 PolarHBondContact O-N 3.32Å; A320-L322 PolarHBondContact O-N 2.82Å; A320-R323 PolarHBondContact O-N 3.38Å; A320-Y324 HydrophobicContact CB-CE2 4.08Å; A320-Y324 WeakPolarHBondContact O-CD2 3.39Å; A320-Y324 PolarHBondContact O-N 2.88Å |
| 321 | L | 96.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -59.4 | -34.7 | 175.3 | -63 | 173.7 | 0 | 0 | 0 | 112.2 | N300 L304 M310 F318 P319 R323 Y324 L330 N352 A355 | N300-L321 PolarHBondContact ND2-O 3.38Å; L304-L321 HydrophobicContact CD1-CB 3.67Å; L304-L321 HydrophobicContact CD2-CB 4.23Å; L304-L321 HydrophobicContact CD2-CD1 4.1Å; M310-L321 HydrophobicContact CE-CD1 4.43Å; M310-L321 HydrophobicContact SD-CD1 3.85Å; F318-L321 HydrophobicContact CB-CD1 3.98Å; F318-L321 HydrophobicContact CB-CG 4.3Å; F318-L321 WeakPolarHBondContact O-CG 3.09Å; F318-L321 PolarHBondContact O-N 3.05Å; F318-L321 VanDerWaalsContact O-N 3.09Å; P319-L321 PolarHBondContact O-N 3.36Å; P319-L321 VanDerWaalsContact O-N 3.14Å; L321-R323 PolarHBondContact O-N 3.44Å; L321-Y324 HydrophobicContact CD2-CD2 4.2Å; L321-Y324 HydrophobicContact CD2-CE2 4.28Å; L321-L330 HydrophobicContact CD2-CD2 4.18Å; L321-L330 WeakPolarHBondContact O-CD1 3.5Å; L321-N352 HydrophobicContact CD1-CB 4.19Å; L321-A355 HydrophobicContact CD2-CB 3.51Å |
| 322 | L | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -74.9 | -9.6 | 178 | -62.6 | 168.9 | 0 | 0 | 0 | 113.4 | F268 W274 L289 I297 N300 W301 L304 V315 P319 A320 | F268-L322 HydrophobicContact CE1-CD1 4.1Å; W274-L322 HydrophobicContact CH2-CD1 3.79Å; W274-L322 HydrophobicContact CZ2-CD1 4.07Å; L289-L322 HydrophobicContact CD1-CB 3.8Å; L289-L322 HydrophobicContact CD1-CD1 4.31Å; L289-L322 HydrophobicContact CD2-CD1 4.16Å; I297-L322 HydrophobicContact CG1-CB 4.28Å; I297-L322 HydrophobicContact CG2-CD1 4.36Å; I297-L322 HydrophobicContact CG2-CD2 4.23Å; N300-L322 HydrophobicContact CB-CD2 4.31Å; N300-L322 PolarHBondContact ND2-O 3.08Å; W301-L322 HydrophobicContact CB-CD2 3.97Å; L304-L322 HydrophobicContact CD1-CD2 4.05Å; V315-L322 HydrophobicContact CG1-CD1 3.85Å; V315-L322 HydrophobicContact CG1-CD2 3.94Å; V315-L322 HydrophobicContact CG1-CG 3.76Å; P319-L322 WeakPolarHBondContact O-CB 3.18Å; P319-L322 PolarHBondContact O-N 2.95Å; A320-L322 PolarHBondContact O-N 2.82Å |
| 323 | R | 95.7 | Very high | 94.8 | Very high | 113 Ų | 113 | 37 Ų | 37 | 43% | 0.426 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -30.3 | 177.8 | -175.9 | -177.9 | 63.7 | 173.9 | -2.1 | 113 | M286 V292 A320 L321 | M286-R323 HydrophobicContact CE-CB 3.98Å; M286-R323 HydrophobicContact CE-CG 4.24Å; M286-R323 VanDerWaalsContact CE-NE 3.27Å; V292-R323 HydrophobicContact CG2-CB 4.22Å; V292-R323 HydrophobicContact CG2-CG 3.96Å; A320-R323 PolarHBondContact O-N 3.38Å; L321-R323 PolarHBondContact O-N 3.44Å |
| 324 | Y | 95.1 | Very high | 94.8 | Very high | 35 Ų | 35 | 31.2 Ų | 31.2 | 14% | 0.137 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -59.4 | 157.4 | -173.6 | -69.8 | -43.1 | 0 | 0 | 0 | 112.6 | N300 A320 L321 L326 L330 | N300-Y324 PolarHBondContact ND2-O 3.14Å; A320-Y324 HydrophobicContact CB-CE2 4.08Å; A320-Y324 WeakPolarHBondContact O-CD2 3.39Å; A320-Y324 PolarHBondContact O-N 2.88Å; L321-Y324 HydrophobicContact CD2-CD2 4.2Å; L321-Y324 HydrophobicContact CD2-CE2 4.28Å; Y324-L326 PolarHBondContact O-N 2.72Å; Y324-L330 HydrophobicContact CD2-CD2 4.02Å; Y324-L330 HydrophobicContact CG-CD2 4.49Å |
| 325 | D | 94.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 30.6 Ų | 30.6 | 31% | 0.305 | 15% | 0.151 | S | C | . | . | trans | -62.2 | 122.3 | 169.9 | -169.7 | -17.5 | 0 | 0 | 0 | 109.1 | E327 G328 R329 L330 K388 | D325-E327 PolarHBondContact OD1-N 3.25Å; D325-G328 PolarHBondContact OD1-N 3.16Å; D325-R329 HydrophobicContact CB-CB 4.33Å; D325-R329 WeakPolarHBondContact O-CB 3.48Å; D325-R329 PolarHBondContact O-N 3.16Å; D325-L330 PolarHBondContact O-N 2.95Å; D325-K388 IonicContact OD2-NZ 3.93Å; D325-K388 PolarHBondContact OD2-NZ 3.06Å | ||
| 326 | L | 95.4 | Very high | 94.6 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 10% | 0.099 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -70.3 | -57.7 | -175.2 | 176.6 | 58.1 | 0 | 0 | 0 | 109.5 | R299 N300 F303 Y324 L330 V331 | R299-L326 HydrophobicContact CB-CD2 3.88Å; N300-L326 WeakPolarHBondContact OD1-CB 3.44Å; F303-L326 HydrophobicContact CB-CD1 3.59Å; F303-L326 HydrophobicContact CD1-CD1 3.72Å; F303-L326 HydrophobicContact CD2-CD1 4.16Å; F303-L326 HydrophobicContact CE1-CD1 4.47Å; F303-L326 HydrophobicContact CG-CD1 3.53Å; Y324-L326 PolarHBondContact O-N 2.72Å; L326-L330 HydrophobicContact CD1-CB 4.13Å; L326-L330 HydrophobicContact CD1-CD1 4.1Å; L326-L330 PolarHBondContact O-N 2.73Å; L326-L330 VanDerWaalsContact O-N 3.09Å; L326-V331 HydrophobicContact CD1-CG2 3.91Å; L326-V331 HydrophobicContact CG-CG2 4.21Å; L326-V331 PolarHBondContact O-N 3.22Å |
| 327 | E | 92.3 | Very high | 94.4 | Very high | 67 Ų | 67 | 30.7 Ų | 30.7 | 31% | 0.313 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -75.9 | -38.7 | -176.1 | -57.2 | 77.1 | -165.8 | 0 | 0 | 110.9 | R299 D325 P332 | R299-E327 IonicContact CZ-OE1 3.52Å; R299-E327 IonicContact NH1-OE1 3.58Å; R299-E327 PolarHBondContact NH1-OE1 2.87Å; R299-E327 IonicContact NH1-OE2 2.7Å; D325-E327 PolarHBondContact OD1-N 3.25Å; E327-P332 WeakPolarHBondContact O-CD 3.42Å; E327-P332 WeakPolarHBondContact O-CG 3.48Å |
| 328 | G | 91.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -82.7 | -11.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D325 | D325-G328 PolarHBondContact OD1-N 3.16Å |
| 329 | R | 94.5 | Very high | 94.2 | Very high | 71 Ų | 71 | 32.4 Ų | 32.4 | 27% | 0.268 | 15% | 0.153 | S | C | . | . | I | π-helix | trans | -143.4 | -50.8 | -176 | 173.3 | 172.8 | -78.8 | 172 | -1.6 | 114.3 | D325 R333 | D325-R329 HydrophobicContact CB-CB 4.33Å; D325-R329 WeakPolarHBondContact O-CB 3.48Å; D325-R329 PolarHBondContact O-N 3.16Å; R329-R333 VanDerWaalsContact O-CB 3.28Å; R329-R333 WeakPolarHBondContact O-CB 3.22Å; R329-R333 WeakPolarHBondContact O-CD 3.28Å; R329-R333 WeakPolarHBondContact O-CG 3.43Å; R329-R333 PolarHBondContact O-N 3.41Å |
| 330 | L | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -70.5 | -54.4 | -173 | -65 | 179.2 | 0 | 0 | 0 | 111.6 | N300 F303 L321 Y324 D325 L326 R333 F334 F351 A355 | N300-L330 HydrophobicContact CB-CD1 4.4Å; F303-L330 HydrophobicContact CD1-CB 4.17Å; F303-L330 HydrophobicContact CD1-CD1 4.44Å; F303-L330 HydrophobicContact CE1-CB 3.79Å; L321-L330 HydrophobicContact CD2-CD2 4.18Å; L321-L330 WeakPolarHBondContact O-CD1 3.5Å; Y324-L330 HydrophobicContact CD2-CD2 4.02Å; Y324-L330 HydrophobicContact CG-CD2 4.49Å; D325-L330 PolarHBondContact O-N 2.95Å; L326-L330 HydrophobicContact CD1-CB 4.13Å; L326-L330 HydrophobicContact CD1-CD1 4.1Å; L326-L330 PolarHBondContact O-N 2.73Å; L326-L330 VanDerWaalsContact O-N 3.09Å; L330-R333 PolarHBondContact O-N 3.45Å; L330-F334 WeakPolarHBondContact O-CB 3.37Å; L330-F334 PolarHBondContact O-N 2.92Å; L330-F351 HydrophobicContact CB-CZ 4.39Å; L330-F351 HydrophobicContact CD2-CE1 4.18Å; L330-F351 HydrophobicContact CD2-CZ 4.16Å; L330-F351 WeakPolarHBondContact O-CZ 3.24Å; L330-A355 HydrophobicContact CD2-CB 3.92Å |
| 331 | V | 94.8 | Very high | 93.9 | Very high | 33 Ų | 33 | 33.1 Ų | 33.1 | 20% | 0.2 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -52.1 | -177.9 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | F303 L326 R333 F334 Q335 | F303-V331 HydrophobicContact CD2-CG2 3.95Å; F303-V331 HydrophobicContact CE2-CB 4.45Å; F303-V331 HydrophobicContact CE2-CG2 3.64Å; F303-V331 HydrophobicContact CZ-CG2 4.04Å; L326-V331 HydrophobicContact CD1-CG2 3.91Å; L326-V331 HydrophobicContact CG-CG2 4.21Å; L326-V331 PolarHBondContact O-N 3.22Å; V331-R333 VanDerWaalsContact C-N 3.31Å; V331-R333 PolarHBondContact O-N 3.48Å; V331-F334 PolarHBondContact O-N 3.4Å; V331-F334 VanDerWaalsContact O-N 3.16Å; V331-Q335 HydrophobicContact CG1-CG 4.38Å; V331-Q335 WeakPolarHBondContact O-CG 3.36Å; V331-Q335 PolarHBondContact O-N 3.02Å |
| 332 | P | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -41.5 | -178.3 | -26.8 | 36.4 | 0 | 0 | 0 | 112.8 | E327 Q335 V336 Y381 A384 V385 | E327-P332 WeakPolarHBondContact O-CD 3.42Å; E327-P332 WeakPolarHBondContact O-CG 3.48Å; P332-Q335 PolarHBondContact O-N 2.97Å; P332-V336 WeakPolarHBondContact O-CG2 3.43Å; P332-V336 PolarHBondContact O-N 3.24Å; P332-Y381 HydrophobicContact CB-CD2 3.71Å; P332-Y381 HydrophobicContact CB-CE2 3.52Å; P332-A384 HydrophobicContact CB-CB 3.72Å; P332-A384 HydrophobicContact CG-CB 3.8Å; P332-V385 HydrophobicContact CB-CG2 4.01Å; P332-V385 HydrophobicContact CG-CG2 3.85Å |
| 333 | R | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.7 | -34.6 | -179.3 | -65.3 | -175.2 | 179.5 | -162.8 | 1.8 | 112 | R329 L330 V331 M337 F351 I354 A355 I357 T358 E359 F362 Y381 | R329-R333 VanDerWaalsContact O-CB 3.28Å; R329-R333 WeakPolarHBondContact O-CB 3.22Å; R329-R333 WeakPolarHBondContact O-CD 3.28Å; R329-R333 WeakPolarHBondContact O-CG 3.43Å; R329-R333 PolarHBondContact O-N 3.41Å; L330-R333 PolarHBondContact O-N 3.45Å; V331-R333 VanDerWaalsContact C-N 3.31Å; V331-R333 PolarHBondContact O-N 3.48Å; R333-M337 WeakPolarHBondContact O-CB 3.06Å; R333-M337 PolarHBondContact O-N 3.46Å; R333-F351 HydrophobicContact CB-CE2 4.43Å; R333-I354 HydrophobicContact CB-CG2 4.11Å; R333-I354 PolarHBondContact NH1-O 2.95Å; R333-A355 PolarHBondContact NH1-O 2.86Å; R333-I357 PolarHBondContact NH1-O 3.39Å; R333-I357 PolarHBondContact NH2-O 3.15Å; R333-T358 PolarHBondContact NH2-O 2.78Å; R333-E359 IonicContact CZ-OE2 3.52Å; R333-E359 IonicContact NE-OE2 3.51Å; R333-E359 IonicContact NH2-OE2 2.7Å; R333-E359 PolarHBondContact NH2-OE2 3.48Å; R333-F362 HydrophobicContact CB-CD2 4.42Å; R333-F362 HydrophobicContact CB-CE2 3.79Å; R333-F362 HydrophobicContact CB-CZ 3.98Å; R333-F362 HydrophobicContact CG-CD1 4.2Å; R333-F362 HydrophobicContact CG-CD2 3.84Å; R333-F362 HydrophobicContact CG-CE1 3.95Å; R333-F362 HydrophobicContact CG-CE2 3.56Å; R333-F362 HydrophobicContact CG-CG 4.16Å; R333-F362 HydrophobicContact CG-CZ 3.61Å; R333-Y381 HydrophobicContact CG-CE2 4.2Å |
| 334 | F | 94.2 | Very high | 93.2 | Very high | 14 Ų | 14 | 48 Ų | 48 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 174.7 | -176.3 | -109.1 | 0 | 0 | 0 | 111.4 | F303 E307 V308 L330 V331 V336 M337 R338 F351 | F303-F334 HydrophobicContact CE1-CB 4.45Å; F303-F334 HydrophobicContact CE2-CD1 4.29Å; F303-F334 HydrophobicContact CZ-CB 3.69Å; F303-F334 AromaticContact CZ-CD1 3.97Å; F303-F334 HydrophobicContact CZ-CD1 3.97Å; F303-F334 AromaticContact CZ-CG 3.88Å; F303-F334 HydrophobicContact CZ-CG 3.88Å; E307-F334 HydrophobicContact CB-CE1 4.24Å; E307-F334 WeakPolarHBondContact O-CZ 3.47Å; V308-F334 HydrophobicContact CB-CD2 4.37Å; V308-F334 HydrophobicContact CB-CE2 3.99Å; V308-F334 HydrophobicContact CB-CZ 4.49Å; V308-F334 HydrophobicContact CG1-CD2 4.19Å; V308-F334 HydrophobicContact CG1-CE2 3.87Å; V308-F334 HydrophobicContact CG2-CD2 3.75Å; V308-F334 HydrophobicContact CG2-CE2 3.82Å; V308-F334 HydrophobicContact CG2-CG 4.22Å; V308-F334 HydrophobicContact CG2-CZ 4.32Å; L330-F334 WeakPolarHBondContact O-CB 3.37Å; L330-F334 PolarHBondContact O-N 2.92Å; V331-F334 PolarHBondContact O-N 3.4Å; V331-F334 VanDerWaalsContact O-N 3.16Å; F334-V336 PolarHBondContact O-N 2.98Å; F334-M337 HydrophobicContact CD2-CE 3.39Å; F334-M337 HydrophobicContact CE2-CE 3.36Å; F334-M337 HydrophobicContact CZ-CE 4.48Å; F334-M337 WeakPolarHBondContact O-CB 3.37Å; F334-M337 PolarHBondContact O-N 2.88Å; F334-R338 HydrophobicContact CD1-CG 4.12Å; F334-R338 HydrophobicContact CE1-CG 3.72Å; F334-R338 HydrophobicContact CE2-CG 4.26Å; F334-R338 HydrophobicContact CZ-CG 3.78Å; F334-R338 WeakPolarHBondContact O-CG 3.5Å; F334-R338 PolarHBondContact O-N 3.2Å; F334-F351 HydrophobicContact CB-CD2 4.26Å; F334-F351 HydrophobicContact CB-CE2 3.56Å; F334-F351 HydrophobicContact CB-CZ 3.88Å; F334-F351 AromaticContact CD2-CD2 3.85Å; F334-F351 HydrophobicContact CD2-CD2 3.85Å; F334-F351 AromaticContact CD2-CE2 3.99Å; F334-F351 HydrophobicContact CD2-CE2 3.99Å; F334-F351 HydrophobicContact CD2-CG 4.24Å; F334-F351 HydrophobicContact CD2-CZ 4.44Å; F334-F351 HydrophobicContact CG-CE2 4.28Å |
| 335 | Q | 92.8 | Very high | 93 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.9 | -47 | 176.1 | -71.5 | 179.3 | -1.6 | 0 | 0 | 111.8 | V331 P332 M337 R338 V339 A384 | V331-Q335 HydrophobicContact CG1-CG 4.38Å; V331-Q335 WeakPolarHBondContact O-CG 3.36Å; V331-Q335 PolarHBondContact O-N 3.02Å; P332-Q335 PolarHBondContact O-N 2.97Å; Q335-M337 VanDerWaalsContact C-N 3.31Å; Q335-M337 PolarHBondContact O-N 3.33Å; Q335-R338 PolarHBondContact O-N 3.03Å; Q335-V339 WeakPolarHBondContact O-CG2 3.33Å; Q335-V339 PolarHBondContact O-N 2.89Å; Q335-A384 VanDerWaalsContact OE1-CB 3.24Å |
| 336 | V | 92.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 174.2 | 167.6 | 0 | 0 | 0 | 0 | 110.8 | P332 F334 R338 V339 L340 F362 F366 I367 L377 Y381 | P332-V336 WeakPolarHBondContact O-CG2 3.43Å; P332-V336 PolarHBondContact O-N 3.24Å; F334-V336 PolarHBondContact O-N 2.98Å; V336-R338 PolarHBondContact O-N 3.37Å; V336-V339 PolarHBondContact O-N 3.33Å; V336-L340 HydrophobicContact CG1-CD1 4.03Å; V336-L340 HydrophobicContact CG1-CG 4.41Å; V336-L340 VanDerWaalsContact O-CG 3.3Å; V336-L340 WeakPolarHBondContact O-CG 3.45Å; V336-L340 PolarHBondContact O-N 2.91Å; V336-F362 HydrophobicContact CB-CZ 3.9Å; V336-F362 HydrophobicContact CG1-CE2 4.5Å; V336-F362 HydrophobicContact CG1-CZ 3.8Å; V336-F362 HydrophobicContact CG2-CZ 4.09Å; V336-F366 HydrophobicContact CG1-CB 4.36Å; V336-I367 HydrophobicContact CB-CD1 4.43Å; V336-I367 HydrophobicContact CG1-CD1 3.8Å; V336-I367 HydrophobicContact CG2-CD1 3.75Å; V336-L377 HydrophobicContact CG1-CD1 4.19Å; V336-L377 HydrophobicContact CG1-CD2 4.39Å; V336-L377 HydrophobicContact CG1-CG 4.47Å; V336-L377 HydrophobicContact CG2-CD1 4.29Å; V336-Y381 HydrophobicContact CG2-CD2 3.74Å; V336-Y381 HydrophobicContact CG2-CG 4.25Å |
| 337 | M | 92.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.3 | -47.4 | 177.3 | -174.4 | -172 | 71.2 | 0 | 0 | 111.8 | R333 F334 Q335 V339 L340 Q341 W346 F351 I354 | R333-M337 WeakPolarHBondContact O-CB 3.06Å; R333-M337 PolarHBondContact O-N 3.46Å; F334-M337 HydrophobicContact CD2-CE 3.39Å; F334-M337 HydrophobicContact CE2-CE 3.36Å; F334-M337 HydrophobicContact CZ-CE 4.48Å; F334-M337 WeakPolarHBondContact O-CB 3.37Å; F334-M337 PolarHBondContact O-N 2.88Å; Q335-M337 VanDerWaalsContact C-N 3.31Å; Q335-M337 PolarHBondContact O-N 3.33Å; M337-V339 PolarHBondContact O-N 3.43Å; M337-L340 PolarHBondContact O-N 3.27Å; M337-Q341 WeakPolarHBondContact O-CB 3.49Å; M337-Q341 WeakPolarHBondContact O-CG 3.25Å; M337-Q341 PolarHBondContact O-N 2.91Å; M337-W346 HydrophobicContact CG-CE3 3.8Å; M337-W346 HydrophobicContact CG-CH2 4.05Å; M337-W346 HydrophobicContact CG-CZ3 3.25Å; M337-W346 HydrophobicContact SD-CH2 3.99Å; M337-W346 HydrophobicContact SD-CZ3 3.61Å; M337-F351 HydrophobicContact CE-CB 4.15Å; M337-F351 HydrophobicContact CE-CD2 4.09Å; M337-F351 HydrophobicContact CE-CG 4.45Å; M337-F351 HydrophobicContact SD-CB 4.02Å; M337-F351 HydrophobicContact SD-CD2 4.01Å; M337-I354 HydrophobicContact CB-CD1 4.08Å; M337-I354 HydrophobicContact CG-CD1 3.71Å; M337-I354 HydrophobicContact SD-CD1 3.8Å |
| 338 | R | 92.1 | Very high | 91.4 | Very high | 115 Ų | 115 | 56.5 Ų | 56.5 | 43% | 0.434 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 177.7 | -71.9 | -69 | 113.2 | 167 | 8.3 | 111.9 | F334 Q335 V336 L340 Q341 A342 | F334-R338 HydrophobicContact CD1-CG 4.12Å; F334-R338 HydrophobicContact CE1-CG 3.72Å; F334-R338 HydrophobicContact CE2-CG 4.26Å; F334-R338 HydrophobicContact CZ-CG 3.78Å; F334-R338 WeakPolarHBondContact O-CG 3.5Å; F334-R338 PolarHBondContact O-N 3.2Å; Q335-R338 PolarHBondContact O-N 3.03Å; V336-R338 PolarHBondContact O-N 3.37Å; R338-L340 VanDerWaalsContact C-N 3.35Å; R338-L340 PolarHBondContact O-N 2.96Å; R338-Q341 VanDerWaalsContact NE-OE1 3.14Å; R338-Q341 PolarHBondContact O-N 3.33Å; R338-A342 WeakPolarHBondContact O-CB 3.45Å; R338-A342 PolarHBondContact O-N 3.41Å |
| 339 | V | 92.3 | Very high | 90.6 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | Q335 V336 M337 R343 V374 L377 I380 | Q335-V339 WeakPolarHBondContact O-CG2 3.33Å; Q335-V339 PolarHBondContact O-N 2.89Å; V336-V339 PolarHBondContact O-N 3.33Å; M337-V339 PolarHBondContact O-N 3.43Å; V339-R343 PolarHBondContact O-N 3.2Å; V339-V374 HydrophobicContact CG1-CG1 4.4Å; V339-L377 HydrophobicContact CB-CD1 4.2Å; V339-L377 HydrophobicContact CG1-CD1 3.83Å; V339-I380 HydrophobicContact CG2-CD1 4.34Å |
| 340 | L | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 177.9 | -66.6 | 178.1 | 0 | 0 | 0 | 112.3 | V336 M337 R338 R344 L345 W346 F366 F370 L377 | V336-L340 HydrophobicContact CG1-CD1 4.03Å; V336-L340 HydrophobicContact CG1-CG 4.41Å; V336-L340 VanDerWaalsContact O-CG 3.3Å; V336-L340 WeakPolarHBondContact O-CG 3.45Å; V336-L340 PolarHBondContact O-N 2.91Å; M337-L340 PolarHBondContact O-N 3.27Å; R338-L340 VanDerWaalsContact C-N 3.35Å; R338-L340 PolarHBondContact O-N 2.96Å; L340-R344 PolarHBondContact O-N 3.18Å; L340-L345 HydrophobicContact CD2-CB 4.25Å; L340-L345 HydrophobicContact CD2-CD1 4.22Å; L340-L345 PolarHBondContact O-N 3.27Å; L340-W346 HydrophobicContact CB-CB 3.86Å; L340-W346 HydrophobicContact CD1-CB 4.46Å; L340-W346 PolarHBondContact O-N 3.46Å; L340-F366 HydrophobicContact CD1-CB 4.49Å; L340-F366 HydrophobicContact CD1-CD1 4.23Å; L340-F370 HydrophobicContact CD1-CD2 3.88Å; L340-F370 HydrophobicContact CD1-CE2 3.9Å; L340-F370 HydrophobicContact CD1-CG 4.36Å; L340-F370 HydrophobicContact CD1-CZ 4.4Å; L340-F370 HydrophobicContact CD2-CB 3.69Å; L340-F370 HydrophobicContact CD2-CD1 3.7Å; L340-F370 HydrophobicContact CD2-CD2 3.85Å; L340-F370 HydrophobicContact CD2-CE1 4.27Å; L340-F370 HydrophobicContact CD2-CE2 4.39Å; L340-F370 HydrophobicContact CD2-CG 3.45Å; L340-F370 VanDerWaalsContact CD2-CG 3.45Å; L340-L377 HydrophobicContact CD2-CD2 3.89Å; L340-L377 HydrophobicContact CG-CD2 4.47Å |
| 341 | Q | 91.5 | Very high | 90 | Very high | 47 Ų | 47 | 66.4 Ų | 66.4 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.9 | -45.9 | 176 | -74.3 | 176.9 | -30.1 | 0 | 0 | 111.8 | M337 R338 R343 R344 W346 G348 | M337-Q341 WeakPolarHBondContact O-CB 3.49Å; M337-Q341 WeakPolarHBondContact O-CG 3.25Å; M337-Q341 PolarHBondContact O-N 2.91Å; R338-Q341 VanDerWaalsContact NE-OE1 3.14Å; R338-Q341 PolarHBondContact O-N 3.33Å; Q341-R343 PolarHBondContact O-N 3.07Å; Q341-R344 WeakPolarHBondContact O-CA 3.41Å; Q341-R344 PolarHBondContact O-N 3.05Å; Q341-W346 HydrophobicContact CG-CE3 3.81Å; Q341-W346 HydrophobicContact CG-CZ3 4.25Å; Q341-G348 PolarHBondContact NE2-O 3.23Å |
| 342 | A | 91.9 | Very high | 89.9 | Confident | 86 Ų | 86 | 65 Ų | 65 | 71% | 0.711 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.7 | -35.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R338 R344 | R338-A342 WeakPolarHBondContact O-CB 3.45Å; R338-A342 PolarHBondContact O-N 3.41Å; A342-R344 VanDerWaalsContact C-N 3.3Å; A342-R344 PolarHBondContact O-N 3.35Å |
| 343 | R | 91.9 | Very high | 89.7 | Confident | 122 Ų | 122 | 69.4 Ų | 69.4 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 5.5 | 175.3 | -68.4 | -173 | 167.1 | 118.9 | -9.4 | 114.4 | V339 Q341 L345 V374 | V339-R343 PolarHBondContact O-N 3.2Å; Q341-R343 PolarHBondContact O-N 3.07Å; R343-L345 HydrophobicContact CB-CD1 3.95Å; R343-L345 HydrophobicContact CB-CG 3.78Å; R343-L345 PolarHBondContact O-N 3.05Å; R343-L345 VanDerWaalsContact O-N 3.12Å; R343-V374 VanDerWaalsContact CD-CG2 3.44Å |
| 344 | R | 90.3 | Very high | 89.6 | Confident | 222 Ų | 222 | 69.5 Ų | 69.5 | 84% | 0.838 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 24.8 | -177.8 | -51.8 | -179.4 | 178.9 | -161.7 | -1.2 | 113.7 | L340 Q341 A342 | L340-R344 PolarHBondContact O-N 3.18Å; Q341-R344 WeakPolarHBondContact O-CA 3.41Å; Q341-R344 PolarHBondContact O-N 3.05Å; A342-R344 VanDerWaalsContact C-N 3.3Å; A342-R344 PolarHBondContact O-N 3.35Å |
| 345 | L | 90.2 | Very high | 89.5 | Confident | 45 Ų | 45 | 68.8 Ų | 68.8 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -85.7 | -22.2 | -179.2 | -62.6 | -178.2 | 0 | 0 | 0 | 112.4 | L340 R343 F370 K373 V374 | L340-L345 HydrophobicContact CD2-CB 4.25Å; L340-L345 HydrophobicContact CD2-CD1 4.22Å; L340-L345 PolarHBondContact O-N 3.27Å; R343-L345 HydrophobicContact CB-CD1 3.95Å; R343-L345 HydrophobicContact CB-CG 3.78Å; R343-L345 PolarHBondContact O-N 3.05Å; R343-L345 VanDerWaalsContact O-N 3.12Å; L345-F370 HydrophobicContact CB-CD1 3.86Å; L345-F370 HydrophobicContact CB-CE1 3.78Å; L345-F370 HydrophobicContact CD1-CD1 4.07Å; L345-F370 WeakPolarHBondContact O-CE1 3.23Å; L345-K373 HydrophobicContact CD1-CB 3.88Å; L345-K373 HydrophobicContact CD1-CD 4.3Å; L345-K373 HydrophobicContact CD2-CB 4.44Å; L345-K373 HydrophobicContact CD2-CD 3.46Å; L345-K373 VanDerWaalsContact CD2-CD 3.46Å; L345-V374 HydrophobicContact CD1-CG2 3.62Å |
| 346 | W | 84.5 | Confident | 89.5 | Confident | 52 Ų | 52 | 68.1 Ų | 68.1 | 20% | 0.197 | 32% | 0.317 | C | S | . | . | trans | -136.8 | 132.5 | 176.4 | -174.6 | 74 | 0 | 0 | 0 | 109.9 | M337 L340 Q341 G348 I354 F366 | M337-W346 HydrophobicContact CG-CE3 3.8Å; M337-W346 HydrophobicContact CG-CH2 4.05Å; M337-W346 HydrophobicContact CG-CZ3 3.25Å; M337-W346 HydrophobicContact SD-CH2 3.99Å; M337-W346 HydrophobicContact SD-CZ3 3.61Å; L340-W346 HydrophobicContact CB-CB 3.86Å; L340-W346 HydrophobicContact CD1-CB 4.46Å; L340-W346 PolarHBondContact O-N 3.46Å; Q341-W346 HydrophobicContact CG-CE3 3.81Å; Q341-W346 HydrophobicContact CG-CZ3 4.25Å; W346-G348 VanDerWaalsContact CE2-CA 3.5Å; W346-G348 VanDerWaalsContact CE3-O 3.28Å; W346-G348 VanDerWaalsContact CH2-CA 3.47Å; W346-G348 VanDerWaalsContact CH2-O 3.26Å; W346-G348 WeakPolarHBondContact CH2-O 3.42Å; W346-G348 WeakPolarHBondContact CZ3-O 3.37Å; W346-I354 HydrophobicContact CE3-CD1 4.48Å; W346-I354 HydrophobicContact CH2-CD1 3.32Å; W346-I354 HydrophobicContact CH2-CG1 4.23Å; W346-I354 HydrophobicContact CZ2-CD1 3.58Å; W346-I354 HydrophobicContact CZ2-CG1 4.24Å; W346-I354 HydrophobicContact CZ3-CD1 3.82Å; W346-F366 HydrophobicContact CD2-CE1 4.45Å; W346-F366 AromaticContact CE2-CE1 3.83Å; W346-F366 HydrophobicContact CZ2-CE1 4.14Å; W346-F366 AromaticContact NE1-CE1 3.67Å | ||
| 347 | R | 83.4 | Confident | 89.6 | Confident | 234 Ų | 234 | 69.8 Ų | 69.8 | 88% | 0.883 | 33% | 0.325 | S | S | * | . | trans | -107.2 | -1.8 | -178.2 | -63.7 | -173.1 | -172.7 | 167.3 | 1.8 | 113.7 | ||||
| 348 | G | 80.4 | Confident | 89.6 | Confident | 26 Ų | 26 | 73 Ų | 73 | 27% | 0.268 | 35% | 0.345 | S | S | . | . | trans | -64.9 | 158.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q341 W346 | Q341-G348 PolarHBondContact NE2-O 3.23Å; W346-G348 VanDerWaalsContact CE2-CA 3.5Å; W346-G348 VanDerWaalsContact CE3-O 3.28Å; W346-G348 VanDerWaalsContact CH2-CA 3.47Å; W346-G348 VanDerWaalsContact CH2-O 3.26Å; W346-G348 WeakPolarHBondContact CH2-O 3.42Å; W346-G348 WeakPolarHBondContact CZ3-O 3.37Å | ||
| 349 | R | 75.8 | Confident | 89.6 | Confident | 221 Ų | 221 | 70.5 Ų | 70.5 | 83% | 0.834 | 34% | 0.339 | S | S | * | . | trans | -121.1 | -18.8 | -178.4 | -66.2 | -168.1 | -81.3 | -158.5 | -1.9 | 113.1 | F351 | R349-F351 PolarHBondContact O-N 3.26Å; R349-F351 VanDerWaalsContact O-N 3.11Å | ||
| 350 | D | 85.5 | Confident | 89.7 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | trans | -83.9 | 91.4 | -171.7 | -63.9 | -49 | 0 | 0 | 0 | 112.4 | R314 N352 N353 | R314-D350 IonicContact CZ-OD1 3.63Å; R314-D350 IonicContact NH2-OD1 2.78Å; R314-D350 PolarHBondContact NH2-OD1 2.81Å; D350-N352 WeakPolarHBondContact CB-OD1 3.45Å; D350-N352 PolarHBondContact O-N 3.45Å; D350-N353 HydrophobicContact CB-CB 4.42Å; D350-N353 PolarHBondContact O-N 3.25Å | ||
| 351 | F | 92.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.009 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.4 | -35 | 173.4 | 176.8 | -116.5 | 0 | 0 | 0 | 112.5 | F303 L304 V308 M310 L330 R333 F334 M337 R349 N353 I354 A355 | F303-F351 HydrophobicContact CE1-CE1 4.17Å; F303-F351 HydrophobicContact CE1-CZ 4.16Å; L304-F351 HydrophobicContact CD2-CD1 4.26Å; L304-F351 HydrophobicContact CD2-CE1 3.99Å; V308-F351 HydrophobicContact CB-CD1 4.43Å; V308-F351 HydrophobicContact CG1-CB 3.81Å; V308-F351 HydrophobicContact CG1-CD1 3.58Å; V308-F351 HydrophobicContact CG1-CE1 4.38Å; V308-F351 HydrophobicContact CG1-CG 3.83Å; V308-F351 HydrophobicContact CG2-CD1 3.99Å; V308-F351 HydrophobicContact CG2-CE1 3.95Å; M310-F351 HydrophobicContact CE-CB 4.3Å; L330-F351 HydrophobicContact CB-CZ 4.39Å; L330-F351 HydrophobicContact CD2-CE1 4.18Å; L330-F351 HydrophobicContact CD2-CZ 4.16Å; L330-F351 WeakPolarHBondContact O-CZ 3.24Å; R333-F351 HydrophobicContact CB-CE2 4.43Å; F334-F351 HydrophobicContact CB-CD2 4.26Å; F334-F351 HydrophobicContact CB-CE2 3.56Å; F334-F351 HydrophobicContact CB-CZ 3.88Å; F334-F351 AromaticContact CD2-CD2 3.85Å; F334-F351 HydrophobicContact CD2-CD2 3.85Å; F334-F351 AromaticContact CD2-CE2 3.99Å; F334-F351 HydrophobicContact CD2-CE2 3.99Å; F334-F351 HydrophobicContact CD2-CG 4.24Å; F334-F351 HydrophobicContact CD2-CZ 4.44Å; F334-F351 HydrophobicContact CG-CE2 4.28Å; M337-F351 HydrophobicContact CE-CB 4.15Å; M337-F351 HydrophobicContact CE-CD2 4.09Å; M337-F351 HydrophobicContact CE-CG 4.45Å; M337-F351 HydrophobicContact SD-CB 4.02Å; M337-F351 HydrophobicContact SD-CD2 4.01Å; R349-F351 PolarHBondContact O-N 3.26Å; R349-F351 VanDerWaalsContact O-N 3.11Å; F351-N353 VanDerWaalsContact C-N 3.27Å; F351-N353 PolarHBondContact O-N 3.13Å; F351-I354 PolarHBondContact O-N 3.08Å; F351-A355 HydrophobicContact CE1-CB 4.19Å; F351-A355 HydrophobicContact CE2-CB 4.43Å; F351-A355 HydrophobicContact CZ-CB 4.12Å; F351-A355 WeakPolarHBondContact O-CB 3.24Å; F351-A355 PolarHBondContact O-N 3.11Å |
| 352 | N | 91.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.2 | -39.1 | 178.9 | 52.6 | -76.5 | 0 | 0 | 0 | 113.2 | M310 R314 F318 L321 D350 A355 A356 | M310-N352 HydrophobicContact CE-CB 4.21Å; R314-N352 PolarHBondContact NH2-OD1 3.39Å; F318-N352 HydrophobicContact CB-CB 4.33Å; F318-N352 HydrophobicContact CD1-CB 4.16Å; F318-N352 HydrophobicContact CD2-CB 4.21Å; F318-N352 HydrophobicContact CG-CB 3.97Å; F318-N352 WeakPolarHBondContact CZ-ND2 3.34Å; L321-N352 HydrophobicContact CD1-CB 4.19Å; D350-N352 WeakPolarHBondContact CB-OD1 3.45Å; D350-N352 PolarHBondContact O-N 3.45Å; N352-A355 PolarHBondContact O-N 3.42Å; N352-A356 VanDerWaalsContact O-CB 3.27Å; N352-A356 WeakPolarHBondContact O-CB 3.42Å; N352-A356 PolarHBondContact O-N 3.21Å |
| 353 | N | 89.3 | Confident | 89.9 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.9 | -35.6 | 179.8 | -70 | -21.5 | 0 | 0 | 0 | 111.6 | D350 F351 I357 | D350-N353 HydrophobicContact CB-CB 4.42Å; D350-N353 PolarHBondContact O-N 3.25Å; F351-N353 VanDerWaalsContact C-N 3.27Å; F351-N353 PolarHBondContact O-N 3.13Å; N353-I357 WeakPolarHBondContact O-CG2 3.23Å |
| 354 | I | 92.7 | Very high | 90 | Very high | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71 | -41 | 175.9 | -60.9 | -176.8 | 0 | 0 | 0 | 110.7 | R333 M337 W346 F351 A356 I357 F362 F366 | R333-I354 HydrophobicContact CB-CG2 4.11Å; R333-I354 PolarHBondContact NH1-O 2.95Å; M337-I354 HydrophobicContact CB-CD1 4.08Å; M337-I354 HydrophobicContact CG-CD1 3.71Å; M337-I354 HydrophobicContact SD-CD1 3.8Å; W346-I354 HydrophobicContact CE3-CD1 4.48Å; W346-I354 HydrophobicContact CH2-CD1 3.32Å; W346-I354 HydrophobicContact CH2-CG1 4.23Å; W346-I354 HydrophobicContact CZ2-CD1 3.58Å; W346-I354 HydrophobicContact CZ2-CG1 4.24Å; W346-I354 HydrophobicContact CZ3-CD1 3.82Å; F351-I354 PolarHBondContact O-N 3.08Å; I354-A356 VanDerWaalsContact C-N 3.31Å; I354-A356 PolarHBondContact O-N 3.2Å; I354-I357 WeakPolarHBondContact O-CG1 3.47Å; I354-F362 HydrophobicContact CG2-CD2 3.71Å; I354-F362 HydrophobicContact CG2-CE2 3.43Å; I354-F362 VanDerWaalsContact CG2-CE2 3.43Å; I354-F366 HydrophobicContact CD1-CD1 4.2Å; I354-F366 HydrophobicContact CD1-CE1 3.69Å; I354-F366 HydrophobicContact CD1-CZ 4.01Å; I354-F366 HydrophobicContact CG1-CE1 3.89Å; I354-F366 HydrophobicContact CG1-CE2 4.15Å; I354-F366 HydrophobicContact CG1-CZ 3.66Å |
| 355 | A | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -31.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L321 L330 R333 F351 N352 | L321-A355 HydrophobicContact CD2-CB 3.51Å; L330-A355 HydrophobicContact CD2-CB 3.92Å; R333-A355 PolarHBondContact NH1-O 2.86Å; F351-A355 HydrophobicContact CE1-CB 4.19Å; F351-A355 HydrophobicContact CE2-CB 4.43Å; F351-A355 HydrophobicContact CZ-CB 4.12Å; F351-A355 WeakPolarHBondContact O-CB 3.24Å; F351-A355 PolarHBondContact O-N 3.11Å; N352-A355 PolarHBondContact O-N 3.42Å |
| 356 | A | 92.8 | Very high | 90.1 | Very high | 55 Ų | 55 | 62.8 Ų | 62.8 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -84.8 | -23.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N352 I354 | N352-A356 VanDerWaalsContact O-CB 3.27Å; N352-A356 WeakPolarHBondContact O-CB 3.42Å; N352-A356 PolarHBondContact O-N 3.21Å; I354-A356 VanDerWaalsContact C-N 3.31Å; I354-A356 PolarHBondContact O-N 3.2Å |
| 357 | I | 93.2 | Very high | 90.5 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 19% | 0.185 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -70 | 162 | -178.3 | 56 | 175.1 | 0 | 0 | 0 | 112.4 | R333 N353 I354 D361 F362 K365 F366 | R333-I357 PolarHBondContact NH1-O 3.39Å; R333-I357 PolarHBondContact NH2-O 3.15Å; N353-I357 WeakPolarHBondContact O-CG2 3.23Å; I354-I357 WeakPolarHBondContact O-CG1 3.47Å; I357-D361 HydrophobicContact CB-CB 4.04Å; I357-D361 HydrophobicContact CD1-CB 4.26Å; I357-F362 HydrophobicContact CD1-CB 3.94Å; I357-F362 HydrophobicContact CD1-CD2 4.3Å; I357-F362 HydrophobicContact CG1-CB 4.11Å; I357-K365 HydrophobicContact CD1-CD 4.47Å; I357-F366 HydrophobicContact CD1-CD2 3.87Å; I357-F366 HydrophobicContact CD1-CE2 3.61Å |
| 358 | T | 93.9 | Very high | 90.9 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | trans | -66.4 | 168.8 | 177 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | R333 E360 D361 F362 | R333-T358 PolarHBondContact NH2-O 2.78Å; T358-E360 VanDerWaalsContact C-N 3.33Å; T358-E360 WeakPolarHBondContact CB-OE2 3.33Å; T358-E360 PolarHBondContact OG1-OE2 3.24Å; T358-D361 WeakPolarHBondContact OG1-CB 3.48Å; T358-D361 PolarHBondContact OG1-N 2.93Å; T358-F362 VanDerWaalsContact O-CB 3.28Å; T358-F362 WeakPolarHBondContact O-CB 3.4Å; T358-F362 PolarHBondContact O-N 3.27Å | ||
| 359 | E | 92.4 | Very high | 91.4 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 29% | 0.29 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 177.8 | -172.7 | 59.2 | -161.9 | 0 | 0 | 111.4 | R333 D361 F362 V363 Y381 | R333-E359 IonicContact CZ-OE2 3.52Å; R333-E359 IonicContact NE-OE2 3.51Å; R333-E359 IonicContact NH2-OE2 2.7Å; R333-E359 PolarHBondContact NH2-OE2 3.48Å; E359-D361 PolarHBondContact O-N 3.23Å; E359-F362 PolarHBondContact O-N 2.98Å; E359-V363 WeakPolarHBondContact O-CG2 3.28Å; E359-V363 PolarHBondContact O-N 3.27Å; E359-Y381 WeakPolarHBondContact OE1-CE1 3.35Å; E359-Y381 VanDerWaalsContact OE1-CZ 3.24Å; E359-Y381 PolarHBondContact OE1-OH 3.48Å; E359-Y381 PolarHBondContact OE2-OH 3.03Å |
| 360 | E | 93.4 | Very high | 92.2 | Very high | 117 Ų | 117 | 50.8 Ų | 50.8 | 55% | 0.547 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 178.9 | -58.8 | 74.1 | -160.4 | 0 | 0 | 111 | T358 A364 | T358-E360 VanDerWaalsContact C-N 3.33Å; T358-E360 WeakPolarHBondContact CB-OE2 3.33Å; T358-E360 PolarHBondContact OG1-OE2 3.24Å; E360-A364 VanDerWaalsContact O-CB 3.24Å; E360-A364 WeakPolarHBondContact O-CB 3.29Å; E360-A364 PolarHBondContact O-N 3.4Å |
| 361 | D | 94.5 | Very high | 92.5 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 35% | 0.348 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 176.6 | -93.4 | 24.2 | 0 | 0 | 0 | 111.8 | I357 T358 E359 A364 K365 | I357-D361 HydrophobicContact CB-CB 4.04Å; I357-D361 HydrophobicContact CD1-CB 4.26Å; T358-D361 WeakPolarHBondContact OG1-CB 3.48Å; T358-D361 PolarHBondContact OG1-N 2.93Å; E359-D361 PolarHBondContact O-N 3.23Å; D361-A364 PolarHBondContact O-N 3.23Å; D361-K365 VanDerWaalsContact O-CB 3.26Å; D361-K365 WeakPolarHBondContact O-CB 3.25Å; D361-K365 VanDerWaalsContact O-CG 3.32Å; D361-K365 WeakPolarHBondContact O-CG 3.43Å; D361-K365 PolarHBondContact O-N 3.02Å; D361-K365 IonicContact OD2-NZ 3.77Å; D361-K365 PolarHBondContact OD2-NZ 2.92Å |
| 362 | F | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 178.1 | 176.9 | -97.2 | 0 | 0 | 0 | 110.7 | R333 V336 I354 I357 T358 E359 A364 K365 F366 I367 Y381 | R333-F362 HydrophobicContact CB-CD2 4.42Å; R333-F362 HydrophobicContact CB-CE2 3.79Å; R333-F362 HydrophobicContact CB-CZ 3.98Å; R333-F362 HydrophobicContact CG-CD1 4.2Å; R333-F362 HydrophobicContact CG-CD2 3.84Å; R333-F362 HydrophobicContact CG-CE1 3.95Å; R333-F362 HydrophobicContact CG-CE2 3.56Å; R333-F362 HydrophobicContact CG-CG 4.16Å; R333-F362 HydrophobicContact CG-CZ 3.61Å; V336-F362 HydrophobicContact CB-CZ 3.9Å; V336-F362 HydrophobicContact CG1-CE2 4.5Å; V336-F362 HydrophobicContact CG1-CZ 3.8Å; V336-F362 HydrophobicContact CG2-CZ 4.09Å; I354-F362 HydrophobicContact CG2-CD2 3.71Å; I354-F362 HydrophobicContact CG2-CE2 3.43Å; I354-F362 VanDerWaalsContact CG2-CE2 3.43Å; I357-F362 HydrophobicContact CD1-CB 3.94Å; I357-F362 HydrophobicContact CD1-CD2 4.3Å; I357-F362 HydrophobicContact CG1-CB 4.11Å; T358-F362 VanDerWaalsContact O-CB 3.28Å; T358-F362 WeakPolarHBondContact O-CB 3.4Å; T358-F362 PolarHBondContact O-N 3.27Å; E359-F362 PolarHBondContact O-N 2.98Å; F362-A364 PolarHBondContact O-N 2.94Å; F362-K365 PolarHBondContact O-N 3.24Å; F362-F366 HydrophobicContact CD2-CB 4.13Å; F362-F366 AromaticContact CD2-CD2 3.89Å; F362-F366 HydrophobicContact CD2-CD2 3.89Å; F362-F366 HydrophobicContact CD2-CG 4.26Å; F362-F366 HydrophobicContact CE2-CB 3.81Å; F362-F366 HydrophobicContact CE2-CD2 4.22Å; F362-F366 HydrophobicContact CE2-CG 4.14Å; F362-F366 HydrophobicContact CZ-CB 4.17Å; F362-F366 WeakPolarHBondContact O-CA 3.5Å; F362-F366 WeakPolarHBondContact O-CB 3.36Å; F362-F366 PolarHBondContact O-N 2.57Å; F362-I367 HydrophobicContact CD1-CG1 4.29Å; F362-I367 HydrophobicContact CE1-CD1 3.84Å; F362-I367 HydrophobicContact CE1-CG1 3.84Å; F362-I367 HydrophobicContact CZ-CD1 4.24Å; F362-Y381 HydrophobicContact CD1-CE1 4.35Å; F362-Y381 AromaticContact CD1-CE2 3.93Å; F362-Y381 HydrophobicContact CD1-CE2 3.93Å; F362-Y381 AromaticContact CD1-CZ 3.74Å; F362-Y381 AromaticContact CE1-CD2 3.69Å; F362-Y381 HydrophobicContact CE1-CD2 3.69Å; F362-Y381 HydrophobicContact CE1-CE1 4.18Å; F362-Y381 AromaticContact CE1-CE2 3.25Å; F362-Y381 HydrophobicContact CE1-CE2 3.25Å; F362-Y381 HydrophobicContact CE1-CG 4.3Å; F362-Y381 AromaticContact CE1-CZ 3.53Å; F362-Y381 HydrophobicContact CZ-CD2 4.31Å; F362-Y381 HydrophobicContact CZ-CE2 4.01Å |
| 363 | V | 92.3 | Very high | 92.2 | Very high | 33 Ų | 33 | 63.2 Ų | 63.2 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -61.8 | -43.8 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | E359 K365 I367 R368 Y381 | E359-V363 WeakPolarHBondContact O-CG2 3.28Å; E359-V363 PolarHBondContact O-N 3.27Å; V363-K365 PolarHBondContact O-N 3.01Å; V363-I367 HydrophobicContact CG1-CB 4.33Å; V363-I367 HydrophobicContact CG2-CG1 4.44Å; V363-I367 WeakPolarHBondContact O-CB 3.22Å; V363-I367 PolarHBondContact O-N 2.68Å; V363-R368 HydrophobicContact CG1-CG 4.05Å; V363-R368 PolarHBondContact O-N 2.91Å; V363-Y381 HydrophobicContact CG2-CE1 4.43Å |
| 364 | A | 93.3 | Very high | 92.2 | Very high | 42 Ų | 42 | 59 Ų | 59 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -66.4 | -36.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E360 D361 F362 P369 | E360-A364 VanDerWaalsContact O-CB 3.24Å; E360-A364 WeakPolarHBondContact O-CB 3.29Å; E360-A364 PolarHBondContact O-N 3.4Å; D361-A364 PolarHBondContact O-N 3.23Å; F362-A364 PolarHBondContact O-N 2.94Å; A364-P369 WeakPolarHBondContact O-CD 3.43Å; A364-P369 VanDerWaalsContact O-CG 3.23Å; A364-P369 WeakPolarHBondContact O-CG 3.36Å |
| 365 | K | 91.9 | Very high | 91.9 | Very high | 108 Ų | 108 | 63.7 Ų | 63.7 | 47% | 0.47 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -93.5 | -36.7 | -175.2 | -67.6 | 171.7 | -178 | 161.6 | 0 | 113.5 | I357 D361 F362 V363 F370 | I357-K365 HydrophobicContact CD1-CD 4.47Å; D361-K365 VanDerWaalsContact O-CB 3.26Å; D361-K365 WeakPolarHBondContact O-CB 3.25Å; D361-K365 VanDerWaalsContact O-CG 3.32Å; D361-K365 WeakPolarHBondContact O-CG 3.43Å; D361-K365 PolarHBondContact O-N 3.02Å; D361-K365 IonicContact OD2-NZ 3.77Å; D361-K365 PolarHBondContact OD2-NZ 2.92Å; F362-K365 PolarHBondContact O-N 3.24Å; V363-K365 PolarHBondContact O-N 3.01Å; K365-F370 WeakPolarHBondContact O-CE2 3.5Å |
| 366 | F | 91.8 | Very high | 91.6 | Very high | 26 Ų | 26 | 66.1 Ų | 66.1 | 11% | 0.114 | 36% | 0.355 | C | S | . | . | I | π-helix | trans | -116.2 | -13.6 | -168.8 | -64.6 | -82.8 | 0 | 0 | 0 | 114.7 | V336 L340 W346 I354 I357 F362 F370 L377 | V336-F366 HydrophobicContact CG1-CB 4.36Å; L340-F366 HydrophobicContact CD1-CB 4.49Å; L340-F366 HydrophobicContact CD1-CD1 4.23Å; W346-F366 HydrophobicContact CD2-CE1 4.45Å; W346-F366 AromaticContact CE2-CE1 3.83Å; W346-F366 HydrophobicContact CZ2-CE1 4.14Å; W346-F366 AromaticContact NE1-CE1 3.67Å; I354-F366 HydrophobicContact CD1-CD1 4.2Å; I354-F366 HydrophobicContact CD1-CE1 3.69Å; I354-F366 HydrophobicContact CD1-CZ 4.01Å; I354-F366 HydrophobicContact CG1-CE1 3.89Å; I354-F366 HydrophobicContact CG1-CE2 4.15Å; I354-F366 HydrophobicContact CG1-CZ 3.66Å; I357-F366 HydrophobicContact CD1-CD2 3.87Å; I357-F366 HydrophobicContact CD1-CE2 3.61Å; F362-F366 HydrophobicContact CD2-CB 4.13Å; F362-F366 AromaticContact CD2-CD2 3.89Å; F362-F366 HydrophobicContact CD2-CD2 3.89Å; F362-F366 HydrophobicContact CD2-CG 4.26Å; F362-F366 HydrophobicContact CE2-CB 3.81Å; F362-F366 HydrophobicContact CE2-CD2 4.22Å; F362-F366 HydrophobicContact CE2-CG 4.14Å; F362-F366 HydrophobicContact CZ-CB 4.17Å; F362-F366 WeakPolarHBondContact O-CA 3.5Å; F362-F366 WeakPolarHBondContact O-CB 3.36Å; F362-F366 PolarHBondContact O-N 2.57Å; F366-F370 WeakPolarHBondContact O-CD2 3.42Å; F366-L377 WeakPolarHBondContact O-CD2 3.33Å |
| 367 | I | 91.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | I | π-helix | trans | -106 | -68.6 | 176.2 | -53.7 | -63.2 | 0 | 0 | 0 | 110.3 | V336 F362 V363 P369 F370 L371 L377 A378 Y381 | V336-I367 HydrophobicContact CB-CD1 4.43Å; V336-I367 HydrophobicContact CG1-CD1 3.8Å; V336-I367 HydrophobicContact CG2-CD1 3.75Å; F362-I367 HydrophobicContact CD1-CG1 4.29Å; F362-I367 HydrophobicContact CE1-CD1 3.84Å; F362-I367 HydrophobicContact CE1-CG1 3.84Å; F362-I367 HydrophobicContact CZ-CD1 4.24Å; V363-I367 HydrophobicContact CG1-CB 4.33Å; V363-I367 HydrophobicContact CG2-CG1 4.44Å; V363-I367 WeakPolarHBondContact O-CB 3.22Å; V363-I367 PolarHBondContact O-N 2.68Å; I367-P369 VanDerWaalsContact C-CD 3.49Å; I367-F370 PolarHBondContact O-N 3.21Å; I367-L371 HydrophobicContact CG2-CD2 3.97Å; I367-L371 HydrophobicContact CG2-CG 4.31Å; I367-L371 WeakPolarHBondContact O-CG 3.46Å; I367-L371 PolarHBondContact O-N 2.96Å; I367-L377 HydrophobicContact CD1-CD2 4.23Å; I367-L377 HydrophobicContact CD1-CG 4.09Å; I367-A378 HydrophobicContact CG2-CB 4.46Å; I367-Y381 HydrophobicContact CD1-CD1 4.49Å; I367-Y381 HydrophobicContact CD1-CD2 4.47Å; I367-Y381 HydrophobicContact CD1-CG 4.07Å |
| 368 | R | 92.2 | Very high | 91 | Very high | 170 Ų | 170 | 62.9 Ų | 62.9 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -51.8 | -46.8 | -171.2 | -67.7 | -179.6 | -177.2 | 166.8 | 1.4 | 114.4 | V363 F370 L371 | V363-R368 HydrophobicContact CG1-CG 4.05Å; V363-R368 PolarHBondContact O-N 2.91Å; R368-F370 PolarHBondContact O-N 3Å; R368-L371 PolarHBondContact O-N 3.22Å |
| 369 | P | 91.9 | Very high | 90.6 | Very high | 75 Ų | 75 | 66.9 Ų | 66.9 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -66.7 | -23.1 | -177 | -21.4 | 35.9 | 0 | 0 | 0 | 113.1 | A364 I367 | A364-P369 WeakPolarHBondContact O-CD 3.43Å; A364-P369 VanDerWaalsContact O-CG 3.23Å; A364-P369 WeakPolarHBondContact O-CG 3.36Å; I367-P369 VanDerWaalsContact C-CD 3.49Å |
| 370 | F | 92.3 | Very high | 90 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 13% | 0.132 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -99.3 | -8.4 | -175.3 | -60.7 | -75.6 | 0 | 0 | 0 | 113.2 | L340 L345 K365 F366 I367 R368 V372 K373 V374 L377 | L340-F370 HydrophobicContact CD1-CD2 3.88Å; L340-F370 HydrophobicContact CD1-CE2 3.9Å; L340-F370 HydrophobicContact CD1-CG 4.36Å; L340-F370 HydrophobicContact CD1-CZ 4.4Å; L340-F370 HydrophobicContact CD2-CB 3.69Å; L340-F370 HydrophobicContact CD2-CD1 3.7Å; L340-F370 HydrophobicContact CD2-CD2 3.85Å; L340-F370 HydrophobicContact CD2-CE1 4.27Å; L340-F370 HydrophobicContact CD2-CE2 4.39Å; L340-F370 HydrophobicContact CD2-CG 3.45Å; L340-F370 VanDerWaalsContact CD2-CG 3.45Å; L345-F370 HydrophobicContact CB-CD1 3.86Å; L345-F370 HydrophobicContact CB-CE1 3.78Å; L345-F370 HydrophobicContact CD1-CD1 4.07Å; L345-F370 WeakPolarHBondContact O-CE1 3.23Å; K365-F370 WeakPolarHBondContact O-CE2 3.5Å; F366-F370 WeakPolarHBondContact O-CD2 3.42Å; I367-F370 PolarHBondContact O-N 3.21Å; R368-F370 PolarHBondContact O-N 3Å; F370-V372 PolarHBondContact O-N 2.86Å; F370-K373 CarbonylContact O-C 3.56Å; F370-K373 PolarHBondContact O-N 2.99Å; F370-V374 PolarHBondContact O-N 2.91Å; F370-L377 HydrophobicContact CB-CD2 3.79Å |
| 371 | L | 91 | Very high | 89.7 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30 | 178.8 | -67.5 | 179.7 | 0 | 0 | 0 | 113.3 | I367 R368 K373 V374 P375 L377 A378 | I367-L371 HydrophobicContact CG2-CD2 3.97Å; I367-L371 HydrophobicContact CG2-CG 4.31Å; I367-L371 WeakPolarHBondContact O-CG 3.46Å; I367-L371 PolarHBondContact O-N 2.96Å; R368-L371 PolarHBondContact O-N 3.22Å; L371-K373 VanDerWaalsContact C-N 3.33Å; L371-V374 CarbonylContact O-C 3.59Å; L371-P375 VanDerWaalsContact O-CA 3.28Å; L371-P375 WeakPolarHBondContact O-CA 3.44Å; L371-P375 VanDerWaalsContact O-N 3.16Å; L371-L377 HydrophobicContact CD2-CB 4.23Å; L371-A378 HydrophobicContact CD2-CB 3.82Å |
| 372 | V | 89 | Confident | 89.2 | Confident | 132 Ų | 132 | 62.5 Ų | 62.5 | 80% | 0.8 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -39 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | F370 | F370-V372 PolarHBondContact O-N 2.86Š|
| 373 | K | 88.5 | Confident | 88.5 | Confident | 147 Ų | 147 | 65 Ų | 65 | 64% | 0.639 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -23.4 | -178 | -62.2 | -175 | -179.3 | -179.3 | 0 | 112.7 | L345 F370 L371 | L345-K373 HydrophobicContact CD1-CB 3.88Å; L345-K373 HydrophobicContact CD1-CD 4.3Å; L345-K373 HydrophobicContact CD2-CB 4.44Å; L345-K373 HydrophobicContact CD2-CD 3.46Å; L345-K373 VanDerWaalsContact CD2-CD 3.46Å; F370-K373 CarbonylContact O-C 3.56Å; F370-K373 PolarHBondContact O-N 2.99Å; L371-K373 VanDerWaalsContact C-N 3.33Å |
| 374 | V | 89.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | trans | -138.4 | 80.1 | -179.7 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | V339 R343 L345 F370 L371 S376 L377 | V339-V374 HydrophobicContact CG1-CG1 4.4Å; R343-V374 VanDerWaalsContact CD-CG2 3.44Å; L345-V374 HydrophobicContact CD1-CG2 3.62Å; F370-V374 PolarHBondContact O-N 2.91Å; L371-V374 CarbonylContact O-C 3.59Å; V374-S376 PolarHBondContact O-N 3.47Å; V374-S376 VanDerWaalsContact O-N 3.16Å; V374-L377 HydrophobicContact CB-CB 4.01Å; V374-L377 HydrophobicContact CG1-CB 3.69Å; V374-L377 HydrophobicContact CG1-CD1 4.31Å; V374-L377 VanDerWaalsContact O-CB 3.31Å; V374-L377 WeakPolarHBondContact O-CB 3.43Å; V374-L377 PolarHBondContact O-N 3.34Å | ||
| 375 | P | 86.1 | Confident | 86.9 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 66% | 0.662 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.5 | -179.9 | -25.9 | 35.5 | 0 | 0 | 0 | 113.3 | L371 L377 | L371-P375 VanDerWaalsContact O-CA 3.28Å; L371-P375 WeakPolarHBondContact O-CA 3.44Å; L371-P375 VanDerWaalsContact O-N 3.16Å; P375-L377 VanDerWaalsContact C-N 3.29Å; P375-L377 PolarHBondContact O-N 3.23Å |
| 376 | S | 88.2 | Confident | 85.5 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -6.5 | 178.6 | 66.2 | 0 | 0 | 0 | 0 | 114.4 | V374 A378 K379 I380 | V374-S376 PolarHBondContact O-N 3.47Å; V374-S376 VanDerWaalsContact O-N 3.16Å; S376-A378 VanDerWaalsContact C-N 3.33Å; S376-A378 PolarHBondContact O-N 2.78Å; S376-K379 PolarHBondContact O-N 3.39Å; S376-K379 VanDerWaalsContact O-N 3.15Å; S376-I380 WeakPolarHBondContact O-CG1 3.38Å; S376-I380 PolarHBondContact O-N 3.45Å |
| 377 | L | 89.1 | Confident | 84 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -38.3 | -172 | -165.8 | 63.8 | 0 | 0 | 0 | 112.4 | V336 V339 L340 F366 I367 F370 L371 V374 P375 I380 Y381 | V336-L377 HydrophobicContact CG1-CD1 4.19Å; V336-L377 HydrophobicContact CG1-CD2 4.39Å; V336-L377 HydrophobicContact CG1-CG 4.47Å; V336-L377 HydrophobicContact CG2-CD1 4.29Å; V339-L377 HydrophobicContact CB-CD1 4.2Å; V339-L377 HydrophobicContact CG1-CD1 3.83Å; L340-L377 HydrophobicContact CD2-CD2 3.89Å; L340-L377 HydrophobicContact CG-CD2 4.47Å; F366-L377 WeakPolarHBondContact O-CD2 3.33Å; I367-L377 HydrophobicContact CD1-CD2 4.23Å; I367-L377 HydrophobicContact CD1-CG 4.09Å; F370-L377 HydrophobicContact CB-CD2 3.79Å; L371-L377 HydrophobicContact CD2-CB 4.23Å; V374-L377 HydrophobicContact CB-CB 4.01Å; V374-L377 HydrophobicContact CG1-CB 3.69Å; V374-L377 HydrophobicContact CG1-CD1 4.31Å; V374-L377 VanDerWaalsContact O-CB 3.31Å; V374-L377 WeakPolarHBondContact O-CB 3.43Å; V374-L377 PolarHBondContact O-N 3.34Å; P375-L377 VanDerWaalsContact C-N 3.29Å; P375-L377 PolarHBondContact O-N 3.23Å; L377-I380 PolarHBondContact O-N 3.14Å; L377-Y381 WeakPolarHBondContact O-CB 3.38Å; L377-Y381 PolarHBondContact O-N 3.03Å |
| 378 | A | 83.3 | Confident | 82 | Confident | 23 Ų | 23 | 72.2 Ų | 72.2 | 19% | 0.19 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I367 L371 S376 I380 Y381 E382 | I367-A378 HydrophobicContact CG2-CB 4.46Å; L371-A378 HydrophobicContact CD2-CB 3.82Å; S376-A378 VanDerWaalsContact C-N 3.33Å; S376-A378 PolarHBondContact O-N 2.78Å; A378-I380 PolarHBondContact O-N 3.2Å; A378-Y381 PolarHBondContact O-N 3.39Å; A378-E382 WeakPolarHBondContact O-CB 3.37Å; A378-E382 WeakPolarHBondContact O-CG 3.48Å; A378-E382 PolarHBondContact O-N 2.61Å |
| 379 | K | 85.1 | Confident | 79.9 | Confident | 155 Ų | 155 | 72.1 Ų | 72.1 | 67% | 0.674 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.2 | -38.9 | 178 | -66.1 | -173.2 | 177.1 | -173.4 | 0 | 112.6 | S376 Y381 E382 A383 | S376-K379 PolarHBondContact O-N 3.39Å; S376-K379 VanDerWaalsContact O-N 3.15Å; K379-Y381 VanDerWaalsContact C-N 3.31Å; K379-E382 PolarHBondContact O-N 3.4Å; K379-A383 WeakPolarHBondContact O-CB 3.31Å; K379-A383 PolarHBondContact O-N 3.29Å |
| 380 | I | 81.5 | Confident | 77.8 | Confident | 52 Ų | 52 | 77 Ų | 77 | 27% | 0.267 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.2 | -67.6 | 166.1 | 0 | 0 | 0 | 109.6 | V339 S376 L377 A378 A384 | V339-I380 HydrophobicContact CG2-CD1 4.34Å; S376-I380 WeakPolarHBondContact O-CG1 3.38Å; S376-I380 PolarHBondContact O-N 3.45Å; L377-I380 PolarHBondContact O-N 3.14Å; A378-I380 PolarHBondContact O-N 3.2Å; I380-A384 WeakPolarHBondContact O-CB 3.49Å; I380-A384 PolarHBondContact O-N 3.22Å; I380-A384 VanDerWaalsContact O-N 3.12Å |
| 381 | Y | 86.2 | Confident | 75.4 | Confident | 14 Ų | 14 | 85.9 Ų | 85.9 | 6% | 0.055 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 179 | -175 | -113.5 | 0 | 0 | 0 | 112.5 | P332 R333 V336 E359 F362 V363 I367 L377 A378 K379 A384 V385 | P332-Y381 HydrophobicContact CB-CD2 3.71Å; P332-Y381 HydrophobicContact CB-CE2 3.52Å; R333-Y381 HydrophobicContact CG-CE2 4.2Å; V336-Y381 HydrophobicContact CG2-CD2 3.74Å; V336-Y381 HydrophobicContact CG2-CG 4.25Å; E359-Y381 WeakPolarHBondContact OE1-CE1 3.35Å; E359-Y381 VanDerWaalsContact OE1-CZ 3.24Å; E359-Y381 PolarHBondContact OE1-OH 3.48Å; E359-Y381 PolarHBondContact OE2-OH 3.03Å; F362-Y381 HydrophobicContact CD1-CE1 4.35Å; F362-Y381 AromaticContact CD1-CE2 3.93Å; F362-Y381 HydrophobicContact CD1-CE2 3.93Å; F362-Y381 AromaticContact CD1-CZ 3.74Å; F362-Y381 AromaticContact CE1-CD2 3.69Å; F362-Y381 HydrophobicContact CE1-CD2 3.69Å; F362-Y381 HydrophobicContact CE1-CE1 4.18Å; F362-Y381 AromaticContact CE1-CE2 3.25Å; F362-Y381 HydrophobicContact CE1-CE2 3.25Å; F362-Y381 HydrophobicContact CE1-CG 4.3Å; F362-Y381 AromaticContact CE1-CZ 3.53Å; F362-Y381 HydrophobicContact CZ-CD2 4.31Å; F362-Y381 HydrophobicContact CZ-CE2 4.01Å; V363-Y381 HydrophobicContact CG2-CE1 4.43Å; I367-Y381 HydrophobicContact CD1-CD1 4.49Å; I367-Y381 HydrophobicContact CD1-CD2 4.47Å; I367-Y381 HydrophobicContact CD1-CG 4.07Å; L377-Y381 WeakPolarHBondContact O-CB 3.38Å; L377-Y381 PolarHBondContact O-N 3.03Å; A378-Y381 PolarHBondContact O-N 3.39Å; K379-Y381 VanDerWaalsContact C-N 3.31Å; Y381-A384 PolarHBondContact O-N 2.98Å; Y381-V385 HydrophobicContact CE1-CG2 4.4Å; Y381-V385 HydrophobicContact CE2-CG2 4.37Å; Y381-V385 WeakPolarHBondContact O-CG2 2.98Å; Y381-V385 PolarHBondContact O-N 3.15Å; Y381-V385 VanDerWaalsContact O-N 3.16Å |
| 382 | E | 84.1 | Confident | 74.6 | Confident | 85 Ų | 85 | 87.2 Ų | 87.2 | 40% | 0.397 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 177.3 | -74.1 | 168.7 | -175.1 | 0 | 0 | 111.7 | A378 K379 A384 V385 I386 | A378-E382 WeakPolarHBondContact O-CB 3.37Å; A378-E382 WeakPolarHBondContact O-CG 3.48Å; A378-E382 PolarHBondContact O-N 2.61Å; K379-E382 PolarHBondContact O-N 3.4Å; E382-A384 VanDerWaalsContact C-N 3.33Å; E382-A384 PolarHBondContact O-N 3.36Å; E382-V385 PolarHBondContact O-N 3.24Å; E382-V385 VanDerWaalsContact O-N 3.12Å; E382-I386 HydrophobicContact CB-CD1 4.5Å; E382-I386 WeakPolarHBondContact O-CB 3.22Å; E382-I386 VanDerWaalsContact O-CG1 3.23Å; E382-I386 WeakPolarHBondContact O-CG1 3.17Å; E382-I386 PolarHBondContact O-N 3.12Å |
| 383 | A | 78.8 | Confident | 73.8 | Confident | 52 Ų | 52 | 84.8 Ų | 84.8 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K379 V385 I386 E387 | K379-A383 WeakPolarHBondContact O-CB 3.31Å; K379-A383 PolarHBondContact O-N 3.29Å; A383-V385 PolarHBondContact O-N 3.19Å; A383-I386 PolarHBondContact O-N 3.07Å; A383-I386 VanDerWaalsContact O-N 3.13Å; A383-E387 PolarHBondContact O-N 3.45Å; A383-E387 VanDerWaalsContact O-N 3.08Å |
| 384 | A | 76.1 | Confident | 73 | Confident | 7 Ų | 7 | 81.3 Ų | 81.3 | 6% | 0.058 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.6 | -27.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P332 Q335 I380 Y381 E382 | P332-A384 HydrophobicContact CB-CB 3.72Å; P332-A384 HydrophobicContact CG-CB 3.8Å; Q335-A384 VanDerWaalsContact OE1-CB 3.24Å; I380-A384 WeakPolarHBondContact O-CB 3.49Å; I380-A384 PolarHBondContact O-N 3.22Å; I380-A384 VanDerWaalsContact O-N 3.12Å; Y381-A384 PolarHBondContact O-N 2.98Å; E382-A384 VanDerWaalsContact C-N 3.33Å; E382-A384 PolarHBondContact O-N 3.36Å |
| 385 | V | 75.8 | Confident | 72.1 | Confident | 51 Ų | 51 | 86.1 Ų | 86.1 | 31% | 0.309 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -81.6 | -32.4 | 174.5 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | P332 Y381 E382 A383 K388 | P332-V385 HydrophobicContact CB-CG2 4.01Å; P332-V385 HydrophobicContact CG-CG2 3.85Å; Y381-V385 HydrophobicContact CE1-CG2 4.4Å; Y381-V385 HydrophobicContact CE2-CG2 4.37Å; Y381-V385 WeakPolarHBondContact O-CG2 2.98Å; Y381-V385 PolarHBondContact O-N 3.15Å; Y381-V385 VanDerWaalsContact O-N 3.16Å; E382-V385 PolarHBondContact O-N 3.24Å; E382-V385 VanDerWaalsContact O-N 3.12Å; A383-V385 PolarHBondContact O-N 3.19Å; V385-K388 WeakPolarHBondContact O-CB 3.36Å |
| 386 | I | 63.7 | Low | 71.2 | Confident | 90 Ų | 90 | 85.1 Ų | 85.1 | 46% | 0.462 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -80 | -26.4 | -175.9 | -68.2 | 165.3 | 0 | 0 | 0 | 113.2 | E382 A383 K388 E389 | E382-I386 HydrophobicContact CB-CD1 4.5Å; E382-I386 WeakPolarHBondContact O-CB 3.22Å; E382-I386 VanDerWaalsContact O-CG1 3.23Å; E382-I386 WeakPolarHBondContact O-CG1 3.17Å; E382-I386 PolarHBondContact O-N 3.12Å; A383-I386 PolarHBondContact O-N 3.07Å; A383-I386 VanDerWaalsContact O-N 3.13Å; I386-K388 PolarHBondContact O-N 2.66Å; I386-E389 PolarHBondContact O-N 3.47Å |
| 387 | E | 59.3 | Low | 70.1 | Confident | 123 Ų | 123 | 87.4 Ų | 87.4 | 58% | 0.575 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -16.1 | 172.7 | -78.1 | -179 | 174.2 | 0 | 0 | 113.1 | A383 | A383-E387 PolarHBondContact O-N 3.45Å; A383-E387 VanDerWaalsContact O-N 3.08Å |
| 388 | K | 49.2 | Very low | 68.7 | Low | 98 Ų | 98 | 93.6 Ų | 93.6 | 43% | 0.426 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.2 | 172.3 | -172.3 | 177.7 | 171 | -179.3 | 0 | 115.9 | D325 V385 I386 | D325-K388 IonicContact OD2-NZ 3.93Å; D325-K388 PolarHBondContact OD2-NZ 3.06Å; V385-K388 WeakPolarHBondContact O-CB 3.36Å; I386-K388 PolarHBondContact O-N 2.66Å |
| 389 | E | 48.2 | Very low | 67.6 | Low | 167 Ų | 167 | 99.1 Ų | 99.1 | 78% | 0.78 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -13.9 | -177.7 | -69.4 | -171.1 | 166.7 | 0 | 0 | 112.9 | I386 | I386-E389 PolarHBondContact O-N 3.47Š|
| 390 | E | 49.5 | Very low | 66.1 | Low | 177 Ų | 177 | 94.4 Ų | 94.4 | 83% | 0.827 | 47% | 0.467 | S | S | * | . | trans | -108.7 | -3.2 | -175.3 | -64 | -175.5 | 164.3 | 0 | 0 | 114.4 | ||||
| 391 | Q | 40.7 | Very low | 64.7 | Low | 217 Ų | 217 | 98.3 Ų | 98.3 | 100% | 1.014 | 49% | 0.485 | S | S | * | . | trans | -117.6 | 0 | 175 | -65.4 | -176.5 | 6.9 | 0 | 0 | 111.3 |
Retrieved 391 of 391 residues in 155.8 ms
(Link to these results)