| 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 | 41.1 | Very low | 44.2 | Very low | 249 Ų | 249 | 160.1 Ų | 160.1 | 100% | 1.227 | 84% | 0.843 | S | S | * | * | 0 | 93.2 | 0 | -90.3 | 171.1 | 172.3 | 0 | 0 | 106.6 | |||||
| 2 | E | 38.4 | Very low | 43.3 | Very low | 194 Ų | 194 | 156.5 Ų | 156.5 | 91% | 0.907 | 84% | 0.841 | S | S | * | * | trans | -128.8 | 132.9 | 167.6 | -76.1 | -144.7 | 104.9 | 0 | 0 | 106.4 | ||||
| 3 | Q | 47 | Very low | 42.9 | Very low | 182 Ų | 182 | 158.8 Ų | 158.8 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | trans | -126 | 129.2 | 168 | -81.2 | -81.8 | 1 | 0 | 0 | 106.1 | ||||
| 4 | P | 50.8 | Low | 42.7 | Very low | 121 Ų | 121 | 156.7 Ų | 156.7 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 154.9 | -176.2 | 1 | 18.7 | 0 | 0 | 0 | 112.7 | ||
| 5 | W | 38.8 | Very low | 41.9 | Very low | 245 Ų | 245 | 161.9 Ų | 161.9 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -70 | 153 | 172.7 | -80.5 | 79.4 | 0 | 0 | 0 | 113.2 | ||
| 6 | P | 55.3 | Low | 41.5 | Very low | 107 Ų | 107 | 159.9 Ų | 159.9 | 70% | 0.695 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 158.6 | 174.1 | 35 | -32.5 | 0 | 0 | 0 | 113 | ||
| 7 | P | 52 | Low | 40.8 | Very low | 119 Ų | 119 | 155.5 Ų | 155.5 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 163.2 | -178.7 | 35.1 | -33.9 | 0 | 0 | 0 | 113.8 | ||
| 8 | P | 46 | Very low | 40.3 | Very low | 130 Ų | 130 | 150.3 Ų | 150.3 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 144.1 | -176.6 | 34.6 | -32 | 0 | 0 | 0 | 112.6 | ||
| 9 | G | 44.1 | Very low | 39.8 | Very low | 53 Ų | 53 | 152.6 Ų | 152.6 | 55% | 0.546 | 84% | 0.835 | S | S | . | * | P | Polyproline II helix | trans | -83.6 | 164.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 10 | P | 39.7 | Very low | 39.4 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 84% | 0.844 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 135.7 | -173 | 31.8 | -31.8 | 0 | 0 | 0 | 113 | ||
| 11 | W | 33.3 | Very low | 39 | Very low | 231 Ų | 231 | 150.3 Ų | 150.3 | 88% | 0.875 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 125.4 | 175.4 | -69.2 | 50.5 | 0 | 0 | 0 | 109.5 | ||
| 12 | S | 33.3 | Very low | 38.5 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -104.5 | 118.4 | 171.5 | -60.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 13 | F | 38.2 | Very low | 38 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 151.8 | 166.6 | -81.1 | -86.2 | 0 | 0 | 0 | 110.4 | ||
| 14 | P | 39.6 | Very low | 37.2 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 146.9 | 149.6 | 0.8 | 19.6 | 0 | 0 | 0 | 112 | ||
| 15 | R | 31.7 | Very low | 36.3 | Very low | 234 Ų | 234 | 140.2 Ų | 140.2 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 138.2 | -171 | 172 | -174.4 | -87.1 | -122 | 0.4 | 111.6 | ||
| 16 | T | 34.2 | Very low | 35.8 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -16.7 | 154.3 | 158.4 | 54.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 17 | G | 31 | Very low | 34.6 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | 137.8 | 134.6 | 141.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 18 | G | 30.1 | Very low | 33.8 | Very low | 62 Ų | 62 | 137.2 Ų | 137.2 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | cis | -171.8 | 149 | 7.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 19 | E | 32.6 | Very low | 33.3 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | 95.9 | 110.5 | 115.5 | -69.3 | 179.5 | 135.7 | 0 | 0 | 112.6 | |||||
| 20 | A | 30.5 | Very low | 34.3 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | 95.1 | 144.4 | 90.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 21 | E | 30.4 | Very low | 33.8 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | cis | -155.6 | 147.1 | 18.4 | -63.9 | 176.4 | 128.2 | 0 | 0 | 106.2 | ||||
| 22 | E | 31.9 | Very low | 33.8 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | 102.1 | 136 | 101.6 | -100.8 | -170.1 | 140.4 | 0 | 0 | 114.6 | |||||
| 23 | E | 26.9 | Very low | 34 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 45.5 | 146.2 | 140.8 | -74.8 | -160.9 | 129.7 | 0 | 0 | 121.3 | ||||
| 24 | S | 31.4 | Very low | 33.8 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | cis | 179.2 | 155.6 | -8.1 | 50.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 25 | D | 32.2 | Very low | 33.5 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 56.8 | 121.4 | 147 | -115.5 | -36.1 | 0 | 0 | 0 | 121.6 | ||||
| 26 | V | 28.2 | Very low | 34.2 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -157.2 | 121.6 | 130.4 | -116.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 27 | D | 28.6 | Very low | 34.9 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -75.6 | 164.1 | 165.8 | -151.8 | -34 | 0 | 0 | 0 | 111.8 | ||||
| 28 | V | 35.8 | Very low | 36 | Very low | 116 Ų | 116 | 131 Ų | 131 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | -71.6 | 143 | -161.1 | 173.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 29 | S | 35.5 | Very low | 36.8 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | 172.2 | 158.1 | 119.4 | -83.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 30 | P | 64.6 | Low | 37.6 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -114.8 | 175 | -160.8 | 39.9 | -26.4 | 0 | 0 | 0 | 113.7 | ||||
| 31 | S | 30.1 | Very low | 38.6 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 163.2 | 130.8 | 136.5 | -77 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 32 | S | 33.8 | Very low | 39.5 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | 68.7 | 111.2 | 130 | -129.8 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 33 | S | 37.6 | Very low | 40.6 | Very low | 92 Ų | 92 | 119.8 Ų | 119.8 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | 51.5 | 118.1 | 123.9 | 65.3 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 34 | H | 34.1 | Very low | 41.9 | Very low | 192 Ų | 192 | 120 Ų | 120 | 89% | 0.889 | 76% | 0.761 | S | S | * | * | -173.3 | 135.2 | 128.2 | -104.5 | -75.2 | 0 | 0 | 0 | 111.5 | |||||
| 35 | F | 31.9 | Very low | 43.1 | Very low | 202 Ų | 202 | 123 Ų | 123 | 89% | 0.886 | 77% | 0.768 | S | S | * | * | trans | -110.4 | 168.3 | 170.1 | -78.7 | -85.8 | 0 | 0 | 0 | 109.4 | ||||
| 36 | P | 47.1 | Very low | 44.3 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | cis | -135.6 | -159.6 | -12.5 | 40.9 | -20.8 | 0 | 0 | 0 | 113 | ||||
| 37 | P | 48.7 | Very low | 45.8 | Very low | 121 Ų | 121 | 121 Ų | 121 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | cis | -111.3 | 165.1 | -33.9 | 36.3 | -21.6 | 0 | 0 | 0 | 113.3 | ||||
| 38 | V | 54.2 | Low | 47.5 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | -109.3 | 142.5 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | G40 | V38-G40 PolarHBondContact O-N 3.42Š| ||
| 39 | P | 46.5 | Very low | 49.3 | Very low | 129 Ų | 129 | 115.4 Ų | 115.4 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -82.6 | 108.6 | 156.7 | 30.2 | -23 | 0 | 0 | 0 | 109.7 | ||||
| 40 | G | 50.2 | Low | 51.2 | Low | 80 Ų | 80 | 114 Ų | 114 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 43.4 | 100.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | V38 | V38-G40 PolarHBondContact O-N 3.42Š|
| 41 | G | 51.1 | Low | 51.7 | Low | 77 Ų | 77 | 115 Ų | 115 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | trans | 166.4 | 5.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 42 | G | 49.5 | Very low | 54.2 | Low | 50 Ų | 50 | 114.5 Ų | 114.5 | 52% | 0.515 | 69% | 0.687 | S | S | . | * | trans | -105.3 | -6.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 43 | A | 54.1 | Low | 56.4 | Low | 88 Ų | 88 | 112.3 Ų | 112.3 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -75.5 | -32.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S47 | A43-S47 PolarHBondContact O-N 3.39Å |
| 44 | Q | 54.9 | Low | 58.4 | Low | 165 Ų | 165 | 112 Ų | 112 | 77% | 0.771 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.4 | -41.4 | 179.9 | -92.1 | 163.1 | -25 | 0 | 0 | 112.7 | Y46 S47 D48 | Q44-Y46 VanDerWaalsContact C-N 3.34Å; Q44-Y46 PolarHBondContact O-N 3.41Å; Q44-S47 PolarHBondContact O-N 2.74Å; Q44-D48 PolarHBondContact O-N 2.9Å; Q44-D48 VanDerWaalsContact O-N 3.14Å |
| 45 | M | 56.4 | Low | 60.7 | Low | 151 Ų | 151 | 107.4 Ų | 107.4 | 74% | 0.744 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.1 | -34.9 | 179.1 | -74.3 | -65.5 | -49.1 | 0 | 0 | 113.6 | G49 | M45-G49 PolarHBondContact O-N 3.26Å |
| 46 | Y | 58.3 | Low | 63.3 | Low | 177 Ų | 177 | 104.7 Ų | 104.7 | 69% | 0.694 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.7 | -36.8 | 179.1 | -175.4 | -101.8 | 0 | 0 | 0 | 112.4 | Q44 I50 | Q44-Y46 VanDerWaalsContact C-N 3.34Å; Q44-Y46 PolarHBondContact O-N 3.41Å; Y46-I50 HydrophobicContact CD1-CD1 3.72Å; Y46-I50 HydrophobicContact CE1-CD1 3.25Å; Y46-I50 HydrophobicContact CE2-CD1 4.16Å; Y46-I50 HydrophobicContact CG-CD1 4.36Å; Y46-I50 WeakPolarHBondContact O-CG1 3.27Å; Y46-I50 PolarHBondContact O-N 3.29Å |
| 47 | S | 59.6 | Low | 65.2 | Low | 69 Ų | 69 | 104.8 Ų | 104.8 | 48% | 0.483 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.5 | -47.7 | 176.7 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | A43 Q44 G49 I50 E51 | A43-S47 PolarHBondContact O-N 3.39Å; Q44-S47 PolarHBondContact O-N 2.74Å; S47-G49 VanDerWaalsContact C-N 3.32Å; S47-G49 PolarHBondContact O-N 2.67Å; S47-I50 PolarHBondContact O-N 3.45Å; S47-E51 PolarHBondContact O-N 2.82Å |
| 48 | D | 64.3 | Low | 67 | Low | 100 Ų | 100 | 105.4 Ų | 105.4 | 54% | 0.535 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65 | -35.5 | -179.8 | -72.7 | -1.1 | 0 | 0 | 0 | 112.2 | Q44 L52 | Q44-D48 PolarHBondContact O-N 2.9Å; Q44-D48 VanDerWaalsContact O-N 3.14Å; D48-L52 WeakPolarHBondContact O-CB 3.42Å; D48-L52 PolarHBondContact O-N 2.83Å |
| 49 | G | 72.3 | Confident | 68.7 | Low | 43 Ų | 43 | 103.4 Ų | 103.4 | 44% | 0.443 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.5 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M45 S47 A53 | M45-G49 PolarHBondContact O-N 3.26Å; S47-G49 VanDerWaalsContact C-N 3.32Å; S47-G49 PolarHBondContact O-N 2.67Å; G49-A53 WeakPolarHBondContact O-CB 3.47Å; G49-A53 PolarHBondContact O-N 2.97Å; G49-A53 VanDerWaalsContact O-N 3.1Å |
| 50 | I | 76.9 | Confident | 70.6 | Confident | 83 Ų | 83 | 104 Ų | 104 | 43% | 0.426 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69 | -41 | 176.4 | -70.7 | 171.3 | 0 | 0 | 0 | 110.8 | Y46 S47 L52 A53 C54 | Y46-I50 HydrophobicContact CD1-CD1 3.72Å; Y46-I50 HydrophobicContact CE1-CD1 3.25Å; Y46-I50 HydrophobicContact CE2-CD1 4.16Å; Y46-I50 HydrophobicContact CG-CD1 4.36Å; Y46-I50 WeakPolarHBondContact O-CG1 3.27Å; Y46-I50 PolarHBondContact O-N 3.29Å; S47-I50 PolarHBondContact O-N 3.45Å; I50-L52 VanDerWaalsContact C-N 3.35Å; I50-L52 PolarHBondContact O-N 3.3Å; I50-A53 PolarHBondContact O-N 3.08Å; I50-C54 WeakPolarHBondContact O-CB 3.39Å; I50-C54 PolarHBondContact O-N 2.7Å |
| 51 | E | 75.1 | Confident | 72.5 | Confident | 131 Ų | 131 | 103.7 Ų | 103.7 | 61% | 0.612 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.3 | -42.3 | 178.4 | -168.4 | 166.9 | -160.6 | 0 | 0 | 111.3 | S47 A53 C54 Q55 | S47-E51 PolarHBondContact O-N 2.82Å; E51-A53 PolarHBondContact O-N 3.28Å; E51-C54 PolarHBondContact O-N 3.31Å; E51-Q55 WeakPolarHBondContact O-CB 3.49Å; E51-Q55 PolarHBondContact O-N 3.46Å |
| 52 | L | 82.3 | Confident | 74.5 | Confident | 106 Ų | 106 | 106.4 Ų | 106.4 | 56% | 0.555 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.5 | -39.6 | 175.4 | -172.2 | 64.9 | 0 | 0 | 0 | 112.6 | D48 I50 Q55 K56 | D48-L52 WeakPolarHBondContact O-CB 3.42Å; D48-L52 PolarHBondContact O-N 2.83Å; I50-L52 VanDerWaalsContact C-N 3.35Å; I50-L52 PolarHBondContact O-N 3.3Å; L52-Q55 PolarHBondContact O-N 3.4Å; L52-K56 WeakPolarHBondContact O-CB 3.37Å; L52-K56 WeakPolarHBondContact O-CG 3.1Å; L52-K56 PolarHBondContact O-N 2.84Å |
| 53 | A | 78.9 | Confident | 76.2 | Confident | 61 Ų | 61 | 107.8 Ų | 107.8 | 50% | 0.504 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.6 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G49 I50 E51 Q55 K56 Q57 | G49-A53 WeakPolarHBondContact O-CB 3.47Å; G49-A53 PolarHBondContact O-N 2.97Å; G49-A53 VanDerWaalsContact O-N 3.1Å; I50-A53 PolarHBondContact O-N 3.08Å; E51-A53 PolarHBondContact O-N 3.28Å; A53-Q55 PolarHBondContact O-N 2.67Å; A53-K56 PolarHBondContact O-N 3.33Å; A53-Q57 WeakPolarHBondContact O-CB 3.42Å; A53-Q57 PolarHBondContact O-N 2.95Å |
| 54 | C | 80.8 | Confident | 77.9 | Confident | 86 Ų | 86 | 105.6 Ų | 105.6 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.8 | -43.6 | 173.7 | -102.4 | 0 | 0 | 0 | 0 | 112 | I50 E51 Q57 K58 | I50-C54 WeakPolarHBondContact O-CB 3.39Å; I50-C54 PolarHBondContact O-N 2.7Å; E51-C54 PolarHBondContact O-N 3.31Å; C54-Q57 PolarHBondContact O-N 3.39Å; C54-K58 WeakPolarHBondContact O-CB 3.39Å; C54-K58 PolarHBondContact O-N 2.99Å |
| 55 | Q | 82 | Confident | 79.7 | Confident | 95 Ų | 95 | 102.1 Ų | 102.1 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 178.3 | -169 | 70.1 | 13.4 | 0 | 0 | 111.4 | E51 L52 A53 K58 E59 | E51-Q55 WeakPolarHBondContact O-CB 3.49Å; E51-Q55 PolarHBondContact O-N 3.46Å; L52-Q55 PolarHBondContact O-N 3.4Å; A53-Q55 PolarHBondContact O-N 2.67Å; Q55-K58 PolarHBondContact O-N 2.9Å; Q55-E59 PolarHBondContact O-N 3.36Å |
| 56 | K | 86.8 | Confident | 81.3 | Confident | 145 Ų | 145 | 97.1 Ų | 97.1 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.3 | -44.1 | 175.6 | -80.5 | -174.7 | 175.3 | -175.6 | 0 | 112.1 | L52 A53 K58 E59 F60 | L52-K56 WeakPolarHBondContact O-CB 3.37Å; L52-K56 WeakPolarHBondContact O-CG 3.1Å; L52-K56 PolarHBondContact O-N 2.84Å; A53-K56 PolarHBondContact O-N 3.33Å; K56-K58 VanDerWaalsContact C-N 3.34Å; K56-K58 PolarHBondContact O-N 3.25Å; K56-E59 PolarHBondContact O-N 3.33Å; K56-F60 WeakPolarHBondContact O-CB 3.41Å; K56-F60 PolarHBondContact O-N 3.04Å |
| 57 | Q | 86.6 | Confident | 82.7 | Confident | 117 Ų | 117 | 92.8 Ų | 92.8 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 178 | -170.5 | 62.8 | 30 | 0 | 0 | 111.6 | A53 C54 F60 V61 | A53-Q57 WeakPolarHBondContact O-CB 3.42Å; A53-Q57 PolarHBondContact O-N 2.95Å; C54-Q57 PolarHBondContact O-N 3.39Å; Q57-F60 PolarHBondContact O-N 3.26Å; Q57-V61 VanDerWaalsContact O-CG2 3.31Å; Q57-V61 WeakPolarHBondContact O-CG2 3.49Å; Q57-V61 PolarHBondContact O-N 2.98Å |
| 58 | K | 86.9 | Confident | 84.2 | Confident | 134 Ų | 134 | 96.4 Ų | 96.4 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -45.8 | 176.3 | -178.4 | -179.1 | 176.4 | -177.9 | 0 | 111.9 | C54 Q55 K56 K62 | C54-K58 WeakPolarHBondContact O-CB 3.39Å; C54-K58 PolarHBondContact O-N 2.99Å; Q55-K58 PolarHBondContact O-N 2.9Å; K56-K58 VanDerWaalsContact C-N 3.34Å; K56-K58 PolarHBondContact O-N 3.25Å; K58-K62 VanDerWaalsContact O-CB 3.3Å; K58-K62 WeakPolarHBondContact O-CB 3.18Å; K58-K62 PolarHBondContact O-N 3.47Å |
| 59 | E | 88.7 | Confident | 85.6 | Confident | 85 Ų | 85 | 100.2 Ų | 100.2 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 177.2 | -69.1 | -58.3 | 148.6 | 0 | 0 | 111.9 | Q55 K56 K62 S63 | Q55-E59 PolarHBondContact O-N 3.36Å; K56-E59 PolarHBondContact O-N 3.33Å; E59-K62 PolarHBondContact O-N 3.3Å; E59-K62 IonicContact OE2-NZ 3.91Å; E59-S63 WeakPolarHBondContact O-CB 3.37Å; E59-S63 PolarHBondContact O-N 3.07Å |
| 60 | F | 87.1 | Confident | 86.4 | Confident | 141 Ų | 141 | 102.6 Ų | 102.6 | 62% | 0.618 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.4 | -46.2 | 175.7 | -172.1 | -95.6 | 0 | 0 | 0 | 112.1 | K56 Q57 K62 S63 S64 | K56-F60 WeakPolarHBondContact O-CB 3.41Å; K56-F60 PolarHBondContact O-N 3.04Å; Q57-F60 PolarHBondContact O-N 3.26Å; F60-K62 VanDerWaalsContact C-N 3.34Å; F60-K62 PolarHBondContact O-N 3.28Å; F60-S63 PolarHBondContact O-N 3.18Å; F60-S64 WeakPolarHBondContact O-CB 3.37Å; F60-S64 PolarHBondContact O-N 3.15Å |
| 61 | V | 90.8 | Very high | 87.1 | Confident | 74 Ų | 74 | 103.4 Ų | 103.4 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | Q57 S63 S64 V65 | Q57-V61 VanDerWaalsContact O-CG2 3.31Å; Q57-V61 WeakPolarHBondContact O-CG2 3.49Å; Q57-V61 PolarHBondContact O-N 2.98Å; V61-S63 PolarHBondContact O-N 3.12Å; V61-S64 PolarHBondContact O-N 3.39Å; V61-V65 HydrophobicContact CG1-CG2 4.3Å; V61-V65 WeakPolarHBondContact O-CB 3.44Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.02Å; V61-V65 PolarHBondContact O-N 2.76Å |
| 62 | K | 91.8 | Very high | 87.8 | Confident | 133 Ų | 133 | 99.6 Ų | 99.6 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.9 | -45.3 | 177.1 | -175.1 | -177.5 | 172.1 | -165.9 | 0 | 111.7 | K58 E59 F60 A66 | K58-K62 VanDerWaalsContact O-CB 3.3Å; K58-K62 WeakPolarHBondContact O-CB 3.18Å; K58-K62 PolarHBondContact O-N 3.47Å; E59-K62 PolarHBondContact O-N 3.3Å; E59-K62 IonicContact OE2-NZ 3.91Å; F60-K62 VanDerWaalsContact C-N 3.34Å; F60-K62 PolarHBondContact O-N 3.28Å; K62-A66 WeakPolarHBondContact O-CB 3.41Å; K62-A66 PolarHBondContact O-N 2.97Å |
| 63 | S | 85 | Confident | 88.3 | Confident | 79 Ų | 79 | 98 Ų | 98 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -43.8 | 177.5 | -169.2 | 0 | 0 | 0 | 0 | 112 | E59 F60 V61 A66 C67 | E59-S63 WeakPolarHBondContact O-CB 3.37Å; E59-S63 PolarHBondContact O-N 3.07Å; F60-S63 PolarHBondContact O-N 3.18Å; V61-S63 PolarHBondContact O-N 3.12Å; S63-A66 PolarHBondContact O-N 3.18Å; S63-C67 WeakPolarHBondContact O-CB 3.44Å; S63-C67 PolarHBondContact O-N 3.29Å |
| 64 | S | 90.4 | Very high | 88.8 | Confident | 42 Ų | 42 | 97.4 Ų | 97.4 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 178 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | F60 V61 C67 K68 | F60-S64 WeakPolarHBondContact O-CB 3.37Å; F60-S64 PolarHBondContact O-N 3.15Å; V61-S64 PolarHBondContact O-N 3.39Å; S64-C67 PolarHBondContact O-N 3.46Å; S64-K68 WeakPolarHBondContact O-CG 3.43Å; S64-K68 PolarHBondContact O-N 2.84Å |
| 65 | V | 93.5 | Very high | 89.2 | Confident | 92 Ų | 92 | 99 Ų | 99 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | V61 C67 K68 W69 | V61-V65 HydrophobicContact CG1-CG2 4.3Å; V61-V65 WeakPolarHBondContact O-CB 3.44Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.02Å; V61-V65 PolarHBondContact O-N 2.76Å; V65-C67 VanDerWaalsContact C-N 3.34Å; V65-C67 PolarHBondContact O-N 3.39Å; V65-K68 PolarHBondContact O-N 2.98Å; V65-W69 WeakPolarHBondContact O-CB 3.29Å; V65-W69 PolarHBondContact O-N 3.2Å |
| 66 | A | 89.5 | Confident | 89.5 | Confident | 46 Ų | 46 | 101.1 Ų | 101.1 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K62 S63 W69 N70 | K62-A66 WeakPolarHBondContact O-CB 3.41Å; K62-A66 PolarHBondContact O-N 2.97Å; S63-A66 PolarHBondContact O-N 3.18Å; A66-W69 PolarHBondContact O-N 2.96Å; A66-N70 WeakPolarHBondContact O-CB 3.27Å; A66-N70 PolarHBondContact O-N 3.17Å; A66-N70 PolarHBondContact O-ND2 3Å |
| 67 | C | 88 | Confident | 89.5 | Confident | 86 Ų | 86 | 99.5 Ų | 99.5 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -47 | 177 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | S63 S64 V65 W69 N70 L71 | S63-C67 WeakPolarHBondContact O-CB 3.44Å; S63-C67 PolarHBondContact O-N 3.29Å; S64-C67 PolarHBondContact O-N 3.46Å; V65-C67 VanDerWaalsContact C-N 3.34Å; V65-C67 PolarHBondContact O-N 3.39Å; C67-W69 PolarHBondContact O-N 2.96Å; C67-N70 PolarHBondContact O-N 3.22Å; C67-L71 WeakPolarHBondContact O-CB 3.29Å; C67-L71 PolarHBondContact O-N 3.16Å |
| 68 | K | 91.3 | Very high | 89 | Confident | 146 Ų | 146 | 99.6 Ų | 99.6 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 177.2 | -72.5 | 177.2 | -178.7 | 178.9 | 0 | 112.4 | S64 V65 L71 A72 | S64-K68 WeakPolarHBondContact O-CG 3.43Å; S64-K68 PolarHBondContact O-N 2.84Å; V65-K68 PolarHBondContact O-N 2.98Å; K68-L71 PolarHBondContact O-N 3.43Å; K68-A72 WeakPolarHBondContact O-CB 3.23Å; K68-A72 PolarHBondContact O-N 3.11Å |
| 69 | W | 92.6 | Very high | 88.4 | Confident | 179 Ų | 179 | 95 Ų | 95 | 68% | 0.678 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -49.6 | 175.4 | 178.9 | -93.6 | 0 | 0 | 0 | 111.5 | V65 A66 C67 L71 A72 E73 | V65-W69 WeakPolarHBondContact O-CB 3.29Å; V65-W69 PolarHBondContact O-N 3.2Å; A66-W69 PolarHBondContact O-N 2.96Å; C67-W69 PolarHBondContact O-N 2.96Å; W69-L71 VanDerWaalsContact C-N 3.29Å; W69-L71 PolarHBondContact O-N 3.36Å; W69-A72 PolarHBondContact O-N 3.3Å; W69-E73 WeakPolarHBondContact O-CB 3.46Å; W69-E73 PolarHBondContact O-N 2.64Å |
| 70 | N | 89.8 | Confident | 87.8 | Confident | 93 Ų | 93 | 93.7 Ų | 93.7 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 179.6 | -69.2 | -14.9 | 0 | 0 | 0 | 112 | A66 C67 E73 A74 | A66-N70 WeakPolarHBondContact O-CB 3.27Å; A66-N70 PolarHBondContact O-N 3.17Å; A66-N70 PolarHBondContact O-ND2 3Å; C67-N70 PolarHBondContact O-N 3.22Å; N70-E73 PolarHBondContact O-N 3.04Å; N70-A74 WeakPolarHBondContact O-CB 3.35Å; N70-A74 PolarHBondContact O-N 3.18Å |
| 71 | L | 90.3 | Very high | 87 | Confident | 101 Ų | 101 | 92.5 Ų | 92.5 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 174.9 | -179.3 | 64 | 0 | 0 | 0 | 111.7 | C67 K68 W69 E73 A74 Q75 | C67-L71 WeakPolarHBondContact O-CB 3.29Å; C67-L71 PolarHBondContact O-N 3.16Å; K68-L71 PolarHBondContact O-N 3.43Å; W69-L71 VanDerWaalsContact C-N 3.29Å; W69-L71 PolarHBondContact O-N 3.36Å; L71-E73 VanDerWaalsContact C-N 3.31Å; L71-E73 PolarHBondContact O-N 3.37Å; L71-A74 PolarHBondContact O-N 2.95Å; L71-Q75 WeakPolarHBondContact O-CG 3.38Å; L71-Q75 PolarHBondContact O-N 3.09Å |
| 72 | A | 90.9 | Very high | 85.9 | Confident | 51 Ų | 51 | 92.3 Ų | 92.3 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K68 W69 Q75 Q76 | K68-A72 WeakPolarHBondContact O-CB 3.23Å; K68-A72 PolarHBondContact O-N 3.11Å; W69-A72 PolarHBondContact O-N 3.3Å; A72-Q75 PolarHBondContact O-N 3.31Å; A72-Q76 WeakPolarHBondContact O-CB 3.12Å; A72-Q76 PolarHBondContact O-N 2.99Å |
| 73 | E | 92.6 | Very high | 84.6 | Confident | 73 Ų | 73 | 92.6 Ų | 92.6 | 34% | 0.341 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.4 | -162.4 | -167.7 | 169.9 | 0 | 0 | 111.8 | W69 N70 L71 Q76 K77 | W69-E73 WeakPolarHBondContact O-CB 3.46Å; W69-E73 PolarHBondContact O-N 2.64Å; N70-E73 PolarHBondContact O-N 3.04Å; L71-E73 VanDerWaalsContact C-N 3.31Å; L71-E73 PolarHBondContact O-N 3.37Å; E73-Q76 PolarHBondContact O-N 3.16Å; E73-K77 VanDerWaalsContact CD-NZ 3.3Å; E73-K77 WeakPolarHBondContact O-CG 3.45Å; E73-K77 PolarHBondContact O-N 3.46Å; E73-K77 VanDerWaalsContact OE1-CE 3.29Å; E73-K77 WeakPolarHBondContact OE1-CE 3.46Å; E73-K77 IonicContact OE1-NZ 3.72Å; E73-K77 PolarHBondContact OE1-NZ 3.47Å; E73-K77 IonicContact OE2-NZ 3.26Å |
| 74 | A | 88.7 | Confident | 83.4 | Confident | 47 Ų | 47 | 96.4 Ų | 96.4 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N70 L71 K77 L78 | N70-A74 WeakPolarHBondContact O-CB 3.35Å; N70-A74 PolarHBondContact O-N 3.18Å; L71-A74 PolarHBondContact O-N 2.95Å; A74-K77 PolarHBondContact O-N 3.24Å; A74-L78 PolarHBondContact O-N 2.9Å |
| 75 | Q | 89.9 | Confident | 82 | Confident | 121 Ų | 121 | 101.3 Ų | 101.3 | 57% | 0.565 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 175.7 | -74.7 | 177 | -19.1 | 0 | 0 | 112 | L71 A72 L78 G79 | L71-Q75 WeakPolarHBondContact O-CG 3.38Å; L71-Q75 PolarHBondContact O-N 3.09Å; A72-Q75 PolarHBondContact O-N 3.31Å; Q75-L78 PolarHBondContact O-N 3Å; Q75-G79 PolarHBondContact O-N 3.46Å |
| 76 | Q | 88.8 | Confident | 80.3 | Confident | 138 Ų | 138 | 101.5 Ų | 101.5 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.6 | -45.8 | 174 | -176.7 | -176.1 | -4.9 | 0 | 0 | 111.1 | A72 E73 L78 G79 S80 | A72-Q76 WeakPolarHBondContact O-CB 3.12Å; A72-Q76 PolarHBondContact O-N 2.99Å; E73-Q76 PolarHBondContact O-N 3.16Å; Q76-L78 VanDerWaalsContact C-N 3.35Å; Q76-L78 PolarHBondContact O-N 3.45Å; Q76-G79 PolarHBondContact O-N 3.4Å; Q76-S80 PolarHBondContact O-N 3.47Å; Q76-S80 PolarHBondContact O-OG 2.9Å |
| 77 | K | 85.9 | Confident | 79.1 | Confident | 112 Ų | 112 | 103.8 Ų | 103.8 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.4 | -42.3 | 177.1 | -74.6 | 170.8 | -175.7 | 165.6 | 0 | 111.9 | E73 A74 S80 L81 | E73-K77 VanDerWaalsContact CD-NZ 3.3Å; E73-K77 WeakPolarHBondContact O-CG 3.45Å; E73-K77 PolarHBondContact O-N 3.46Å; E73-K77 VanDerWaalsContact OE1-CE 3.29Å; E73-K77 WeakPolarHBondContact OE1-CE 3.46Å; E73-K77 IonicContact OE1-NZ 3.72Å; E73-K77 PolarHBondContact OE1-NZ 3.47Å; E73-K77 IonicContact OE2-NZ 3.26Å; A74-K77 PolarHBondContact O-N 3.24Å; K77-S80 PolarHBondContact O-N 2.97Å; K77-L81 WeakPolarHBondContact O-CB 3.49Å; K77-L81 VanDerWaalsContact O-CG 3.3Å; K77-L81 WeakPolarHBondContact O-CG 3.43Å; K77-L81 PolarHBondContact O-N 3.45Å |
| 78 | L | 77.4 | Confident | 78.3 | Confident | 118 Ų | 118 | 102.7 Ų | 102.7 | 62% | 0.618 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.4 | -42.3 | 174.8 | -80.6 | 168.2 | 0 | 0 | 0 | 112.3 | A74 Q75 Q76 L81 A82 | A74-L78 PolarHBondContact O-N 2.9Å; Q75-L78 PolarHBondContact O-N 3Å; Q76-L78 VanDerWaalsContact C-N 3.35Å; Q76-L78 PolarHBondContact O-N 3.45Å; L78-L81 PolarHBondContact O-N 3.46Å; L78-A82 WeakPolarHBondContact O-CB 3.38Å; L78-A82 PolarHBondContact O-N 3.11Å |
| 79 | G | 74.6 | Confident | 77.4 | Confident | 37 Ų | 37 | 102.1 Ų | 102.1 | 38% | 0.381 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.7 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q75 Q76 A82 L83 | Q75-G79 PolarHBondContact O-N 3.46Å; Q76-G79 PolarHBondContact O-N 3.4Å; G79-A82 PolarHBondContact O-N 3.02Å; G79-L83 WeakPolarHBondContact O-CG 3.44Å; G79-L83 PolarHBondContact O-N 3.37Å |
| 80 | S | 74.2 | Confident | 76.7 | Confident | 59 Ų | 59 | 99.2 Ų | 99.2 | 41% | 0.413 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.2 | -41.2 | 175.4 | -64.2 | 0 | 0 | 0 | 0 | 112.6 | Q76 K77 L83 H84 | Q76-S80 PolarHBondContact O-N 3.47Å; Q76-S80 PolarHBondContact O-OG 2.9Å; K77-S80 PolarHBondContact O-N 2.97Å; S80-L83 PolarHBondContact O-N 2.85Å; S80-H84 PolarHBondContact O-CD2 3.34Å; S80-H84 PolarHBondContact O-N 3.24Å |
| 81 | L | 71.1 | Confident | 76.3 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 60% | 0.602 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.8 | -38.6 | 177 | -73.6 | 167.8 | 0 | 0 | 0 | 112.2 | K77 L78 L83 H84 N85 | K77-L81 WeakPolarHBondContact O-CB 3.49Å; K77-L81 VanDerWaalsContact O-CG 3.3Å; K77-L81 WeakPolarHBondContact O-CG 3.43Å; K77-L81 PolarHBondContact O-N 3.45Å; L78-L81 PolarHBondContact O-N 3.46Å; L81-L83 VanDerWaalsContact C-N 3.31Å; L81-L83 PolarHBondContact O-N 3.27Å; L81-H84 PolarHBondContact O-N 3.32Å; L81-N85 PolarHBondContact O-N 3.29Å; L81-N85 VanDerWaalsContact O-N 3.14Å |
| 82 | A | 67.8 | Low | 75.8 | Confident | 70 Ų | 70 | 99.8 Ų | 99.8 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.6 | -35.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L78 G79 | L78-A82 WeakPolarHBondContact O-CB 3.38Å; L78-A82 PolarHBondContact O-N 3.11Å; G79-A82 PolarHBondContact O-N 3.02Å |
| 83 | L | 65.2 | Low | 75.3 | Confident | 140 Ų | 140 | 102.9 Ų | 102.9 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.5 | -28.8 | 174.9 | -71.3 | 173.1 | 0 | 0 | 0 | 113.3 | G79 S80 L81 | G79-L83 WeakPolarHBondContact O-CG 3.44Å; G79-L83 PolarHBondContact O-N 3.37Å; S80-L83 PolarHBondContact O-N 2.85Å; L81-L83 VanDerWaalsContact C-N 3.31Å; L81-L83 PolarHBondContact O-N 3.27Å |
| 84 | H | 59.7 | Low | 75 | Confident | 159 Ų | 159 | 101.7 Ų | 101.7 | 74% | 0.736 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -85.5 | -14.4 | 179.1 | -89.2 | -76.8 | 0 | 0 | 0 | 114.1 | S80 L81 S86 | S80-H84 PolarHBondContact O-CD2 3.34Å; S80-H84 PolarHBondContact O-N 3.24Å; L81-H84 PolarHBondContact O-N 3.32Å; H84-S86 VanDerWaalsContact C-N 3.32Å; H84-S86 PolarHBondContact O-N 3.46Å |
| 85 | N | 60.8 | Low | 74.8 | Confident | 145 Ų | 145 | 104 Ų | 104 | 78% | 0.775 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -91.5 | 19.3 | -177.1 | -160.4 | 36.2 | 0 | 0 | 0 | 114.1 | L81 | L81-N85 PolarHBondContact O-N 3.29Å; L81-N85 VanDerWaalsContact O-N 3.14Å |
| 86 | S | 58.1 | Low | 74.7 | Confident | 96 Ų | 96 | 100.9 Ų | 100.9 | 67% | 0.671 | 55% | 0.553 | S | S | * | * | trans | -117.8 | 47.5 | 178.2 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | H84 | H84-S86 VanDerWaalsContact C-N 3.32Å; H84-S86 PolarHBondContact O-N 3.46Å | ||
| 87 | E | 64.5 | Low | 74.8 | Confident | 93 Ų | 93 | 100 Ų | 100 | 44% | 0.435 | 55% | 0.549 | S | S | . | . | trans | -73.4 | 127.4 | 155.8 | -67.4 | -153.2 | 167.2 | 0 | 0 | 107.7 | E92 K95 | E87-E92 HydrophobicContact CB-CG 4.11Å; E87-K95 IonicContact OE1-NZ 3.87Å; E87-K95 PolarHBondContact OE1-NZ 3.5Å; E87-K95 IonicContact OE2-NZ 2.67Å; E87-K95 PolarHBondContact OE2-NZ 2.98Å | ||
| 88 | S | 70.6 | Confident | 75.1 | Confident | 64 Ų | 64 | 98.3 Ų | 98.3 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | trans | -67 | 137.6 | 174.3 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | D90 Q91 E92 | S88-D90 PolarHBondContact O-N 3.42Å; S88-D90 VanDerWaalsContact O-N 3.08Å; S88-D90 PolarHBondContact OG-N 2.77Å; S88-Q91 WeakPolarHBondContact O-CA 3.43Å; S88-Q91 WeakPolarHBondContact O-CB 3.45Å; S88-Q91 PolarHBondContact O-N 2.78Å; S88-E92 PolarHBondContact O-N 3.13Å; S88-E92 VanDerWaalsContact O-N 3.17Å | ||
| 89 | L | 71.9 | Confident | 75.7 | Confident | 133 Ų | 133 | 94.8 Ų | 94.8 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -51.8 | -33.2 | 175.1 | -173.5 | 145 | 0 | 0 | 0 | 111.9 | H93 | L89-H93 VanDerWaalsContact O-CB 3.27Å; L89-H93 WeakPolarHBondContact O-CB 3.47Å; L89-H93 PolarHBondContact O-N 3.32Å |
| 90 | D | 77.4 | Confident | 76.4 | Confident | 119 Ų | 119 | 96.5 Ų | 96.5 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67 | -34.7 | 176.4 | -65.4 | -27.8 | 0 | 0 | 0 | 112.9 | S88 A94 | S88-D90 PolarHBondContact O-N 3.42Å; S88-D90 VanDerWaalsContact O-N 3.08Å; S88-D90 PolarHBondContact OG-N 2.77Å; D90-A94 WeakPolarHBondContact O-CB 3.3Å; D90-A94 PolarHBondContact O-N 3.08Å |
| 91 | Q | 81.9 | Confident | 77.2 | Confident | 100 Ų | 100 | 97 Ų | 97 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74 | -41.8 | 178.5 | -175.2 | 177.7 | -0.7 | 0 | 0 | 111.1 | S88 H93 A94 K95 | S88-Q91 WeakPolarHBondContact O-CA 3.43Å; S88-Q91 WeakPolarHBondContact O-CB 3.45Å; S88-Q91 PolarHBondContact O-N 2.78Å; Q91-H93 VanDerWaalsContact C-N 3.34Å; Q91-A94 PolarHBondContact O-N 3.18Å; Q91-K95 VanDerWaalsContact O-CG 3.3Å; Q91-K95 WeakPolarHBondContact O-CG 3.46Å; Q91-K95 PolarHBondContact O-N 3.43Å |
| 92 | E | 80.5 | Confident | 78.3 | Confident | 105 Ų | 105 | 96.6 Ų | 96.6 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 172.6 | -69 | -172.9 | 170.8 | 0 | 0 | 111.2 | E87 S88 A94 K95 A96 | E87-E92 HydrophobicContact CB-CG 4.11Å; S88-E92 PolarHBondContact O-N 3.13Å; S88-E92 VanDerWaalsContact O-N 3.17Å; E92-A94 PolarHBondContact O-N 3.33Å; E92-K95 PolarHBondContact O-N 3.39Å; E92-A96 WeakPolarHBondContact O-CB 3.22Å; E92-A96 PolarHBondContact O-N 3.46Å |
| 93 | H | 79.4 | Confident | 79.5 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.3 | -172.6 | -87.1 | 0 | 0 | 0 | 112.1 | L89 Q91 A96 Q97 | L89-H93 VanDerWaalsContact O-CB 3.27Å; L89-H93 WeakPolarHBondContact O-CB 3.47Å; L89-H93 PolarHBondContact O-N 3.32Å; Q91-H93 VanDerWaalsContact C-N 3.34Å; H93-A96 PolarHBondContact O-N 2.9Å; H93-Q97 WeakPolarHBondContact O-CB 3.38Å; H93-Q97 PolarHBondContact O-N 2.74Å |
| 94 | A | 86.4 | Confident | 80.7 | Confident | 48 Ų | 48 | 100.1 Ų | 100.1 | 40% | 0.397 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | D90 Q91 E92 Q97 T98 | D90-A94 WeakPolarHBondContact O-CB 3.3Å; D90-A94 PolarHBondContact O-N 3.08Å; Q91-A94 PolarHBondContact O-N 3.18Å; E92-A94 PolarHBondContact O-N 3.33Å; A94-Q97 PolarHBondContact O-N 3.12Å; A94-T98 WeakPolarHBondContact O-CB 3.4Å; A94-T98 PolarHBondContact O-N 3.41Å; A94-T98 PolarHBondContact O-OG1 2.88Å |
| 95 | K | 85.6 | Confident | 82.5 | Confident | 97 Ų | 97 | 98.3 Ų | 98.3 | 42% | 0.422 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 173.7 | -72.7 | 171.9 | -176 | 172.4 | 0 | 110.7 | E87 Q91 E92 Q97 T98 A99 | E87-K95 IonicContact OE1-NZ 3.87Å; E87-K95 PolarHBondContact OE1-NZ 3.5Å; E87-K95 IonicContact OE2-NZ 2.67Å; E87-K95 PolarHBondContact OE2-NZ 2.98Å; Q91-K95 VanDerWaalsContact O-CG 3.3Å; Q91-K95 WeakPolarHBondContact O-CG 3.46Å; Q91-K95 PolarHBondContact O-N 3.43Å; E92-K95 PolarHBondContact O-N 3.39Å; K95-Q97 PolarHBondContact O-N 3.43Å; K95-T98 PolarHBondContact O-N 3.34Å; K95-A99 WeakPolarHBondContact O-CB 3.43Å; K95-A99 PolarHBondContact O-N 3.36Å |
| 96 | A | 86.4 | Confident | 83.7 | Confident | 54 Ų | 54 | 97 Ų | 97 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E92 H93 T98 A99 V100 | E92-A96 WeakPolarHBondContact O-CB 3.22Å; E92-A96 PolarHBondContact O-N 3.46Å; H93-A96 PolarHBondContact O-N 2.9Å; A96-T98 VanDerWaalsContact C-N 3.35Å; A96-T98 PolarHBondContact O-N 3.26Å; A96-A99 PolarHBondContact O-N 3.44Å; A96-V100 VanDerWaalsContact O-CG2 3.28Å; A96-V100 WeakPolarHBondContact O-CG2 3.19Å; A96-V100 PolarHBondContact O-N 3.26Å |
| 97 | Q | 91.1 | Very high | 85.3 | Confident | 119 Ų | 119 | 98.7 Ų | 98.7 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -37.5 | 178.4 | -169.3 | 169.7 | 39.4 | 0 | 0 | 112.6 | H93 A94 K95 S101 | H93-Q97 WeakPolarHBondContact O-CB 3.38Å; H93-Q97 PolarHBondContact O-N 2.74Å; A94-Q97 PolarHBondContact O-N 3.12Å; K95-Q97 PolarHBondContact O-N 3.43Å; Q97-S101 PolarHBondContact O-N 2.78Å; Q97-S101 VanDerWaalsContact O-N 3.08Å; Q97-S101 PolarHBondContact O-OG 3.26Å |
| 98 | T | 92.3 | Very high | 86.7 | Confident | 78 Ų | 78 | 97.3 Ų | 97.3 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 174.1 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | A94 K95 A96 V100 S101 E102 | A94-T98 WeakPolarHBondContact O-CB 3.4Å; A94-T98 PolarHBondContact O-N 3.41Å; A94-T98 PolarHBondContact O-OG1 2.88Å; K95-T98 PolarHBondContact O-N 3.34Å; A96-T98 VanDerWaalsContact C-N 3.35Å; A96-T98 PolarHBondContact O-N 3.26Å; T98-V100 VanDerWaalsContact C-N 3.33Å; T98-V100 PolarHBondContact O-N 3.44Å; T98-S101 PolarHBondContact O-N 2.88Å; T98-S101 VanDerWaalsContact O-N 3.1Å; T98-E102 WeakPolarHBondContact O-CG 3.41Å; T98-E102 PolarHBondContact O-N 2.93Å |
| 99 | A | 89.6 | Confident | 87.8 | Confident | 44 Ų | 44 | 98.1 Ų | 98.1 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K95 A96 S101 E102 L103 | K95-A99 WeakPolarHBondContact O-CB 3.43Å; K95-A99 PolarHBondContact O-N 3.36Å; A96-A99 PolarHBondContact O-N 3.44Å; A99-S101 VanDerWaalsContact C-N 3.33Å; A99-S101 PolarHBondContact O-N 3.01Å; A99-E102 PolarHBondContact O-N 3.04Å; A99-L103 WeakPolarHBondContact O-CB 3.38Å; A99-L103 VanDerWaalsContact O-CG 3.26Å; A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 3.21Å |
| 100 | V | 90.5 | Very high | 88.7 | Confident | 72 Ų | 72 | 99.5 Ų | 99.5 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 175.2 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | A96 T98 L103 R104 | A96-V100 VanDerWaalsContact O-CG2 3.28Å; A96-V100 WeakPolarHBondContact O-CG2 3.19Å; A96-V100 PolarHBondContact O-N 3.26Å; T98-V100 VanDerWaalsContact C-N 3.33Å; T98-V100 PolarHBondContact O-N 3.44Å; V100-L103 PolarHBondContact O-N 3.49Å; V100-R104 WeakPolarHBondContact O-CG 3.45Å; V100-R104 PolarHBondContact O-N 3.48Å |
| 101 | S | 91.8 | Very high | 89.4 | Confident | 71 Ų | 71 | 99 Ų | 99 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 179.6 | -57 | 0 | 0 | 0 | 0 | 111.7 | Q97 T98 A99 R104 Q105 | Q97-S101 PolarHBondContact O-N 2.78Å; Q97-S101 VanDerWaalsContact O-N 3.08Å; Q97-S101 PolarHBondContact O-OG 3.26Å; T98-S101 PolarHBondContact O-N 2.88Å; T98-S101 VanDerWaalsContact O-N 3.1Å; A99-S101 VanDerWaalsContact C-N 3.33Å; A99-S101 PolarHBondContact O-N 3.01Å; S101-R104 PolarHBondContact O-N 3.35Å; S101-Q105 PolarHBondContact O-N 3.43Å |
| 102 | E | 93.9 | Very high | 90 | Very high | 105 Ų | 105 | 99.5 Ų | 99.5 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 175 | -70 | -179.8 | -179.2 | 0 | 0 | 112.5 | T98 A99 Q105 R106 | T98-E102 WeakPolarHBondContact O-CG 3.41Å; T98-E102 PolarHBondContact O-N 2.93Å; A99-E102 PolarHBondContact O-N 3.04Å; E102-Q105 PolarHBondContact O-N 3.4Å; E102-R106 WeakPolarHBondContact O-CB 3.1Å; E102-R106 PolarHBondContact O-N 3.33Å |
| 103 | L | 91.5 | Very high | 90.5 | Very high | 107 Ų | 107 | 99.4 Ų | 99.4 | 56% | 0.56 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.2 | -41.6 | 176.4 | -74.8 | 173 | 0 | 0 | 0 | 111.8 | A99 V100 R106 E107 | A99-L103 WeakPolarHBondContact O-CB 3.38Å; A99-L103 VanDerWaalsContact O-CG 3.26Å; A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 3.21Å; V100-L103 PolarHBondContact O-N 3.49Å; L103-R106 PolarHBondContact O-N 3.29Å; L103-E107 PolarHBondContact O-N 3.48Å |
| 104 | R | 92.2 | Very high | 90.7 | Very high | 178 Ų | 178 | 99.9 Ų | 99.9 | 67% | 0.672 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -41.1 | 174.9 | -77.3 | -177.3 | 177.7 | -168.4 | 0.3 | 112.5 | V100 S101 R106 E107 E108 | V100-R104 WeakPolarHBondContact O-CG 3.45Å; V100-R104 PolarHBondContact O-N 3.48Å; S101-R104 PolarHBondContact O-N 3.35Å; R104-R106 VanDerWaalsContact C-N 3.33Å; R104-E107 PolarHBondContact O-N 3.15Å; R104-E108 PolarHBondContact O-N 3Å |
| 105 | Q | 95.4 | Very high | 90.9 | Very high | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 174.7 | -177.1 | -177.6 | -13.3 | 0 | 0 | 111.1 | S101 E102 E107 E108 E109 | S101-Q105 PolarHBondContact O-N 3.43Å; E102-Q105 PolarHBondContact O-N 3.4Å; Q105-E107 PolarHBondContact O-N 3.02Å; Q105-E108 WeakPolarHBondContact O-CB 3.36Å; Q105-E108 PolarHBondContact O-N 3.46Å; Q105-E109 PolarHBondContact NE2-OE1 3.24Å; Q105-E109 VanDerWaalsContact NE2-OE1 3.13Å; Q105-E109 WeakPolarHBondContact O-CG 3.37Å; Q105-E109 PolarHBondContact O-N 3.05Å |
| 106 | R | 87.1 | Confident | 91.1 | Very high | 118 Ų | 118 | 101 Ų | 101 | 45% | 0.445 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -40 | 178.9 | -169.6 | 174.5 | -69.1 | 107.7 | -1 | 111.9 | E102 L103 R104 E109 W110 | E102-R106 WeakPolarHBondContact O-CB 3.1Å; E102-R106 PolarHBondContact O-N 3.33Å; L103-R106 PolarHBondContact O-N 3.29Å; R104-R106 VanDerWaalsContact C-N 3.33Å; R106-E109 PolarHBondContact O-N 2.93Å; R106-W110 PolarHBondContact O-N 3.44Å |
| 107 | E | 91.3 | Very high | 90.7 | Very high | 132 Ų | 132 | 102.8 Ų | 102.8 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.2 | -47.1 | 173.4 | -175.9 | -170.4 | 179.9 | 0 | 0 | 111.5 | L103 R104 Q105 E109 W110 R111 | L103-E107 PolarHBondContact O-N 3.48Å; R104-E107 PolarHBondContact O-N 3.15Å; Q105-E107 PolarHBondContact O-N 3.02Å; E107-E109 PolarHBondContact O-N 3.36Å; E107-W110 PolarHBondContact O-N 3.5Å; E107-R111 PolarHBondContact O-N 3.45Å |
| 108 | E | 93.6 | Very high | 90.2 | Very high | 64 Ų | 64 | 100.8 Ų | 100.8 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 177.2 | -177.7 | 62.6 | -137.7 | 0 | 0 | 112.2 | R104 Q105 W110 R111 Q112 | R104-E108 PolarHBondContact O-N 3Å; Q105-E108 WeakPolarHBondContact O-CB 3.36Å; Q105-E108 PolarHBondContact O-N 3.46Å; E108-W110 VanDerWaalsContact C-N 3.29Å; E108-W110 PolarHBondContact O-N 2.93Å; E108-R111 VanDerWaalsContact CD-CZ 3.46Å; E108-R111 PolarHBondContact O-N 3.32Å; E108-R111 IonicContact OE1-CZ 3.61Å; E108-R111 IonicContact OE1-NE 2.66Å; E108-R111 IonicContact OE1-NH1 3.26Å; E108-R111 IonicContact OE1-NH2 2.93Å; E108-R111 PolarHBondContact OE1-NH2 2.82Å; E108-R111 IonicContact OE2-CZ 3.93Å; E108-R111 IonicContact OE2-NH1 3.01Å; E108-R111 PolarHBondContact OE2-NH1 3.48Å; E108-R111 IonicContact OE2-NH2 3.93Å; E108-R111 PolarHBondContact OE2-NH2 3.36Å; E108-Q112 WeakPolarHBondContact O-CG 3.31Å; E108-Q112 PolarHBondContact O-N 2.97Å; E108-Q112 PolarHBondContact OE1-NE2 3.44Å |
| 109 | E | 94.1 | Very high | 89.7 | Confident | 81 Ų | 81 | 102.1 Ų | 102.1 | 38% | 0.379 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 175.6 | -72.9 | 174 | -166.1 | 0 | 0 | 112.2 | Q105 R106 E107 K113 | Q105-E109 PolarHBondContact NE2-OE1 3.24Å; Q105-E109 VanDerWaalsContact NE2-OE1 3.13Å; Q105-E109 WeakPolarHBondContact O-CG 3.37Å; Q105-E109 PolarHBondContact O-N 3.05Å; R106-E109 PolarHBondContact O-N 2.93Å; E107-E109 PolarHBondContact O-N 3.36Å; E109-K113 WeakPolarHBondContact O-CG 3.44Å; E109-K113 PolarHBondContact O-N 3.01Å; E109-K113 VanDerWaalsContact O-N 3.14Å |
| 110 | W | 90.4 | Very high | 89 | Confident | 161 Ų | 161 | 108 Ų | 108 | 61% | 0.61 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70 | -38.5 | 175.1 | -81.9 | 113.1 | 0 | 0 | 0 | 112.2 | R106 E107 E108 Q112 K113 E114 | R106-W110 PolarHBondContact O-N 3.44Å; E107-W110 PolarHBondContact O-N 3.5Å; E108-W110 VanDerWaalsContact C-N 3.29Å; E108-W110 PolarHBondContact O-N 2.93Å; W110-Q112 VanDerWaalsContact C-N 3.33Å; W110-Q112 PolarHBondContact O-N 2.95Å; W110-K113 HydrophobicContact CD2-CD 4.47Å; W110-K113 HydrophobicContact CE3-CB 4.46Å; W110-K113 HydrophobicContact CE3-CD 4.03Å; W110-K113 HydrophobicContact CZ3-CD 4.26Å; W110-K113 WeakPolarHBondContact O-CB 3.32Å; W110-K113 PolarHBondContact O-N 3.38Å; W110-E114 WeakPolarHBondContact O-CB 3.46Å; W110-E114 PolarHBondContact O-N 2.91Å |
| 111 | R | 92.8 | Very high | 87.9 | Confident | 110 Ų | 110 | 110.8 Ų | 110.8 | 42% | 0.415 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.1 | -165.8 | 176.8 | 74.3 | -135.4 | 4.5 | 111.5 | E107 E108 K113 E114 E115 | E107-R111 PolarHBondContact O-N 3.45Å; E108-R111 VanDerWaalsContact CD-CZ 3.46Å; E108-R111 PolarHBondContact O-N 3.32Å; E108-R111 IonicContact OE1-CZ 3.61Å; E108-R111 IonicContact OE1-NE 2.66Å; E108-R111 IonicContact OE1-NH1 3.26Å; E108-R111 IonicContact OE1-NH2 2.93Å; E108-R111 PolarHBondContact OE1-NH2 2.82Å; E108-R111 IonicContact OE2-CZ 3.93Å; E108-R111 IonicContact OE2-NH1 3.01Å; E108-R111 PolarHBondContact OE2-NH1 3.48Å; E108-R111 IonicContact OE2-NH2 3.93Å; E108-R111 PolarHBondContact OE2-NH2 3.36Å; R111-K113 PolarHBondContact O-N 2.66Å; R111-E114 PolarHBondContact O-N 3.01Å; R111-E115 IonicContact NE-OE1 2.7Å; R111-E115 WeakPolarHBondContact O-CG 3.45Å; R111-E115 PolarHBondContact O-N 3.12Å |
| 112 | Q | 94.2 | Very high | 87 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 51% | 0.514 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 175 | -68.6 | 174.9 | 18.8 | 0 | 0 | 112.5 | E108 W110 A116 | E108-Q112 WeakPolarHBondContact O-CG 3.31Å; E108-Q112 PolarHBondContact O-N 2.97Å; E108-Q112 PolarHBondContact OE1-NE2 3.44Å; W110-Q112 VanDerWaalsContact C-N 3.33Å; W110-Q112 PolarHBondContact O-N 2.95Å; Q112-A116 WeakPolarHBondContact O-CB 3.43Å; Q112-A116 PolarHBondContact O-N 3.3Å |
| 113 | K | 90.6 | Very high | 85.6 | Confident | 103 Ų | 103 | 117.2 Ų | 117.2 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 174.4 | -74.2 | 168.9 | -176.2 | 164.2 | 0 | 112 | E109 W110 R111 A116 L117 | E109-K113 WeakPolarHBondContact O-CG 3.44Å; E109-K113 PolarHBondContact O-N 3.01Å; E109-K113 VanDerWaalsContact O-N 3.14Å; W110-K113 HydrophobicContact CD2-CD 4.47Å; W110-K113 HydrophobicContact CE3-CB 4.46Å; W110-K113 HydrophobicContact CE3-CD 4.03Å; W110-K113 HydrophobicContact CZ3-CD 4.26Å; W110-K113 WeakPolarHBondContact O-CB 3.32Å; W110-K113 PolarHBondContact O-N 3.38Å; R111-K113 PolarHBondContact O-N 2.66Å; K113-A116 PolarHBondContact O-N 3.02Å; K113-L117 WeakPolarHBondContact O-CG 3.06Å; K113-L117 PolarHBondContact O-N 2.67Å |
| 114 | E | 85.1 | Confident | 84 | Confident | 126 Ų | 126 | 115.4 Ų | 115.4 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.7 | -48.3 | 174.9 | -176.5 | 176 | -154.9 | 0 | 0 | 110.9 | W110 R111 A116 L117 V118 | W110-E114 WeakPolarHBondContact O-CB 3.46Å; W110-E114 PolarHBondContact O-N 2.91Å; R111-E114 PolarHBondContact O-N 3.01Å; E114-A116 VanDerWaalsContact C-N 3.3Å; E114-A116 PolarHBondContact O-N 3.5Å; E114-L117 WeakPolarHBondContact O-CB 3.23Å; E114-L117 PolarHBondContact O-N 3.01Å; E114-V118 WeakPolarHBondContact O-CG2 3.49Å; E114-V118 PolarHBondContact O-N 2.94Å |
| 115 | E | 90.8 | Very high | 82.2 | Confident | 112 Ų | 112 | 112.2 Ų | 112.2 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 175.7 | -74 | 175.4 | -159.7 | 0 | 0 | 112.1 | R111 L117 V118 Q119 | R111-E115 IonicContact NE-OE1 2.7Å; R111-E115 WeakPolarHBondContact O-CG 3.45Å; R111-E115 PolarHBondContact O-N 3.12Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 3.11Å; E115-V118 PolarHBondContact O-N 3.13Å; E115-Q119 WeakPolarHBondContact O-CG 3.5Å; E115-Q119 PolarHBondContact O-N 2.98Å |
| 116 | A | 88.6 | Confident | 80.3 | Confident | 55 Ų | 55 | 116.7 Ų | 116.7 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q112 K113 E114 R120 | Q112-A116 WeakPolarHBondContact O-CB 3.43Å; Q112-A116 PolarHBondContact O-N 3.3Å; K113-A116 PolarHBondContact O-N 3.02Å; E114-A116 VanDerWaalsContact C-N 3.3Å; E114-A116 PolarHBondContact O-N 3.5Å; A116-R120 WeakPolarHBondContact O-CB 3.42Å; A116-R120 PolarHBondContact O-N 3.06Å; A116-R120 VanDerWaalsContact O-N 3.09Å |
| 117 | L | 78.3 | Confident | 78.9 | Confident | 92 Ų | 92 | 115.4 Ų | 115.4 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.3 | -44.9 | 173.3 | -73.9 | 173.2 | 0 | 0 | 0 | 111.2 | K113 E114 E115 Q119 R120 E121 | K113-L117 WeakPolarHBondContact O-CG 3.06Å; K113-L117 PolarHBondContact O-N 2.67Å; E114-L117 WeakPolarHBondContact O-CB 3.23Å; E114-L117 PolarHBondContact O-N 3.01Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 3.11Å; L117-Q119 VanDerWaalsContact C-N 3.33Å; L117-Q119 PolarHBondContact O-N 3.5Å; L117-R120 WeakPolarHBondContact O-CB 3.32Å; L117-R120 PolarHBondContact O-N 3.24Å; L117-R120 VanDerWaalsContact O-N 3.13Å; L117-E121 WeakPolarHBondContact O-CG 2.98Å; L117-E121 PolarHBondContact O-N 3.07Å |
| 118 | V | 81.1 | Confident | 76.9 | Confident | 77 Ų | 77 | 116.7 Ų | 116.7 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | E114 E115 E121 R122 | E114-V118 WeakPolarHBondContact O-CG2 3.49Å; E114-V118 PolarHBondContact O-N 2.94Å; E115-V118 PolarHBondContact O-N 3.13Å; V118-E121 PolarHBondContact O-N 2.73Å; V118-R122 WeakPolarHBondContact O-CB 3.44Å; V118-R122 PolarHBondContact O-N 2.97Å |
| 119 | Q | 81.1 | Confident | 75.2 | Confident | 106 Ų | 106 | 120.7 Ų | 120.7 | 50% | 0.495 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.2 | -39.9 | 175.1 | -69 | -64.1 | -10.4 | 0 | 0 | 112.1 | E115 L117 R122 M123 | E115-Q119 WeakPolarHBondContact O-CG 3.5Å; E115-Q119 PolarHBondContact O-N 2.98Å; L117-Q119 VanDerWaalsContact C-N 3.33Å; L117-Q119 PolarHBondContact O-N 3.5Å; Q119-R122 PolarHBondContact O-N 3Å; Q119-M123 WeakPolarHBondContact O-CG 3.44Å; Q119-M123 PolarHBondContact O-N 3.35Å |
| 120 | R | 74.2 | Confident | 73.4 | Confident | 169 Ų | 169 | 119.6 Ų | 119.6 | 64% | 0.638 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.2 | -44.6 | 174.9 | -173.5 | -172.5 | -61.6 | 175.7 | 0.6 | 111.5 | A116 L117 R122 M123 C124 | A116-R120 WeakPolarHBondContact O-CB 3.42Å; A116-R120 PolarHBondContact O-N 3.06Å; A116-R120 VanDerWaalsContact O-N 3.09Å; L117-R120 WeakPolarHBondContact O-CB 3.32Å; L117-R120 PolarHBondContact O-N 3.24Å; L117-R120 VanDerWaalsContact O-N 3.13Å; R120-R122 VanDerWaalsContact C-N 3.35Å; R120-M123 PolarHBondContact O-N 2.98Å; R120-C124 WeakPolarHBondContact O-CB 3.22Å; R120-C124 PolarHBondContact O-N 3.29Å |
| 121 | E | 68.4 | Low | 71.8 | Confident | 130 Ų | 130 | 117.7 Ų | 117.7 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.8 | -44.7 | 174.5 | -74.8 | -177.9 | 168.7 | 0 | 0 | 111 | L117 V118 M123 C124 L125 | L117-E121 WeakPolarHBondContact O-CG 2.98Å; L117-E121 PolarHBondContact O-N 3.07Å; V118-E121 PolarHBondContact O-N 2.73Å; E121-M123 VanDerWaalsContact C-N 3.33Å; E121-M123 PolarHBondContact O-N 3.35Å; E121-C124 CarbonylContact O-C 3.23Å; E121-C124 WeakPolarHBondContact O-CA 3.31Å; E121-C124 WeakPolarHBondContact O-CB 3.31Å; E121-C124 PolarHBondContact O-N 3.37Å; E121-L125 WeakPolarHBondContact O-CG 3.23Å; E121-L125 PolarHBondContact O-N 3.37Å |
| 122 | R | 73.1 | Confident | 70.2 | Confident | 168 Ų | 168 | 116.4 Ų | 116.4 | 63% | 0.634 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.9 | -39.1 | 176.3 | -172.8 | 179.9 | -120.4 | -159.7 | -0 | 112.9 | V118 Q119 R120 C124 | V118-R122 WeakPolarHBondContact O-CB 3.44Å; V118-R122 PolarHBondContact O-N 2.97Å; Q119-R122 PolarHBondContact O-N 3Å; R120-R122 VanDerWaalsContact C-N 3.35Å; R122-C124 VanDerWaalsContact C-N 3.33Å |
| 123 | M | 64.5 | Low | 68.9 | Low | 142 Ų | 142 | 120 Ų | 120 | 70% | 0.7 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.7 | -32.7 | 172.6 | -77.9 | 159 | 63 | 0 | 0 | 111.9 | Q119 R120 E121 | Q119-M123 WeakPolarHBondContact O-CG 3.44Å; Q119-M123 PolarHBondContact O-N 3.35Å; R120-M123 PolarHBondContact O-N 2.98Å; E121-M123 VanDerWaalsContact C-N 3.33Å; E121-M123 PolarHBondContact O-N 3.35Å |
| 124 | C | 58.2 | Low | 67.7 | Low | 70 Ų | 70 | 120.3 Ų | 120.3 | 47% | 0.473 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.7 | -22.7 | 178.7 | -148.3 | 0 | 0 | 0 | 0 | 113.3 | R120 E121 R122 W126 N127 | R120-C124 WeakPolarHBondContact O-CB 3.22Å; R120-C124 PolarHBondContact O-N 3.29Å; E121-C124 CarbonylContact O-C 3.23Å; E121-C124 WeakPolarHBondContact O-CA 3.31Å; E121-C124 WeakPolarHBondContact O-CB 3.31Å; E121-C124 PolarHBondContact O-N 3.37Å; R122-C124 VanDerWaalsContact C-N 3.33Å; C124-W126 PolarHBondContact O-N 3.45Å; C124-W126 VanDerWaalsContact O-N 3.16Å; C124-N127 WeakPolarHBondContact O-CB 3.46Å; C124-N127 PolarHBondContact O-N 2.97Å; C124-N127 PolarHBondContact O-ND2 2.96Å; C124-N127 PolarHBondContact SG-ND2 3.44Å |
| 125 | L | 54.4 | Low | 66.8 | Low | 111 Ų | 111 | 121 Ų | 121 | 58% | 0.581 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -13.1 | 178.2 | -76.2 | 170.8 | 0 | 0 | 0 | 114.6 | E121 A130 | E121-L125 WeakPolarHBondContact O-CG 3.23Å; E121-L125 PolarHBondContact O-N 3.37Å; L125-A130 HydrophobicContact CD2-CB 4.35Å |
| 126 | W | 55.4 | Low | 65.1 | Low | 214 Ų | 214 | 123.2 Ų | 123.2 | 81% | 0.811 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 0.8 | 173.1 | -67.6 | 94.7 | 0 | 0 | 0 | 113.7 | C124 | C124-W126 PolarHBondContact O-N 3.45Å; C124-W126 VanDerWaalsContact O-N 3.16Å |
| 127 | N | 57.2 | Low | 64.3 | Low | 90 Ų | 90 | 126.3 Ų | 126.3 | 48% | 0.481 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -75.8 | 139.2 | 171 | -67.2 | -42.4 | 0 | 0 | 0 | 109.7 | C124 D129 A130 | C124-N127 WeakPolarHBondContact O-CB 3.46Å; C124-N127 PolarHBondContact O-N 2.97Å; C124-N127 PolarHBondContact O-ND2 2.96Å; C124-N127 PolarHBondContact SG-ND2 3.44Å; N127-D129 PolarHBondContact O-N 3.21Å; N127-A130 PolarHBondContact O-N 3.49Å |
| 128 | M | 50.1 | Low | 64.2 | Low | 159 Ų | 159 | 127.6 Ų | 127.6 | 78% | 0.783 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -50.8 | -27.1 | -173.1 | -165.3 | 133.2 | 59.4 | 0 | 0 | 114.2 | A130 I131 | M128-A130 VanDerWaalsContact C-N 3.33Å; M128-A130 PolarHBondContact O-N 3.4Å; M128-I131 PolarHBondContact O-N 3.45Å |
| 129 | D | 57.4 | Low | 63.7 | Low | 148 Ų | 148 | 128.6 Ų | 128.6 | 79% | 0.791 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.2 | -19.6 | 176.7 | -65 | -32.7 | 0 | 0 | 0 | 114.7 | N127 | N127-D129 PolarHBondContact O-N 3.21Å |
| 130 | A | 54.7 | Low | 63.2 | Low | 58 Ų | 58 | 131.3 Ų | 131.3 | 48% | 0.479 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -87.7 | -20.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L125 N127 M128 | L125-A130 HydrophobicContact CD2-CB 4.35Å; N127-A130 PolarHBondContact O-N 3.49Å; M128-A130 VanDerWaalsContact C-N 3.33Å; M128-A130 PolarHBondContact O-N 3.4Å |
| 131 | I | 57.4 | Low | 63.1 | Low | 121 Ų | 121 | 130.1 Ų | 130.1 | 62% | 0.621 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -93.3 | -32.2 | -173.1 | -61.5 | 174.7 | 0 | 0 | 0 | 111.8 | M128 | M128-I131 PolarHBondContact O-N 3.45Å |
| 132 | S | 58.7 | Low | 63 | Low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 67% | 0.665 | S | S | * | * | trans | -128 | 101.6 | 178.4 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 133 | K | 67.4 | Low | 62.2 | Low | 187 Ų | 187 | 130.4 Ų | 130.4 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | trans | -79.4 | 119.5 | 155.8 | -75.7 | -179.1 | 178.4 | 177 | 0 | 107.2 | V135 | K133-V135 WeakPolarHBondContact O-CG2 3.39Å; K133-V135 PolarHBondContact O-N 3.45Å | ||
| 134 | D | 66.4 | Low | 61.6 | Low | 109 Ų | 109 | 130.7 Ų | 130.7 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | trans | -66.3 | 101.4 | 176 | -166 | -5.9 | 0 | 0 | 0 | 109.2 | F136 N137 | D134-F136 VanDerWaalsContact C-N 3.27Å; D134-F136 VanDerWaalsContact OD1-C 3.32Å; D134-F136 PolarHBondContact OD1-N 3.18Å; D134-N137 WeakPolarHBondContact OD2-CB 3.27Å; D134-N137 PolarHBondContact OD2-ND2 3.44Å | ||
| 135 | V | 66.2 | Low | 61.6 | Low | 141 Ų | 141 | 135.3 Ų | 135.3 | 86% | 0.855 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -77.6 | -17.5 | -177.2 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | K133 | K133-V135 WeakPolarHBondContact O-CG2 3.39Å; K133-V135 PolarHBondContact O-N 3.45Å |
| 136 | F | 54.7 | Low | 61.3 | Low | 158 Ų | 158 | 140.9 Ų | 140.9 | 69% | 0.693 | 70% | 0.699 | S | S | * | * | trans | -152.3 | 88.8 | -179.1 | -169.8 | -101.7 | 0 | 0 | 0 | 112.1 | D134 K138 | D134-F136 VanDerWaalsContact C-N 3.27Å; D134-F136 VanDerWaalsContact OD1-C 3.32Å; D134-F136 PolarHBondContact OD1-N 3.18Å; F136-K138 HydrophobicContact CD1-CB 4.15Å; F136-K138 HydrophobicContact CE1-CB 3.47Å; F136-K138 VanDerWaalsContact CE1-CB 3.47Å; F136-K138 HydrophobicContact CE1-CD 4.22Å; F136-K138 HydrophobicContact CE1-CG 4.48Å; F136-K138 HydrophobicContact CE2-CB 4.24Å; F136-K138 HydrophobicContact CE2-CD 4.36Å; F136-K138 HydrophobicContact CZ-CB 3.53Å; F136-K138 HydrophobicContact CZ-CD 3.58Å; F136-K138 HydrophobicContact CZ-CG 4.2Å | ||
| 137 | N | 70.8 | Confident | 60.9 | Low | 120 Ų | 120 | 138.6 Ų | 138.6 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | trans | -97.5 | 92 | 168.2 | -159.2 | -68.9 | 0 | 0 | 0 | 110.1 | D134 | D134-N137 WeakPolarHBondContact OD2-CB 3.27Å; D134-N137 PolarHBondContact OD2-ND2 3.44Å | ||
| 138 | K | 77.3 | Confident | 60.2 | Low | 119 Ų | 119 | 141 Ų | 141 | 52% | 0.517 | 71% | 0.713 | S | S | . | * | trans | -111.3 | 96.7 | 173.5 | -167.4 | 172.9 | -171.8 | -177 | 0 | 110.3 | F136 F140 | F136-K138 HydrophobicContact CD1-CB 4.15Å; F136-K138 HydrophobicContact CE1-CB 3.47Å; F136-K138 VanDerWaalsContact CE1-CB 3.47Å; F136-K138 HydrophobicContact CE1-CD 4.22Å; F136-K138 HydrophobicContact CE1-CG 4.48Å; F136-K138 HydrophobicContact CE2-CB 4.24Å; F136-K138 HydrophobicContact CE2-CD 4.36Å; F136-K138 HydrophobicContact CZ-CB 3.53Å; F136-K138 HydrophobicContact CZ-CD 3.58Å; F136-K138 HydrophobicContact CZ-CG 4.2Å; K138-F140 HydrophobicContact CD-CD2 4.4Å; K138-F140 HydrophobicContact CD-CE1 4.4Å; K138-F140 HydrophobicContact CD-CE2 3.58Å; K138-F140 HydrophobicContact CD-CZ 3.63Å; K138-F140 HydrophobicContact CG-CD2 4.16Å; K138-F140 HydrophobicContact CG-CE2 3.83Å; K138-F140 HydrophobicContact CG-CZ 4.21Å; K138-F140 VanDerWaalsContact NZ-CZ 3.28Å | ||
| 139 | S | 71.1 | Confident | 60.1 | Low | 97 Ų | 97 | 141.4 Ų | 141.4 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | -86 | 117.8 | 169.6 | -66.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 140 | F | 68.8 | Low | 59.9 | Low | 164 Ų | 164 | 141.6 Ų | 141.6 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | trans | -92.9 | 104.4 | 169 | -71.9 | -85.9 | 0 | 0 | 0 | 108.9 | K138 N142 | K138-F140 HydrophobicContact CD-CD2 4.4Å; K138-F140 HydrophobicContact CD-CE1 4.4Å; K138-F140 HydrophobicContact CD-CE2 3.58Å; K138-F140 HydrophobicContact CD-CZ 3.63Å; K138-F140 HydrophobicContact CG-CD2 4.16Å; K138-F140 HydrophobicContact CG-CE2 3.83Å; K138-F140 HydrophobicContact CG-CZ 4.21Å; K138-F140 VanDerWaalsContact NZ-CZ 3.28Å; F140-N142 PolarHBondContact O-N 2.98Å | ||
| 141 | I | 72.6 | Confident | 59.7 | Low | 143 Ų | 143 | 144.5 Ų | 144.5 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | -77.1 | 118.9 | 165 | -66 | 168 | 0 | 0 | 0 | 106.2 | Q143 | I141-Q143 HydrophobicContact CG2-CG 4.41Å; I141-Q143 PolarHBondContact O-N 3.14Å | ||
| 142 | N | 65.8 | Low | 59.2 | Low | 149 Ų | 149 | 145.3 Ų | 145.3 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | trans | -69.5 | 84.8 | 173 | -157.8 | 25.3 | 0 | 0 | 0 | 107.4 | F140 D144 | F140-N142 PolarHBondContact O-N 2.98Å; N142-D144 PolarHBondContact O-N 3.31Å | ||
| 143 | Q | 58 | Low | 59 | Low | 155 Ų | 155 | 151.2 Ų | 151.2 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | -60.4 | 132.7 | 172.9 | -69.2 | -175.1 | 5.1 | 0 | 0 | 107.5 | I141 K145 | I141-Q143 HydrophobicContact CG2-CG 4.41Å; I141-Q143 PolarHBondContact O-N 3.14Å; Q143-K145 VanDerWaalsContact C-N 3.31Å; Q143-K145 WeakPolarHBondContact O-CG 3.36Å; Q143-K145 PolarHBondContact O-N 3Å | ||
| 144 | D | 52 | Low | 58.7 | Low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -59.7 | 95.1 | 178.5 | -163.8 | 5.2 | 0 | 0 | 0 | 108.7 | N142 R146 | N142-D144 PolarHBondContact O-N 3.31Å; D144-R146 VanDerWaalsContact C-N 3.26Å; D144-R146 PolarHBondContact O-N 3.32Å | ||
| 145 | K | 56.6 | Low | 58.4 | Low | 167 Ų | 167 | 148.1 Ų | 148.1 | 73% | 0.726 | 74% | 0.735 | S | S | * | * | trans | -72.6 | 90.8 | 177.4 | -61.5 | -175.4 | -173.7 | -180 | 0 | 105.5 | Q143 K147 | Q143-K145 VanDerWaalsContact C-N 3.31Å; Q143-K145 WeakPolarHBondContact O-CG 3.36Å; Q143-K145 PolarHBondContact O-N 3Å; K145-K147 WeakPolarHBondContact O-CG 3.48Å; K145-K147 PolarHBondContact O-N 2.93Å | ||
| 146 | R | 49.7 | Very low | 59.3 | Low | 228 Ų | 228 | 144 Ų | 144 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | -55.2 | 100.2 | 156.9 | -64.3 | -171.8 | -161.4 | -178.6 | 5.8 | 105.5 | D144 T148 | D144-R146 VanDerWaalsContact C-N 3.26Å; D144-R146 PolarHBondContact O-N 3.32Å; R146-T148 PolarHBondContact O-N 3.48Å | ||
| 147 | K | 46.9 | Very low | 60.9 | Low | 166 Ų | 166 | 139.1 Ų | 139.1 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | trans | -66.4 | 106.4 | -176.5 | -65.5 | -177.1 | -178.4 | 179.1 | 0 | 106.6 | K145 E149 | K145-K147 WeakPolarHBondContact O-CG 3.48Å; K145-K147 PolarHBondContact O-N 2.93Å; K147-E149 VanDerWaalsContact C-N 3.3Å; K147-E149 PolarHBondContact O-N 2.8Å; K147-E149 VanDerWaalsContact O-N 3.14Å | ||
| 148 | T | 41.7 | Very low | 61.6 | Low | 140 Ų | 140 | 136.9 Ų | 136.9 | 86% | 0.859 | 68% | 0.678 | S | S | * | * | trans | -64.3 | 104 | 149.5 | -51.8 | 0 | 0 | 0 | 0 | 104.7 | R146 D150 | R146-T148 PolarHBondContact O-N 3.48Å; T148-D150 PolarHBondContact O-N 2.94Å | ||
| 149 | E | 49.1 | Very low | 62.1 | Low | 168 Ų | 168 | 136.7 Ų | 136.7 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | trans | -62.5 | 105 | 175 | -70.9 | 177.1 | 165.5 | 0 | 0 | 108.5 | K147 | K147-E149 VanDerWaalsContact C-N 3.3Å; K147-E149 PolarHBondContact O-N 2.8Å; K147-E149 VanDerWaalsContact O-N 3.14Å | ||
| 150 | D | 52.5 | Low | 63.1 | Low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | trans | -103.8 | 81.9 | 158.1 | -159.2 | 14.5 | 0 | 0 | 0 | 105.2 | T148 | T148-D150 PolarHBondContact O-N 2.94Š| ||
| 151 | E | 50.6 | Low | 64.3 | Low | 118 Ų | 118 | 130.5 Ų | 130.5 | 55% | 0.551 | 64% | 0.638 | S | S | * | * | trans | -124.8 | 127.3 | 172.8 | -91.3 | -161.3 | 136.7 | 0 | 0 | 109.6 | K153 K160 | E151-K153 PolarHBondContact O-N 2.77Å; E151-K160 IonicContact OE1-NZ 2.7Å; E151-K160 PolarHBondContact OE1-NZ 3.46Å | ||
| 152 | D | 47.1 | Very low | 65.4 | Low | 138 Ų | 138 | 126.5 Ų | 126.5 | 74% | 0.738 | 62% | 0.616 | S | S | * | * | trans | -0.5 | 105.1 | 167.5 | -72.5 | -45.3 | 0 | 0 | 0 | 117.1 | S154 | D152-S154 PolarHBondContact O-N 3.41Š| ||
| 153 | K | 54.6 | Low | 66.8 | Low | 207 Ų | 207 | 126.1 Ų | 126.1 | 90% | 0.9 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 30.6 | -172.2 | -67.7 | 178.9 | 176.9 | 172.6 | 0 | 117 | E151 | E151-K153 PolarHBondContact O-N 2.77Š|
| 154 | S | 59.8 | Low | 68.7 | Low | 105 Ų | 105 | 122.4 Ų | 122.4 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | -14.2 | 179.4 | 49.6 | 0 | 0 | 0 | 0 | 117.1 | D152 | D152-S154 PolarHBondContact O-N 3.41Š|
| 155 | Q | 61 | Low | 70.9 | Confident | 127 Ų | 127 | 115.3 Ų | 115.3 | 59% | 0.593 | 55% | 0.554 | S | S | * | * | trans | -129.9 | 127.1 | 177.2 | -71.1 | -174.2 | -9.3 | 0 | 0 | 111.7 | Q159 | Q155-Q159 HydrophobicContact CB-CB 4.43Š| ||
| 156 | S | 85.1 | Confident | 72.9 | Confident | 55 Ų | 55 | 112 Ų | 112 | 39% | 0.385 | 54% | 0.536 | S | S | . | . | trans | -68.4 | 154.3 | 173.6 | 69.5 | 0 | 0 | 0 | 0 | 110.6 | M158 Q159 K160 | S156-M158 PolarHBondContact O-N 2.9Å; S156-M158 VanDerWaalsContact O-N 3.11Å; S156-Q159 WeakPolarHBondContact O-CA 3.47Å; S156-Q159 WeakPolarHBondContact O-CB 3.27Å; S156-Q159 PolarHBondContact O-N 3.04Å; S156-Q159 PolarHBondContact OG-N 3.06Å; S156-K160 PolarHBondContact O-N 3.31Å | ||
| 157 | F | 88.1 | Confident | 75.2 | Confident | 55 Ų | 55 | 105.7 Ų | 105.7 | 24% | 0.241 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -47.4 | -42.8 | 175.9 | 176.7 | -85.6 | 0 | 0 | 0 | 112.2 | Q159 K160 Y161 I165 Y186 C189 E191 | F157-Q159 VanDerWaalsContact C-N 3.34Å; F157-Q159 PolarHBondContact O-N 3.48Å; F157-K160 PolarHBondContact O-N 3.5Å; F157-Y161 HydrophobicContact CD1-CD2 4.32Å; F157-Y161 AromaticContact CD2-CD2 3.6Å; F157-Y161 HydrophobicContact CD2-CD2 3.6Å; F157-Y161 AromaticContact CD2-CE2 3.65Å; F157-Y161 HydrophobicContact CD2-CE2 3.65Å; F157-Y161 HydrophobicContact CE1-CD2 4.2Å; F157-Y161 AromaticContact CE2-CD2 3.46Å; F157-Y161 HydrophobicContact CE2-CD2 3.46Å; F157-Y161 VanDerWaalsContact CE2-CD2 3.46Å; F157-Y161 AromaticContact CE2-CE2 3.56Å; F157-Y161 HydrophobicContact CE2-CE2 3.56Å; F157-Y161 HydrophobicContact CG-CD2 4.04Å; F157-Y161 HydrophobicContact CG-CE2 4.46Å; F157-Y161 AromaticContact CZ-CD2 3.77Å; F157-Y161 HydrophobicContact CZ-CD2 3.77Å; F157-Y161 HydrophobicContact CZ-CE2 4.31Å; F157-Y161 WeakPolarHBondContact O-CD2 3.47Å; F157-Y161 PolarHBondContact O-N 3.39Å; F157-Y161 VanDerWaalsContact O-N 3.09Å; F157-I165 HydrophobicContact CE1-CD1 4.25Å; F157-Y186 WeakPolarHBondContact CZ-O 3.28Å; F157-C189 VanDerWaalsContact CE1-SG 3.54Å; F157-C189 WeakPolarHBondContact CZ-SG 3.23Å; F157-E191 HydrophobicContact CD1-CB 3.53Å; F157-E191 HydrophobicContact CD1-CG 4.16Å; F157-E191 HydrophobicContact CE1-CB 3.92Å; F157-E191 HydrophobicContact CG-CB 4.31Å; F157-E191 HydrophobicContact CG-CG 4.47Å |
| 158 | M | 85.6 | Confident | 77.6 | Confident | 72 Ų | 72 | 97.8 Ų | 97.8 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 178.1 | -69.8 | -174.7 | -75.3 | 0 | 0 | 112.3 | S156 E162 Y195 | S156-M158 PolarHBondContact O-N 2.9Å; S156-M158 VanDerWaalsContact O-N 3.11Å; M158-E162 VanDerWaalsContact O-CA 3.27Å; M158-E162 WeakPolarHBondContact O-CA 3.41Å; M158-E162 VanDerWaalsContact O-CB 3.29Å; M158-E162 WeakPolarHBondContact O-CB 3.43Å; M158-E162 PolarHBondContact O-N 3.3Å; M158-Y195 HydrophobicContact CB-CD2 4.14Å; M158-Y195 HydrophobicContact CG-CD2 4.23Å; M158-Y195 HydrophobicContact SD-CD2 4.2Å |
| 159 | Q | 87.8 | Confident | 80.3 | Confident | 115 Ų | 115 | 91.1 Ų | 91.1 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.7 | -43.7 | 176.8 | -72.9 | 172 | -18.7 | 0 | 0 | 111.7 | Q155 S156 F157 Y161 | Q155-Q159 HydrophobicContact CB-CB 4.43Å; S156-Q159 WeakPolarHBondContact O-CA 3.47Å; S156-Q159 WeakPolarHBondContact O-CB 3.27Å; S156-Q159 PolarHBondContact O-N 3.04Å; S156-Q159 PolarHBondContact OG-N 3.06Å; F157-Q159 VanDerWaalsContact C-N 3.34Å; F157-Q159 PolarHBondContact O-N 3.48Å; Q159-Y161 VanDerWaalsContact C-N 3.28Å; Q159-Y161 PolarHBondContact O-N 3.29Å |
| 160 | K | 92.2 | Very high | 82.6 | Confident | 86 Ų | 86 | 87.5 Ų | 87.5 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | -178.2 | -173.7 | 174.4 | 179.8 | 175.6 | 0 | 112.4 | E151 S156 F157 | E151-K160 IonicContact OE1-NZ 2.7Å; E151-K160 PolarHBondContact OE1-NZ 3.46Å; S156-K160 PolarHBondContact O-N 3.31Å; F157-K160 PolarHBondContact O-N 3.5Å |
| 161 | Y | 94.3 | Very high | 84.8 | Confident | 45 Ų | 45 | 81.5 Ų | 81.5 | 18% | 0.176 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -115.7 | 12.7 | -173.7 | -57.7 | -60.5 | 0 | 0 | 0 | 114.6 | F157 Q159 Q163 K164 I165 Y186 L187 | F157-Y161 HydrophobicContact CD1-CD2 4.32Å; F157-Y161 AromaticContact CD2-CD2 3.6Å; F157-Y161 HydrophobicContact CD2-CD2 3.6Å; F157-Y161 AromaticContact CD2-CE2 3.65Å; F157-Y161 HydrophobicContact CD2-CE2 3.65Å; F157-Y161 HydrophobicContact CE1-CD2 4.2Å; F157-Y161 AromaticContact CE2-CD2 3.46Å; F157-Y161 HydrophobicContact CE2-CD2 3.46Å; F157-Y161 VanDerWaalsContact CE2-CD2 3.46Å; F157-Y161 AromaticContact CE2-CE2 3.56Å; F157-Y161 HydrophobicContact CE2-CE2 3.56Å; F157-Y161 HydrophobicContact CG-CD2 4.04Å; F157-Y161 HydrophobicContact CG-CE2 4.46Å; F157-Y161 AromaticContact CZ-CD2 3.77Å; F157-Y161 HydrophobicContact CZ-CD2 3.77Å; F157-Y161 HydrophobicContact CZ-CE2 4.31Å; F157-Y161 WeakPolarHBondContact O-CD2 3.47Å; F157-Y161 PolarHBondContact O-N 3.39Å; F157-Y161 VanDerWaalsContact O-N 3.09Å; Q159-Y161 VanDerWaalsContact C-N 3.28Å; Q159-Y161 PolarHBondContact O-N 3.29Å; Y161-Q163 VanDerWaalsContact C-N 3.32Å; Y161-Q163 PolarHBondContact O-N 2.99Å; Y161-K164 PolarHBondContact O-N 2.99Å; Y161-I165 WeakPolarHBondContact O-CG1 3.11Å; Y161-I165 PolarHBondContact O-N 3.04Å; Y161-Y186 HydrophobicContact CD1-CD2 4.23Å; Y161-Y186 AromaticContact CD1-CE2 3.49Å; Y161-Y186 HydrophobicContact CD1-CE2 3.49Å; Y161-Y186 VanDerWaalsContact CD1-CE2 3.49Å; Y161-Y186 HydrophobicContact CD2-CD2 4.22Å; Y161-Y186 HydrophobicContact CD2-CE2 4.24Å; Y161-Y186 HydrophobicContact CE1-CD2 4.11Å; Y161-Y186 AromaticContact CE1-CE2 3.58Å; Y161-Y186 HydrophobicContact CE1-CE2 3.58Å; Y161-Y186 HydrophobicContact CE2-CD2 4.1Å; Y161-Y186 HydrophobicContact CE2-CE2 4.31Å; Y161-Y186 HydrophobicContact CG-CD2 4.27Å; Y161-Y186 AromaticContact CG-CE2 3.83Å; Y161-Y186 HydrophobicContact CG-CE2 3.83Å; Y161-Y186 AromaticContact CZ-CE2 3.99Å; Y161-L187 HydrophobicContact CG-CD2 4.43Å |
| 162 | E | 93.9 | Very high | 86.9 | Confident | 59 Ų | 59 | 79 Ų | 79 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -48.5 | -50.6 | -174 | -174.4 | 170.2 | -162.1 | 0 | 0 | 113 | M158 K164 I165 R166 Y195 | M158-E162 VanDerWaalsContact O-CA 3.27Å; M158-E162 WeakPolarHBondContact O-CA 3.41Å; M158-E162 VanDerWaalsContact O-CB 3.29Å; M158-E162 WeakPolarHBondContact O-CB 3.43Å; M158-E162 PolarHBondContact O-N 3.3Å; E162-K164 VanDerWaalsContact C-N 3.27Å; E162-K164 PolarHBondContact O-N 3.26Å; E162-I165 PolarHBondContact O-N 3.49Å; E162-R166 HydrophobicContact CG-CG 4.43Å; E162-R166 WeakPolarHBondContact O-CG 3.13Å; E162-R166 PolarHBondContact O-N 3.32Å; E162-R166 IonicContact OE1-CZ 3.39Å; E162-R166 VanDerWaalsContact OE1-CZ 3.31Å; E162-R166 IonicContact OE1-NE 2.84Å; E162-R166 PolarHBondContact OE1-NE 3.33Å; E162-R166 IonicContact OE1-NH2 3.52Å; E162-R166 PolarHBondContact OE1-NH2 2.8Å; E162-Y195 HydrophobicContact CG-CE2 4.04Å; E162-Y195 VanDerWaalsContact CG-OH 3.23Å; E162-Y195 WeakPolarHBondContact CG-OH 3.48Å; E162-Y195 PolarHBondContact OE1-OH 3.11Å |
| 163 | Q | 96.9 | Very high | 89.2 | Confident | 142 Ų | 142 | 79.5 Ų | 79.5 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61 | -37.3 | -177.7 | -66 | -61.1 | -31.3 | 0 | 0 | 112.3 | Y161 H167 | Y161-Q163 VanDerWaalsContact C-N 3.32Å; Y161-Q163 PolarHBondContact O-N 2.99Å; Q163-H167 WeakPolarHBondContact O-CB 3.3Å; Q163-H167 PolarHBondContact O-N 2.9Å |
| 164 | K | 98.1 | Very high | 91.2 | Very high | 77 Ų | 77 | 72 Ų | 72 | 34% | 0.335 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -76 | -36.3 | 178.9 | -65.5 | -174.5 | 174.9 | -174.3 | 0 | 111.7 | Y161 E162 H167 F168 F180 Y186 L187 | Y161-K164 PolarHBondContact O-N 2.99Å; E162-K164 VanDerWaalsContact C-N 3.27Å; E162-K164 PolarHBondContact O-N 3.26Å; K164-H167 PolarHBondContact O-N 3.24Å; K164-F168 PolarHBondContact O-N 3.49Å; K164-F180 HydrophobicContact CB-CZ 4.24Å; K164-F180 WeakPolarHBondContact O-CE1 3.23Å; K164-F180 WeakPolarHBondContact O-CZ 3.36Å; K164-Y186 WeakPolarHBondContact CD-OH 3.31Å; K164-Y186 WeakPolarHBondContact CE-OH 3.4Å; K164-Y186 PolarHBondContact NZ-OH 3.26Å; K164-L187 HydrophobicContact CB-CD1 3.9Å; K164-L187 HydrophobicContact CB-CD2 4.35Å |
| 165 | I | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -46.4 | 173.1 | -63.9 | 167.9 | 0 | 0 | 0 | 110 | F157 Y161 E162 H167 F168 G169 L187 T192 Y195 L196 | F157-I165 HydrophobicContact CE1-CD1 4.25Å; Y161-I165 WeakPolarHBondContact O-CG1 3.11Å; Y161-I165 PolarHBondContact O-N 3.04Å; E162-I165 PolarHBondContact O-N 3.49Å; I165-H167 VanDerWaalsContact C-N 3.34Å; I165-H167 PolarHBondContact O-N 3.37Å; I165-F168 WeakPolarHBondContact O-CB 3.42Å; I165-F168 PolarHBondContact O-N 3.49Å; I165-G169 PolarHBondContact O-N 3.49Å; I165-L187 HydrophobicContact CG1-CD2 3.91Å; I165-T192 HydrophobicContact CG1-CG2 4.14Å; I165-T192 HydrophobicContact CG2-CG2 3.98Å; I165-Y195 HydrophobicContact CB-CD1 4.28Å; I165-Y195 HydrophobicContact CD1-CG 4.47Å; I165-Y195 HydrophobicContact CG2-CD1 3.29Å; I165-Y195 HydrophobicContact CG2-CE1 3.9Å; I165-Y195 HydrophobicContact CG2-CG 3.89Å; I165-L196 HydrophobicContact CG2-CD2 3.9Å; I165-L196 HydrophobicContact CG2-CG 4.1Å |
| 166 | R | 97.4 | Very high | 94.7 | Very high | 96 Ų | 96 | 68.1 Ų | 68.1 | 36% | 0.362 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.8 | -72.1 | -172.1 | -176 | -167.4 | 4.6 | 111.8 | E162 F168 G169 M170 Y195 W199 | E162-R166 HydrophobicContact CG-CG 4.43Å; E162-R166 WeakPolarHBondContact O-CG 3.13Å; E162-R166 PolarHBondContact O-N 3.32Å; E162-R166 IonicContact OE1-CZ 3.39Å; E162-R166 VanDerWaalsContact OE1-CZ 3.31Å; E162-R166 IonicContact OE1-NE 2.84Å; E162-R166 PolarHBondContact OE1-NE 3.33Å; E162-R166 IonicContact OE1-NH2 3.52Å; E162-R166 PolarHBondContact OE1-NH2 2.8Å; R166-F168 PolarHBondContact O-N 2.91Å; R166-G169 PolarHBondContact O-N 2.87Å; R166-G169 VanDerWaalsContact O-N 3.17Å; R166-M170 WeakPolarHBondContact O-CG 3.24Å; R166-M170 PolarHBondContact O-N 3.26Å; R166-M170 VanDerWaalsContact O-N 3.15Å; R166-Y195 HydrophobicContact CG-CE1 4.06Å; R166-Y195 PolarHBondContact NE-OH 3.41Å; R166-Y195 PolarHBondContact NH2-OH 3.25Å; R166-W199 HydrophobicContact CB-CH2 3.84Å; R166-W199 HydrophobicContact CB-CZ3 3.94Å; R166-W199 HydrophobicContact CG-CE3 4.27Å; R166-W199 HydrophobicContact CG-CH2 3.8Å; R166-W199 HydrophobicContact CG-CZ2 4.2Å; R166-W199 HydrophobicContact CG-CZ3 3.85Å |
| 167 | H | 98.3 | Very high | 95.3 | Very high | 97 Ų | 97 | 65.5 Ų | 65.5 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 175.9 | -175.5 | 86.4 | 0 | 0 | 0 | 111.7 | Q163 K164 I165 G169 M170 F180 | Q163-H167 WeakPolarHBondContact O-CB 3.3Å; Q163-H167 PolarHBondContact O-N 2.9Å; K164-H167 PolarHBondContact O-N 3.24Å; I165-H167 VanDerWaalsContact C-N 3.34Å; I165-H167 PolarHBondContact O-N 3.37Å; H167-G169 VanDerWaalsContact C-N 3.3Å; H167-G169 PolarHBondContact O-N 2.96Å; H167-M170 PolarHBondContact O-N 2.91Å; H167-M170 VanDerWaalsContact O-N 3.12Å; H167-F180 HydrophobicContact CB-CE2 4.43Å; H167-F180 HydrophobicContact CB-CZ 4.1Å; H167-F180 AromaticContact CD2-CD2 3.52Å; H167-F180 AromaticContact CD2-CE2 3.1Å; H167-F180 WeakPolarHBondContact CD2-CE2 3.48Å; H167-F180 AromaticContact CD2-CZ 3.53Å; H167-F180 AromaticContact CG-CE2 3.96Å; H167-F180 AromaticContact NE2-CD2 3.9Å; H167-F180 AromaticContact NE2-CE2 3.8Å |
| 168 | F | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 174.5 | 174.7 | -106.5 | 0 | 0 | 0 | 111.8 | K164 I165 R166 M170 L171 F180 L181 L196 Q218 V221 M222 | K164-F168 PolarHBondContact O-N 3.49Å; I165-F168 WeakPolarHBondContact O-CB 3.42Å; I165-F168 PolarHBondContact O-N 3.49Å; R166-F168 PolarHBondContact O-N 2.91Å; F168-M170 PolarHBondContact O-N 2.7Å; F168-L171 HydrophobicContact CD2-CD1 4.27Å; F168-L171 WeakPolarHBondContact O-CB 3.33Å; F168-L171 PolarHBondContact O-N 2.8Å; F168-F180 HydrophobicContact CB-CD1 3.89Å; F168-F180 HydrophobicContact CB-CE1 3.66Å; F168-F180 AromaticContact CD2-CD1 3.97Å; F168-F180 HydrophobicContact CD2-CD1 3.97Å; F168-F180 HydrophobicContact CG-CD1 4.39Å; F168-L181 HydrophobicContact CD2-CD1 4.46Å; F168-L181 HydrophobicContact CD2-CD2 3.82Å; F168-L181 HydrophobicContact CD2-CG 4.02Å; F168-L181 HydrophobicContact CE2-CD1 3.63Å; F168-L181 HydrophobicContact CE2-CD2 3.8Å; F168-L181 HydrophobicContact CE2-CG 3.67Å; F168-L181 HydrophobicContact CG-CD2 4.4Å; F168-L181 HydrophobicContact CZ-CD1 3.99Å; F168-L181 HydrophobicContact CZ-CD2 4.37Å; F168-L181 HydrophobicContact CZ-CG 4.42Å; F168-L196 HydrophobicContact CD1-CD1 3.8Å; F168-L196 HydrophobicContact CE1-CD1 3.84Å; F168-Q218 HydrophobicContact CD1-CB 4.26Å; F168-Q218 HydrophobicContact CE1-CB 3.87Å; F168-Q218 HydrophobicContact CZ-CB 4.33Å; F168-Q218 VanDerWaalsContact CZ-OE1 3.26Å; F168-Q218 WeakPolarHBondContact O-CG 3.41Å; F168-V221 HydrophobicContact CZ-CG1 4.2Å; F168-M222 HydrophobicContact CD1-CE 4.36Å; F168-M222 HydrophobicContact CE1-CB 4.41Å; F168-M222 HydrophobicContact CE1-CE 3.8Å; F168-M222 HydrophobicContact CZ-CE 4.01Å |
| 169 | G | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.1 | -28.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I165 R166 H167 I215 | I165-G169 PolarHBondContact O-N 3.49Å; R166-G169 PolarHBondContact O-N 2.87Å; R166-G169 VanDerWaalsContact O-N 3.17Å; H167-G169 VanDerWaalsContact C-N 3.3Å; H167-G169 PolarHBondContact O-N 2.96Å; G169-I215 VanDerWaalsContact C-CD1 3.46Å; G169-I215 WeakPolarHBondContact O-CD1 3.4Å |
| 170 | M | 97.9 | Very high | 96.9 | Very high | 92 Ų | 92 | 65.4 Ų | 65.4 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -80.8 | -14.4 | 179.1 | -66.7 | -59.8 | -58.7 | 0 | 0 | 114 | R166 H167 F168 W199 L211 Q214 I215 | R166-M170 WeakPolarHBondContact O-CG 3.24Å; R166-M170 PolarHBondContact O-N 3.26Å; R166-M170 VanDerWaalsContact O-N 3.15Å; H167-M170 PolarHBondContact O-N 2.91Å; H167-M170 VanDerWaalsContact O-N 3.12Å; F168-M170 PolarHBondContact O-N 2.7Å; M170-W199 HydrophobicContact SD-CH2 4.34Å; M170-L211 HydrophobicContact CE-CD1 3.91Å; M170-L211 HydrophobicContact SD-CD1 3.66Å; M170-Q214 PolarHBondContact O-NE2 3.39Å; M170-I215 HydrophobicContact SD-CD1 3.77Å |
| 171 | L | 98 | Very high | 97.2 | Very high | 26 Ų | 26 | 61.3 Ų | 61.3 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | trans | -71.5 | 157 | 179.7 | -58.8 | 176.8 | 0 | 0 | 0 | 110.9 | F168 D176 F180 Q218 | F168-L171 HydrophobicContact CD2-CD1 4.27Å; F168-L171 WeakPolarHBondContact O-CB 3.33Å; F168-L171 PolarHBondContact O-N 2.8Å; L171-D176 HydrophobicContact CD2-CB 4.46Å; L171-F180 HydrophobicContact CD1-CB 3.69Å; L171-F180 HydrophobicContact CD1-CD1 4.31Å; L171-F180 HydrophobicContact CD1-CG 3.93Å; L171-Q218 VanDerWaalsContact C-NE2 3.32Å; L171-Q218 VanDerWaalsContact O-CD 3.31Å; L171-Q218 WeakPolarHBondContact O-CG 3.36Å; L171-Q218 PolarHBondContact O-NE2 3Å | ||
| 172 | S | 94.1 | Very high | 97.4 | Very high | 64 Ų | 64 | 60.8 Ų | 60.8 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | trans | -134.5 | -37.7 | 175.7 | 61 | 0 | 0 | 0 | 0 | 113 | ||||
| 173 | R | 96.1 | Very high | 97.6 | Very high | 149 Ų | 149 | 62.8 Ų | 62.8 | 56% | 0.562 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -75 | 134.2 | -177.9 | -63.7 | 177.5 | 64.1 | -150.3 | 4.6 | 111.2 | D175 D176 S177 | R173-D175 VanDerWaalsContact C-N 3.31Å; R173-D175 PolarHBondContact O-N 2.84Å; R173-D176 HydrophobicContact CB-CB 4.21Å; R173-D176 WeakPolarHBondContact CB-OD2 3.2Å; R173-D176 WeakPolarHBondContact CD-OD2 3.41Å; R173-D176 IonicContact CZ-OD2 3.97Å; R173-D176 IonicContact NE-OD2 3.34Å; R173-D176 IonicContact NH1-OD1 3.33Å; R173-D176 IonicContact NH1-OD2 2.96Å; R173-D176 PolarHBondContact NH1-OD2 3.34Å; R173-D176 PolarHBondContact O-N 2.97Å; R173-D176 VanDerWaalsContact O-N 3.12Å; R173-S177 PolarHBondContact O-N 3.18Å |
| 174 | W | 95.5 | Very high | 97.6 | Very high | 51 Ų | 51 | 58 Ų | 58 | 19% | 0.193 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.1 | -42.1 | -179.9 | -57.9 | 129.4 | 0 | 0 | 0 | 113.8 | Q178 H217 V221 F243 F244 K248 F255 F258 | W174-Q178 VanDerWaalsContact O-CB 3.23Å; W174-Q178 WeakPolarHBondContact O-CB 3.42Å; W174-Q178 PolarHBondContact O-N 3.41Å; W174-H217 AromaticContact CH2-CE1 3.27Å; W174-H217 WeakPolarHBondContact CH2-CE1 3.48Å; W174-H217 AromaticContact CH2-NE2 3.23Å; W174-H217 WeakPolarHBondContact CH2-NE2 3.46Å; W174-H217 AromaticContact CZ2-NE2 3.72Å; W174-H217 AromaticContact CZ3-CE1 3.47Å; W174-H217 VanDerWaalsContact CZ3-CE1 3.47Å; W174-H217 WeakPolarHBondContact CZ3-CE1 3.4Å; W174-H217 AromaticContact CZ3-NE2 3.94Å; W174-V221 HydrophobicContact CH2-CG2 4.05Å; W174-V221 HydrophobicContact CZ3-CG2 3.52Å; W174-F243 HydrophobicContact CZ3-CE1 4.09Å; W174-F243 HydrophobicContact CZ3-CZ 4.38Å; W174-F244 HydrophobicContact CB-CD1 4.24Å; W174-F244 AromaticContact CE3-CD1 3.89Å; W174-F244 HydrophobicContact CE3-CD1 3.89Å; W174-F244 AromaticContact CE3-CE1 3.88Å; W174-F244 HydrophobicContact CE3-CE1 3.88Å; W174-F244 HydrophobicContact CZ3-CE1 4.44Å; W174-K248 HydrophobicContact CB-CD 4.41Å; W174-K248 HydrophobicContact CB-CG 4.03Å; W174-K248 HydrophobicContact CG-CG 4.27Å; W174-F255 HydrophobicContact CZ2-CE2 4.27Å; W174-F258 AromaticContact CH2-CE1 3.94Å; W174-F258 HydrophobicContact CH2-CE1 3.94Å; W174-F258 AromaticContact CH2-CZ 3.85Å; W174-F258 HydrophobicContact CH2-CZ 3.85Å; W174-F258 HydrophobicContact CZ2-CE1 4.49Å |
| 175 | D | 96.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 56.9 Ų | 56.9 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 178.5 | -65.3 | -46.9 | 0 | 0 | 0 | 112.1 | R173 R179 K248 | R173-D175 VanDerWaalsContact C-N 3.31Å; R173-D175 PolarHBondContact O-N 2.84Å; D175-R179 WeakPolarHBondContact O-CB 3.38Å; D175-R179 PolarHBondContact O-N 3.01Å; D175-K248 VanDerWaalsContact OD1-CE 3.31Å; D175-K248 WeakPolarHBondContact OD1-CE 3.36Å; D175-K248 IonicContact OD1-NZ 2.78Å; D175-K248 PolarHBondContact OD1-NZ 3.14Å |
| 176 | D | 97.9 | Very high | 97.4 | Very high | 63 Ų | 63 | 59.7 Ų | 59.7 | 34% | 0.337 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70 | -45.7 | -178.4 | -61.5 | -22.8 | 0 | 0 | 0 | 110.2 | L171 R173 Q178 R179 F180 | L171-D176 HydrophobicContact CD2-CB 4.46Å; R173-D176 HydrophobicContact CB-CB 4.21Å; R173-D176 WeakPolarHBondContact CB-OD2 3.2Å; R173-D176 WeakPolarHBondContact CD-OD2 3.41Å; R173-D176 IonicContact CZ-OD2 3.97Å; R173-D176 IonicContact NE-OD2 3.34Å; R173-D176 IonicContact NH1-OD1 3.33Å; R173-D176 IonicContact NH1-OD2 2.96Å; R173-D176 PolarHBondContact NH1-OD2 3.34Å; R173-D176 PolarHBondContact O-N 2.97Å; R173-D176 VanDerWaalsContact O-N 3.12Å; D176-Q178 PolarHBondContact O-N 3.29Å; D176-R179 PolarHBondContact O-N 3.4Å; D176-F180 VanDerWaalsContact O-CB 3.3Å; D176-F180 WeakPolarHBondContact O-CB 3.3Å; D176-F180 PolarHBondContact O-N 2.88Å |
| 177 | S | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 174.2 | -68.9 | 0 | 0 | 0 | 0 | 112 | R173 R179 F180 L181 Q218 | R173-S177 PolarHBondContact O-N 3.18Å; S177-R179 PolarHBondContact O-N 3.2Å; S177-F180 PolarHBondContact O-N 3.44Å; S177-L181 WeakPolarHBondContact O-CG 3.07Å; S177-L181 PolarHBondContact O-N 2.99Å; S177-Q218 PolarHBondContact OG-NE2 3.17Å; S177-Q218 PolarHBondContact OG-OE1 3.14Å; S177-Q218 VanDerWaalsContact OG-OE1 3.06Å |
| 178 | Q | 98.1 | Very high | 97.4 | Very high | 42 Ų | 42 | 50.5 Ų | 50.5 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 179.6 | -175.3 | -178 | -16.1 | 0 | 0 | 112.1 | W174 D176 S182 F240 F244 | W174-Q178 VanDerWaalsContact O-CB 3.23Å; W174-Q178 WeakPolarHBondContact O-CB 3.42Å; W174-Q178 PolarHBondContact O-N 3.41Å; D176-Q178 PolarHBondContact O-N 3.29Å; Q178-S182 WeakPolarHBondContact O-CB 3.47Å; Q178-S182 PolarHBondContact O-N 3.06Å; Q178-S182 PolarHBondContact O-OG 2.99Å; Q178-F240 HydrophobicContact CG-CE2 4.41Å; Q178-F244 HydrophobicContact CB-CB 4.16Å; Q178-F244 HydrophobicContact CB-CD1 4.1Å; Q178-F244 HydrophobicContact CB-CD2 3.72Å; Q178-F244 HydrophobicContact CB-CE1 4.46Å; Q178-F244 HydrophobicContact CB-CE2 4.13Å; Q178-F244 HydrophobicContact CB-CG 3.72Å; Q178-F244 HydrophobicContact CB-CZ 4.48Å; Q178-F244 HydrophobicContact CG-CB 4.16Å; Q178-F244 HydrophobicContact CG-CD2 3.8Å; Q178-F244 HydrophobicContact CG-CE2 4.49Å; Q178-F244 HydrophobicContact CG-CG 4.04Å; Q178-F244 VanDerWaalsContact OE1-CB 3.28Å |
| 179 | R | 98.3 | Very high | 97.3 | Very high | 175 Ų | 175 | 51 Ų | 51 | 66% | 0.66 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.2 | -47.4 | 176.6 | -177.2 | 175.5 | -178.8 | 157.9 | 1.4 | 110.8 | D175 D176 S177 L181 S182 D183 | D175-R179 WeakPolarHBondContact O-CB 3.38Å; D175-R179 PolarHBondContact O-N 3.01Å; D176-R179 PolarHBondContact O-N 3.4Å; S177-R179 PolarHBondContact O-N 3.2Å; R179-L181 VanDerWaalsContact C-N 3.34Å; R179-L181 PolarHBondContact O-N 2.96Å; R179-S182 WeakPolarHBondContact O-CA 3.27Å; R179-S182 VanDerWaalsContact O-CB 3.31Å; R179-S182 WeakPolarHBondContact O-CB 3.5Å; R179-S182 PolarHBondContact O-N 3.36Å; R179-D183 PolarHBondContact O-N 3.3Å |
| 180 | F | 98.5 | Very high | 97.1 | Very high | 23 Ų | 23 | 56.4 Ų | 56.4 | 10% | 0.101 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 178.9 | -173.2 | -97.6 | 0 | 0 | 0 | 112.4 | K164 H167 F168 L171 D176 S177 S182 D183 H184 L187 | K164-F180 HydrophobicContact CB-CZ 4.24Å; K164-F180 WeakPolarHBondContact O-CE1 3.23Å; K164-F180 WeakPolarHBondContact O-CZ 3.36Å; H167-F180 HydrophobicContact CB-CE2 4.43Å; H167-F180 HydrophobicContact CB-CZ 4.1Å; H167-F180 AromaticContact CD2-CD2 3.52Å; H167-F180 AromaticContact CD2-CE2 3.1Å; H167-F180 WeakPolarHBondContact CD2-CE2 3.48Å; H167-F180 AromaticContact CD2-CZ 3.53Å; H167-F180 AromaticContact CG-CE2 3.96Å; H167-F180 AromaticContact NE2-CD2 3.9Å; H167-F180 AromaticContact NE2-CE2 3.8Å; F168-F180 HydrophobicContact CB-CD1 3.89Å; F168-F180 HydrophobicContact CB-CE1 3.66Å; F168-F180 AromaticContact CD2-CD1 3.97Å; F168-F180 HydrophobicContact CD2-CD1 3.97Å; F168-F180 HydrophobicContact CG-CD1 4.39Å; L171-F180 HydrophobicContact CD1-CB 3.69Å; L171-F180 HydrophobicContact CD1-CD1 4.31Å; L171-F180 HydrophobicContact CD1-CG 3.93Å; D176-F180 VanDerWaalsContact O-CB 3.3Å; D176-F180 WeakPolarHBondContact O-CB 3.3Å; D176-F180 PolarHBondContact O-N 2.88Å; S177-F180 PolarHBondContact O-N 3.44Å; F180-S182 VanDerWaalsContact C-N 3.29Å; F180-S182 PolarHBondContact O-N 3.03Å; F180-D183 PolarHBondContact O-N 3.28Å; F180-H184 AromaticContact CD2-CD2 3.91Å; F180-H184 AromaticContact CE1-CD2 3.89Å; F180-H184 AromaticContact CE2-CD2 3.43Å; F180-H184 VanDerWaalsContact CE2-CD2 3.43Å; F180-H184 WeakPolarHBondContact CE2-CD2 3.44Å; F180-H184 AromaticContact CE2-NE2 3.81Å; F180-H184 AromaticContact CZ-CD2 3.45Å; F180-H184 VanDerWaalsContact CZ-CD2 3.45Å; F180-H184 WeakPolarHBondContact CZ-CD2 3.09Å; F180-H184 PolarHBondContact O-N 2.88Å; F180-L187 HydrophobicContact CD1-CD1 4.37Å; F180-L187 HydrophobicContact CE1-CD1 3.51Å; F180-L187 HydrophobicContact CZ-CD1 4.17Å |
| 181 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.9 | -25.6 | 175.5 | -66.2 | 179.4 | 0 | 0 | 0 | 113 | F168 S177 R179 H184 P185 L187 V188 M222 I225 F240 F244 | F168-L181 HydrophobicContact CD2-CD1 4.46Å; F168-L181 HydrophobicContact CD2-CD2 3.82Å; F168-L181 HydrophobicContact CD2-CG 4.02Å; F168-L181 HydrophobicContact CE2-CD1 3.63Å; F168-L181 HydrophobicContact CE2-CD2 3.8Å; F168-L181 HydrophobicContact CE2-CG 3.67Å; F168-L181 HydrophobicContact CG-CD2 4.4Å; F168-L181 HydrophobicContact CZ-CD1 3.99Å; F168-L181 HydrophobicContact CZ-CD2 4.37Å; F168-L181 HydrophobicContact CZ-CG 4.42Å; S177-L181 WeakPolarHBondContact O-CG 3.07Å; S177-L181 PolarHBondContact O-N 2.99Å; R179-L181 VanDerWaalsContact C-N 3.34Å; R179-L181 PolarHBondContact O-N 2.96Å; L181-H184 CarbonylContact O-C 3.54Å; L181-H184 VanDerWaalsContact O-C 3.23Å; L181-P185 VanDerWaalsContact O-CA 3.27Å; L181-P185 WeakPolarHBondContact O-CA 3.47Å; L181-P185 VanDerWaalsContact O-N 3.14Å; L181-L187 HydrophobicContact CD2-CB 4.21Å; L181-V188 HydrophobicContact CB-CG2 4Å; L181-V188 HydrophobicContact CD1-CG2 4.17Å; L181-V188 HydrophobicContact CD2-CG2 3.9Å; L181-V188 HydrophobicContact CG-CG2 4.23Å; L181-M222 HydrophobicContact CD1-CE 4.25Å; L181-M222 HydrophobicContact CD2-CE 3.91Å; L181-I225 HydrophobicContact CD1-CD1 4.08Å; L181-F240 HydrophobicContact CB-CD2 4.03Å; L181-F240 HydrophobicContact CB-CE2 3.69Å; L181-F240 HydrophobicContact CB-CZ 4.28Å; L181-F240 HydrophobicContact CD1-CD2 4.27Å; L181-F244 HydrophobicContact CD1-CE2 3.93Å; L181-F244 HydrophobicContact CD1-CZ 4.01Å |
| 182 | S | 97.9 | Very high | 96.9 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 171.2 | -63.1 | 0 | 0 | 0 | 0 | 112 | Q178 R179 F180 H184 P185 R241 | Q178-S182 WeakPolarHBondContact O-CB 3.47Å; Q178-S182 PolarHBondContact O-N 3.06Å; Q178-S182 PolarHBondContact O-OG 2.99Å; R179-S182 WeakPolarHBondContact O-CA 3.27Å; R179-S182 VanDerWaalsContact O-CB 3.31Å; R179-S182 WeakPolarHBondContact O-CB 3.5Å; R179-S182 PolarHBondContact O-N 3.36Å; F180-S182 VanDerWaalsContact C-N 3.29Å; F180-S182 PolarHBondContact O-N 3.03Å; S182-H184 VanDerWaalsContact C-N 3.34Å; S182-P185 WeakPolarHBondContact O-CD 3.38Å; S182-P185 WeakPolarHBondContact O-CG 3.32Å; S182-R241 PolarHBondContact OG-NE 3.05Å; S182-R241 PolarHBondContact OG-NH2 3.4Å |
| 183 | D | 97.9 | Very high | 97.1 | Very high | 101 Ų | 101 | 51.3 Ų | 51.3 | 54% | 0.54 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -76.3 | -25 | 176.8 | -64.2 | -21.4 | 0 | 0 | 0 | 111.8 | R179 F180 | R179-D183 PolarHBondContact O-N 3.3Å; F180-D183 PolarHBondContact O-N 3.28Å |
| 184 | H | 97.5 | Very high | 97 | Very high | 41 Ų | 41 | 49 Ų | 49 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | trans | -129.7 | 66.1 | 178.4 | -56.9 | -42.6 | 0 | 0 | 0 | 113.4 | F180 L181 S182 Y186 L187 | F180-H184 AromaticContact CD2-CD2 3.91Å; F180-H184 AromaticContact CE1-CD2 3.89Å; F180-H184 AromaticContact CE2-CD2 3.43Å; F180-H184 VanDerWaalsContact CE2-CD2 3.43Å; F180-H184 WeakPolarHBondContact CE2-CD2 3.44Å; F180-H184 AromaticContact CE2-NE2 3.81Å; F180-H184 AromaticContact CZ-CD2 3.45Å; F180-H184 VanDerWaalsContact CZ-CD2 3.45Å; F180-H184 WeakPolarHBondContact CZ-CD2 3.09Å; F180-H184 PolarHBondContact O-N 2.88Å; L181-H184 CarbonylContact O-C 3.54Å; L181-H184 VanDerWaalsContact O-C 3.23Å; S182-H184 VanDerWaalsContact C-N 3.34Å; H184-Y186 HydrophobicContact CB-CE1 4.06Å; H184-Y186 PolarHBondContact ND1-OH 3.31Å; H184-Y186 PolarHBondContact O-N 3Å; H184-Y186 VanDerWaalsContact O-N 3.13Å; H184-L187 HydrophobicContact CB-CD1 3.59Å; H184-L187 HydrophobicContact CB-CG 3.95Å; H184-L187 WeakPolarHBondContact O-CB 3.37Å; H184-L187 PolarHBondContact O-N 3.44Å; H184-L187 VanDerWaalsContact O-N 3.07Å | ||
| 185 | P | 96.8 | Very high | 97 | Very high | 53 Ų | 53 | 48 Ų | 48 | 34% | 0.344 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -62.2 | -26.4 | -174.4 | -23.8 | 34.3 | 0 | 0 | 0 | 114.5 | L181 S182 L187 V188 R237 | L181-P185 VanDerWaalsContact O-CA 3.27Å; L181-P185 WeakPolarHBondContact O-CA 3.47Å; L181-P185 VanDerWaalsContact O-N 3.14Å; S182-P185 WeakPolarHBondContact O-CD 3.38Å; S182-P185 WeakPolarHBondContact O-CG 3.32Å; P185-L187 PolarHBondContact O-N 2.95Å; P185-V188 WeakPolarHBondContact O-CB 3.08Å; P185-V188 PolarHBondContact O-N 2.85Å; P185-V188 VanDerWaalsContact O-N 3.11Å; P185-R237 WeakPolarHBondContact O-CG 3.47Å |
| 186 | Y | 95.2 | Very high | 97.1 | Very high | 60 Ų | 60 | 44 Ų | 44 | 24% | 0.235 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -67.2 | -15.7 | 178.7 | 58.1 | -95.1 | 0 | 0 | 0 | 113.3 | F157 Y161 K164 H184 V188 | F157-Y186 WeakPolarHBondContact CZ-O 3.28Å; Y161-Y186 HydrophobicContact CD1-CD2 4.23Å; Y161-Y186 AromaticContact CD1-CE2 3.49Å; Y161-Y186 HydrophobicContact CD1-CE2 3.49Å; Y161-Y186 VanDerWaalsContact CD1-CE2 3.49Å; Y161-Y186 HydrophobicContact CD2-CD2 4.22Å; Y161-Y186 HydrophobicContact CD2-CE2 4.24Å; Y161-Y186 HydrophobicContact CE1-CD2 4.11Å; Y161-Y186 AromaticContact CE1-CE2 3.58Å; Y161-Y186 HydrophobicContact CE1-CE2 3.58Å; Y161-Y186 HydrophobicContact CE2-CD2 4.1Å; Y161-Y186 HydrophobicContact CE2-CE2 4.31Å; Y161-Y186 HydrophobicContact CG-CD2 4.27Å; Y161-Y186 AromaticContact CG-CE2 3.83Å; Y161-Y186 HydrophobicContact CG-CE2 3.83Å; Y161-Y186 AromaticContact CZ-CE2 3.99Å; K164-Y186 WeakPolarHBondContact CD-OH 3.31Å; K164-Y186 WeakPolarHBondContact CE-OH 3.4Å; K164-Y186 PolarHBondContact NZ-OH 3.26Å; H184-Y186 HydrophobicContact CB-CE1 4.06Å; H184-Y186 PolarHBondContact ND1-OH 3.31Å; H184-Y186 PolarHBondContact O-N 3Å; H184-Y186 VanDerWaalsContact O-N 3.13Å; Y186-V188 VanDerWaalsContact C-N 3.25Å |
| 187 | L | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -76.1 | -14.8 | 173.5 | -61.8 | 178.3 | 0 | 0 | 0 | 112.7 | Y161 K164 I165 F180 L181 H184 P185 C189 T192 M222 | Y161-L187 HydrophobicContact CG-CD2 4.43Å; K164-L187 HydrophobicContact CB-CD1 3.9Å; K164-L187 HydrophobicContact CB-CD2 4.35Å; I165-L187 HydrophobicContact CG1-CD2 3.91Å; F180-L187 HydrophobicContact CD1-CD1 4.37Å; F180-L187 HydrophobicContact CE1-CD1 3.51Å; F180-L187 HydrophobicContact CZ-CD1 4.17Å; L181-L187 HydrophobicContact CD2-CB 4.21Å; H184-L187 HydrophobicContact CB-CD1 3.59Å; H184-L187 HydrophobicContact CB-CG 3.95Å; H184-L187 WeakPolarHBondContact O-CB 3.37Å; H184-L187 PolarHBondContact O-N 3.44Å; H184-L187 VanDerWaalsContact O-N 3.07Å; P185-L187 PolarHBondContact O-N 2.95Å; L187-C189 VanDerWaalsContact C-N 3.26Å; L187-C189 PolarHBondContact O-N 2.95Å; L187-T192 WeakPolarHBondContact O-CB 3.41Å; L187-T192 WeakPolarHBondContact O-CG2 3.28Å; L187-T192 PolarHBondContact O-OG1 2.95Å; L187-M222 WeakPolarHBondContact O-CE 3.42Å |
| 188 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -80.6 | 76.8 | 177.8 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | L181 P185 Y186 M222 I225 M226 P236 R237 F240 | L181-V188 HydrophobicContact CB-CG2 4Å; L181-V188 HydrophobicContact CD1-CG2 4.17Å; L181-V188 HydrophobicContact CD2-CG2 3.9Å; L181-V188 HydrophobicContact CG-CG2 4.23Å; P185-V188 WeakPolarHBondContact O-CB 3.08Å; P185-V188 PolarHBondContact O-N 2.85Å; P185-V188 VanDerWaalsContact O-N 3.11Å; Y186-V188 VanDerWaalsContact C-N 3.25Å; V188-M222 HydrophobicContact CG1-SD 4.37Å; V188-I225 HydrophobicContact CG1-CG2 3.79Å; V188-M226 HydrophobicContact CG1-CE 3.78Å; V188-P236 HydrophobicContact CG1-CB 3.92Å; V188-P236 HydrophobicContact CG1-CG 4.49Å; V188-R237 HydrophobicContact CB-CG 4.13Å; V188-F240 HydrophobicContact CG1-CB 4.09Å; V188-F240 HydrophobicContact CG2-CD1 4.33Å; V188-F240 HydrophobicContact CG2-CG 4.33Å |
| 189 | C | 95.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -152.8 | 170.3 | -178.3 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | F157 L187 E191 T192 A193 | F157-C189 VanDerWaalsContact CE1-SG 3.54Å; F157-C189 WeakPolarHBondContact CZ-SG 3.23Å; L187-C189 VanDerWaalsContact C-N 3.26Å; L187-C189 PolarHBondContact O-N 2.95Å; C189-E191 VanDerWaalsContact C-N 3.34Å; C189-E191 WeakPolarHBondContact CB-OE2 3.46Å; C189-E191 PolarHBondContact O-N 3.31Å; C189-E191 PolarHBondContact SG-OE2 3.04Å; C189-T192 PolarHBondContact O-N 3.41Å; C189-T192 PolarHBondContact SG-OG1 3.47Å; C189-A193 PolarHBondContact O-N 3.16Å |
| 190 | E | 94.9 | Very high | 96.6 | Very high | 113 Ų | 113 | 39.9 Ų | 39.9 | 53% | 0.528 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.5 | -34.6 | -179.3 | -67.5 | -171.4 | -175.8 | 0 | 0 | 113.1 | T192 A193 K194 M226 | E190-T192 VanDerWaalsContact C-N 3.28Å; E190-T192 PolarHBondContact O-N 2.96Å; E190-A193 WeakPolarHBondContact O-CB 3.42Å; E190-A193 PolarHBondContact O-N 3.33Å; E190-K194 VanDerWaalsContact O-CG 3.3Å; E190-K194 WeakPolarHBondContact O-CG 3.48Å; E190-K194 PolarHBondContact O-N 3.33Å; E190-K194 IonicContact OE2-NZ 2.67Å; E190-K194 PolarHBondContact OE2-NZ 3.47Å; E190-M226 HydrophobicContact CG-SD 4.32Å |
| 191 | E | 95.1 | Very high | 96.2 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 34% | 0.341 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.7 | -39.7 | -178.8 | -65.9 | 66.2 | -142.9 | 0 | 0 | 110.9 | F157 C189 K194 Y195 | F157-E191 HydrophobicContact CD1-CB 3.53Å; F157-E191 HydrophobicContact CD1-CG 4.16Å; F157-E191 HydrophobicContact CE1-CB 3.92Å; F157-E191 HydrophobicContact CG-CB 4.31Å; F157-E191 HydrophobicContact CG-CG 4.47Å; C189-E191 VanDerWaalsContact C-N 3.34Å; C189-E191 WeakPolarHBondContact CB-OE2 3.46Å; C189-E191 PolarHBondContact O-N 3.31Å; C189-E191 PolarHBondContact SG-OE2 3.04Å; E191-K194 PolarHBondContact O-N 3.41Å; E191-Y195 WeakPolarHBondContact O-CB 3.42Å; E191-Y195 PolarHBondContact O-N 2.89Å |
| 192 | T | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 174.7 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | I165 L187 C189 E190 K194 Y195 L196 M222 | I165-T192 HydrophobicContact CG1-CG2 4.14Å; I165-T192 HydrophobicContact CG2-CG2 3.98Å; L187-T192 WeakPolarHBondContact O-CB 3.41Å; L187-T192 WeakPolarHBondContact O-CG2 3.28Å; L187-T192 PolarHBondContact O-OG1 2.95Å; C189-T192 PolarHBondContact O-N 3.41Å; C189-T192 PolarHBondContact SG-OG1 3.47Å; E190-T192 VanDerWaalsContact C-N 3.28Å; E190-T192 PolarHBondContact O-N 2.96Å; T192-K194 PolarHBondContact O-N 2.9Å; T192-Y195 PolarHBondContact O-N 2.77Å; T192-L196 HydrophobicContact CG2-CD1 4.14Å; T192-L196 VanDerWaalsContact O-CG 3.31Å; T192-L196 WeakPolarHBondContact O-CG 3.06Å; T192-L196 PolarHBondContact O-N 3.32Å; T192-M222 HydrophobicContact CG2-CE 3.88Å |
| 193 | A | 96.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | C189 E190 Y195 L196 I197 M222 | C189-A193 PolarHBondContact O-N 3.16Å; E190-A193 WeakPolarHBondContact O-CB 3.42Å; E190-A193 PolarHBondContact O-N 3.33Å; A193-Y195 PolarHBondContact O-N 3.27Å; A193-L196 PolarHBondContact O-N 3.45Å; A193-I197 VanDerWaalsContact O-CG1 3.3Å; A193-I197 WeakPolarHBondContact O-CG1 3.24Å; A193-I197 PolarHBondContact O-N 3.37Å; A193-M222 HydrophobicContact CB-CB 4.28Å; A193-M222 HydrophobicContact CB-CG 3.79Å |
| 194 | K | 94.6 | Very high | 95.4 | Very high | 102 Ų | 102 | 42.6 Ų | 42.6 | 44% | 0.443 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 177.5 | -70.9 | 165.5 | -169.5 | 157.7 | 0 | 111.6 | E190 E191 T192 I197 L198 | E190-K194 VanDerWaalsContact O-CG 3.3Å; E190-K194 WeakPolarHBondContact O-CG 3.48Å; E190-K194 PolarHBondContact O-N 3.33Å; E190-K194 IonicContact OE2-NZ 2.67Å; E190-K194 PolarHBondContact OE2-NZ 3.47Å; E191-K194 PolarHBondContact O-N 3.41Å; T192-K194 PolarHBondContact O-N 2.9Å; K194-I197 PolarHBondContact O-N 3.26Å; K194-L198 WeakPolarHBondContact O-CB 3.45Å; K194-L198 PolarHBondContact O-N 3.44Å |
| 195 | Y | 96.1 | Very high | 95 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.9 | -48.4 | 177.5 | -177.6 | -79.5 | 0 | 0 | 0 | 111.8 | M158 E162 I165 R166 E191 T192 A193 I197 L198 W199 | M158-Y195 HydrophobicContact CB-CD2 4.14Å; M158-Y195 HydrophobicContact CG-CD2 4.23Å; M158-Y195 HydrophobicContact SD-CD2 4.2Å; E162-Y195 HydrophobicContact CG-CE2 4.04Å; E162-Y195 VanDerWaalsContact CG-OH 3.23Å; E162-Y195 WeakPolarHBondContact CG-OH 3.48Å; E162-Y195 PolarHBondContact OE1-OH 3.11Å; I165-Y195 HydrophobicContact CB-CD1 4.28Å; I165-Y195 HydrophobicContact CD1-CG 4.47Å; I165-Y195 HydrophobicContact CG2-CD1 3.29Å; I165-Y195 HydrophobicContact CG2-CE1 3.9Å; I165-Y195 HydrophobicContact CG2-CG 3.89Å; R166-Y195 HydrophobicContact CG-CE1 4.06Å; R166-Y195 PolarHBondContact NE-OH 3.41Å; R166-Y195 PolarHBondContact NH2-OH 3.25Å; E191-Y195 WeakPolarHBondContact O-CB 3.42Å; E191-Y195 PolarHBondContact O-N 2.89Å; T192-Y195 PolarHBondContact O-N 2.77Å; A193-Y195 PolarHBondContact O-N 3.27Å; Y195-I197 VanDerWaalsContact C-N 3.33Å; Y195-I197 PolarHBondContact O-N 3.1Å; Y195-L198 PolarHBondContact O-N 2.96Å; Y195-W199 HydrophobicContact CE1-CB 4.33Å; Y195-W199 HydrophobicContact CE1-CD2 4.42Å; Y195-W199 HydrophobicContact CE1-CE3 4.23Å; Y195-W199 HydrophobicContact CE1-CG 4.5Å; Y195-W199 WeakPolarHBondContact O-CB 3.39Å; Y195-W199 PolarHBondContact O-N 2.79Å |
| 196 | L | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | -179.2 | -66 | 169.2 | 0 | 0 | 0 | 111.7 | I165 F168 T192 A193 W199 C200 I215 A219 M222 | I165-L196 HydrophobicContact CG2-CD2 3.9Å; I165-L196 HydrophobicContact CG2-CG 4.1Å; F168-L196 HydrophobicContact CD1-CD1 3.8Å; F168-L196 HydrophobicContact CE1-CD1 3.84Å; T192-L196 HydrophobicContact CG2-CD1 4.14Å; T192-L196 VanDerWaalsContact O-CG 3.31Å; T192-L196 WeakPolarHBondContact O-CG 3.06Å; T192-L196 PolarHBondContact O-N 3.32Å; A193-L196 PolarHBondContact O-N 3.45Å; L196-W199 HydrophobicContact CD2-CE3 4.18Å; L196-W199 PolarHBondContact O-N 2.88Å; L196-C200 PolarHBondContact O-N 3.39Å; L196-C200 PolarHBondContact O-SG 3.3Å; L196-I215 HydrophobicContact CB-CG2 4.47Å; L196-I215 HydrophobicContact CD2-CG2 4.06Å; L196-A219 HydrophobicContact CB-CB 3.76Å; L196-M222 HydrophobicContact CD1-CB 4.44Å |
| 197 | I | 95.7 | Very high | 94.7 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 175.5 | -69.7 | 166.5 | 0 | 0 | 0 | 110.7 | A193 K194 Y195 W199 C200 F201 A219 F265 | A193-I197 VanDerWaalsContact O-CG1 3.3Å; A193-I197 WeakPolarHBondContact O-CG1 3.24Å; A193-I197 PolarHBondContact O-N 3.37Å; K194-I197 PolarHBondContact O-N 3.26Å; Y195-I197 VanDerWaalsContact C-N 3.33Å; Y195-I197 PolarHBondContact O-N 3.1Å; I197-W199 VanDerWaalsContact C-N 3.27Å; I197-W199 PolarHBondContact O-N 3.39Å; I197-C200 WeakPolarHBondContact O-CB 3.44Å; I197-C200 PolarHBondContact O-N 3.05Å; I197-C200 VanDerWaalsContact O-N 3.16Å; I197-F201 HydrophobicContact CG2-CD2 4.08Å; I197-F201 HydrophobicContact CG2-CE2 3.71Å; I197-F201 VanDerWaalsContact O-CD2 3.23Å; I197-F201 WeakPolarHBondContact O-CD2 3.41Å; I197-F201 PolarHBondContact O-N 3.37Å; I197-A219 HydrophobicContact CG1-CB 4.27Å; I197-F265 HydrophobicContact CB-CE2 4.46Å; I197-F265 HydrophobicContact CB-CZ 4.29Å; I197-F265 HydrophobicContact CG1-CE2 4.05Å; I197-F265 HydrophobicContact CG1-CZ 3.99Å; I197-F265 HydrophobicContact CG2-CE2 3.96Å; I197-F265 HydrophobicContact CG2-CZ 4.13Å |
| 198 | L | 94.1 | Very high | 94.6 | Very high | 111 Ų | 111 | 56.3 Ų | 56.3 | 58% | 0.581 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.6 | -40.2 | 175.9 | -83.5 | 158.6 | 0 | 0 | 0 | 111.8 | K194 Y195 C200 F201 H202 | K194-L198 WeakPolarHBondContact O-CB 3.45Å; K194-L198 PolarHBondContact O-N 3.44Å; Y195-L198 PolarHBondContact O-N 2.96Å; L198-C200 VanDerWaalsContact C-N 3.33Å; L198-C200 PolarHBondContact O-N 3.15Å; L198-F201 PolarHBondContact O-N 2.78Å; L198-H202 PolarHBondContact O-N 2.98Å |
| 199 | W | 96.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.8 | -168.9 | 19.8 | 0 | 0 | 0 | 111.8 | R166 M170 Y195 L196 I197 F201 H202 L203 I215 | R166-W199 HydrophobicContact CB-CH2 3.84Å; R166-W199 HydrophobicContact CB-CZ3 3.94Å; R166-W199 HydrophobicContact CG-CE3 4.27Å; R166-W199 HydrophobicContact CG-CH2 3.8Å; R166-W199 HydrophobicContact CG-CZ2 4.2Å; R166-W199 HydrophobicContact CG-CZ3 3.85Å; M170-W199 HydrophobicContact SD-CH2 4.34Å; Y195-W199 HydrophobicContact CE1-CB 4.33Å; Y195-W199 HydrophobicContact CE1-CD2 4.42Å; Y195-W199 HydrophobicContact CE1-CE3 4.23Å; Y195-W199 HydrophobicContact CE1-CG 4.5Å; Y195-W199 WeakPolarHBondContact O-CB 3.39Å; Y195-W199 PolarHBondContact O-N 2.79Å; L196-W199 HydrophobicContact CD2-CE3 4.18Å; L196-W199 PolarHBondContact O-N 2.88Å; I197-W199 VanDerWaalsContact C-N 3.27Å; I197-W199 PolarHBondContact O-N 3.39Å; W199-F201 PolarHBondContact O-N 3.1Å; W199-H202 PolarHBondContact O-N 3.27Å; W199-L203 HydrophobicContact CD2-CD1 4.31Å; W199-L203 HydrophobicContact CG-CD1 4.26Å; W199-L203 HydrophobicContact CG-CG 4.5Å; W199-L203 WeakPolarHBondContact O-CB 3.35Å; W199-L203 VanDerWaalsContact O-CG 3.29Å; W199-L203 WeakPolarHBondContact O-CG 3.32Å; W199-L203 PolarHBondContact O-N 2.92Å; W199-I215 HydrophobicContact CD2-CG1 4.26Å; W199-I215 HydrophobicContact CD2-CG2 4.14Å; W199-I215 HydrophobicContact CE3-CB 4.43Å; W199-I215 HydrophobicContact CE3-CD1 4.06Å; W199-I215 HydrophobicContact CE3-CG1 3.94Å; W199-I215 HydrophobicContact CE3-CG2 3.55Å; W199-I215 HydrophobicContact CH2-CD1 3.63Å; W199-I215 HydrophobicContact CH2-CG1 4.11Å; W199-I215 HydrophobicContact CZ2-CD1 4.35Å; W199-I215 HydrophobicContact CZ2-CG1 4.43Å; W199-I215 HydrophobicContact CZ3-CD1 3.45Å; W199-I215 VanDerWaalsContact CZ3-CD1 3.45Å; W199-I215 HydrophobicContact CZ3-CG1 3.84Å; W199-I215 HydrophobicContact CZ3-CG2 4.05Å |
| 200 | C | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 173.6 | -65.2 | 0 | 0 | 0 | 0 | 112 | L196 I197 L198 H202 L203 E204 M212 A216 F265 V269 | L196-C200 PolarHBondContact O-N 3.39Å; L196-C200 PolarHBondContact O-SG 3.3Å; I197-C200 WeakPolarHBondContact O-CB 3.44Å; I197-C200 PolarHBondContact O-N 3.05Å; I197-C200 VanDerWaalsContact O-N 3.16Å; L198-C200 VanDerWaalsContact C-N 3.33Å; L198-C200 PolarHBondContact O-N 3.15Å; C200-H202 VanDerWaalsContact C-N 3.34Å; C200-H202 PolarHBondContact O-N 2.97Å; C200-L203 PolarHBondContact O-N 2.79Å; C200-E204 PolarHBondContact O-N 2.94Å; C200-M212 HydrophobicContact CB-CG 3.98Å; C200-M212 WeakPolarHBondContact O-CG 3.44Å; C200-A216 PolarHBondContact SG-N 3.09Å; C200-F265 HydrophobicContact CB-CE1 4.1Å; C200-F265 HydrophobicContact CB-CZ 4.02Å; C200-V269 HydrophobicContact CB-CG1 4.42Å; C200-V269 HydrophobicContact CB-CG2 4.21Å |
| 201 | F | 90.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 25% | 0.254 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 176 | -74.6 | -73.3 | 0 | 0 | 0 | 112.5 | I197 L198 W199 E204 A205 V269 Y272 | I197-F201 HydrophobicContact CG2-CD2 4.08Å; I197-F201 HydrophobicContact CG2-CE2 3.71Å; I197-F201 VanDerWaalsContact O-CD2 3.23Å; I197-F201 WeakPolarHBondContact O-CD2 3.41Å; I197-F201 PolarHBondContact O-N 3.37Å; L198-F201 PolarHBondContact O-N 2.78Å; W199-F201 PolarHBondContact O-N 3.1Å; F201-E204 PolarHBondContact O-N 3.43Å; F201-A205 WeakPolarHBondContact O-CB 3.33Å; F201-A205 PolarHBondContact O-N 3.01Å; F201-V269 HydrophobicContact CD1-CB 4.43Å; F201-V269 HydrophobicContact CD1-CG1 4.19Å; F201-V269 HydrophobicContact CD1-CG2 4.28Å; F201-V269 HydrophobicContact CE1-CB 4.3Å; F201-V269 HydrophobicContact CE1-CG2 4.01Å; F201-V269 HydrophobicContact CE2-CG2 4.34Å; F201-V269 HydrophobicContact CZ-CG2 4.04Å; F201-Y272 AromaticContact CD1-CD1 3.49Å; F201-Y272 HydrophobicContact CD1-CD1 3.49Å; F201-Y272 VanDerWaalsContact CD1-CD1 3.49Å; F201-Y272 HydrophobicContact CD1-CE1 4.15Å; F201-Y272 AromaticContact CD1-CG 3.78Å; F201-Y272 HydrophobicContact CD1-CG 3.78Å; F201-Y272 AromaticContact CE1-CD1 3.85Å; F201-Y272 HydrophobicContact CE1-CD1 3.85Å; F201-Y272 HydrophobicContact CE1-CD2 4.26Å; F201-Y272 AromaticContact CE1-CG 3.61Å; F201-Y272 HydrophobicContact CE1-CG 3.61Å; F201-Y272 HydrophobicContact CG-CD1 4.48Å |
| 202 | H | 90.8 | Very high | 94.7 | Very high | 119 Ų | 119 | 55 Ų | 55 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.3 | -44.2 | 177.9 | -151 | 74.3 | 0 | 0 | 0 | 111.8 | L198 W199 C200 E204 A205 E206 | L198-H202 PolarHBondContact O-N 2.98Å; W199-H202 PolarHBondContact O-N 3.27Å; C200-H202 VanDerWaalsContact C-N 3.34Å; C200-H202 PolarHBondContact O-N 2.97Å; H202-E204 VanDerWaalsContact C-N 3.34Å; H202-E204 PolarHBondContact O-N 2.98Å; H202-A205 PolarHBondContact O-N 3.39Å; H202-E206 IonicContact CD2-OE1 3.97Å; H202-E206 PolarHBondContact CD2-OE1 3.41Å; H202-E206 IonicContact NE2-OE1 2.7Å; H202-E206 WeakPolarHBondContact O-CG 3.44Å; H202-E206 PolarHBondContact O-N 3.02Å |
| 203 | L | 94.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 177.3 | -72.2 | 172 | 0 | 0 | 0 | 112.2 | W199 C200 E206 Q207 K208 L211 M212 I215 | W199-L203 HydrophobicContact CD2-CD1 4.31Å; W199-L203 HydrophobicContact CG-CD1 4.26Å; W199-L203 HydrophobicContact CG-CG 4.5Å; W199-L203 WeakPolarHBondContact O-CB 3.35Å; W199-L203 VanDerWaalsContact O-CG 3.29Å; W199-L203 WeakPolarHBondContact O-CG 3.32Å; W199-L203 PolarHBondContact O-N 2.92Å; C200-L203 PolarHBondContact O-N 2.79Å; L203-E206 CarbonylContact O-C 3.56Å; L203-E206 PolarHBondContact O-N 3.42Å; L203-Q207 PolarHBondContact O-N 2.89Å; L203-K208 HydrophobicContact CB-CB 4.38Å; L203-K208 HydrophobicContact CD2-CB 4.09Å; L203-K208 HydrophobicContact CD2-CD 3.84Å; L203-K208 PolarHBondContact O-N 3.41Å; L203-L211 HydrophobicContact CD1-CB 4.45Å; L203-L211 HydrophobicContact CD1-CD2 4.26Å; L203-L211 HydrophobicContact CD1-CG 3.89Å; L203-L211 HydrophobicContact CD2-CD2 3.76Å; L203-L211 HydrophobicContact CD2-CG 4.22Å; L203-M212 HydrophobicContact CB-CB 3.93Å; L203-I215 HydrophobicContact CD1-CB 4.32Å; L203-I215 HydrophobicContact CD1-CG1 3.64Å |
| 204 | E | 92.6 | Very high | 94.8 | Very high | 34 Ų | 34 | 61.6 Ų | 61.6 | 16% | 0.159 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 176.3 | -169.4 | 65.2 | -166.7 | 0 | 0 | 111.6 | C200 F201 H202 E206 Q207 M212 V269 R270 A273 | C200-E204 PolarHBondContact O-N 2.94Å; F201-E204 PolarHBondContact O-N 3.43Å; H202-E204 VanDerWaalsContact C-N 3.34Å; H202-E204 PolarHBondContact O-N 2.98Å; E204-E206 VanDerWaalsContact C-N 3.26Å; E204-E206 PolarHBondContact O-N 3.16Å; E204-Q207 WeakPolarHBondContact O-CA 3.46Å; E204-Q207 PolarHBondContact O-N 2.94Å; E204-M212 HydrophobicContact CB-CG 4.39Å; E204-M212 WeakPolarHBondContact OE2-CE 3.33Å; E204-V269 HydrophobicContact CB-CG1 3.61Å; E204-V269 HydrophobicContact CG-CG1 3.98Å; E204-R270 WeakPolarHBondContact OE1-CG 3.41Å; E204-A273 HydrophobicContact CB-CB 4.47Å; E204-A273 HydrophobicContact CG-CB 3.61Å |
| 205 | A | 87.7 | Confident | 94.9 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 60% | 0.603 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.1 | -33.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F201 H202 Q207 | F201-A205 WeakPolarHBondContact O-CB 3.33Å; F201-A205 PolarHBondContact O-N 3.01Å; H202-A205 PolarHBondContact O-N 3.39Å; A205-Q207 PolarHBondContact O-N 2.87Å |
| 206 | E | 93 | Very high | 95 | Very high | 88 Ų | 88 | 55.3 Ų | 55.3 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 4.4 | 172.5 | -69 | -177.6 | 170.6 | 0 | 0 | 113.9 | H202 L203 E204 K208 | H202-E206 IonicContact CD2-OE1 3.97Å; H202-E206 PolarHBondContact CD2-OE1 3.41Å; H202-E206 IonicContact NE2-OE1 2.7Å; H202-E206 WeakPolarHBondContact O-CG 3.44Å; H202-E206 PolarHBondContact O-N 3.02Å; L203-E206 CarbonylContact O-C 3.56Å; L203-E206 PolarHBondContact O-N 3.42Å; E204-E206 VanDerWaalsContact C-N 3.26Å; E204-E206 PolarHBondContact O-N 3.16Å; E206-K208 HydrophobicContact CB-CD 4.22Å; E206-K208 HydrophobicContact CB-CG 4.22Å; E206-K208 PolarHBondContact O-N 3.39Å; E206-K208 WeakPolarHBondContact OE2-CD 3.43Å; E206-K208 VanDerWaalsContact OE2-CE 3.27Å; E206-K208 WeakPolarHBondContact OE2-CE 3.37Å; E206-K208 IonicContact OE2-NZ 2.67Å; E206-K208 PolarHBondContact OE2-NZ 3.32Å |
| 207 | Q | 93.5 | Very high | 95.1 | Very high | 179 Ų | 179 | 56.9 Ų | 56.9 | 84% | 0.836 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 28.3 | -176.7 | -54 | -179.5 | 26.6 | 0 | 0 | 114.1 | L203 E204 A205 G209 | L203-Q207 PolarHBondContact O-N 2.89Å; E204-Q207 WeakPolarHBondContact O-CA 3.46Å; E204-Q207 PolarHBondContact O-N 2.94Å; A205-Q207 PolarHBondContact O-N 2.87Å; Q207-G209 VanDerWaalsContact C-N 3.33Å; Q207-G209 PolarHBondContact O-N 2.9Å |
| 208 | K | 95.9 | Very high | 95.2 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | trans | -94.7 | 51.6 | 176.1 | -65 | 176.3 | -177.1 | 162.3 | 0 | 111.6 | L203 E206 A210 L211 M212 | L203-K208 HydrophobicContact CB-CB 4.38Å; L203-K208 HydrophobicContact CD2-CB 4.09Å; L203-K208 HydrophobicContact CD2-CD 3.84Å; L203-K208 PolarHBondContact O-N 3.41Å; E206-K208 HydrophobicContact CB-CD 4.22Å; E206-K208 HydrophobicContact CB-CG 4.22Å; E206-K208 PolarHBondContact O-N 3.39Å; E206-K208 WeakPolarHBondContact OE2-CD 3.43Å; E206-K208 VanDerWaalsContact OE2-CE 3.27Å; E206-K208 WeakPolarHBondContact OE2-CE 3.37Å; E206-K208 IonicContact OE2-NZ 2.67Å; E206-K208 PolarHBondContact OE2-NZ 3.32Å; K208-A210 PolarHBondContact O-N 3.13Å; K208-L211 HydrophobicContact CB-CB 4.41Å; K208-L211 PolarHBondContact O-N 2.82Å; K208-L211 VanDerWaalsContact O-N 3.08Å; K208-M212 PolarHBondContact O-N 2.92Å | ||
| 209 | G | 94.9 | Very high | 95.4 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.4 | -45.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q207 L211 M212 E213 | Q207-G209 VanDerWaalsContact C-N 3.33Å; Q207-G209 PolarHBondContact O-N 2.9Å; G209-L211 VanDerWaalsContact C-N 3.29Å; G209-L211 PolarHBondContact O-N 3.34Å; G209-M212 WeakPolarHBondContact O-CB 3.41Å; G209-M212 PolarHBondContact O-N 3.3Å; G209-M212 VanDerWaalsContact O-N 3.11Å; G209-E213 WeakPolarHBondContact O-CG 3.45Å; G209-E213 PolarHBondContact O-N 2.91Å |
| 210 | A | 96.5 | Very high | 95.4 | Very high | 88 Ų | 88 | 48 Ų | 48 | 73% | 0.727 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61 | -37.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K208 Q214 | K208-A210 PolarHBondContact O-N 3.13Å; A210-Q214 PolarHBondContact O-N 3.33Å |
| 211 | L | 96.8 | Very high | 95.5 | Very high | 58 Ų | 58 | 48 Ų | 48 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.9 | -39.9 | 175.3 | -176.1 | 57.4 | 0 | 0 | 0 | 110.8 | M170 L203 K208 G209 E213 Q214 I215 | M170-L211 HydrophobicContact CE-CD1 3.91Å; M170-L211 HydrophobicContact SD-CD1 3.66Å; L203-L211 HydrophobicContact CD1-CB 4.45Å; L203-L211 HydrophobicContact CD1-CD2 4.26Å; L203-L211 HydrophobicContact CD1-CG 3.89Å; L203-L211 HydrophobicContact CD2-CD2 3.76Å; L203-L211 HydrophobicContact CD2-CG 4.22Å; K208-L211 HydrophobicContact CB-CB 4.41Å; K208-L211 PolarHBondContact O-N 2.82Å; K208-L211 VanDerWaalsContact O-N 3.08Å; G209-L211 VanDerWaalsContact C-N 3.29Å; G209-L211 PolarHBondContact O-N 3.34Å; L211-E213 VanDerWaalsContact C-N 3.29Å; L211-E213 PolarHBondContact O-N 2.89Å; L211-Q214 WeakPolarHBondContact O-CB 3.37Å; L211-Q214 PolarHBondContact O-N 3.46Å; L211-Q214 VanDerWaalsContact O-N 3.16Å; L211-I215 HydrophobicContact CD1-CD1 4.23Å; L211-I215 HydrophobicContact CD1-CG1 4.41Å; L211-I215 HydrophobicContact CG-CG1 4.44Å; L211-I215 WeakPolarHBondContact O-CG1 3.42Å; L211-I215 PolarHBondContact O-N 3.34Å |
| 212 | M | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.5 | -45.5 | 173.6 | 177.3 | -78.9 | -69.9 | 0 | 0 | 111.3 | C200 L203 E204 K208 G209 Q214 I215 A216 K266 V269 R270 | C200-M212 HydrophobicContact CB-CG 3.98Å; C200-M212 WeakPolarHBondContact O-CG 3.44Å; L203-M212 HydrophobicContact CB-CB 3.93Å; E204-M212 HydrophobicContact CB-CG 4.39Å; E204-M212 WeakPolarHBondContact OE2-CE 3.33Å; K208-M212 PolarHBondContact O-N 2.92Å; G209-M212 WeakPolarHBondContact O-CB 3.41Å; G209-M212 PolarHBondContact O-N 3.3Å; G209-M212 VanDerWaalsContact O-N 3.11Å; M212-Q214 VanDerWaalsContact C-N 3.3Å; M212-Q214 PolarHBondContact O-N 3.28Å; M212-I215 PolarHBondContact O-N 3.47Å; M212-A216 WeakPolarHBondContact O-CB 3.45Å; M212-A216 PolarHBondContact O-N 3.4Å; M212-A216 HydrophobicContact SD-CB 4.17Å; M212-K266 HydrophobicContact SD-CG 4.32Å; M212-V269 HydrophobicContact CE-CG1 4.33Å; M212-V269 HydrophobicContact CG-CG1 3.93Å; M212-V269 HydrophobicContact SD-CB 4.4Å; M212-V269 HydrophobicContact SD-CG1 4.03Å; M212-R270 HydrophobicContact CE-CG 4.1Å |
| 213 | E | 97.6 | Very high | 96.1 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.9 | -37.8 | 179.3 | -62.8 | -161.9 | -145.7 | 0 | 0 | 112.9 | G209 L211 A216 H217 K266 R270 | G209-E213 WeakPolarHBondContact O-CG 3.45Å; G209-E213 PolarHBondContact O-N 2.91Å; L211-E213 VanDerWaalsContact C-N 3.29Å; L211-E213 PolarHBondContact O-N 2.89Å; E213-A216 PolarHBondContact O-N 3.02Å; E213-H217 PolarHBondContact O-N 2.78Å; E213-K266 HydrophobicContact CB-CD 4.03Å; E213-K266 HydrophobicContact CG-CD 3.71Å; E213-K266 IonicContact OE2-NZ 3.45Å; E213-K266 PolarHBondContact OE2-NZ 2.94Å; E213-R270 IonicContact OE1-CZ 3.16Å; E213-R270 IonicContact OE1-NH2 2.77Å; E213-R270 PolarHBondContact OE1-NH2 3.06Å; E213-R270 IonicContact OE2-NH2 3.56Å |
| 214 | Q | 97.1 | Very high | 96.2 | Very high | 66 Ų | 66 | 44.7 Ų | 44.7 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64 | -48.6 | 174.7 | -178.2 | 77.7 | -24.4 | 0 | 0 | 111.2 | M170 A210 L211 M212 A216 H217 | M170-Q214 PolarHBondContact O-NE2 3.39Å; A210-Q214 PolarHBondContact O-N 3.33Å; L211-Q214 WeakPolarHBondContact O-CB 3.37Å; L211-Q214 PolarHBondContact O-N 3.46Å; L211-Q214 VanDerWaalsContact O-N 3.16Å; M212-Q214 VanDerWaalsContact C-N 3.3Å; M212-Q214 PolarHBondContact O-N 3.28Å; Q214-A216 VanDerWaalsContact C-N 3.3Å; Q214-A216 PolarHBondContact O-N 2.84Å; Q214-H217 WeakPolarHBondContact O-CB 3.32Å; Q214-H217 PolarHBondContact O-N 2.64Å |
| 215 | I | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -36.9 | 179.4 | -55.6 | -43.2 | 0 | 0 | 0 | 110.6 | G169 M170 L196 W199 L203 L211 M212 H217 Q218 A219 | G169-I215 VanDerWaalsContact C-CD1 3.46Å; G169-I215 WeakPolarHBondContact O-CD1 3.4Å; M170-I215 HydrophobicContact SD-CD1 3.77Å; L196-I215 HydrophobicContact CB-CG2 4.47Å; L196-I215 HydrophobicContact CD2-CG2 4.06Å; W199-I215 HydrophobicContact CD2-CG1 4.26Å; W199-I215 HydrophobicContact CD2-CG2 4.14Å; W199-I215 HydrophobicContact CE3-CB 4.43Å; W199-I215 HydrophobicContact CE3-CD1 4.06Å; W199-I215 HydrophobicContact CE3-CG1 3.94Å; W199-I215 HydrophobicContact CE3-CG2 3.55Å; W199-I215 HydrophobicContact CH2-CD1 3.63Å; W199-I215 HydrophobicContact CH2-CG1 4.11Å; W199-I215 HydrophobicContact CZ2-CD1 4.35Å; W199-I215 HydrophobicContact CZ2-CG1 4.43Å; W199-I215 HydrophobicContact CZ3-CD1 3.45Å; W199-I215 VanDerWaalsContact CZ3-CD1 3.45Å; W199-I215 HydrophobicContact CZ3-CG1 3.84Å; W199-I215 HydrophobicContact CZ3-CG2 4.05Å; L203-I215 HydrophobicContact CD1-CB 4.32Å; L203-I215 HydrophobicContact CD1-CG1 3.64Å; L211-I215 HydrophobicContact CD1-CD1 4.23Å; L211-I215 HydrophobicContact CD1-CG1 4.41Å; L211-I215 HydrophobicContact CG-CG1 4.44Å; L211-I215 WeakPolarHBondContact O-CG1 3.42Å; L211-I215 PolarHBondContact O-N 3.34Å; M212-I215 PolarHBondContact O-N 3.47Å; I215-H217 VanDerWaalsContact C-N 3.28Å; I215-H217 PolarHBondContact O-N 2.67Å; I215-Q218 PolarHBondContact O-N 3.28Å; I215-Q218 VanDerWaalsContact O-N 3.12Å; I215-A219 PolarHBondContact O-N 3.01Å |
| 216 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -39.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C200 M212 E213 Q214 Q218 A219 V220 L262 F265 K266 | C200-A216 PolarHBondContact SG-N 3.09Å; M212-A216 WeakPolarHBondContact O-CB 3.45Å; M212-A216 PolarHBondContact O-N 3.4Å; M212-A216 HydrophobicContact SD-CB 4.17Å; E213-A216 PolarHBondContact O-N 3.02Å; Q214-A216 VanDerWaalsContact C-N 3.3Å; Q214-A216 PolarHBondContact O-N 2.84Å; A216-Q218 PolarHBondContact O-N 3.22Å; A216-A219 PolarHBondContact O-N 3.45Å; A216-V220 VanDerWaalsContact O-CG2 3.31Å; A216-V220 WeakPolarHBondContact O-CG2 3.35Å; A216-V220 PolarHBondContact O-N 3.2Å; A216-L262 HydrophobicContact CB-CD1 4.08Å; A216-F265 HydrophobicContact CB-CD1 3.77Å; A216-F265 HydrophobicContact CB-CE1 3.7Å; A216-K266 HydrophobicContact CB-CG 3.97Å |
| 217 | H | 98 | Very high | 96.9 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 15% | 0.153 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54 | -52.5 | 173.8 | -179 | -89.3 | 0 | 0 | 0 | 111.2 | W174 E213 Q214 I215 V220 V221 F258 L262 | W174-H217 AromaticContact CH2-CE1 3.27Å; W174-H217 WeakPolarHBondContact CH2-CE1 3.48Å; W174-H217 AromaticContact CH2-NE2 3.23Å; W174-H217 WeakPolarHBondContact CH2-NE2 3.46Å; W174-H217 AromaticContact CZ2-NE2 3.72Å; W174-H217 AromaticContact CZ3-CE1 3.47Å; W174-H217 VanDerWaalsContact CZ3-CE1 3.47Å; W174-H217 WeakPolarHBondContact CZ3-CE1 3.4Å; W174-H217 AromaticContact CZ3-NE2 3.94Å; E213-H217 PolarHBondContact O-N 2.78Å; Q214-H217 WeakPolarHBondContact O-CB 3.32Å; Q214-H217 PolarHBondContact O-N 2.64Å; I215-H217 VanDerWaalsContact C-N 3.28Å; I215-H217 PolarHBondContact O-N 2.67Å; H217-V220 PolarHBondContact O-N 2.99Å; H217-V221 VanDerWaalsContact O-CG2 3.28Å; H217-V221 WeakPolarHBondContact O-CG2 3.43Å; H217-V221 PolarHBondContact O-N 3.45Å; H217-F258 AromaticContact CD2-CZ 3.96Å; H217-F258 AromaticContact NE2-CE1 3.88Å; H217-F258 AromaticContact NE2-CZ 3.85Å; H217-L262 HydrophobicContact CB-CD2 4.48Å |
| 218 | Q | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.4 | -30.1 | -178.6 | -62.8 | -60.1 | -32 | 0 | 0 | 113.1 | F168 L171 S177 I215 A216 V220 V221 M222 | F168-Q218 HydrophobicContact CD1-CB 4.26Å; F168-Q218 HydrophobicContact CE1-CB 3.87Å; F168-Q218 HydrophobicContact CZ-CB 4.33Å; F168-Q218 VanDerWaalsContact CZ-OE1 3.26Å; F168-Q218 WeakPolarHBondContact O-CG 3.41Å; L171-Q218 VanDerWaalsContact C-NE2 3.32Å; L171-Q218 VanDerWaalsContact O-CD 3.31Å; L171-Q218 WeakPolarHBondContact O-CG 3.36Å; L171-Q218 PolarHBondContact O-NE2 3Å; S177-Q218 PolarHBondContact OG-NE2 3.17Å; S177-Q218 PolarHBondContact OG-OE1 3.14Å; S177-Q218 VanDerWaalsContact OG-OE1 3.06Å; I215-Q218 PolarHBondContact O-N 3.28Å; I215-Q218 VanDerWaalsContact O-N 3.12Å; A216-Q218 PolarHBondContact O-N 3.22Å; Q218-V220 VanDerWaalsContact C-N 3.34Å; Q218-V221 WeakPolarHBondContact O-CB 3.34Å; Q218-V221 PolarHBondContact O-N 3.41Å; Q218-M222 PolarHBondContact O-N 3.43Å |
| 219 | A | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L196 I197 I215 A216 M222 Q223 F265 | L196-A219 HydrophobicContact CB-CB 3.76Å; I197-A219 HydrophobicContact CG1-CB 4.27Å; I215-A219 PolarHBondContact O-N 3.01Å; A216-A219 PolarHBondContact O-N 3.45Å; A219-M222 PolarHBondContact O-N 3.04Å; A219-Q223 PolarHBondContact O-N 2.86Å; A219-F265 HydrophobicContact CB-CE1 4.23Å |
| 220 | V | 97.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.2 | -36 | 178.4 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | A216 H217 Q218 M222 Q223 F224 F258 E261 L262 F265 | A216-V220 VanDerWaalsContact O-CG2 3.31Å; A216-V220 WeakPolarHBondContact O-CG2 3.35Å; A216-V220 PolarHBondContact O-N 3.2Å; H217-V220 PolarHBondContact O-N 2.99Å; Q218-V220 VanDerWaalsContact C-N 3.34Å; V220-M222 PolarHBondContact O-N 3.05Å; V220-Q223 PolarHBondContact O-N 3.49Å; V220-F224 HydrophobicContact CG1-CD2 3.71Å; V220-F224 HydrophobicContact CG1-CE2 3.74Å; V220-F224 WeakPolarHBondContact O-CD2 3.4Å; V220-F224 PolarHBondContact O-N 3.38Å; V220-F258 HydrophobicContact CB-CE2 4.16Å; V220-F258 HydrophobicContact CG1-CD2 3.87Å; V220-F258 HydrophobicContact CG1-CE2 3.63Å; V220-F258 HydrophobicContact CG1-CZ 4.34Å; V220-E261 HydrophobicContact CG1-CB 4.49Å; V220-E261 HydrophobicContact CG1-CG 4.22Å; V220-L262 HydrophobicContact CB-CD1 4.37Å; V220-L262 HydrophobicContact CG2-CD1 3.93Å; V220-F265 HydrophobicContact CG2-CB 4.01Å; V220-F265 HydrophobicContact CG2-CD1 3.91Å; V220-F265 HydrophobicContact CG2-CG 4.08Å |
| 221 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.4 | -51.5 | 171.2 | 167.2 | 0 | 0 | 0 | 0 | 111.4 | F168 W174 H217 Q218 Q223 F224 I225 F243 F244 F258 | F168-V221 HydrophobicContact CZ-CG1 4.2Å; W174-V221 HydrophobicContact CH2-CG2 4.05Å; W174-V221 HydrophobicContact CZ3-CG2 3.52Å; H217-V221 VanDerWaalsContact O-CG2 3.28Å; H217-V221 WeakPolarHBondContact O-CG2 3.43Å; H217-V221 PolarHBondContact O-N 3.45Å; Q218-V221 WeakPolarHBondContact O-CB 3.34Å; Q218-V221 PolarHBondContact O-N 3.41Å; V221-Q223 VanDerWaalsContact C-N 3.29Å; V221-Q223 PolarHBondContact O-N 3Å; V221-F224 PolarHBondContact O-N 2.89Å; V221-I225 HydrophobicContact CG1-CD1 3.91Å; V221-I225 WeakPolarHBondContact O-CG1 3.44Å; V221-I225 PolarHBondContact O-N 3Å; V221-F243 HydrophobicContact CB-CE1 4.27Å; V221-F243 HydrophobicContact CB-CZ 4.32Å; V221-F243 HydrophobicContact CG1-CD1 4.23Å; V221-F243 HydrophobicContact CG1-CE1 3.62Å; V221-F243 HydrophobicContact CG1-CZ 4.14Å; V221-F243 HydrophobicContact CG2-CE1 4.12Å; V221-F243 HydrophobicContact CG2-CZ 4.05Å; V221-F244 HydrophobicContact CG1-CE1 4.08Å; V221-F244 HydrophobicContact CG1-CZ 3.81Å; V221-F258 HydrophobicContact CG2-CE2 3.77Å; V221-F258 HydrophobicContact CG2-CZ 3.81Å |
| 222 | M | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 178.9 | -169.7 | 59.8 | 71.4 | 0 | 0 | 111 | F168 L181 L187 V188 T192 A193 L196 Q218 A219 V220 F224 I225 M226 | F168-M222 HydrophobicContact CD1-CE 4.36Å; F168-M222 HydrophobicContact CE1-CB 4.41Å; F168-M222 HydrophobicContact CE1-CE 3.8Å; F168-M222 HydrophobicContact CZ-CE 4.01Å; L181-M222 HydrophobicContact CD1-CE 4.25Å; L181-M222 HydrophobicContact CD2-CE 3.91Å; L187-M222 WeakPolarHBondContact O-CE 3.42Å; V188-M222 HydrophobicContact CG1-SD 4.37Å; T192-M222 HydrophobicContact CG2-CE 3.88Å; A193-M222 HydrophobicContact CB-CB 4.28Å; A193-M222 HydrophobicContact CB-CG 3.79Å; L196-M222 HydrophobicContact CD1-CB 4.44Å; Q218-M222 PolarHBondContact O-N 3.43Å; A219-M222 PolarHBondContact O-N 3.04Å; V220-M222 PolarHBondContact O-N 3.05Å; M222-F224 PolarHBondContact O-N 3.24Å; M222-I225 PolarHBondContact O-N 3.3Å; M222-M226 HydrophobicContact CG-CE 4.49Å; M222-M226 WeakPolarHBondContact O-CG 3.44Å; M222-M226 PolarHBondContact O-N 3.08Å; M222-M226 HydrophobicContact SD-CE 3.76Å |
| 223 | Q | 96.9 | Very high | 96.1 | Very high | 80 Ų | 80 | 43.3 Ų | 43.3 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 177.5 | -169.9 | 62 | 42.5 | 0 | 0 | 112.5 | A219 V220 V221 I225 M226 E227 | A219-Q223 PolarHBondContact O-N 2.86Å; V220-Q223 PolarHBondContact O-N 3.49Å; V221-Q223 VanDerWaalsContact C-N 3.29Å; V221-Q223 PolarHBondContact O-N 3Å; Q223-I225 VanDerWaalsContact C-N 3.34Å; Q223-I225 PolarHBondContact O-N 3.49Å; Q223-M226 PolarHBondContact O-N 3.47Å; Q223-E227 WeakPolarHBondContact O-CB 3.47Å; Q223-E227 PolarHBondContact O-N 3.41Å |
| 224 | F | 96.2 | Very high | 95.9 | Very high | 33 Ų | 33 | 43.3 Ų | 43.3 | 15% | 0.145 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.2 | -35.8 | 176.4 | -93.4 | -113 | 0 | 0 | 0 | 112.4 | V220 V221 M222 E227 M228 F243 Y254 F258 E261 | V220-F224 HydrophobicContact CG1-CD2 3.71Å; V220-F224 HydrophobicContact CG1-CE2 3.74Å; V220-F224 WeakPolarHBondContact O-CD2 3.4Å; V220-F224 PolarHBondContact O-N 3.38Å; V221-F224 PolarHBondContact O-N 2.89Å; M222-F224 PolarHBondContact O-N 3.24Å; F224-E227 PolarHBondContact O-N 3.41Å; F224-M228 VanDerWaalsContact O-CB 3.32Å; F224-M228 WeakPolarHBondContact O-CB 3.36Å; F224-M228 PolarHBondContact O-N 3.45Å; F224-F243 HydrophobicContact CB-CD2 3.72Å; F224-F243 HydrophobicContact CB-CE2 3.4Å; F224-F243 HydrophobicContact CB-CZ 4.38Å; F224-F243 HydrophobicContact CD1-CE2 4.16Å; F224-F243 HydrophobicContact CG-CE2 4.05Å; F224-Y254 HydrophobicContact CD1-CE2 4.24Å; F224-Y254 AromaticContact CD1-CZ 3.86Å; F224-Y254 HydrophobicContact CE1-CE2 4.46Å; F224-F258 HydrophobicContact CD1-CD2 4.38Å; F224-F258 HydrophobicContact CD2-CD2 4.08Å; F224-F258 HydrophobicContact CE1-CB 4.09Å; F224-F258 HydrophobicContact CE2-CD2 4.19Å; F224-F258 HydrophobicContact CG-CD2 4.18Å; F224-F258 HydrophobicContact CZ-CB 4.11Å; F224-F258 HydrophobicContact CZ-CD2 4.42Å; F224-E261 HydrophobicContact CE2-CB 3.81Å; F224-E261 HydrophobicContact CE2-CG 3.86Å; F224-E261 HydrophobicContact CZ-CB 4.12Å |
| 225 | I | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | 172.8 | -67.2 | 161.8 | 0 | 0 | 0 | 110.1 | L181 V188 V221 M222 Q223 E227 M228 A229 P236 F240 F243 F244 | L181-I225 HydrophobicContact CD1-CD1 4.08Å; V188-I225 HydrophobicContact CG1-CG2 3.79Å; V221-I225 HydrophobicContact CG1-CD1 3.91Å; V221-I225 WeakPolarHBondContact O-CG1 3.44Å; V221-I225 PolarHBondContact O-N 3Å; M222-I225 PolarHBondContact O-N 3.3Å; Q223-I225 VanDerWaalsContact C-N 3.34Å; Q223-I225 PolarHBondContact O-N 3.49Å; I225-E227 VanDerWaalsContact C-N 3.34Å; I225-E227 PolarHBondContact O-N 3.01Å; I225-M228 PolarHBondContact O-N 2.86Å; I225-A229 WeakPolarHBondContact O-CB 3.47Å; I225-A229 PolarHBondContact O-N 2.97Å; I225-P236 HydrophobicContact CG2-CB 4.2Å; I225-F240 HydrophobicContact CD1-CB 4.1Å; I225-F240 HydrophobicContact CG1-CB 4.21Å; I225-F240 HydrophobicContact CG2-CB 3.49Å; I225-F240 VanDerWaalsContact CG2-CB 3.49Å; I225-F243 HydrophobicContact CD1-CD1 4.22Å; I225-F243 HydrophobicContact CD1-CG 4.46Å; I225-F243 HydrophobicContact CG1-CB 3.75Å; I225-F243 HydrophobicContact CG1-CD1 3.94Å; I225-F243 HydrophobicContact CG1-CD2 4.24Å; I225-F243 HydrophobicContact CG1-CG 3.69Å; I225-F244 HydrophobicContact CD1-CE2 3.94Å; I225-F244 HydrophobicContact CD1-CZ 4.22Å |
| 226 | M | 96.5 | Very high | 95.7 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 176.4 | -64.9 | -56 | 107 | 0 | 0 | 111.7 | V188 E190 M222 Q223 A229 K230 P236 | V188-M226 HydrophobicContact CG1-CE 3.78Å; E190-M226 HydrophobicContact CG-SD 4.32Å; M222-M226 HydrophobicContact CG-CE 4.49Å; M222-M226 WeakPolarHBondContact O-CG 3.44Å; M222-M226 PolarHBondContact O-N 3.08Å; M222-M226 HydrophobicContact SD-CE 3.76Å; Q223-M226 PolarHBondContact O-N 3.47Å; M226-A229 WeakPolarHBondContact O-CB 3.39Å; M226-A229 PolarHBondContact O-N 3.13Å; M226-K230 WeakPolarHBondContact O-CB 3.44Å; M226-K230 PolarHBondContact O-N 3.1Å; M226-P236 HydrophobicContact CE-CB 3.41Å; M226-P236 VanDerWaalsContact CE-CB 3.41Å; M226-P236 HydrophobicContact CE-CG 3.75Å; M226-P236 HydrophobicContact SD-CB 4.01Å; M226-P236 HydrophobicContact SD-CG 3.92Å |
| 227 | E | 94.6 | Very high | 95.7 | Very high | 79 Ų | 79 | 50.1 Ų | 50.1 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | -179.5 | -168.7 | 57.5 | -140 | 0 | 0 | 111.8 | Q223 F224 I225 A229 K230 N231 | Q223-E227 WeakPolarHBondContact O-CB 3.47Å; Q223-E227 PolarHBondContact O-N 3.41Å; F224-E227 PolarHBondContact O-N 3.41Å; I225-E227 VanDerWaalsContact C-N 3.34Å; I225-E227 PolarHBondContact O-N 3.01Å; E227-A229 VanDerWaalsContact C-N 3.34Å; E227-A229 PolarHBondContact O-N 3.45Å; E227-K230 PolarHBondContact O-N 2.87Å; E227-N231 WeakPolarHBondContact O-CB 3.28Å; E227-N231 VanDerWaalsContact O-CG 3.31Å; E227-N231 PolarHBondContact O-N 3.49Å; E227-N231 PolarHBondContact O-ND2 3.47Å; E227-N231 PolarHBondContact OE1-ND2 2.89Å; E227-N231 VanDerWaalsContact OE1-ND2 3.15Å |
| 228 | M | 93.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 174.5 | -175 | 178.6 | -57.8 | 0 | 0 | 112 | F224 I225 S232 L242 F243 K246 Y254 | F224-M228 VanDerWaalsContact O-CB 3.32Å; F224-M228 WeakPolarHBondContact O-CB 3.36Å; F224-M228 PolarHBondContact O-N 3.45Å; I225-M228 PolarHBondContact O-N 2.86Å; M228-S232 WeakPolarHBondContact O-CB 3.26Å; M228-S232 PolarHBondContact O-N 3.33Å; M228-S232 VanDerWaalsContact O-N 3.1Å; M228-S232 PolarHBondContact O-OG 2.92Å; M228-L242 HydrophobicContact SD-CB 3.94Å; M228-L242 HydrophobicContact SD-CD2 3.91Å; M228-L242 HydrophobicContact SD-CG 3.88Å; M228-F243 HydrophobicContact CE-CB 3.81Å; M228-F243 HydrophobicContact CE-CD2 4.27Å; M228-F243 HydrophobicContact SD-CB 4.29Å; M228-K246 HydrophobicContact CE-CD 4.18Å; M228-Y254 HydrophobicContact CE-CE2 4.24Å; M228-Y254 WeakPolarHBondContact CE-OH 3.49Å |
| 229 | A | 95.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.033 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -46.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I225 M226 E227 S232 N233 V234 P236 | I225-A229 WeakPolarHBondContact O-CB 3.47Å; I225-A229 PolarHBondContact O-N 2.97Å; M226-A229 WeakPolarHBondContact O-CB 3.39Å; M226-A229 PolarHBondContact O-N 3.13Å; E227-A229 VanDerWaalsContact C-N 3.34Å; E227-A229 PolarHBondContact O-N 3.45Å; A229-S232 CarbonylContact O-C 3.56Å; A229-S232 PolarHBondContact O-N 3.37Å; A229-N233 PolarHBondContact O-N 3.39Å; A229-V234 WeakPolarHBondContact CB-O 3.41Å; A229-V234 PolarHBondContact O-N 2.99Å; A229-V234 VanDerWaalsContact O-N 3.1Å; A229-P236 VanDerWaalsContact CB-CA 3.5Å; A229-P236 HydrophobicContact CB-CB 3.54Å; A229-P236 HydrophobicContact CB-CG 4.36Å |
| 230 | K | 94.9 | Very high | 95.3 | Very high | 154 Ų | 154 | 52.2 Ų | 52.2 | 67% | 0.67 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.2 | -46.6 | 177.1 | -174.2 | -178.1 | 177 | -171.6 | 0 | 112.2 | M226 E227 S232 N233 | M226-K230 WeakPolarHBondContact O-CB 3.44Å; M226-K230 PolarHBondContact O-N 3.1Å; E227-K230 PolarHBondContact O-N 2.87Å; K230-S232 VanDerWaalsContact C-N 3.27Å; K230-S232 PolarHBondContact O-N 2.95Å; K230-N233 PolarHBondContact O-N 2.88Å |
| 231 | N | 91.7 | Very high | 95.3 | Very high | 118 Ų | 118 | 57.5 Ų | 57.5 | 63% | 0.631 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.6 | -27.2 | 179.3 | -71.5 | -34.9 | 0 | 0 | 0 | 113.2 | E227 | E227-N231 WeakPolarHBondContact O-CB 3.28Å; E227-N231 VanDerWaalsContact O-CG 3.31Å; E227-N231 PolarHBondContact O-N 3.49Å; E227-N231 PolarHBondContact O-ND2 3.47Å; E227-N231 PolarHBondContact OE1-ND2 2.89Å; E227-N231 VanDerWaalsContact OE1-ND2 3.15Å |
| 232 | S | 90.2 | Very high | 95.1 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 46% | 0.462 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -94.4 | -5.8 | 178.2 | -49.5 | 0 | 0 | 0 | 0 | 113.4 | M228 A229 K230 V234 | M228-S232 WeakPolarHBondContact O-CB 3.26Å; M228-S232 PolarHBondContact O-N 3.33Å; M228-S232 VanDerWaalsContact O-N 3.1Å; M228-S232 PolarHBondContact O-OG 2.92Å; A229-S232 CarbonylContact O-C 3.56Å; A229-S232 PolarHBondContact O-N 3.37Å; K230-S232 VanDerWaalsContact C-N 3.27Å; K230-S232 PolarHBondContact O-N 2.95Å; S232-V234 VanDerWaalsContact C-N 3.27Å; S232-V234 PolarHBondContact O-N 2.96Å |
| 233 | N | 92.5 | Very high | 94.9 | Very high | 154 Ų | 154 | 60.9 Ų | 60.9 | 82% | 0.824 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 41.8 | -172 | -157.8 | 34.9 | 0 | 0 | 0 | 113.5 | A229 K230 | A229-N233 PolarHBondContact O-N 3.39Å; K230-N233 PolarHBondContact O-N 2.88Å |
| 234 | V | 93.8 | Very high | 94.8 | Very high | 74 Ų | 74 | 57.1 Ų | 57.1 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -121.7 | 149.6 | 179.2 | 176.2 | 0 | 0 | 0 | 0 | 109 | A229 S232 C239 | A229-V234 WeakPolarHBondContact CB-O 3.41Å; A229-V234 PolarHBondContact O-N 2.99Å; A229-V234 VanDerWaalsContact O-N 3.1Å; S232-V234 VanDerWaalsContact C-N 3.27Å; S232-V234 PolarHBondContact O-N 2.96Å; V234-C239 HydrophobicContact CG1-CB 4.4Å |
| 235 | D | 94.3 | Very high | 94.6 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | trans | -59.5 | 132.4 | 172.2 | -176.6 | -64.7 | 0 | 0 | 0 | 110.2 | R237 G238 | D235-R237 PolarHBondContact O-N 2.84Å; D235-R237 VanDerWaalsContact O-N 3.11Å; D235-R237 WeakPolarHBondContact OD1-CA 3.4Å; D235-R237 WeakPolarHBondContact OD1-CB 3.47Å; D235-R237 WeakPolarHBondContact OD1-CD 3.47Å; D235-R237 WeakPolarHBondContact OD1-CG 3.32Å; D235-R237 PolarHBondContact OD1-N 3.02Å; D235-R237 IonicContact OD1-NE 3.92Å; D235-R237 PolarHBondContact OD1-NE 3.37Å; D235-R237 VanDerWaalsContact OD1-NE 3.16Å; D235-R237 IonicContact OD2-CZ 3.31Å; D235-R237 IonicContact OD2-NE 2.64Å; D235-R237 PolarHBondContact OD2-NE 3.41Å; D235-R237 IonicContact OD2-NH2 3.88Å; D235-G238 WeakPolarHBondContact O-CA 3.48Å; D235-G238 PolarHBondContact O-N 3.49Å | ||
| 236 | P | 96.7 | Very high | 94.3 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -26.4 | -175.1 | 26.3 | -37 | 0 | 0 | 0 | 113.6 | V188 I225 M226 A229 G238 C239 F240 | V188-P236 HydrophobicContact CG1-CB 3.92Å; V188-P236 HydrophobicContact CG1-CG 4.49Å; I225-P236 HydrophobicContact CG2-CB 4.2Å; M226-P236 HydrophobicContact CE-CB 3.41Å; M226-P236 VanDerWaalsContact CE-CB 3.41Å; M226-P236 HydrophobicContact CE-CG 3.75Å; M226-P236 HydrophobicContact SD-CB 4.01Å; M226-P236 HydrophobicContact SD-CG 3.92Å; A229-P236 VanDerWaalsContact CB-CA 3.5Å; A229-P236 HydrophobicContact CB-CB 3.54Å; A229-P236 HydrophobicContact CB-CG 4.36Å; P236-G238 PolarHBondContact O-N 2.97Å; P236-C239 PolarHBondContact O-N 3.35Å; P236-F240 WeakPolarHBondContact O-CB 3.32Å; P236-F240 PolarHBondContact O-N 3.17Å |
| 237 | R | 96.7 | Very high | 94 | Very high | 106 Ų | 106 | 63.6 Ų | 63.6 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66 | -24.3 | 174.3 | -54.1 | 169 | -122 | -135.7 | -10 | 112.2 | P185 V188 D235 F240 | P185-R237 WeakPolarHBondContact O-CG 3.47Å; V188-R237 HydrophobicContact CB-CG 4.13Å; D235-R237 PolarHBondContact O-N 2.84Å; D235-R237 VanDerWaalsContact O-N 3.11Å; D235-R237 WeakPolarHBondContact OD1-CA 3.4Å; D235-R237 WeakPolarHBondContact OD1-CB 3.47Å; D235-R237 WeakPolarHBondContact OD1-CD 3.47Å; D235-R237 WeakPolarHBondContact OD1-CG 3.32Å; D235-R237 PolarHBondContact OD1-N 3.02Å; D235-R237 IonicContact OD1-NE 3.92Å; D235-R237 PolarHBondContact OD1-NE 3.37Å; D235-R237 VanDerWaalsContact OD1-NE 3.16Å; D235-R237 IonicContact OD2-CZ 3.31Å; D235-R237 IonicContact OD2-NE 2.64Å; D235-R237 PolarHBondContact OD2-NE 3.41Å; D235-R237 IonicContact OD2-NH2 3.88Å; R237-F240 VanDerWaalsContact O-CD1 3.27Å; R237-F240 WeakPolarHBondContact O-CD1 3.49Å; R237-F240 WeakPolarHBondContact O-CE1 3.48Å |
| 238 | G | 94.6 | Very high | 93.7 | Very high | 59 Ų | 59 | 63.7 Ų | 63.7 | 61% | 0.608 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -83 | -27.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D235 P236 | D235-G238 WeakPolarHBondContact O-CA 3.48Å; D235-G238 PolarHBondContact O-N 3.49Å; P236-G238 PolarHBondContact O-N 2.97Å |
| 239 | C | 95.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 66.3 Ų | 66.3 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -115.7 | -8.6 | -171.2 | 70.5 | 0 | 0 | 0 | 0 | 115.4 | V234 P236 R241 L242 | V234-C239 HydrophobicContact CG1-CB 4.4Å; P236-C239 PolarHBondContact O-N 3.35Å; C239-R241 PolarHBondContact O-N 3.43Å; C239-L242 VanDerWaalsContact O-CB 3.24Å; C239-L242 WeakPolarHBondContact O-CB 3.39Å; C239-L242 PolarHBondContact O-N 2.98Å |
| 240 | F | 97.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.4 | -27.7 | -176 | 78 | -86.3 | 0 | 0 | 0 | 114.9 | Q178 L181 V188 I225 P236 R237 L242 F243 F244 | Q178-F240 HydrophobicContact CG-CE2 4.41Å; L181-F240 HydrophobicContact CB-CD2 4.03Å; L181-F240 HydrophobicContact CB-CE2 3.69Å; L181-F240 HydrophobicContact CB-CZ 4.28Å; L181-F240 HydrophobicContact CD1-CD2 4.27Å; V188-F240 HydrophobicContact CG1-CB 4.09Å; V188-F240 HydrophobicContact CG2-CD1 4.33Å; V188-F240 HydrophobicContact CG2-CG 4.33Å; I225-F240 HydrophobicContact CD1-CB 4.1Å; I225-F240 HydrophobicContact CG1-CB 4.21Å; I225-F240 HydrophobicContact CG2-CB 3.49Å; I225-F240 VanDerWaalsContact CG2-CB 3.49Å; P236-F240 WeakPolarHBondContact O-CB 3.32Å; P236-F240 PolarHBondContact O-N 3.17Å; R237-F240 VanDerWaalsContact O-CD1 3.27Å; R237-F240 WeakPolarHBondContact O-CD1 3.49Å; R237-F240 WeakPolarHBondContact O-CE1 3.48Å; F240-L242 VanDerWaalsContact C-N 3.26Å; F240-L242 PolarHBondContact O-N 2.86Å; F240-F243 WeakPolarHBondContact O-CB 3.27Å; F240-F243 PolarHBondContact O-N 3.08Å; F240-F244 HydrophobicContact CD2-CD2 4.15Å; F240-F244 AromaticContact CD2-CE2 3.93Å; F240-F244 HydrophobicContact CD2-CE2 3.93Å; F240-F244 VanDerWaalsContact O-CD2 3.23Å; F240-F244 WeakPolarHBondContact O-CD2 3.3Å |
| 241 | R | 96.4 | Very high | 91.9 | Very high | 117 Ų | 117 | 69.3 Ų | 69.3 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.1 | -31.1 | 176.5 | -65.2 | -174.5 | 177.2 | 88.1 | 3.9 | 112.5 | S182 C239 F243 F244 Q245 | S182-R241 PolarHBondContact OG-NE 3.05Å; S182-R241 PolarHBondContact OG-NH2 3.4Å; C239-R241 PolarHBondContact O-N 3.43Å; R241-F243 VanDerWaalsContact C-N 3.33Å; R241-F244 PolarHBondContact O-N 3.14Å; R241-Q245 PolarHBondContact O-N 2.77Å |
| 242 | L | 93.9 | Very high | 91 | Very high | 72 Ų | 72 | 73.1 Ų | 73.1 | 38% | 0.377 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 177.1 | -177.7 | 60.7 | 0 | 0 | 0 | 111.3 | M228 C239 F240 F244 Q245 K246 | M228-L242 HydrophobicContact SD-CB 3.94Å; M228-L242 HydrophobicContact SD-CD2 3.91Å; M228-L242 HydrophobicContact SD-CG 3.88Å; C239-L242 VanDerWaalsContact O-CB 3.24Å; C239-L242 WeakPolarHBondContact O-CB 3.39Å; C239-L242 PolarHBondContact O-N 2.98Å; F240-L242 VanDerWaalsContact C-N 3.26Å; F240-L242 PolarHBondContact O-N 2.86Å; L242-F244 PolarHBondContact O-N 2.95Å; L242-Q245 PolarHBondContact O-N 2.93Å; L242-K246 HydrophobicContact CD1-CG 4.4Å; L242-K246 HydrophobicContact CG-CD 4.41Å; L242-K246 WeakPolarHBondContact O-CG 3.3Å; L242-K246 PolarHBondContact O-N 3.34Å |
| 243 | F | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -53.5 | -54.2 | 171.5 | 168.7 | -89.6 | 0 | 0 | 0 | 111.2 | W174 V221 F224 I225 M228 F240 R241 Q245 K246 A247 Y254 F258 | W174-F243 HydrophobicContact CZ3-CE1 4.09Å; W174-F243 HydrophobicContact CZ3-CZ 4.38Å; V221-F243 HydrophobicContact CB-CE1 4.27Å; V221-F243 HydrophobicContact CB-CZ 4.32Å; V221-F243 HydrophobicContact CG1-CD1 4.23Å; V221-F243 HydrophobicContact CG1-CE1 3.62Å; V221-F243 HydrophobicContact CG1-CZ 4.14Å; V221-F243 HydrophobicContact CG2-CE1 4.12Å; V221-F243 HydrophobicContact CG2-CZ 4.05Å; F224-F243 HydrophobicContact CB-CD2 3.72Å; F224-F243 HydrophobicContact CB-CE2 3.4Å; F224-F243 HydrophobicContact CB-CZ 4.38Å; F224-F243 HydrophobicContact CD1-CE2 4.16Å; F224-F243 HydrophobicContact CG-CE2 4.05Å; I225-F243 HydrophobicContact CD1-CD1 4.22Å; I225-F243 HydrophobicContact CD1-CG 4.46Å; I225-F243 HydrophobicContact CG1-CB 3.75Å; I225-F243 HydrophobicContact CG1-CD1 3.94Å; I225-F243 HydrophobicContact CG1-CD2 4.24Å; I225-F243 HydrophobicContact CG1-CG 3.69Å; M228-F243 HydrophobicContact CE-CB 3.81Å; M228-F243 HydrophobicContact CE-CD2 4.27Å; M228-F243 HydrophobicContact SD-CB 4.29Å; F240-F243 WeakPolarHBondContact O-CB 3.27Å; F240-F243 PolarHBondContact O-N 3.08Å; R241-F243 VanDerWaalsContact C-N 3.33Å; F243-Q245 VanDerWaalsContact C-N 3.3Å; F243-Q245 PolarHBondContact O-N 3.37Å; F243-K246 PolarHBondContact O-N 2.98Å; F243-A247 HydrophobicContact CE1-CB 4.39Å; F243-A247 HydrophobicContact CZ-CB 4.43Å; F243-A247 WeakPolarHBondContact O-CB 3.39Å; F243-A247 PolarHBondContact O-N 3.42Å; F243-Y254 HydrophobicContact CD2-CE1 4.22Å; F243-Y254 WeakPolarHBondContact CD2-OH 3.4Å; F243-Y254 HydrophobicContact CE2-CE1 4.15Å; F243-F258 HydrophobicContact CE2-CD2 4.36Å; F243-F258 HydrophobicContact CZ-CD2 4.23Å; F243-F258 HydrophobicContact CZ-CE2 4.12Å |
| 244 | F | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.5 | -32.6 | -178 | -68.1 | -75.8 | 0 | 0 | 0 | 112.6 | W174 Q178 L181 V221 I225 F240 R241 L242 K248 | W174-F244 HydrophobicContact CB-CD1 4.24Å; W174-F244 AromaticContact CE3-CD1 3.89Å; W174-F244 HydrophobicContact CE3-CD1 3.89Å; W174-F244 AromaticContact CE3-CE1 3.88Å; W174-F244 HydrophobicContact CE3-CE1 3.88Å; W174-F244 HydrophobicContact CZ3-CE1 4.44Å; Q178-F244 HydrophobicContact CB-CB 4.16Å; Q178-F244 HydrophobicContact CB-CD1 4.1Å; Q178-F244 HydrophobicContact CB-CD2 3.72Å; Q178-F244 HydrophobicContact CB-CE1 4.46Å; Q178-F244 HydrophobicContact CB-CE2 4.13Å; Q178-F244 HydrophobicContact CB-CG 3.72Å; Q178-F244 HydrophobicContact CB-CZ 4.48Å; Q178-F244 HydrophobicContact CG-CB 4.16Å; Q178-F244 HydrophobicContact CG-CD2 3.8Å; Q178-F244 HydrophobicContact CG-CE2 4.49Å; Q178-F244 HydrophobicContact CG-CG 4.04Å; Q178-F244 VanDerWaalsContact OE1-CB 3.28Å; L181-F244 HydrophobicContact CD1-CE2 3.93Å; L181-F244 HydrophobicContact CD1-CZ 4.01Å; V221-F244 HydrophobicContact CG1-CE1 4.08Å; V221-F244 HydrophobicContact CG1-CZ 3.81Å; I225-F244 HydrophobicContact CD1-CE2 3.94Å; I225-F244 HydrophobicContact CD1-CZ 4.22Å; F240-F244 HydrophobicContact CD2-CD2 4.15Å; F240-F244 AromaticContact CD2-CE2 3.93Å; F240-F244 HydrophobicContact CD2-CE2 3.93Å; F240-F244 VanDerWaalsContact O-CD2 3.23Å; F240-F244 WeakPolarHBondContact O-CD2 3.3Å; R241-F244 PolarHBondContact O-N 3.14Å; L242-F244 PolarHBondContact O-N 2.95Å; F244-K248 WeakPolarHBondContact O-CB 3.33Å; F244-K248 WeakPolarHBondContact O-CG 3.29Å; F244-K248 PolarHBondContact O-N 3.42Å |
| 245 | Q | 92.8 | Very high | 89.8 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 61% | 0.607 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 173 | -175.3 | -180 | 8.6 | 0 | 0 | 111.4 | R241 L242 F243 K248 A249 | R241-Q245 PolarHBondContact O-N 2.77Å; L242-Q245 PolarHBondContact O-N 2.93Å; F243-Q245 VanDerWaalsContact C-N 3.3Å; F243-Q245 PolarHBondContact O-N 3.37Å; Q245-K248 PolarHBondContact O-N 3.45Å; Q245-A249 WeakPolarHBondContact O-CB 3.4Å; Q245-A249 PolarHBondContact O-N 3.35Å |
| 246 | K | 90.8 | Very high | 89.7 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 178.5 | -71.5 | -176.9 | 162.3 | -106.4 | 0 | 112.6 | M228 L242 F243 K248 A249 E250 E251 Y254 | M228-K246 HydrophobicContact CE-CD 4.18Å; L242-K246 HydrophobicContact CD1-CG 4.4Å; L242-K246 HydrophobicContact CG-CD 4.41Å; L242-K246 WeakPolarHBondContact O-CG 3.3Å; L242-K246 PolarHBondContact O-N 3.34Å; F243-K246 PolarHBondContact O-N 2.98Å; K246-K248 PolarHBondContact O-N 2.7Å; K246-A249 PolarHBondContact O-N 3.18Å; K246-E250 PolarHBondContact O-N 3.37Å; K246-E251 WeakPolarHBondContact CD-OE2 3.45Å; K246-E251 WeakPolarHBondContact CE-OE2 3.37Å; K246-E251 WeakPolarHBondContact CG-OE2 3.47Å; K246-E251 IonicContact NZ-OE1 2.98Å; K246-E251 PolarHBondContact NZ-OE1 3.22Å; K246-E251 IonicContact NZ-OE2 2.77Å; K246-E251 PolarHBondContact NZ-OE2 3.23Å; K246-E251 PolarHBondContact O-N 2.89Å; K246-Y254 HydrophobicContact CB-CD1 4.03Å; K246-Y254 HydrophobicContact CB-CE1 4.06Å |
| 247 | A | 89 | Confident | 89.4 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.033 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F243 E250 | F243-A247 HydrophobicContact CE1-CB 4.39Å; F243-A247 HydrophobicContact CZ-CB 4.43Å; F243-A247 WeakPolarHBondContact O-CB 3.39Å; F243-A247 PolarHBondContact O-N 3.42Å; A247-E250 PolarHBondContact O-N 3.17Å |
| 248 | K | 89.6 | Confident | 89.2 | Confident | 81 Ų | 81 | 62.7 Ų | 62.7 | 35% | 0.352 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.7 | -32.2 | 178.1 | -70.9 | 173.3 | -161.1 | 175.4 | 0 | 113.7 | W174 D175 F244 Q245 K246 E250 | W174-K248 HydrophobicContact CB-CD 4.41Å; W174-K248 HydrophobicContact CB-CG 4.03Å; W174-K248 HydrophobicContact CG-CG 4.27Å; D175-K248 VanDerWaalsContact OD1-CE 3.31Å; D175-K248 WeakPolarHBondContact OD1-CE 3.36Å; D175-K248 IonicContact OD1-NZ 2.78Å; D175-K248 PolarHBondContact OD1-NZ 3.14Å; F244-K248 WeakPolarHBondContact O-CB 3.33Å; F244-K248 WeakPolarHBondContact O-CG 3.29Å; F244-K248 PolarHBondContact O-N 3.42Å; Q245-K248 PolarHBondContact O-N 3.45Å; K246-K248 PolarHBondContact O-N 2.7Å; K248-E250 PolarHBondContact O-N 3.44Å |
| 249 | A | 87.7 | Confident | 89.2 | Confident | 75 Ų | 75 | 64.3 Ų | 64.3 | 62% | 0.62 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -4.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q245 K246 E251 | Q245-A249 WeakPolarHBondContact O-CB 3.4Å; Q245-A249 PolarHBondContact O-N 3.35Å; K246-A249 PolarHBondContact O-N 3.18Å; A249-E251 PolarHBondContact O-N 3.22Å |
| 250 | E | 80.4 | Confident | 89.2 | Confident | 133 Ų | 133 | 67.9 Ų | 67.9 | 62% | 0.621 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 44.2 | -172.9 | -64.4 | -172.2 | -178.9 | 0 | 0 | 111.5 | K246 A247 K248 E252 F255 | K246-E250 PolarHBondContact O-N 3.37Å; A247-E250 PolarHBondContact O-N 3.17Å; K248-E250 PolarHBondContact O-N 3.44Å; E250-E252 PolarHBondContact O-N 3.39Å; E250-F255 HydrophobicContact CG-CD1 4.27Å; E250-F255 HydrophobicContact CG-CE1 4.42Å |
| 251 | E | 77.7 | Confident | 89.1 | Confident | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 36% | 0.36 | S | S | . | . | trans | -53.3 | 117.8 | -177.7 | -171.2 | -179.5 | 174.4 | 0 | 0 | 109.4 | K246 A249 G253 Y254 F255 | K246-E251 WeakPolarHBondContact CD-OE2 3.45Å; K246-E251 WeakPolarHBondContact CE-OE2 3.37Å; K246-E251 WeakPolarHBondContact CG-OE2 3.47Å; K246-E251 IonicContact NZ-OE1 2.98Å; K246-E251 PolarHBondContact NZ-OE1 3.22Å; K246-E251 IonicContact NZ-OE2 2.77Å; K246-E251 PolarHBondContact NZ-OE2 3.23Å; K246-E251 PolarHBondContact O-N 2.89Å; A249-E251 PolarHBondContact O-N 3.22Å; E251-G253 PolarHBondContact O-N 3.37Å; E251-Y254 WeakPolarHBondContact O-CB 3.43Å; E251-Y254 PolarHBondContact O-N 3.38Å; E251-F255 PolarHBondContact O-N 2.94Å | ||
| 252 | E | 72 | Confident | 89.1 | Confident | 198 Ų | 198 | 66.3 Ų | 66.3 | 93% | 0.925 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 125.1 | -169.5 | -166 | 122.1 | -139.1 | 0 | 0 | 110.2 | E250 Y254 | E250-E252 PolarHBondContact O-N 3.39Å; E252-Y254 PolarHBondContact O-N 2.99Å |
| 253 | G | 80.8 | Confident | 89.3 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -35.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E251 A257 | E251-G253 PolarHBondContact O-N 3.37Å; G253-A257 WeakPolarHBondContact O-CB 3.47Å; G253-A257 PolarHBondContact O-N 2.91Å |
| 254 | Y | 85.3 | Confident | 89.5 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 18% | 0.184 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.8 | -48.6 | 177 | -174.3 | -97.6 | 0 | 0 | 0 | 111.5 | F224 M228 F243 K246 E251 E252 E256 A257 F258 | F224-Y254 HydrophobicContact CD1-CE2 4.24Å; F224-Y254 AromaticContact CD1-CZ 3.86Å; F224-Y254 HydrophobicContact CE1-CE2 4.46Å; M228-Y254 HydrophobicContact CE-CE2 4.24Å; M228-Y254 WeakPolarHBondContact CE-OH 3.49Å; F243-Y254 HydrophobicContact CD2-CE1 4.22Å; F243-Y254 WeakPolarHBondContact CD2-OH 3.4Å; F243-Y254 HydrophobicContact CE2-CE1 4.15Å; K246-Y254 HydrophobicContact CB-CD1 4.03Å; K246-Y254 HydrophobicContact CB-CE1 4.06Å; E251-Y254 WeakPolarHBondContact O-CB 3.43Å; E251-Y254 PolarHBondContact O-N 3.38Å; E252-Y254 PolarHBondContact O-N 2.99Å; Y254-E256 VanDerWaalsContact C-N 3.28Å; Y254-E256 PolarHBondContact O-N 3.35Å; Y254-A257 PolarHBondContact O-N 2.95Å; Y254-F258 PolarHBondContact O-N 3.04Å |
| 255 | F | 86.6 | Confident | 89.6 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 17% | 0.167 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.8 | -32.9 | 179.2 | -171.9 | -130.3 | 0 | 0 | 0 | 112 | W174 E250 E251 F258 K259 | W174-F255 HydrophobicContact CZ2-CE2 4.27Å; E250-F255 HydrophobicContact CG-CD1 4.27Å; E250-F255 HydrophobicContact CG-CE1 4.42Å; E251-F255 PolarHBondContact O-N 2.94Å; F255-F258 HydrophobicContact CD2-CD1 4.44Å; F255-F258 HydrophobicContact CE2-CD1 4.34Å; F255-F258 WeakPolarHBondContact O-CB 3.49Å; F255-F258 PolarHBondContact O-N 2.93Å; F255-K259 HydrophobicContact CE1-CD 4.35Å; F255-K259 VanDerWaalsContact CE1-NZ 3.28Å; F255-K259 VanDerWaalsContact CZ-CE 3.48Å; F255-K259 WeakPolarHBondContact O-CG 3.49Å; F255-K259 PolarHBondContact O-N 2.98Å |
| 256 | E | 90.6 | Very high | 89.8 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 44% | 0.444 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 174.6 | -171.5 | 53.3 | -146.3 | 0 | 0 | 111.6 | Y254 F258 K259 N260 | Y254-E256 VanDerWaalsContact C-N 3.28Å; Y254-E256 PolarHBondContact O-N 3.35Å; E256-F258 VanDerWaalsContact C-N 3.29Å; E256-F258 PolarHBondContact O-N 3.19Å; E256-K259 PolarHBondContact O-N 3.35Å; E256-N260 WeakPolarHBondContact O-CB 3.49Å; E256-N260 PolarHBondContact O-N 3.47Å; E256-N260 PolarHBondContact O-ND2 3.29Å; E256-N260 PolarHBondContact OE1-ND2 3.43Å |
| 257 | A | 90.9 | Very high | 90 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G253 Y254 E261 | G253-A257 WeakPolarHBondContact O-CB 3.47Å; G253-A257 PolarHBondContact O-N 2.91Å; Y254-A257 PolarHBondContact O-N 2.95Å; A257-E261 WeakPolarHBondContact O-CB 3.35Å; A257-E261 PolarHBondContact O-N 2.89Å |
| 258 | F | 92.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 175.1 | 175.9 | -91.7 | 0 | 0 | 0 | 112.5 | W174 H217 V220 V221 F224 F243 Y254 F255 E256 N260 E261 L262 | W174-F258 AromaticContact CH2-CE1 3.94Å; W174-F258 HydrophobicContact CH2-CE1 3.94Å; W174-F258 AromaticContact CH2-CZ 3.85Å; W174-F258 HydrophobicContact CH2-CZ 3.85Å; W174-F258 HydrophobicContact CZ2-CE1 4.49Å; H217-F258 AromaticContact CD2-CZ 3.96Å; H217-F258 AromaticContact NE2-CE1 3.88Å; H217-F258 AromaticContact NE2-CZ 3.85Å; V220-F258 HydrophobicContact CB-CE2 4.16Å; V220-F258 HydrophobicContact CG1-CD2 3.87Å; V220-F258 HydrophobicContact CG1-CE2 3.63Å; V220-F258 HydrophobicContact CG1-CZ 4.34Å; V221-F258 HydrophobicContact CG2-CE2 3.77Å; V221-F258 HydrophobicContact CG2-CZ 3.81Å; F224-F258 HydrophobicContact CD1-CD2 4.38Å; F224-F258 HydrophobicContact CD2-CD2 4.08Å; F224-F258 HydrophobicContact CE1-CB 4.09Å; F224-F258 HydrophobicContact CE2-CD2 4.19Å; F224-F258 HydrophobicContact CG-CD2 4.18Å; F224-F258 HydrophobicContact CZ-CB 4.11Å; F224-F258 HydrophobicContact CZ-CD2 4.42Å; F243-F258 HydrophobicContact CE2-CD2 4.36Å; F243-F258 HydrophobicContact CZ-CD2 4.23Å; F243-F258 HydrophobicContact CZ-CE2 4.12Å; Y254-F258 PolarHBondContact O-N 3.04Å; F255-F258 HydrophobicContact CD2-CD1 4.44Å; F255-F258 HydrophobicContact CE2-CD1 4.34Å; F255-F258 WeakPolarHBondContact O-CB 3.49Å; F255-F258 PolarHBondContact O-N 2.93Å; E256-F258 VanDerWaalsContact C-N 3.29Å; E256-F258 PolarHBondContact O-N 3.19Å; F258-N260 PolarHBondContact O-N 3.48Å; F258-E261 PolarHBondContact O-N 2.93Å; F258-L262 HydrophobicContact CE1-CD2 4.3Å; F258-L262 WeakPolarHBondContact O-CB 3.42Å; F258-L262 PolarHBondContact O-N 2.97Å |
| 259 | K | 93.6 | Very high | 90.4 | Very high | 93 Ų | 93 | 66 Ų | 66 | 40% | 0.404 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 177.6 | -74 | 177.5 | -177.5 | 164.9 | 0 | 112 | F255 E256 E261 L262 E263 | F255-K259 HydrophobicContact CE1-CD 4.35Å; F255-K259 VanDerWaalsContact CE1-NZ 3.28Å; F255-K259 VanDerWaalsContact CZ-CE 3.48Å; F255-K259 WeakPolarHBondContact O-CG 3.49Å; F255-K259 PolarHBondContact O-N 2.98Å; E256-K259 PolarHBondContact O-N 3.35Å; K259-E261 PolarHBondContact O-N 3.37Å; K259-L262 PolarHBondContact O-N 3.36Å; K259-E263 PolarHBondContact O-N 2.9Å |
| 260 | N | 94.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 65.9 Ų | 65.9 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 179 | -74.9 | -44.9 | 0 | 0 | 0 | 111.6 | E256 F258 L262 E263 A264 | E256-N260 WeakPolarHBondContact O-CB 3.49Å; E256-N260 PolarHBondContact O-N 3.47Å; E256-N260 PolarHBondContact O-ND2 3.29Å; E256-N260 PolarHBondContact OE1-ND2 3.43Å; F258-N260 PolarHBondContact O-N 3.48Å; N260-L262 VanDerWaalsContact C-N 3.35Å; N260-E263 PolarHBondContact O-N 3.46Å; N260-A264 VanDerWaalsContact O-CB 3.28Å; N260-A264 WeakPolarHBondContact O-CB 3.37Å; N260-A264 PolarHBondContact O-N 3.47Å |
| 261 | E | 96.6 | Very high | 91.2 | Very high | 67 Ų | 67 | 65 Ų | 65 | 31% | 0.313 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.8 | -35.5 | 176.5 | -176.1 | 52.7 | -150.1 | 0 | 0 | 112.1 | V220 F224 A257 F258 K259 A264 F265 R268 | V220-E261 HydrophobicContact CG1-CB 4.49Å; V220-E261 HydrophobicContact CG1-CG 4.22Å; F224-E261 HydrophobicContact CE2-CB 3.81Å; F224-E261 HydrophobicContact CE2-CG 3.86Å; F224-E261 HydrophobicContact CZ-CB 4.12Å; A257-E261 WeakPolarHBondContact O-CB 3.35Å; A257-E261 PolarHBondContact O-N 2.89Å; F258-E261 PolarHBondContact O-N 2.93Å; K259-E261 PolarHBondContact O-N 3.37Å; E261-A264 PolarHBondContact O-N 3.34Å; E261-F265 VanDerWaalsContact O-CB 3.24Å; E261-F265 WeakPolarHBondContact O-CB 3.49Å; E261-F265 PolarHBondContact O-N 3.37Å; E261-R268 IonicContact OE1-CZ 2.64Å; E261-R268 IonicContact OE1-NH1 3.41Å; E261-R268 PolarHBondContact OE1-NH1 3.43Å; E261-R268 IonicContact OE1-NH2 3.86Å; E261-R268 PolarHBondContact OE1-NH2 3.47Å; E261-R268 IonicContact OE2-NH1 3.98Å |
| 262 | L | 96.8 | Very high | 91.4 | Very high | 20 Ų | 20 | 65.3 Ų | 65.3 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 174.7 | 178.9 | 58.5 | 0 | 0 | 0 | 112.1 | A216 H217 V220 F258 K259 N260 F265 K266 | A216-L262 HydrophobicContact CB-CD1 4.08Å; H217-L262 HydrophobicContact CB-CD2 4.48Å; V220-L262 HydrophobicContact CB-CD1 4.37Å; V220-L262 HydrophobicContact CG2-CD1 3.93Å; F258-L262 HydrophobicContact CE1-CD2 4.3Å; F258-L262 WeakPolarHBondContact O-CB 3.42Å; F258-L262 PolarHBondContact O-N 2.97Å; K259-L262 PolarHBondContact O-N 3.36Å; N260-L262 VanDerWaalsContact C-N 3.35Å; L262-F265 PolarHBondContact O-N 3.48Å; L262-K266 HydrophobicContact CD1-CG 4.41Å; L262-K266 WeakPolarHBondContact O-CG 3.3Å; L262-K266 PolarHBondContact O-N 3.37Å |
| 263 | E | 97.8 | Very high | 91.6 | Very high | 90 Ų | 90 | 58 Ų | 58 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 176.4 | -68.7 | -53.6 | 142.3 | 0 | 0 | 112.2 | K259 N260 K266 S267 | K259-E263 PolarHBondContact O-N 2.9Å; N260-E263 PolarHBondContact O-N 3.46Å; E263-K266 VanDerWaalsContact CD-NZ 3.32Å; E263-K266 PolarHBondContact O-N 2.87Å; E263-K266 WeakPolarHBondContact OE1-CE 3.4Å; E263-K266 IonicContact OE1-NZ 3.96Å; E263-K266 PolarHBondContact OE1-NZ 2.89Å; E263-K266 WeakPolarHBondContact OE2-CE 3.49Å; E263-K266 IonicContact OE2-NZ 3.31Å; E263-K266 PolarHBondContact OE2-NZ 3.35Å; E263-S267 WeakPolarHBondContact O-CB 3.47Å; E263-S267 PolarHBondContact O-N 2.96Å; E263-S267 PolarHBondContact O-OG 3.41Å |
| 264 | A | 97.2 | Very high | 91.2 | Very high | 35 Ų | 35 | 62.9 Ų | 62.9 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N260 E261 S267 R268 | N260-A264 VanDerWaalsContact O-CB 3.28Å; N260-A264 WeakPolarHBondContact O-CB 3.37Å; N260-A264 PolarHBondContact O-N 3.47Å; E261-A264 PolarHBondContact O-N 3.34Å; A264-S267 PolarHBondContact O-N 2.93Å; A264-R268 WeakPolarHBondContact O-CG 3.32Å; A264-R268 PolarHBondContact O-N 2.88Å |
| 265 | F | 97.4 | Very high | 90.2 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 6% | 0.057 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 177.1 | 177.7 | -110.2 | 0 | 0 | 0 | 111.9 | I197 C200 A216 A219 V220 E261 L262 S267 R268 V269 | I197-F265 HydrophobicContact CB-CE2 4.46Å; I197-F265 HydrophobicContact CB-CZ 4.29Å; I197-F265 HydrophobicContact CG1-CE2 4.05Å; I197-F265 HydrophobicContact CG1-CZ 3.99Å; I197-F265 HydrophobicContact CG2-CE2 3.96Å; I197-F265 HydrophobicContact CG2-CZ 4.13Å; C200-F265 HydrophobicContact CB-CE1 4.1Å; C200-F265 HydrophobicContact CB-CZ 4.02Å; A216-F265 HydrophobicContact CB-CD1 3.77Å; A216-F265 HydrophobicContact CB-CE1 3.7Å; A219-F265 HydrophobicContact CB-CE1 4.23Å; V220-F265 HydrophobicContact CG2-CB 4.01Å; V220-F265 HydrophobicContact CG2-CD1 3.91Å; V220-F265 HydrophobicContact CG2-CG 4.08Å; E261-F265 VanDerWaalsContact O-CB 3.24Å; E261-F265 WeakPolarHBondContact O-CB 3.49Å; E261-F265 PolarHBondContact O-N 3.37Å; L262-F265 PolarHBondContact O-N 3.48Å; F265-S267 VanDerWaalsContact C-N 3.26Å; F265-S267 PolarHBondContact O-N 2.99Å; F265-R268 PolarHBondContact O-N 3.46Å; F265-R268 VanDerWaalsContact O-N 3.14Å; F265-V269 HydrophobicContact CD2-CG2 4.38Å; F265-V269 HydrophobicContact CE1-CG2 4.04Å; F265-V269 HydrophobicContact CE2-CG2 3.89Å; F265-V269 HydrophobicContact CZ-CG2 3.7Å; F265-V269 WeakPolarHBondContact O-CG2 3.29Å; F265-V269 PolarHBondContact O-N 3.31Å |
| 266 | K | 96.8 | Very high | 88.6 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.6 | -41.5 | 174.8 | -72.3 | -172.1 | -62.1 | -179.9 | 0 | 111.8 | M212 E213 A216 L262 E263 V269 R270 | M212-K266 HydrophobicContact SD-CG 4.32Å; E213-K266 HydrophobicContact CB-CD 4.03Å; E213-K266 HydrophobicContact CG-CD 3.71Å; E213-K266 IonicContact OE2-NZ 3.45Å; E213-K266 PolarHBondContact OE2-NZ 2.94Å; A216-K266 HydrophobicContact CB-CG 3.97Å; L262-K266 HydrophobicContact CD1-CG 4.41Å; L262-K266 WeakPolarHBondContact O-CG 3.3Å; L262-K266 PolarHBondContact O-N 3.37Å; E263-K266 VanDerWaalsContact CD-NZ 3.32Å; E263-K266 PolarHBondContact O-N 2.87Å; E263-K266 WeakPolarHBondContact OE1-CE 3.4Å; E263-K266 IonicContact OE1-NZ 3.96Å; E263-K266 PolarHBondContact OE1-NZ 2.89Å; E263-K266 WeakPolarHBondContact OE2-CE 3.49Å; E263-K266 IonicContact OE2-NZ 3.31Å; E263-K266 PolarHBondContact OE2-NZ 3.35Å; K266-V269 PolarHBondContact O-N 3.47Å; K266-R270 VanDerWaalsContact O-CG 3.32Å; K266-R270 WeakPolarHBondContact O-CG 3.45Å; K266-R270 PolarHBondContact O-N 3.35Å |
| 267 | S | 95.7 | Very high | 86.5 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | E263 A264 F265 V269 R270 L271 | E263-S267 WeakPolarHBondContact O-CB 3.47Å; E263-S267 PolarHBondContact O-N 2.96Å; E263-S267 PolarHBondContact O-OG 3.41Å; A264-S267 PolarHBondContact O-N 2.93Å; F265-S267 VanDerWaalsContact C-N 3.26Å; F265-S267 PolarHBondContact O-N 2.99Å; S267-V269 PolarHBondContact O-N 3.36Å; S267-R270 PolarHBondContact O-N 3.04Å; S267-L271 WeakPolarHBondContact O-CB 3.42Å; S267-L271 PolarHBondContact O-N 2.93Å |
| 268 | R | 94.4 | Very high | 84.1 | Confident | 118 Ų | 118 | 74 Ų | 74 | 45% | 0.445 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 175.3 | -70.5 | -173.9 | -55.9 | -100.6 | 8.2 | 112.1 | E261 A264 F265 Y272 | E261-R268 IonicContact OE1-CZ 2.64Å; E261-R268 IonicContact OE1-NH1 3.41Å; E261-R268 PolarHBondContact OE1-NH1 3.43Å; E261-R268 IonicContact OE1-NH2 3.86Å; E261-R268 PolarHBondContact OE1-NH2 3.47Å; E261-R268 IonicContact OE2-NH1 3.98Å; A264-R268 WeakPolarHBondContact O-CG 3.32Å; A264-R268 PolarHBondContact O-N 2.88Å; F265-R268 PolarHBondContact O-N 3.46Å; F265-R268 VanDerWaalsContact O-N 3.14Å; R268-Y272 WeakPolarHBondContact O-CB 3.43Å; R268-Y272 PolarHBondContact O-N 3.41Å |
| 269 | V | 92.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | C200 F201 E204 M212 F265 K266 S267 Y272 A273 | C200-V269 HydrophobicContact CB-CG1 4.42Å; C200-V269 HydrophobicContact CB-CG2 4.21Å; F201-V269 HydrophobicContact CD1-CB 4.43Å; F201-V269 HydrophobicContact CD1-CG1 4.19Å; F201-V269 HydrophobicContact CD1-CG2 4.28Å; F201-V269 HydrophobicContact CE1-CB 4.3Å; F201-V269 HydrophobicContact CE1-CG2 4.01Å; F201-V269 HydrophobicContact CE2-CG2 4.34Å; F201-V269 HydrophobicContact CZ-CG2 4.04Å; E204-V269 HydrophobicContact CB-CG1 3.61Å; E204-V269 HydrophobicContact CG-CG1 3.98Å; M212-V269 HydrophobicContact CE-CG1 4.33Å; M212-V269 HydrophobicContact CG-CG1 3.93Å; M212-V269 HydrophobicContact SD-CB 4.4Å; M212-V269 HydrophobicContact SD-CG1 4.03Å; F265-V269 HydrophobicContact CD2-CG2 4.38Å; F265-V269 HydrophobicContact CE1-CG2 4.04Å; F265-V269 HydrophobicContact CE2-CG2 3.89Å; F265-V269 HydrophobicContact CZ-CG2 3.7Å; F265-V269 WeakPolarHBondContact O-CG2 3.29Å; F265-V269 PolarHBondContact O-N 3.31Å; K266-V269 PolarHBondContact O-N 3.47Å; S267-V269 PolarHBondContact O-N 3.36Å; V269-Y272 WeakPolarHBondContact O-CB 3.39Å; V269-Y272 PolarHBondContact O-N 3.29Å; V269-A273 PolarHBondContact O-N 3.49Å |
| 270 | R | 93.4 | Very high | 78.7 | Confident | 72 Ų | 72 | 81 Ų | 81 | 27% | 0.272 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 177.2 | -69 | 169.4 | -177.2 | 152.4 | -3 | 112.6 | E204 M212 E213 K266 S267 Y272 A273 Q274 | E204-R270 WeakPolarHBondContact OE1-CG 3.41Å; M212-R270 HydrophobicContact CE-CG 4.1Å; E213-R270 IonicContact OE1-CZ 3.16Å; E213-R270 IonicContact OE1-NH2 2.77Å; E213-R270 PolarHBondContact OE1-NH2 3.06Å; E213-R270 IonicContact OE2-NH2 3.56Å; K266-R270 VanDerWaalsContact O-CG 3.32Å; K266-R270 WeakPolarHBondContact O-CG 3.45Å; K266-R270 PolarHBondContact O-N 3.35Å; S267-R270 PolarHBondContact O-N 3.04Å; R270-Y272 VanDerWaalsContact C-N 3.29Å; R270-Y272 PolarHBondContact O-N 3.1Å; R270-A273 PolarHBondContact O-N 3.29Å; R270-Q274 WeakPolarHBondContact O-CG 3.36Å; R270-Q274 PolarHBondContact O-N 3.33Å |
| 271 | L | 90.3 | Very high | 75.8 | Confident | 116 Ų | 116 | 83 Ų | 83 | 61% | 0.607 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.4 | -39.9 | 178.6 | -176.9 | 65.2 | 0 | 0 | 0 | 111.2 | S267 A273 Q274 S275 | S267-L271 WeakPolarHBondContact O-CB 3.42Å; S267-L271 PolarHBondContact O-N 2.93Å; L271-A273 PolarHBondContact O-N 3.4Å; L271-Q274 PolarHBondContact O-N 2.92Å; L271-S275 WeakPolarHBondContact O-CB 3.49Å; L271-S275 PolarHBondContact O-N 2.94Å; L271-S275 VanDerWaalsContact O-N 3.08Å; L271-S275 PolarHBondContact O-OG 2.95Å |
| 272 | Y | 82 | Confident | 72.9 | Confident | 93 Ų | 93 | 85 Ų | 85 | 37% | 0.365 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 177.2 | -174.7 | -96.3 | 0 | 0 | 0 | 112.1 | F201 R268 V269 R270 Q274 S275 F278 | F201-Y272 AromaticContact CD1-CD1 3.49Å; F201-Y272 HydrophobicContact CD1-CD1 3.49Å; F201-Y272 VanDerWaalsContact CD1-CD1 3.49Å; F201-Y272 HydrophobicContact CD1-CE1 4.15Å; F201-Y272 AromaticContact CD1-CG 3.78Å; F201-Y272 HydrophobicContact CD1-CG 3.78Å; F201-Y272 AromaticContact CE1-CD1 3.85Å; F201-Y272 HydrophobicContact CE1-CD1 3.85Å; F201-Y272 HydrophobicContact CE1-CD2 4.26Å; F201-Y272 AromaticContact CE1-CG 3.61Å; F201-Y272 HydrophobicContact CE1-CG 3.61Å; F201-Y272 HydrophobicContact CG-CD1 4.48Å; R268-Y272 WeakPolarHBondContact O-CB 3.43Å; R268-Y272 PolarHBondContact O-N 3.41Å; V269-Y272 WeakPolarHBondContact O-CB 3.39Å; V269-Y272 PolarHBondContact O-N 3.29Å; R270-Y272 VanDerWaalsContact C-N 3.29Å; R270-Y272 PolarHBondContact O-N 3.1Å; Y272-Q274 VanDerWaalsContact C-N 3.26Å; Y272-Q274 PolarHBondContact O-N 3.48Å; Y272-S275 WeakPolarHBondContact CA-OG 3.46Å; Y272-S275 PolarHBondContact O-N 3.42Å; Y272-S275 VanDerWaalsContact O-N 3.13Å; Y272-S275 PolarHBondContact O-OG 3.03Å; Y272-F278 HydrophobicContact CE1-CD2 4.28Å; Y272-F278 WeakPolarHBondContact OH-CD2 3.31Å; Y272-F278 WeakPolarHBondContact OH-CE2 3.4Å |
| 273 | A | 76.3 | Confident | 70.1 | Confident | 45 Ų | 45 | 90 Ų | 90 | 37% | 0.372 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -32.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | E204 V269 R270 L271 | E204-A273 HydrophobicContact CB-CB 4.47Å; E204-A273 HydrophobicContact CG-CB 3.61Å; V269-A273 PolarHBondContact O-N 3.49Å; R270-A273 PolarHBondContact O-N 3.29Å; L271-A273 PolarHBondContact O-N 3.4Å |
| 274 | Q | 73.1 | Confident | 66.9 | Low | 150 Ų | 150 | 92.2 Ų | 92.2 | 70% | 0.701 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -76.5 | -23 | 176.9 | -66.1 | 170.9 | 38 | 0 | 0 | 113.3 | R270 L271 Y272 | R270-Q274 WeakPolarHBondContact O-CG 3.36Å; R270-Q274 PolarHBondContact O-N 3.33Å; L271-Q274 PolarHBondContact O-N 2.92Å; Y272-Q274 VanDerWaalsContact C-N 3.26Å; Y272-Q274 PolarHBondContact O-N 3.48Å |
| 275 | S | 65 | Low | 63.9 | Low | 74 Ų | 74 | 98 Ų | 98 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -3.9 | -172.7 | 66.7 | 0 | 0 | 0 | 0 | 116 | L271 Y272 | L271-S275 WeakPolarHBondContact O-CB 3.49Å; L271-S275 PolarHBondContact O-N 2.94Å; L271-S275 VanDerWaalsContact O-N 3.08Å; L271-S275 PolarHBondContact O-OG 2.95Å; Y272-S275 WeakPolarHBondContact CA-OG 3.46Å; Y272-S275 PolarHBondContact O-N 3.42Å; Y272-S275 VanDerWaalsContact O-N 3.13Å; Y272-S275 PolarHBondContact O-OG 3.03Å |
| 276 | Q | 53 | Low | 60.8 | Low | 144 Ų | 144 | 104.3 Ų | 104.3 | 67% | 0.673 | 55% | 0.548 | S | S | * | . | trans | 41.4 | 76.8 | 170 | -156.2 | 154.8 | 30.6 | 0 | 0 | 116.6 | ||||
| 277 | S | 44.8 | Very low | 57.7 | Low | 94 Ų | 94 | 109 Ų | 109 | 66% | 0.657 | 58% | 0.577 | S | S | * | * | trans | -127.2 | 19.7 | 154.9 | 74.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 278 | F | 42.2 | Very low | 54.6 | Low | 151 Ų | 151 | 111.4 Ų | 111.4 | 66% | 0.662 | 59% | 0.591 | S | S | * | * | trans | -117.5 | 99.1 | 163.9 | -94.2 | -102.7 | 0 | 0 | 0 | 108.8 | Y272 P280 | Y272-F278 HydrophobicContact CE1-CD2 4.28Å; Y272-F278 WeakPolarHBondContact OH-CD2 3.31Å; Y272-F278 WeakPolarHBondContact OH-CE2 3.4Å; F278-P280 WeakPolarHBondContact O-CD 3.39Å | ||
| 279 | Q | 36.5 | Very low | 51.4 | Low | 152 Ų | 152 | 114.1 Ų | 114.1 | 71% | 0.71 | 61% | 0.609 | S | S | * | * | trans | -68.9 | 119.6 | 163.5 | -70 | -69.8 | -17.4 | 0 | 0 | 107.3 | V281 | Q279-V281 PolarHBondContact O-N 2.91Š| ||
| 280 | P | 36.2 | Very low | 48.3 | Very low | 94 Ų | 94 | 120.4 Ų | 120.4 | 61% | 0.61 | 65% | 0.653 | S | S | * | * | trans | -65.7 | 124.6 | 164.9 | 27.1 | -28.3 | 0 | 0 | 0 | 106.9 | F278 T282 | F278-P280 WeakPolarHBondContact O-CD 3.39Å; P280-T282 VanDerWaalsContact C-N 3.27Å; P280-T282 PolarHBondContact O-N 3.35Å | ||
| 281 | V | 33.9 | Very low | 45.1 | Very low | 133 Ų | 133 | 120.1 Ų | 120.1 | 81% | 0.806 | 67% | 0.672 | S | S | * | * | trans | -61.5 | 99.5 | 166.3 | 171.9 | 0 | 0 | 0 | 0 | 106.4 | Q279 V283 | Q279-V281 PolarHBondContact O-N 2.91Å; V281-V283 HydrophobicContact CG1-CG2 4.35Å; V281-V283 PolarHBondContact O-N 3.5Å | ||
| 282 | T | 35.7 | Very low | 42.2 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | trans | -71 | 110.2 | 163.1 | 38.4 | 0 | 0 | 0 | 0 | 106 | P280 Q284 | P280-T282 VanDerWaalsContact C-N 3.27Å; P280-T282 PolarHBondContact O-N 3.35Å; T282-Q284 PolarHBondContact O-N 2.9Å | ||
| 283 | V | 36.6 | Very low | 39.5 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 75% | 0.745 | 70% | 0.703 | S | S | * | * | trans | -71.4 | 76.9 | 161.9 | -178.1 | 0 | 0 | 0 | 0 | 106.2 | V281 N285 | V281-V283 HydrophobicContact CG1-CG2 4.35Å; V281-V283 PolarHBondContact O-N 3.5Å; V283-N285 PolarHBondContact O-N 3.25Å | ||
| 284 | Q | 31.7 | Very low | 37.1 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 65% | 0.645 | 73% | 0.728 | S | S | * | * | trans | -77.9 | 112.3 | 168.1 | -159.6 | 175.3 | 75.1 | 0 | 0 | 105.6 | T282 H286 | T282-Q284 PolarHBondContact O-N 2.9Å; Q284-H286 VanDerWaalsContact C-N 3.28Å; Q284-H286 PolarHBondContact O-CE1 3.36Å; Q284-H286 PolarHBondContact O-N 3.31Å; Q284-H286 PolarHBondContact O-ND1 3.03Å | ||
| 285 | N | 34.2 | Very low | 35 | Very low | 156 Ų | 156 | 125.6 Ų | 125.6 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | -65 | 92.9 | 165.5 | -78.8 | -57.3 | 0 | 0 | 0 | 107.8 | V283 | V283-N285 PolarHBondContact O-N 3.25Š| ||
| 286 | H | 31.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 68% | 0.676 | 75% | 0.746 | S | S | * | * | trans | -101.4 | 104.7 | 169.4 | 43.6 | -78.3 | 0 | 0 | 0 | 108.5 | Q284 | Q284-H286 VanDerWaalsContact C-N 3.28Å; Q284-H286 PolarHBondContact O-CE1 3.36Å; Q284-H286 PolarHBondContact O-N 3.31Å; Q284-H286 PolarHBondContact O-ND1 3.03Å | ||
| 287 | V | 33.2 | Very low | 31.9 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | -55.8 | 130.7 | 160.3 | 175.1 | 0 | 0 | 0 | 0 | 107.8 | H289 | V287-H289 PolarHBondContact O-N 3.49Š| ||
| 288 | P | 30.3 | Very low | 31 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -78.8 | 122.2 | -176.3 | 30.1 | -30.5 | 0 | 0 | 0 | 109.9 | ||||
| 289 | H | 27.3 | Very low | 30.3 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | -124.3 | 125.9 | 161.8 | -83.3 | -61.2 | 0 | 0 | 0 | 111.2 | V287 | V287-H289 PolarHBondContact O-N 3.49Š| ||
| 290 | S | 27.4 | Very low | 30.5 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -41.9 | 151.7 | 177 | -65.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 291 | G | 26.3 | Very low | 29.9 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | 154.1 | 102.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 292 | V | 29.1 | Very low | 29.5 | Very low | 151 Ų | 151 | 127 Ų | 127 | 92% | 0.915 | 77% | 0.772 | S | S | * | * | trans | 57.9 | 125.7 | 135.2 | -171.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 293 | G | 24.5 | Very low | 29.1 | Very low | 68 Ų | 68 | 128.1 Ų | 128.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -77.3 | 178 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 294 | C | 26.5 | Very low | 28.7 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 90% | 0.899 | 77% | 0.769 | S | S | * | * | trans | -163.5 | 159.4 | 146.7 | -125.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 295 | I | 29.4 | Very low | 29.3 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -82.3 | 144.2 | -160.6 | -71.2 | 154.2 | 0 | 0 | 0 | 113.3 | ||||
| 296 | G | 25.3 | Very low | 28.9 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | 84.2 | 118.5 | 134.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 297 | S | 26.9 | Very low | 28.8 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | 176.4 | 121 | 98.6 | -155.4 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 298 | L | 27.3 | Very low | 28.7 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -67.3 | 158 | 150.9 | -72.3 | 155.7 | 0 | 0 | 0 | 107.2 | ||||
| 299 | E | 27.5 | Very low | 28.6 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | cis | 179.1 | -166 | 28.9 | -128.7 | 178.1 | 137.5 | 0 | 0 | 104.8 | ||||
| 300 | P | 40.1 | Very low | 28.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | cis | -134.8 | 156 | -29.6 | 29.9 | -9.3 | 0 | 0 | 0 | 114.5 | ||||
| 301 | L | 23.1 | Very low | 28.7 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | 51.3 | 126.1 | 128.2 | -149.9 | 76.3 | 0 | 0 | 0 | 121.9 | Q303 | L301-Q303 HydrophobicContact CD1-CG 3.72Å; L301-Q303 HydrophobicContact CD2-CG 3.91Å; L301-Q303 HydrophobicContact CG-CG 3.79Å | |||
| 302 | S | 25.4 | Very low | 28.8 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -137.8 | 127.6 | 133.7 | -168.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 303 | Q | 28.2 | Very low | 28.7 | Very low | 134 Ų | 134 | 138 Ų | 138 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | trans | -97.3 | 128.3 | -169.3 | -85.9 | 171.3 | -22.8 | 0 | 0 | 112 | L301 | L301-Q303 HydrophobicContact CD1-CG 3.72Å; L301-Q303 HydrophobicContact CD2-CG 3.91Å; L301-Q303 HydrophobicContact CG-CG 3.79Å | ||
| 304 | N | 27.7 | Very low | 29.1 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 69.1 | 164.6 | 130.1 | -76.6 | -47.5 | 0 | 0 | 0 | 121.5 | ||||
| 305 | P | 45.1 | Very low | 29.4 | Very low | 96 Ų | 96 | 140 Ų | 140 | 62% | 0.623 | 76% | 0.763 | S | S | * | * | cis | -139.4 | -170.1 | -27.6 | 33.1 | -11.7 | 0 | 0 | 0 | 114.3 | ||||
| 306 | D | 24.9 | Very low | 29.5 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 106.8 | 99.7 | 155.3 | -58.1 | -28.8 | 0 | 0 | 0 | 116.8 | ||||
| 307 | Y | 28.9 | Very low | 29.7 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | -177.4 | 118.1 | 114.7 | -111.1 | -94.3 | 0 | 0 | 0 | 112.3 | |||||
| 308 | L | 32.4 | Very low | 29.8 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 40.9 | 99.7 | 148.8 | -59 | 178.4 | 0 | 0 | 0 | 121.4 | ||||
| 309 | Q | 28.3 | Very low | 30.1 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -34.6 | 117.7 | 148.5 | -166.1 | 168.9 | 40.5 | 0 | 0 | 115.5 | ||||
| 310 | Y | 27.9 | Very low | 30.2 | Very low | 229 Ų | 229 | 141.7 Ų | 141.7 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | -130.2 | 108.8 | 149.4 | -110 | -89.5 | 0 | 0 | 0 | 108.9 | ||||
| 311 | S | 28.7 | Very low | 29.8 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | trans | -78 | 126.9 | -179.3 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 312 | I | 28.7 | Very low | 30.2 | Very low | 162 Ų | 162 | 142 Ų | 142 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -127 | 101.2 | 153.7 | -58.6 | 178.2 | 0 | 0 | 0 | 106.9 | ||||
| 313 | N | 26.9 | Very low | 30.6 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -98.1 | 118.2 | 164.7 | -79 | -54.3 | 0 | 0 | 0 | 107.9 | ||||
| 314 | T | 31.3 | Very low | 30.8 | Very low | 130 Ų | 130 | 143 Ų | 143 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | trans | -174.5 | 155 | 145.4 | 10.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 315 | P | 34.3 | Very low | 31.1 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | -107.6 | 151.1 | -126.9 | 14.6 | 7.5 | 0 | 0 | 0 | 114.1 | C317 | P315-C317 PolarHBondContact O-N 3.38Š| |||
| 316 | L | 30.9 | Very low | 30.5 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 116.6 | 169.1 | -168.7 | 73.2 | 0 | 0 | 0 | 109.8 | S318 | L316-S318 PolarHBondContact O-N 3.14Š|
| 317 | C | 30.1 | Very low | 31.4 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 117.7 | 172.1 | -75.4 | 0 | 0 | 0 | 0 | 109.8 | P315 | P315-C317 PolarHBondContact O-N 3.38Š|
| 318 | S | 29 | Very low | 31.8 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 118 | 173.6 | -162.1 | 0 | 0 | 0 | 0 | 109.5 | L316 N320 | L316-S318 PolarHBondContact O-N 3.14Å; S318-N320 PolarHBondContact O-N 3.44Å |
| 319 | L | 33.3 | Very low | 32.2 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -84 | 97.3 | 168.6 | -90.8 | 155.3 | 0 | 0 | 0 | 108.3 | ||||
| 320 | N | 28.9 | Very low | 33 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -80.8 | 115.1 | 162.2 | -77.7 | -32.8 | 0 | 0 | 0 | 108.4 | S318 | S318-N320 PolarHBondContact O-N 3.44Š| ||
| 321 | S | 31.4 | Very low | 34.4 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -80.9 | 121.3 | 165.2 | 53.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 322 | V | 31.6 | Very low | 35.5 | Very low | 129 Ų | 129 | 150.2 Ų | 150.2 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | trans | -83.9 | 111.9 | 168 | 166.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 323 | V | 34.1 | Very low | 36.4 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -84.7 | 123.4 | 164.5 | 168.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 324 | H | 31.6 | Very low | 37.5 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -155.9 | 142.2 | 156.8 | -94.7 | -58.3 | 0 | 0 | 0 | 106.9 | ||||
| 325 | K | 34.8 | Very low | 38.3 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 76% | 0.761 | 83% | 0.827 | S | S | * | * | cis | -163.3 | 131.4 | -22.9 | -141.8 | -173.7 | 177.9 | -173.9 | 0 | 101.5 | ||||
| 326 | E | 33.5 | Very low | 38.5 | Very low | 192 Ų | 192 | 154.2 Ų | 154.2 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -68.7 | 135.5 | 175.2 | -64.3 | 162.2 | 154.5 | 0 | 0 | 108.8 | ||||
| 327 | D | 43 | Very low | 38.9 | Very low | 162 Ų | 162 | 153 Ų | 153 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -115.8 | 136.5 | 164.9 | -96.3 | -23 | 0 | 0 | 0 | 108.9 | ||||
| 328 | D | 37.1 | Very low | 39.4 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | -67.6 | 151.3 | -163.3 | -82.2 | -39.4 | 0 | 0 | 0 | 117.2 | ||||
| 329 | D | 41.3 | Very low | 40.1 | Very low | 139 Ų | 139 | 157.8 Ų | 157.8 | 74% | 0.743 | 83% | 0.833 | S | S | * | * | trans | 36.2 | 120.4 | 135.7 | -66.9 | -32.4 | 0 | 0 | 0 | 121.4 | ||||
| 330 | K | 45.4 | Very low | 40.5 | Very low | 210 Ų | 210 | 156.9 Ų | 156.9 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | trans | -149.4 | 114.2 | 132.7 | -153.3 | 168.6 | -177 | 177.9 | 0 | 113 | ||||
| 331 | M | 57.5 | Low | 41.2 | Very low | 169 Ų | 169 | 157.9 Ų | 157.9 | 83% | 0.833 | 83% | 0.834 | S | S | * | * | trans | -63 | 146.4 | 168.4 | -58 | -170.8 | -170.1 | 0 | 0 | 112.4 | ||||
| 332 | M | 51.8 | Low | 42 | Very low | 177 Ų | 177 | 161.4 Ų | 161.4 | 87% | 0.872 | 84% | 0.839 | S | S | * | * | -164.9 | 117.2 | 127.4 | -110.9 | -166.5 | -179.1 | 0 | 0 | 112.9 | |||||
| 333 | D | 46.9 | Very low | 42.7 | Very low | 140 Ų | 140 | 163.9 Ų | 163.9 | 75% | 0.749 | 84% | 0.843 | S | S | * | * | trans | 32.8 | 136 | 138 | -64.7 | -41.7 | 0 | 0 | 0 | 124.5 | ||||
| 334 | T | 50.8 | Low | 43.5 | Very low | 124 Ų | 124 | 167.1 Ų | 167.1 | 76% | 0.761 | 85% | 0.85 | S | S | * | * | trans | -17.4 | 137.1 | 150.9 | 45.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 335 | V | 48.1 | Very low | 44.6 | Very low | 216 Ų | 216 | 168 Ų | 168 | 100% | 1.309 | 86% | 0.861 | S | S | * | * | -156.8 | 0 | 93.4 | 161.9 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 335 of 335 residues in 83.9 ms
(Link to these results)