| 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 | L | 46.3 | Very low | 44.6 | Very low | 231 Ų | 231 | 169.5 Ų | 169.5 | 100% | 1.209 | 85% | 0.853 | S | S | * | * | 0 | 128.7 | 0 | -122.1 | 61.5 | 0 | 0 | 0 | 108.5 | R3 | L1-R3 PolarHBondContact O-N 3.34Š| |||
| 2 | K | 47.3 | Very low | 44.8 | Very low | 196 Ų | 196 | 167.2 Ų | 167.2 | 85% | 0.852 | 85% | 0.854 | S | S | * | * | trans | -41 | 123 | -163.3 | -78.9 | 179.3 | 161.8 | 177.7 | 0 | 115.2 | ||||
| 3 | R | 41.8 | Very low | 45 | Very low | 243 Ų | 243 | 168.5 Ų | 168.5 | 92% | 0.917 | 86% | 0.858 | S | S | * | * | trans | -122.3 | 102.5 | 148.5 | -78.8 | -175.7 | 176.9 | 166.8 | -0.6 | 107.7 | L1 K5 | L1-R3 PolarHBondContact O-N 3.34Å; R3-K5 PolarHBondContact O-N 3.16Å | ||
| 4 | E | 40.9 | Very low | 45.2 | Very low | 169 Ų | 169 | 163.5 Ų | 163.5 | 79% | 0.79 | 86% | 0.855 | S | S | * | * | trans | -61.1 | 117.3 | 175.2 | -165.5 | 150.1 | 76.7 | 0 | 0 | 109 | ||||
| 5 | K | 45.2 | Very low | 44.9 | Very low | 213 Ų | 213 | 158.9 Ų | 158.9 | 93% | 0.926 | 85% | 0.85 | S | S | * | * | trans | -94.9 | 105.1 | 166.8 | -80.8 | -174.3 | 176.7 | -174.5 | 0 | 106.8 | R3 | R3-K5 PolarHBondContact O-N 3.16Š| ||
| 6 | S | 43.1 | Very low | 45 | Very low | 105 Ų | 105 | 157.2 Ų | 157.2 | 73% | 0.734 | 85% | 0.847 | S | S | * | * | trans | -106.9 | 133.1 | 173.7 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 7 | S | 44.1 | Very low | 45.1 | Very low | 97 Ų | 97 | 155.6 Ų | 155.6 | 68% | 0.678 | 84% | 0.844 | S | S | * | * | trans | 87.8 | 122.7 | 155.9 | -128.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 8 | P | 50.6 | Low | 45 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | -117.2 | 126.4 | 129.7 | 33.2 | -21.2 | 0 | 0 | 0 | 108.6 | |||||
| 9 | N | 38.8 | Very low | 45 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 83% | 0.829 | 83% | 0.833 | S | S | * | * | trans | -149 | 103.8 | 149.4 | -89.2 | -45.6 | 0 | 0 | 0 | 109.2 | A11 | N9-A11 PolarHBondContact O-N 3.49Š| ||
| 10 | R | 46.2 | Very low | 45 | Very low | 248 Ų | 248 | 152.7 Ų | 152.7 | 94% | 0.936 | 84% | 0.835 | S | S | * | * | trans | -67.7 | 114.6 | 162.4 | 171 | 177.6 | 153 | -167.1 | -5.8 | 107 | ||||
| 11 | A | 46.2 | Very low | 45.2 | Very low | 91 Ų | 91 | 151.4 Ų | 151.4 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -126.4 | 134.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | N9 | N9-A11 PolarHBondContact O-N 3.49Š| ||
| 12 | T | 46.6 | Very low | 45.4 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -65.1 | 159.4 | -172 | 9.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 13 | M | 48.3 | Very low | 45.5 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -66 | 159.9 | -179.7 | -66.2 | -167.8 | 179.3 | 0 | 0 | 114.5 | ||||
| 14 | A | 46.8 | Very low | 46.3 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 74.1 | 108.4 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 15 | A | 41.2 | Very low | 47 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | 171.8 | 96.1 | 101.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | T17 | A15-T17 PolarHBondContact O-N 2.98Š| |||
| 16 | V | 45.9 | Very low | 48 | Very low | 132 Ų | 132 | 133 Ų | 133 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -81 | 109.2 | 163.9 | 57.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 17 | T | 46.7 | Very low | 48.9 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | -136.8 | 77 | 156.9 | 57.2 | 0 | 0 | 0 | 0 | 107.6 | A15 | A15-T17 PolarHBondContact O-N 2.98Š| ||
| 18 | S | 44.3 | Very low | 49.5 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -75.2 | 126.7 | 155.1 | -62.9 | 0 | 0 | 0 | 0 | 106.9 | E20 | S18-E20 VanDerWaalsContact C-N 3.26Å; S18-E20 PolarHBondContact O-N 3.5Å | ||
| 19 | P | 45.2 | Very low | 49.5 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 90.7 | 157.3 | 30 | -28.2 | 0 | 0 | 0 | 107.1 | T21 | P19-T21 PolarHBondContact O-N 3.27Š| ||
| 20 | E | 44.9 | Very low | 50.1 | Low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -67.7 | 85.3 | 161.6 | -178.4 | 156 | 72.5 | 0 | 0 | 107.6 | S18 S22 | S18-E20 VanDerWaalsContact C-N 3.26Å; S18-E20 PolarHBondContact O-N 3.5Å; E20-S22 VanDerWaalsContact C-N 3.34Å; E20-S22 PolarHBondContact O-N 2.86Å | ||
| 21 | T | 49.3 | Very low | 50.4 | Low | 126 Ų | 126 | 136.3 Ų | 136.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -75.6 | 93.9 | 170.1 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | P19 | P19-T21 PolarHBondContact O-N 3.27Š| ||
| 22 | S | 49.8 | Very low | 50.4 | Low | 84 Ų | 84 | 138.1 Ų | 138.1 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | trans | -47.1 | 124.6 | 165.9 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | E20 Q24 | E20-S22 VanDerWaalsContact C-N 3.34Å; E20-S22 PolarHBondContact O-N 2.86Å; S22-Q24 PolarHBondContact O-N 3.17Å | ||
| 23 | P | 49.1 | Very low | 50.3 | Low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | trans | -73.9 | 96.1 | 178.5 | 29.7 | -30.7 | 0 | 0 | 0 | 107.9 | ||||
| 24 | Q | 58.3 | Low | 49.9 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -48.9 | 138.3 | 159.7 | -68.4 | -80.4 | -23.1 | 0 | 0 | 108.2 | S22 R26 | S22-Q24 PolarHBondContact O-N 3.17Å; Q24-R26 PolarHBondContact O-N 3.03Å | ||
| 25 | P | 56 | Low | 49.6 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -68.2 | 87 | 176.6 | 29.3 | -32.6 | 0 | 0 | 0 | 108.2 | V27 | P25-V27 PolarHBondContact O-N 2.73Š| ||
| 26 | R | 66.5 | Low | 49.3 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -80.1 | 112.1 | 176.5 | -168.8 | 157.6 | -145 | -125.1 | -1.7 | 106.8 | Q24 Y28 | Q24-R26 PolarHBondContact O-N 3.03Å; R26-Y28 HydrophobicContact CB-CD1 4.41Å; R26-Y28 HydrophobicContact CB-CE1 3.79Å; R26-Y28 HydrophobicContact CG-CD1 4.36Å; R26-Y28 HydrophobicContact CG-CE1 4.09Å; R26-Y28 WeakPolarHBondContact O-CD2 3.41Å; R26-Y28 WeakPolarHBondContact O-CE2 3.23Å; R26-Y28 VanDerWaalsContact O-CZ 3.31Å; R26-Y28 PolarHBondContact O-N 3.25Å | ||
| 27 | V | 62.2 | Low | 49.1 | Very low | 121 Ų | 121 | 136 Ų | 136 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -64.1 | 100.7 | 172.6 | -68.6 | 0 | 0 | 0 | 0 | 108.8 | P25 | P25-V27 PolarHBondContact O-N 2.73Š| ||
| 28 | Y | 56.6 | Low | 48.7 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -82.4 | 114.7 | 171.3 | -36.9 | -81.4 | 0 | 0 | 0 | 107.2 | R26 Q30 | R26-Y28 HydrophobicContact CB-CD1 4.41Å; R26-Y28 HydrophobicContact CB-CE1 3.79Å; R26-Y28 HydrophobicContact CG-CD1 4.36Å; R26-Y28 HydrophobicContact CG-CE1 4.09Å; R26-Y28 WeakPolarHBondContact O-CD2 3.41Å; R26-Y28 WeakPolarHBondContact O-CE2 3.23Å; R26-Y28 VanDerWaalsContact O-CZ 3.31Å; R26-Y28 PolarHBondContact O-N 3.25Å; Y28-Q30 PolarHBondContact O-N 3.13Å; Y28-Q30 VanDerWaalsContact O-N 3.09Å | ||
| 29 | F | 50.7 | Low | 48.8 | Very low | 196 Ų | 196 | 138 Ų | 138 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -71.3 | 104.4 | 164.4 | -71.5 | -88.3 | 0 | 0 | 0 | 107.3 | T31 | F29-T31 PolarHBondContact O-N 2.79Š| ||
| 30 | Q | 52.2 | Low | 48.7 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -85.2 | 98 | -176.5 | -156.4 | 157.5 | 86.3 | 0 | 0 | 108.3 | Y28 | Y28-Q30 PolarHBondContact O-N 3.13Å; Y28-Q30 VanDerWaalsContact O-N 3.09Å | ||
| 31 | T | 52.4 | Low | 48.4 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 120 | 165.8 | 26.6 | 0 | 0 | 0 | 0 | 109 | F29 A33 | F29-T31 PolarHBondContact O-N 2.79Å; T31-A33 PolarHBondContact O-N 3.48Å |
| 32 | P | 46.5 | Very low | 48.3 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 121.3 | 176.6 | 28.8 | -31.7 | 0 | 0 | 0 | 109.5 | ||
| 33 | A | 44.3 | Very low | 48.3 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 88% | 0.884 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 116.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | T31 | T31-A33 PolarHBondContact O-N 3.48Š|
| 34 | G | 38.4 | Very low | 48.5 | Very low | 67 Ų | 67 | 144.9 Ų | 144.9 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 178.6 | 87.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 35 | T | 42.1 | Very low | 48.2 | Very low | 140 Ų | 140 | 147 Ų | 147 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 59.5 | 117 | 143.8 | -42.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 36 | T | 34.5 | Very low | 47.8 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | 168.3 | 125.4 | 136.4 | -71.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 37 | E | 40.7 | Very low | 46.5 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | 25.1 | 133.3 | 138.4 | -46.1 | 179.1 | 109.7 | 0 | 0 | 119.1 | ||||
| 38 | E | 38.3 | Very low | 45.4 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -18.7 | 163.5 | 166.4 | -77.8 | -93.3 | 112.2 | 0 | 0 | 118.6 | ||||
| 39 | P | 47.7 | Very low | 44.2 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 60% | 0.597 | 79% | 0.791 | S | S | * | * | cis | -120.6 | -160.9 | -30.7 | 28 | -6.2 | 0 | 0 | 0 | 109.4 | ||||
| 40 | E | 41.6 | Very low | 43.8 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 84.4 | 98.9 | 165.5 | -38.6 | -161.9 | 136.1 | 0 | 0 | 117.5 | ||||
| 41 | T | 38.5 | Very low | 43.4 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | 163.5 | 131.8 | 102.2 | 43.4 | 0 | 0 | 0 | 0 | 109.3 | V43 | T41-V43 PolarHBondContact O-N 2.91Š| |||
| 42 | P | 47.4 | Very low | 43.6 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | trans | -68.1 | 121 | -179.5 | 26.3 | -29.7 | 0 | 0 | 0 | 109.1 | R44 | P42-R44 PolarHBondContact O-N 3.46Š| ||
| 43 | V | 49.6 | Very low | 44.4 | Very low | 136 Ų | 136 | 137 Ų | 137 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | -52 | 102.7 | 170.7 | 176.3 | 0 | 0 | 0 | 0 | 107.9 | T41 K45 | T41-V43 PolarHBondContact O-N 2.91Å; V43-K45 PolarHBondContact O-N 3.33Å | ||
| 44 | R | 53.7 | Low | 45.8 | Very low | 233 Ų | 233 | 137.7 Ų | 137.7 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | trans | -59.4 | 100 | 178.3 | -70.3 | 178.8 | 168.2 | -169.2 | -4.1 | 107.5 | P42 Q46 | P42-R44 PolarHBondContact O-N 3.46Å; R44-Q46 PolarHBondContact O-N 3.12Å | ||
| 45 | K | 52.5 | Low | 47.7 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | trans | -50.9 | 113.8 | 171.6 | -64.6 | 175.5 | -178.2 | 176.8 | 0 | 106.7 | V43 G47 | V43-K45 PolarHBondContact O-N 3.33Å; K45-G47 VanDerWaalsContact C-N 3.33Å; K45-G47 PolarHBondContact O-N 3.06Å | ||
| 46 | Q | 47 | Very low | 49.5 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 91% | 0.907 | 72% | 0.716 | S | S | * | * | trans | -52.7 | 102.1 | 173 | -67.3 | 170.4 | 16.1 | 0 | 0 | 106.9 | R44 R48 | R44-Q46 PolarHBondContact O-N 3.12Å; Q46-R48 PolarHBondContact O-N 3.39Å | ||
| 47 | G | 40 | Very low | 51.7 | Low | 60 Ų | 60 | 140.2 Ų | 140.2 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | trans | -61.6 | 121 | -176 | 0 | 0 | 0 | 0 | 0 | 108 | K45 V49 | K45-G47 VanDerWaalsContact C-N 3.33Å; K45-G47 PolarHBondContact O-N 3.06Å; G47-V49 VanDerWaalsContact C-N 3.33Å; G47-V49 PolarHBondContact O-N 3.31Å | ||
| 48 | R | 38.4 | Very low | 53.6 | Low | 230 Ų | 230 | 134.7 Ų | 134.7 | 87% | 0.868 | 66% | 0.663 | S | S | * | * | trans | -61.6 | 103.3 | 162.8 | -70.8 | -169.7 | -168.9 | -153.3 | 4 | 106.7 | Q46 T50 | Q46-R48 PolarHBondContact O-N 3.39Å; R48-T50 PolarHBondContact O-N 3.45Å | ||
| 49 | V | 31 | Very low | 55.7 | Low | 108 Ų | 108 | 132.9 Ų | 132.9 | 66% | 0.655 | 65% | 0.649 | S | S | * | * | trans | -80.4 | 58.7 | 168.5 | -172.3 | 0 | 0 | 0 | 0 | 107.4 | G47 V51 | G47-V49 VanDerWaalsContact C-N 3.33Å; G47-V49 PolarHBondContact O-N 3.31Å; V49-V51 PolarHBondContact O-N 2.88Å | ||
| 50 | T | 42 | Very low | 57.4 | Low | 105 Ų | 105 | 133.2 Ų | 133.2 | 64% | 0.644 | 64% | 0.64 | S | S | * | * | trans | -93.1 | 93.8 | 164.3 | 54.1 | 0 | 0 | 0 | 0 | 105.5 | R48 K52 | R48-T50 PolarHBondContact O-N 3.45Å; T50-K52 PolarHBondContact O-N 3.21Å; T50-K52 VanDerWaalsContact O-N 3.12Å | ||
| 51 | V | 44.9 | Very low | 59.2 | Low | 26 Ų | 26 | 127.3 Ų | 127.3 | 16% | 0.158 | 61% | 0.611 | C | S | . | * | trans | -50 | 121.6 | 164.6 | -176.1 | 0 | 0 | 0 | 0 | 106.8 | V49 Y53 S135 T136 P137 | V49-V51 PolarHBondContact O-N 2.88Å; V51-Y53 HydrophobicContact CB-CD1 4.43Å; V51-Y53 HydrophobicContact CB-CD2 4.35Å; V51-Y53 HydrophobicContact CB-CE1 3.85Å; V51-Y53 HydrophobicContact CB-CE2 3.75Å; V51-Y53 VanDerWaalsContact CB-CZ 3.48Å; V51-Y53 HydrophobicContact CG1-CD1 3.74Å; V51-Y53 HydrophobicContact CG1-CE1 3.24Å; V51-Y53 HydrophobicContact CG1-CE2 4.09Å; V51-Y53 HydrophobicContact CG1-CG 4.37Å; V51-Y53 VanDerWaalsContact CG1-CZ 3.46Å; V51-Y53 WeakPolarHBondContact O-CD2 3.36Å; V51-Y53 PolarHBondContact O-N 3.39Å; V51-S135 WeakPolarHBondContact CG1-O 3.1Å; V51-T136 HydrophobicContact CG1-CG2 4.46Å; V51-T136 HydrophobicContact CG2-CG2 4.29Å; V51-P137 VanDerWaalsContact CG2-CD 3.43Å; V51-P137 HydrophobicContact CG2-CG 4.26Å | ||
| 52 | K | 57.3 | Low | 61.3 | Low | 204 Ų | 204 | 126.4 Ų | 126.4 | 89% | 0.887 | 60% | 0.601 | S | S | * | * | trans | -81 | 92.9 | -175.6 | -129.4 | -165.2 | 179.5 | -172.8 | 0 | 107.1 | T50 | T50-K52 PolarHBondContact O-N 3.21Å; T50-K52 VanDerWaalsContact O-N 3.12Å | ||
| 53 | Y | 61.7 | Low | 63.1 | Low | 98 Ų | 98 | 125.6 Ų | 125.6 | 38% | 0.384 | 59% | 0.59 | S | S | . | * | trans | -85 | 140.1 | 175 | -56.4 | -63.7 | 0 | 0 | 0 | 110.5 | V51 R55 L58 L134 | V51-Y53 HydrophobicContact CB-CD1 4.43Å; V51-Y53 HydrophobicContact CB-CD2 4.35Å; V51-Y53 HydrophobicContact CB-CE1 3.85Å; V51-Y53 HydrophobicContact CB-CE2 3.75Å; V51-Y53 VanDerWaalsContact CB-CZ 3.48Å; V51-Y53 HydrophobicContact CG1-CD1 3.74Å; V51-Y53 HydrophobicContact CG1-CE1 3.24Å; V51-Y53 HydrophobicContact CG1-CE2 4.09Å; V51-Y53 HydrophobicContact CG1-CG 4.37Å; V51-Y53 VanDerWaalsContact CG1-CZ 3.46Å; V51-Y53 WeakPolarHBondContact O-CD2 3.36Å; V51-Y53 PolarHBondContact O-N 3.39Å; Y53-R55 PolarHBondContact O-N 3.2Å; Y53-L58 HydrophobicContact CD2-CD2 4.27Å; Y53-L58 HydrophobicContact CG-CD1 4.46Å; Y53-L58 HydrophobicContact CG-CD2 4Å; Y53-L58 HydrophobicContact CG-CG 4.4Å; Y53-L134 HydrophobicContact CD1-CB 3.76Å; Y53-L134 HydrophobicContact CD1-CD1 4.19Å; Y53-L134 HydrophobicContact CD1-CD2 3.78Å; Y53-L134 HydrophobicContact CD1-CG 4.11Å; Y53-L134 HydrophobicContact CE1-CB 3.77Å; Y53-L134 HydrophobicContact CE1-CD1 4.47Å; Y53-L134 HydrophobicContact CG-CD2 4.45Å | ||
| 54 | D | 75.1 | Confident | 64.7 | Low | 121 Ų | 121 | 119.3 Ų | 119.3 | 65% | 0.647 | 55% | 0.552 | S | S | * | * | trans | -70.5 | 125.1 | 172.6 | -106.4 | -56.6 | 0 | 0 | 0 | 110.1 | K56 E57 L58 | D54-K56 PolarHBondContact O-N 3.13Å; D54-K56 VanDerWaalsContact O-N 3.13Å; D54-E57 HydrophobicContact CB-CB 3.85Å; D54-E57 PolarHBondContact O-N 3.4Å; D54-L58 PolarHBondContact O-N 3.34Å | ||
| 55 | R | 77.3 | Confident | 66 | Low | 184 Ų | 184 | 112.2 Ų | 112.2 | 69% | 0.694 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58 | -32.1 | -178.1 | -177.5 | 175.6 | 179.8 | 155.5 | 2.3 | 112.8 | Y53 R59 | Y53-R55 PolarHBondContact O-N 3.2Å; R55-R59 WeakPolarHBondContact O-CG 3.33Å; R55-R59 PolarHBondContact O-N 2.8Å |
| 56 | K | 80.4 | Confident | 67.5 | Low | 172 Ų | 172 | 108.5 Ų | 108.5 | 75% | 0.748 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.6 | -39.5 | 176.5 | -67.4 | -177.6 | 179.5 | 179.3 | 0 | 111.4 | D54 R59 K60 | D54-K56 PolarHBondContact O-N 3.13Å; D54-K56 VanDerWaalsContact O-N 3.13Å; K56-R59 WeakPolarHBondContact O-CB 3.39Å; K56-R59 PolarHBondContact O-N 2.87Å; K56-K60 PolarHBondContact O-N 2.95Å; K56-K60 VanDerWaalsContact O-N 3.15Å |
| 57 | E | 79.7 | Confident | 69.5 | Low | 14 Ų | 14 | 100.7 Ų | 100.7 | 7% | 0.065 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -72.9 | -40.9 | -179.6 | -163.1 | 59.1 | -149.8 | 0 | 0 | 111.2 | D54 R59 K60 R61 M131 Q132 L134 | D54-E57 HydrophobicContact CB-CB 3.85Å; D54-E57 PolarHBondContact O-N 3.4Å; E57-R59 PolarHBondContact O-N 2.94Å; E57-K60 CarbonylContact O-C 3.6Å; E57-K60 WeakPolarHBondContact O-CB 3.5Å; E57-K60 PolarHBondContact O-N 3.22Å; E57-K60 WeakPolarHBondContact OE2-CD 3.42Å; E57-K60 IonicContact OE2-NZ 3.72Å; E57-K60 PolarHBondContact OE2-NZ 3.19Å; E57-K60 VanDerWaalsContact OE2-NZ 3.13Å; E57-R61 PolarHBondContact O-N 2.62Å; E57-M131 WeakPolarHBondContact OE1-CA 3.48Å; E57-M131 WeakPolarHBondContact OE1-CB 3.39Å; E57-Q132 HydrophobicContact CG-CB 4.3Å; E57-Q132 PolarHBondContact OE1-N 2.92Å; E57-L134 HydrophobicContact CB-CD2 4.05Å; E57-L134 HydrophobicContact CG-CD2 3.72Å; E57-L134 HydrophobicContact CG-CG 4.42Å |
| 58 | L | 80.7 | Confident | 71.5 | Confident | 65 Ų | 65 | 98.6 Ų | 98.6 | 34% | 0.34 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -56.2 | -38.4 | 170.6 | -75 | 175.3 | 0 | 0 | 0 | 112.6 | Y53 D54 R61 L62 L134 | Y53-L58 HydrophobicContact CD2-CD2 4.27Å; Y53-L58 HydrophobicContact CG-CD1 4.46Å; Y53-L58 HydrophobicContact CG-CD2 4Å; Y53-L58 HydrophobicContact CG-CG 4.4Å; D54-L58 PolarHBondContact O-N 3.34Å; L58-R61 WeakPolarHBondContact O-CB 3.47Å; L58-R61 PolarHBondContact O-N 3.04Å; L58-L62 WeakPolarHBondContact O-CG 3.49Å; L58-L62 PolarHBondContact O-N 3.48Å; L58-L134 HydrophobicContact CD2-CD1 4.09Å |
| 59 | R | 82.4 | Confident | 73.4 | Confident | 142 Ų | 142 | 92.5 Ų | 92.5 | 54% | 0.536 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 174.4 | -78.9 | 175.2 | 175.1 | -176.7 | -4.5 | 111.1 | R55 K56 E57 R61 L62 N63 | R55-R59 WeakPolarHBondContact O-CG 3.33Å; R55-R59 PolarHBondContact O-N 2.8Å; K56-R59 WeakPolarHBondContact O-CB 3.39Å; K56-R59 PolarHBondContact O-N 2.87Å; E57-R59 PolarHBondContact O-N 2.94Å; R59-R61 PolarHBondContact O-N 3.37Å; R59-L62 PolarHBondContact O-N 3.23Å; R59-N63 PolarHBondContact O-N 3.35Å; R59-N63 PolarHBondContact O-ND2 2.99Å |
| 60 | K | 83.4 | Confident | 75.8 | Confident | 98 Ų | 98 | 91.4 Ų | 91.4 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 175.2 | -68.1 | 177.9 | -177.6 | 170.5 | 0 | 111.6 | K56 E57 N63 L64 G130 | K56-K60 PolarHBondContact O-N 2.95Å; K56-K60 VanDerWaalsContact O-N 3.15Å; E57-K60 CarbonylContact O-C 3.6Å; E57-K60 WeakPolarHBondContact O-CB 3.5Å; E57-K60 PolarHBondContact O-N 3.22Å; E57-K60 WeakPolarHBondContact OE2-CD 3.42Å; E57-K60 IonicContact OE2-NZ 3.72Å; E57-K60 PolarHBondContact OE2-NZ 3.19Å; E57-K60 VanDerWaalsContact OE2-NZ 3.13Å; K60-N63 PolarHBondContact O-N 2.93Å; K60-L64 WeakPolarHBondContact O-CB 3.06Å; K60-L64 PolarHBondContact O-N 3.4Å; K60-G130 PolarHBondContact NZ-O 2.72Å |
| 61 | R | 79.6 | Confident | 77.8 | Confident | 44 Ų | 44 | 88.7 Ų | 88.7 | 17% | 0.166 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.1 | -51.4 | 177.1 | -177.4 | 60.1 | 177 | -162.6 | 4.7 | 112.3 | E57 L58 R59 N63 L64 E65 V90 M131 L134 | E57-R61 PolarHBondContact O-N 2.62Å; L58-R61 WeakPolarHBondContact O-CB 3.47Å; L58-R61 PolarHBondContact O-N 3.04Å; R59-R61 PolarHBondContact O-N 3.37Å; R61-N63 VanDerWaalsContact C-N 3.34Å; R61-N63 PolarHBondContact O-N 3.47Å; R61-L64 WeakPolarHBondContact O-CB 3.48Å; R61-L64 PolarHBondContact O-N 2.89Å; R61-L64 VanDerWaalsContact O-N 3.1Å; R61-E65 WeakPolarHBondContact CG-OE1 3.48Å; R61-E65 IonicContact CZ-OE1 2.64Å; R61-E65 IonicContact NE-OE1 3.7Å; R61-E65 PolarHBondContact NE-OE1 2.97Å; R61-E65 PolarHBondContact O-N 2.68Å; R61-V90 VanDerWaalsContact NH2-CG2 3.34Å; R61-M131 HydrophobicContact CB-CE 3.95Å; R61-M131 HydrophobicContact CG-CE 4.44Å; R61-L134 HydrophobicContact CB-CD1 4.47Å; R61-L134 HydrophobicContact CG-CD1 4.41Å |
| 62 | L | 82.9 | Confident | 79.2 | Confident | 106 Ų | 106 | 88.2 Ų | 88.2 | 56% | 0.555 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.1 | -44.4 | 176.9 | -71.9 | 167.2 | 0 | 0 | 0 | 111.7 | L58 R59 L64 E65 E66 | L58-L62 WeakPolarHBondContact O-CG 3.49Å; L58-L62 PolarHBondContact O-N 3.48Å; R59-L62 PolarHBondContact O-N 3.23Å; L62-L64 PolarHBondContact O-N 3.25Å; L62-E65 PolarHBondContact O-N 3.12Å; L62-E66 WeakPolarHBondContact O-CB 3.33Å; L62-E66 PolarHBondContact O-N 2.91Å |
| 63 | N | 85.3 | Confident | 80.1 | Confident | 101 Ų | 101 | 82.1 Ų | 82.1 | 54% | 0.54 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -31.3 | 176.6 | -77.7 | -89.8 | 0 | 0 | 0 | 112.3 | R59 K60 R61 W67 | R59-N63 PolarHBondContact O-N 3.35Å; R59-N63 PolarHBondContact O-ND2 2.99Å; K60-N63 PolarHBondContact O-N 2.93Å; R61-N63 VanDerWaalsContact C-N 3.34Å; R61-N63 PolarHBondContact O-N 3.47Å; N63-W67 VanDerWaalsContact O-CB 3.22Å; N63-W67 WeakPolarHBondContact O-CB 3.31Å; N63-W67 PolarHBondContact O-N 2.84Å; N63-W67 VanDerWaalsContact O-N 3.11Å |
| 64 | L | 83.9 | Confident | 80.8 | Confident | 4 Ų | 4 | 82.4 Ų | 82.4 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.1 | -47.8 | 175.3 | -178.2 | 67.9 | 0 | 0 | 0 | 110.7 | K60 R61 L62 W67 I68 V90 L124 K127 I128 M131 | K60-L64 WeakPolarHBondContact O-CB 3.06Å; K60-L64 PolarHBondContact O-N 3.4Å; R61-L64 WeakPolarHBondContact O-CB 3.48Å; R61-L64 PolarHBondContact O-N 2.89Å; R61-L64 VanDerWaalsContact O-N 3.1Å; L62-L64 PolarHBondContact O-N 3.25Å; L64-W67 HydrophobicContact CD1-CE3 3.85Å; L64-W67 HydrophobicContact CD1-CZ3 4.19Å; L64-W67 PolarHBondContact O-N 3.41Å; L64-I68 HydrophobicContact CD1-CD1 4.33Å; L64-I68 HydrophobicContact CD1-CG1 4.4Å; L64-I68 HydrophobicContact CD2-CD1 4.32Å; L64-I68 HydrophobicContact CG-CD1 3.88Å; L64-I68 HydrophobicContact CG-CG1 4.35Å; L64-I68 VanDerWaalsContact O-CG1 3.29Å; L64-I68 WeakPolarHBondContact O-CG1 3.37Å; L64-I68 PolarHBondContact O-N 3.28Å; L64-V90 HydrophobicContact CD2-CG1 4.38Å; L64-V90 HydrophobicContact CD2-CG2 3.91Å; L64-L124 HydrophobicContact CD1-CD1 4.02Å; L64-L124 HydrophobicContact CD2-CD1 4.44Å; L64-K127 HydrophobicContact CD1-CB 3.6Å; L64-K127 HydrophobicContact CD1-CD 3.58Å; L64-K127 HydrophobicContact CD1-CG 4.22Å; L64-I128 HydrophobicContact CD2-CG2 3.81Å; L64-M131 HydrophobicContact CB-SD 4.31Å; L64-M131 HydrophobicContact CD2-CE 4.11Å; L64-M131 HydrophobicContact CD2-SD 3.36Å; L64-M131 WeakPolarHBondContact CD2-SD 3.04Å; L64-M131 HydrophobicContact CG-SD 4.36Å |
| 65 | E | 81.5 | Confident | 80.6 | Confident | 84 Ų | 84 | 77.5 Ų | 77.5 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 179.3 | -72.6 | 173 | -162.7 | 0 | 0 | 111.5 | R61 L62 W67 I68 I69 | R61-E65 WeakPolarHBondContact CG-OE1 3.48Å; R61-E65 IonicContact CZ-OE1 2.64Å; R61-E65 IonicContact NE-OE1 3.7Å; R61-E65 PolarHBondContact NE-OE1 2.97Å; R61-E65 PolarHBondContact O-N 2.68Å; L62-E65 PolarHBondContact O-N 3.12Å; E65-W67 PolarHBondContact O-N 3.43Å; E65-I68 PolarHBondContact O-N 3.2Å; E65-I69 WeakPolarHBondContact O-CD1 3.26Å; E65-I69 VanDerWaalsContact O-CG1 3.29Å; E65-I69 WeakPolarHBondContact O-CG1 3.14Å; E65-I69 PolarHBondContact O-N 3.14Å |
| 66 | E | 83.3 | Confident | 80.1 | Confident | 118 Ų | 118 | 70.4 Ų | 70.4 | 55% | 0.551 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59 | -46.4 | 174.8 | -173.2 | 175.9 | 173.8 | 0 | 0 | 111.4 | L62 I68 I69 D70 | L62-E66 WeakPolarHBondContact O-CB 3.33Å; L62-E66 PolarHBondContact O-N 2.91Å; E66-I68 PolarHBondContact O-N 3.44Å; E66-I69 PolarHBondContact O-N 3.44Å; E66-D70 PolarHBondContact O-N 2.64Å |
| 67 | W | 87.8 | Confident | 79.1 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 11% | 0.114 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 177.3 | 172.3 | 81.4 | 0 | 0 | 0 | 113.3 | N63 L64 E65 I69 D70 Q71 F120 E123 L124 K127 | N63-W67 VanDerWaalsContact O-CB 3.22Å; N63-W67 WeakPolarHBondContact O-CB 3.31Å; N63-W67 PolarHBondContact O-N 2.84Å; N63-W67 VanDerWaalsContact O-N 3.11Å; L64-W67 HydrophobicContact CD1-CE3 3.85Å; L64-W67 HydrophobicContact CD1-CZ3 4.19Å; L64-W67 PolarHBondContact O-N 3.41Å; E65-W67 PolarHBondContact O-N 3.43Å; W67-I69 VanDerWaalsContact C-N 3.3Å; W67-I69 PolarHBondContact O-N 2.83Å; W67-D70 PolarHBondContact O-N 3.32Å; W67-Q71 HydrophobicContact CD2-CG 4.02Å; W67-Q71 VanDerWaalsContact CE2-CG 3.47Å; W67-Q71 HydrophobicContact CG-CG 4.36Å; W67-Q71 HydrophobicContact CH2-CG 4.4Å; W67-Q71 HydrophobicContact CZ2-CG 3.69Å; W67-Q71 WeakPolarHBondContact O-CB 3.43Å; W67-Q71 VanDerWaalsContact O-CG 3.29Å; W67-Q71 WeakPolarHBondContact O-CG 3.2Å; W67-Q71 PolarHBondContact O-N 3.01Å; W67-F120 AromaticContact CH2-CD2 3.73Å; W67-F120 HydrophobicContact CH2-CD2 3.73Å; W67-F120 AromaticContact CH2-CE2 3.82Å; W67-F120 HydrophobicContact CH2-CE2 3.82Å; W67-F120 HydrophobicContact CZ2-CD2 4.23Å; W67-F120 HydrophobicContact CZ3-CD2 4.22Å; W67-F120 AromaticContact CZ3-CE2 3.83Å; W67-F120 HydrophobicContact CZ3-CE2 3.83Å; W67-E123 HydrophobicContact CH2-CB 3.63Å; W67-E123 HydrophobicContact CZ2-CB 3.39Å; W67-E123 HydrophobicContact CZ2-CG 4.32Å; W67-E123 VanDerWaalsContact CZ2-OE2 3.28Å; W67-E123 WeakPolarHBondContact CZ2-OE2 3.45Å; W67-L124 HydrophobicContact CH2-CB 3.92Å; W67-L124 HydrophobicContact CZ3-CB 3.86Å; W67-L124 HydrophobicContact CZ3-CD1 4.02Å; W67-K127 HydrophobicContact CD2-CD 3.89Å; W67-K127 HydrophobicContact CE3-CD 3.78Å; W67-K127 HydrophobicContact CG-CD 4.42Å; W67-K127 HydrophobicContact CZ3-CD 4.14Å |
| 68 | I | 81.9 | Confident | 77.9 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.1 | -73.2 | 169.4 | 0 | 0 | 0 | 109.4 | L64 E65 E66 Q71 L72 I88 F120 L124 | L64-I68 HydrophobicContact CD1-CD1 4.33Å; L64-I68 HydrophobicContact CD1-CG1 4.4Å; L64-I68 HydrophobicContact CD2-CD1 4.32Å; L64-I68 HydrophobicContact CG-CD1 3.88Å; L64-I68 HydrophobicContact CG-CG1 4.35Å; L64-I68 VanDerWaalsContact O-CG1 3.29Å; L64-I68 WeakPolarHBondContact O-CG1 3.37Å; L64-I68 PolarHBondContact O-N 3.28Å; E65-I68 PolarHBondContact O-N 3.2Å; E66-I68 PolarHBondContact O-N 3.44Å; I68-Q71 PolarHBondContact O-N 3.05Å; I68-L72 HydrophobicContact CG2-CD1 3.78Å; I68-L72 HydrophobicContact CG2-CG 4.3Å; I68-L72 WeakPolarHBondContact O-CB 3.23Å; I68-L72 VanDerWaalsContact O-CG 3.22Å; I68-L72 WeakPolarHBondContact O-CG 3.37Å; I68-L72 PolarHBondContact O-N 3.2Å; I68-I88 HydrophobicContact CG2-CD1 3.92Å; I68-F120 HydrophobicContact CG1-CE2 4.46Å; I68-F120 HydrophobicContact CG1-CZ 4.43Å; I68-F120 HydrophobicContact CG2-CZ 4.34Å; I68-L124 HydrophobicContact CD1-CD1 3.84Å; I68-L124 HydrophobicContact CG1-CD1 4.13Å |
| 69 | I | 79.5 | Confident | 76.2 | Confident | 103 Ų | 103 | 76.7 Ų | 76.7 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 178.9 | -67.1 | 162.5 | 0 | 0 | 0 | 110.9 | E65 E66 W67 Q71 L72 T73 | E65-I69 WeakPolarHBondContact O-CD1 3.26Å; E65-I69 VanDerWaalsContact O-CG1 3.29Å; E65-I69 WeakPolarHBondContact O-CG1 3.14Å; E65-I69 PolarHBondContact O-N 3.14Å; E66-I69 PolarHBondContact O-N 3.44Å; W67-I69 VanDerWaalsContact C-N 3.3Å; W67-I69 PolarHBondContact O-N 2.83Å; I69-Q71 PolarHBondContact O-N 3.39Å; I69-L72 PolarHBondContact O-N 3.36Å; I69-T73 WeakPolarHBondContact O-CB 3.46Å; I69-T73 PolarHBondContact O-N 3.48Å; I69-T73 PolarHBondContact O-OG1 2.93Å |
| 70 | D | 82.2 | Confident | 74.6 | Confident | 85 Ų | 85 | 79 Ų | 79 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 177.8 | -78.9 | -8.2 | 0 | 0 | 0 | 111.2 | E66 W67 L72 T73 D74 | E66-D70 PolarHBondContact O-N 2.64Å; W67-D70 PolarHBondContact O-N 3.32Å; D70-L72 PolarHBondContact O-N 2.93Å; D70-T73 WeakPolarHBondContact O-CB 3.47Å; D70-T73 PolarHBondContact O-N 2.96Å; D70-D74 PolarHBondContact O-N 3.48Å |
| 71 | Q | 81.9 | Confident | 72.8 | Confident | 47 Ų | 47 | 83.3 Ų | 83.3 | 22% | 0.22 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 177.8 | -72.3 | -59.2 | -73.8 | 0 | 0 | 112.4 | W67 I68 I69 T73 D74 L75 F120 | W67-Q71 HydrophobicContact CD2-CG 4.02Å; W67-Q71 VanDerWaalsContact CE2-CG 3.47Å; W67-Q71 HydrophobicContact CG-CG 4.36Å; W67-Q71 HydrophobicContact CH2-CG 4.4Å; W67-Q71 HydrophobicContact CZ2-CG 3.69Å; W67-Q71 WeakPolarHBondContact O-CB 3.43Å; W67-Q71 VanDerWaalsContact O-CG 3.29Å; W67-Q71 WeakPolarHBondContact O-CG 3.2Å; W67-Q71 PolarHBondContact O-N 3.01Å; I68-Q71 PolarHBondContact O-N 3.05Å; I69-Q71 PolarHBondContact O-N 3.39Å; Q71-T73 VanDerWaalsContact C-N 3.29Å; Q71-T73 PolarHBondContact O-N 3.27Å; Q71-D74 PolarHBondContact O-N 2.98Å; Q71-L75 WeakPolarHBondContact O-CB 3.32Å; Q71-L75 WeakPolarHBondContact O-CD1 3.38Å; Q71-L75 VanDerWaalsContact O-CG 3.32Å; Q71-L75 WeakPolarHBondContact O-CG 3.46Å; Q71-L75 PolarHBondContact O-N 3.48Å; Q71-F120 HydrophobicContact CB-CD2 3.52Å; Q71-F120 HydrophobicContact CB-CE2 3.74Å; Q71-F120 HydrophobicContact CG-CD2 3.96Å; Q71-F120 HydrophobicContact CG-CE2 4.35Å |
| 72 | L | 76.1 | Confident | 71.2 | Confident | 16 Ų | 16 | 84 Ų | 84 | 8% | 0.084 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 174.7 | -74.1 | 174.8 | 0 | 0 | 0 | 111.6 | I68 I69 D70 L75 Y76 L86 L110 | I68-L72 HydrophobicContact CG2-CD1 3.78Å; I68-L72 HydrophobicContact CG2-CG 4.3Å; I68-L72 WeakPolarHBondContact O-CB 3.23Å; I68-L72 VanDerWaalsContact O-CG 3.22Å; I68-L72 WeakPolarHBondContact O-CG 3.37Å; I68-L72 PolarHBondContact O-N 3.2Å; I69-L72 PolarHBondContact O-N 3.36Å; D70-L72 PolarHBondContact O-N 2.93Å; L72-L75 PolarHBondContact O-N 3.42Å; L72-Y76 HydrophobicContact CD2-CD2 4.32Å; L72-Y76 HydrophobicContact CD2-CE2 4.04Å; L72-Y76 WeakPolarHBondContact O-CB 3.41Å; L72-Y76 WeakPolarHBondContact O-CD2 3.33Å; L72-Y76 PolarHBondContact O-N 3.44Å; L72-L86 HydrophobicContact CD2-CD2 4.43Å; L72-L110 HydrophobicContact CD2-CD2 3.63Å |
| 73 | T | 75.5 | Confident | 69.8 | Low | 77 Ų | 77 | 82.4 Ų | 82.4 | 47% | 0.472 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | I69 D70 Q71 L75 D77 | I69-T73 WeakPolarHBondContact O-CB 3.46Å; I69-T73 PolarHBondContact O-N 3.48Å; I69-T73 PolarHBondContact O-OG1 2.93Å; D70-T73 WeakPolarHBondContact O-CB 3.47Å; D70-T73 PolarHBondContact O-N 2.96Å; Q71-T73 VanDerWaalsContact C-N 3.29Å; Q71-T73 PolarHBondContact O-N 3.27Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 2.84Å; T73-D77 PolarHBondContact O-N 2.89Å |
| 74 | D | 76.3 | Confident | 68.4 | Low | 104 Ų | 104 | 80.3 Ų | 80.3 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.9 | -39 | 175.9 | -72.8 | -20.3 | 0 | 0 | 0 | 112.3 | D70 Q71 K115 | D70-D74 PolarHBondContact O-N 3.48Å; Q71-D74 PolarHBondContact O-N 2.98Å; D74-K115 PolarHBondContact O-NZ 3.3Å |
| 75 | L | 71.8 | Confident | 67.2 | Low | 18 Ų | 18 | 89.9 Ų | 89.9 | 9% | 0.094 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -69.1 | -43.4 | -179.4 | -86.6 | 156.1 | 0 | 0 | 0 | 112.1 | Q71 L72 T73 K115 T117 F120 | Q71-L75 WeakPolarHBondContact O-CB 3.32Å; Q71-L75 WeakPolarHBondContact O-CD1 3.38Å; Q71-L75 VanDerWaalsContact O-CG 3.32Å; Q71-L75 WeakPolarHBondContact O-CG 3.46Å; Q71-L75 PolarHBondContact O-N 3.48Å; L72-L75 PolarHBondContact O-N 3.42Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 2.84Å; L75-K115 HydrophobicContact CD2-CB 3.73Å; L75-K115 WeakPolarHBondContact O-CD 3.43Å; L75-K115 WeakPolarHBondContact O-CE 3.11Å; L75-K115 WeakPolarHBondContact O-CG 3.3Å; L75-T117 HydrophobicContact CD2-CG2 4.19Å; L75-F120 HydrophobicContact CD1-CB 4Å; L75-F120 HydrophobicContact CD1-CD2 4.32Å; L75-F120 HydrophobicContact CD1-CG 4.07Å |
| 76 | Y | 66 | Low | 66.4 | Low | 34 Ų | 34 | 87.9 Ų | 87.9 | 13% | 0.133 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -89.5 | -21.3 | -174.6 | -80.9 | -89.6 | 0 | 0 | 0 | 114.3 | L72 C78 L110 C113 | L72-Y76 HydrophobicContact CD2-CD2 4.32Å; L72-Y76 HydrophobicContact CD2-CE2 4.04Å; L72-Y76 WeakPolarHBondContact O-CB 3.41Å; L72-Y76 WeakPolarHBondContact O-CD2 3.33Å; L72-Y76 PolarHBondContact O-N 3.44Å; Y76-C78 VanDerWaalsContact O-CB 3.27Å; Y76-C78 WeakPolarHBondContact O-CB 3.27Å; Y76-C78 PolarHBondContact O-N 2.8Å; Y76-L110 HydrophobicContact CE2-CD2 4.47Å; Y76-C113 HydrophobicContact CE1-CB 4.35Å; Y76-C113 HydrophobicContact CE2-CB 4.02Å; Y76-C113 WeakPolarHBondContact OH-CB 3.22Å; Y76-C113 PolarHBondContact OH-N 3.11Å |
| 77 | D | 60.4 | Low | 65.8 | Low | 131 Ų | 131 | 89.1 Ų | 89.1 | 70% | 0.701 | 46% | 0.459 | S | S | * | . | trans | 49.5 | 17.7 | 173.3 | -124.3 | -22.2 | 0 | 0 | 0 | 114.7 | T73 K115 | T73-D77 PolarHBondContact O-N 2.89Å; D77-K115 IonicContact OD2-NZ 3.6Å; D77-K115 PolarHBondContact OD2-NZ 3.28Å | ||
| 78 | C | 52.7 | Low | 65.4 | Low | 82 Ų | 82 | 88.6 Ų | 88.6 | 55% | 0.554 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -123.6 | 142.5 | -165 | -99.4 | 0 | 0 | 0 | 0 | 111.3 | Y76 | Y76-C78 VanDerWaalsContact O-CB 3.27Å; Y76-C78 WeakPolarHBondContact O-CB 3.27Å; Y76-C78 PolarHBondContact O-N 2.8Å |
| 79 | E | 46.2 | Very low | 65.3 | Low | 171 Ų | 171 | 91.4 Ų | 91.4 | 80% | 0.799 | 47% | 0.473 | S | S | * | . | trans | -42.2 | 135.3 | 166.4 | -95.2 | 168 | 162.9 | 0 | 0 | 111 | E81 A82 | E79-E81 PolarHBondContact O-N 2.86Å; E79-A82 PolarHBondContact O-N 3.46Å | ||
| 80 | E | 49.1 | Very low | 65.4 | Low | 191 Ų | 191 | 86.6 Ų | 86.6 | 89% | 0.893 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.2 | -14.4 | 178.3 | -161 | 173.2 | 115.3 | 0 | 0 | 118.3 | ||
| 81 | E | 45 | Very low | 65.3 | Low | 188 Ų | 188 | 85.5 Ų | 85.5 | 88% | 0.879 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -12.1 | -176.4 | -74.4 | -170.9 | 130.1 | 0 | 0 | 115.9 | E79 | E79-E81 PolarHBondContact O-N 2.86Š|
| 82 | A | 46.4 | Very low | 65.4 | Low | 58 Ų | 58 | 86.4 Ų | 86.4 | 48% | 0.479 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -115.1 | 2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E79 P84 | E79-A82 PolarHBondContact O-N 3.46Å; A82-P84 WeakPolarHBondContact O-CD 3.36Å |
| 83 | I | 52.8 | Low | 65.8 | Low | 73 Ų | 73 | 85.8 Ų | 85.8 | 37% | 0.374 | 44% | 0.444 | S | S | . | . | trans | -81.2 | 102.2 | 170.7 | -55.7 | 175.5 | 0 | 0 | 0 | 106 | ||||
| 84 | P | 56.5 | Low | 66.1 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | trans | -54.8 | 154.9 | 170.4 | 24.5 | -33.5 | 0 | 0 | 0 | 109.1 | A82 L86 | A82-P84 WeakPolarHBondContact O-CD 3.36Å; P84-L86 PolarHBondContact O-N 2.85Å | ||
| 85 | E | 57.8 | Low | 66.4 | Low | 205 Ų | 205 | 83.7 Ų | 83.7 | 96% | 0.958 | 43% | 0.429 | S | S | * | . | trans | -62.2 | 76.7 | 172.1 | -72.3 | 177.2 | 111.7 | 0 | 0 | 109.8 | E87 | E85-E87 PolarHBondContact O-N 3.39Š| ||
| 86 | L | 64.9 | Low | 67 | Low | 41 Ų | 41 | 84.5 Ų | 84.5 | 22% | 0.215 | 43% | 0.433 | C | S | . | . | trans | -88.6 | 94.9 | -175.2 | -164.9 | 73.5 | 0 | 0 | 0 | 108.6 | L72 P84 L109 L110 | L72-L86 HydrophobicContact CD2-CD2 4.43Å; P84-L86 PolarHBondContact O-N 2.85Å; L86-L109 HydrophobicContact CD1-CB 3.79Å; L86-L109 HydrophobicContact CD1-CD2 3.54Å; L86-L109 HydrophobicContact CD1-CG 4.29Å; L86-L109 WeakPolarHBondContact CD1-O 3.29Å; L86-L109 HydrophobicContact CD2-CB 4.32Å; L86-L109 HydrophobicContact CG-CB 4.3Å; L86-L109 HydrophobicContact CG-CD2 4.25Å; L86-L110 HydrophobicContact CD2-CD2 3.76Å | ||
| 87 | E | 71.3 | Confident | 67.7 | Low | 145 Ų | 145 | 88.5 Ų | 88.5 | 68% | 0.678 | 46% | 0.464 | S | S | * | . | trans | -87.8 | 108.1 | 176.3 | -168.9 | 168.6 | -169.2 | 0 | 0 | 109.9 | E85 D89 | E85-E87 PolarHBondContact O-N 3.39Å; E87-D89 PolarHBondContact O-N 2.88Å | ||
| 88 | I | 79.1 | Confident | 68.9 | Low | 18 Ų | 18 | 84.4 Ų | 84.4 | 9% | 0.092 | 45% | 0.445 | C | S | . | . | trans | -86 | 98.8 | 172.3 | -57.8 | -179.3 | 0 | 0 | 0 | 108.8 | I68 V90 L93 F120 L124 | I68-I88 HydrophobicContact CG2-CD1 3.92Å; I88-V90 PolarHBondContact O-N 3.03Å; I88-L93 HydrophobicContact CG2-CD1 3.77Å; I88-F120 HydrophobicContact CD1-CE1 4.28Å; I88-F120 HydrophobicContact CD1-CZ 4Å; I88-L124 HydrophobicContact CD1-CD2 4.4Å; I88-L124 HydrophobicContact CG2-CD2 4.3Å | ||
| 89 | D | 79.8 | Confident | 70.6 | Confident | 76 Ų | 76 | 82.3 Ų | 82.3 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | trans | -71.9 | 90.3 | 175.8 | -81.3 | -45.8 | 0 | 0 | 0 | 112 | E87 D91 E92 L93 | E87-D89 PolarHBondContact O-N 2.88Å; D89-D91 PolarHBondContact O-N 2.66Å; D89-E92 HydrophobicContact CB-CB 3.73Å; D89-E92 WeakPolarHBondContact O-CB 3.2Å; D89-E92 PolarHBondContact O-N 3.09Å; D89-E92 VanDerWaalsContact O-N 3.09Å; D89-L93 PolarHBondContact O-N 3.29Å | ||
| 90 | V | 82 | Confident | 72.6 | Confident | 2 Ų | 2 | 79.5 Ų | 79.5 | 1% | 0.012 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65 | -28.5 | 178.8 | 177.3 | 0 | 0 | 0 | 0 | 112.9 | R61 L64 I88 E92 L93 L94 I128 | R61-V90 VanDerWaalsContact NH2-CG2 3.34Å; L64-V90 HydrophobicContact CD2-CG1 4.38Å; L64-V90 HydrophobicContact CD2-CG2 3.91Å; I88-V90 PolarHBondContact O-N 3.03Å; V90-E92 VanDerWaalsContact C-N 3.3Å; V90-L93 PolarHBondContact O-N 2.97Å; V90-L94 HydrophobicContact CG1-CD1 4.12Å; V90-L94 HydrophobicContact CG1-CG 4.19Å; V90-L94 WeakPolarHBondContact O-CB 3.43Å; V90-L94 VanDerWaalsContact O-CG 3.28Å; V90-L94 WeakPolarHBondContact O-CG 3.32Å; V90-L94 PolarHBondContact O-N 3.35Å; V90-I128 HydrophobicContact CG1-CB 4.35Å; V90-I128 HydrophobicContact CG1-CG2 3.68Å |
| 91 | D | 79.8 | Confident | 74.5 | Confident | 61 Ų | 61 | 75.4 Ų | 75.4 | 33% | 0.326 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 173.9 | -78.4 | -29.9 | 0 | 0 | 0 | 111.1 | D89 L94 D95 | D89-D91 PolarHBondContact O-N 2.66Å; D91-L94 PolarHBondContact O-N 3.28Å; D91-D95 PolarHBondContact O-N 2.89Å |
| 92 | E | 83.9 | Confident | 76.6 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 31% | 0.308 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 171.6 | -169.9 | -169.2 | 146.6 | 0 | 0 | 110.2 | D89 V90 L94 D95 M96 R105 | D89-E92 HydrophobicContact CB-CB 3.73Å; D89-E92 WeakPolarHBondContact O-CB 3.2Å; D89-E92 PolarHBondContact O-N 3.09Å; D89-E92 VanDerWaalsContact O-N 3.09Å; V90-E92 VanDerWaalsContact C-N 3.3Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 2.63Å; E92-D95 PolarHBondContact O-N 3.36Å; E92-D95 VanDerWaalsContact O-N 3.14Å; E92-M96 HydrophobicContact CG-CE 4.1Å; E92-M96 PolarHBondContact O-N 3.27Å; E92-M96 WeakPolarHBondContact OE1-CE 3.22Å; E92-R105 IonicContact OE1-CZ 2.62Å; E92-R105 IonicContact OE1-NE 3.82Å; E92-R105 PolarHBondContact OE1-NE 3.27Å; E92-R105 IonicContact OE1-NH2 3.69Å; E92-R105 IonicContact OE2-NH2 2.8Å |
| 93 | L | 84.4 | Confident | 78.5 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 177 | -61.5 | -179.8 | 0 | 0 | 0 | 111.8 | I88 D89 V90 D95 M96 R102 R105 V106 L124 I128 | I88-L93 HydrophobicContact CG2-CD1 3.77Å; D89-L93 PolarHBondContact O-N 3.29Å; V90-L93 PolarHBondContact O-N 2.97Å; L93-D95 VanDerWaalsContact C-N 3.29Å; L93-D95 PolarHBondContact O-N 2.97Å; L93-M96 PolarHBondContact O-N 3.47Å; L93-R102 HydrophobicContact CB-CG 4.4Å; L93-R102 HydrophobicContact CD2-CB 4.19Å; L93-R102 HydrophobicContact CD2-CG 4.48Å; L93-R102 VanDerWaalsContact O-CD 3.3Å; L93-R102 WeakPolarHBondContact O-CD 3.32Å; L93-R102 WeakPolarHBondContact O-CG 3.28Å; L93-R102 PolarHBondContact O-NE 3.38Å; L93-R105 HydrophobicContact CD2-CB 4.19Å; L93-R105 HydrophobicContact CD2-CG 4.33Å; L93-V106 HydrophobicContact CD1-CG2 3.86Å; L93-V106 HydrophobicContact CD2-CG2 3.95Å; L93-L124 HydrophobicContact CD1-CD2 4.35Å; L93-I128 HydrophobicContact CB-CD1 3.79Å; L93-I128 HydrophobicContact CD1-CD1 4.07Å |
| 94 | L | 82.5 | Confident | 80.2 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.7 | -30.2 | 177 | -75 | 174.1 | 0 | 0 | 0 | 112.8 | V90 D91 E92 M96 R102 I128 K133 | V90-L94 HydrophobicContact CG1-CD1 4.12Å; V90-L94 HydrophobicContact CG1-CG 4.19Å; V90-L94 WeakPolarHBondContact O-CB 3.43Å; V90-L94 VanDerWaalsContact O-CG 3.28Å; V90-L94 WeakPolarHBondContact O-CG 3.32Å; V90-L94 PolarHBondContact O-N 3.35Å; D91-L94 PolarHBondContact O-N 3.28Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 2.63Å; L94-M96 VanDerWaalsContact C-N 3.33Å; L94-R102 PolarHBondContact O-NH2 3.43Å; L94-I128 HydrophobicContact CD2-CB 4.38Å; L94-I128 WeakPolarHBondContact CD2-O 3.43Å; L94-K133 HydrophobicContact CD1-CB 4.27Å |
| 95 | D | 82.6 | Confident | 81.7 | Confident | 104 Ų | 104 | 66.5 Ų | 66.5 | 56% | 0.556 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -73.6 | -23.4 | 176.1 | -80.1 | -25.1 | 0 | 0 | 0 | 113.2 | D91 E92 L93 K133 | D91-D95 PolarHBondContact O-N 2.89Å; E92-D95 PolarHBondContact O-N 3.36Å; E92-D95 VanDerWaalsContact O-N 3.14Å; L93-D95 VanDerWaalsContact C-N 3.29Å; L93-D95 PolarHBondContact O-N 2.97Å; D95-K133 IonicContact OD1-NZ 3.13Å; D95-K133 PolarHBondContact OD1-NZ 2.83Å; D95-K133 IonicContact OD2-NZ 3.8Å; D95-K133 PolarHBondContact OD2-NZ 3.06Å |
| 96 | M | 84.3 | Confident | 82.9 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 17% | 0.172 | 31% | 0.305 | C | S | . | . | trans | -71 | 134 | 174.2 | -65 | -176.6 | -175.1 | 0 | 0 | 110.9 | E92 L93 L94 E101 R102 R105 | E92-M96 HydrophobicContact CG-CE 4.1Å; E92-M96 PolarHBondContact O-N 3.27Å; E92-M96 WeakPolarHBondContact OE1-CE 3.22Å; L93-M96 PolarHBondContact O-N 3.47Å; L94-M96 VanDerWaalsContact C-N 3.33Å; M96-E101 HydrophobicContact SD-CB 4.05Å; M96-R102 HydrophobicContact CB-CG 3.69Å; M96-R102 HydrophobicContact CG-CG 4.45Å; M96-R102 VanDerWaalsContact O-CZ 3.27Å; M96-R102 PolarHBondContact O-NE 3.48Å; M96-R102 PolarHBondContact O-NH2 3.28Å; M96-R102 HydrophobicContact SD-CG 4.16Å; M96-R105 HydrophobicContact CE-CB 3.9Å; M96-R105 HydrophobicContact CE-CG 3.78Å; M96-R105 HydrophobicContact SD-CB 4.25Å | ||
| 97 | P | 79.7 | Confident | 83.8 | Confident | 119 Ų | 119 | 58.9 Ų | 58.9 | 77% | 0.773 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -80.2 | -19.3 | -176.2 | 31.7 | -35.5 | 0 | 0 | 0 | 113.6 | ||
| 98 | S | 87 | Confident | 84.4 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | trans | -121.1 | 135 | -173.9 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | V100 E101 R102 | S98-V100 PolarHBondContact O-N 2.88Å; S98-V100 PolarHBondContact OG-N 3.32Å; S98-E101 PolarHBondContact O-N 2.85Å; S98-E101 VanDerWaalsContact O-N 3.16Å; S98-R102 WeakPolarHBondContact O-CG 3.27Å; S98-R102 PolarHBondContact O-N 3.48Å; S98-R102 VanDerWaalsContact O-N 3.13Å | ||
| 99 | D | 87.4 | Confident | 84.4 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -23.3 | 175.2 | -54.5 | -58.1 | 0 | 0 | 0 | 112.3 | R102 A103 L125 R129 | D99-R102 IonicContact OD1-CZ 3.83Å; D99-R102 IonicContact OD1-NH1 2.94Å; D99-R102 PolarHBondContact OD1-NH1 2.92Å; D99-A103 VanDerWaalsContact O-CB 3.23Å; D99-A103 WeakPolarHBondContact O-CB 3.44Å; D99-A103 PolarHBondContact O-N 3.25Å; D99-L125 HydrophobicContact CB-CD1 4.3Å; D99-L125 HydrophobicContact CB-CD2 4.49Å; D99-R129 IonicContact OD1-CZ 2.66Å; D99-R129 IonicContact OD1-NH1 2.9Å; D99-R129 IonicContact OD1-NH2 3.85Å; D99-R129 IonicContact OD2-CZ 3.65Å; D99-R129 IonicContact OD2-NH1 2.88Å; D99-R129 PolarHBondContact OD2-NH1 3.5Å; D99-R129 IonicContact OD2-NH2 2.84Å; D99-R129 PolarHBondContact OD2-NH2 3.02Å |
| 100 | V | 88 | Confident | 84.2 | Confident | 112 Ų | 112 | 54.8 Ų | 54.8 | 68% | 0.679 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.3 | -42 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | S98 A103 A104 | S98-V100 PolarHBondContact O-N 2.88Å; S98-V100 PolarHBondContact OG-N 3.32Å; V100-A103 PolarHBondContact O-N 3.44Å; V100-A104 WeakPolarHBondContact O-CB 3.09Å; V100-A104 PolarHBondContact O-N 2.75Å |
| 101 | E | 89 | Confident | 83.7 | Confident | 104 Ų | 104 | 59.5 Ų | 59.5 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 177.9 | -67 | 178.2 | 119.2 | 0 | 0 | 110.6 | M96 S98 A103 A104 R105 | M96-E101 HydrophobicContact SD-CB 4.05Å; S98-E101 PolarHBondContact O-N 2.85Å; S98-E101 VanDerWaalsContact O-N 3.16Å; E101-A103 PolarHBondContact O-N 3.19Å; E101-A104 PolarHBondContact O-N 2.82Å; E101-R105 WeakPolarHBondContact O-CB 3.09Å; E101-R105 PolarHBondContact O-N 3.46Å |
| 102 | R | 89.3 | Confident | 83 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 11% | 0.106 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 173.8 | -64.5 | 172.4 | -174.6 | 177.4 | -12.2 | 111.5 | L93 L94 M96 S98 D99 A104 R105 V106 L125 | L93-R102 HydrophobicContact CB-CG 4.4Å; L93-R102 HydrophobicContact CD2-CB 4.19Å; L93-R102 HydrophobicContact CD2-CG 4.48Å; L93-R102 VanDerWaalsContact O-CD 3.3Å; L93-R102 WeakPolarHBondContact O-CD 3.32Å; L93-R102 WeakPolarHBondContact O-CG 3.28Å; L93-R102 PolarHBondContact O-NE 3.38Å; L94-R102 PolarHBondContact O-NH2 3.43Å; M96-R102 HydrophobicContact CB-CG 3.69Å; M96-R102 HydrophobicContact CG-CG 4.45Å; M96-R102 VanDerWaalsContact O-CZ 3.27Å; M96-R102 PolarHBondContact O-NE 3.48Å; M96-R102 PolarHBondContact O-NH2 3.28Å; M96-R102 HydrophobicContact SD-CG 4.16Å; S98-R102 WeakPolarHBondContact O-CG 3.27Å; S98-R102 PolarHBondContact O-N 3.48Å; S98-R102 VanDerWaalsContact O-N 3.13Å; D99-R102 IonicContact OD1-CZ 3.83Å; D99-R102 IonicContact OD1-NH1 2.94Å; D99-R102 PolarHBondContact OD1-NH1 2.92Å; R102-A104 PolarHBondContact O-N 2.8Å; R102-R105 PolarHBondContact O-N 2.66Å; R102-V106 WeakPolarHBondContact O-CG2 3.49Å; R102-V106 PolarHBondContact O-N 2.82Å; R102-L125 HydrophobicContact CB-CD2 3.34Å; R102-L125 HydrophobicContact CG-CD2 4.25Å |
| 103 | A | 86.9 | Confident | 82.2 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D99 V100 E101 R105 V106 K107 I121 L125 | D99-A103 VanDerWaalsContact O-CB 3.23Å; D99-A103 WeakPolarHBondContact O-CB 3.44Å; D99-A103 PolarHBondContact O-N 3.25Å; V100-A103 PolarHBondContact O-N 3.44Å; E101-A103 PolarHBondContact O-N 3.19Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 3.13Å; A103-V106 PolarHBondContact O-N 3.1Å; A103-K107 WeakPolarHBondContact O-CG 3.43Å; A103-K107 PolarHBondContact O-N 2.95Å; A103-I121 HydrophobicContact CB-CG2 3.62Å; A103-L125 HydrophobicContact CB-CD1 4.03Å |
| 104 | A | 88.4 | Confident | 81.2 | Confident | 47 Ų | 47 | 69 Ų | 69 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V100 E101 R102 V106 K107 D108 | V100-A104 WeakPolarHBondContact O-CB 3.09Å; V100-A104 PolarHBondContact O-N 2.75Å; E101-A104 PolarHBondContact O-N 2.82Å; R102-A104 PolarHBondContact O-N 2.8Å; A104-V106 PolarHBondContact O-N 2.87Å; A104-K107 WeakPolarHBondContact O-CB 3.28Å; A104-K107 PolarHBondContact O-N 3.05Å; A104-D108 PolarHBondContact O-N 2.9Å |
| 105 | R | 86.7 | Confident | 80.7 | Confident | 96 Ų | 96 | 71.4 Ų | 71.4 | 36% | 0.362 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 177.7 | -168.5 | 64 | 172.7 | 121.5 | 7.8 | 112.6 | E92 L93 M96 E101 R102 A103 D108 L109 | E92-R105 IonicContact OE1-CZ 2.62Å; E92-R105 IonicContact OE1-NE 3.82Å; E92-R105 PolarHBondContact OE1-NE 3.27Å; E92-R105 IonicContact OE1-NH2 3.69Å; E92-R105 IonicContact OE2-NH2 2.8Å; L93-R105 HydrophobicContact CD2-CB 4.19Å; L93-R105 HydrophobicContact CD2-CG 4.33Å; M96-R105 HydrophobicContact CE-CB 3.9Å; M96-R105 HydrophobicContact CE-CG 3.78Å; M96-R105 HydrophobicContact SD-CB 4.25Å; E101-R105 WeakPolarHBondContact O-CB 3.09Å; E101-R105 PolarHBondContact O-N 3.46Å; R102-R105 PolarHBondContact O-N 2.66Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 3.13Å; R105-D108 PolarHBondContact O-N 3.06Å; R105-L109 WeakPolarHBondContact O-CD1 3.38Å; R105-L109 WeakPolarHBondContact O-CG 3.4Å; R105-L109 PolarHBondContact O-N 3.15Å; R105-L109 VanDerWaalsContact O-N 3.12Å |
| 106 | V | 83.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | L93 R102 A103 A104 L109 L110 F120 I121 L124 | L93-V106 HydrophobicContact CD1-CG2 3.86Å; L93-V106 HydrophobicContact CD2-CG2 3.95Å; R102-V106 WeakPolarHBondContact O-CG2 3.49Å; R102-V106 PolarHBondContact O-N 2.82Å; A103-V106 PolarHBondContact O-N 3.1Å; A104-V106 PolarHBondContact O-N 2.87Å; V106-L109 WeakPolarHBondContact O-CB 3.43Å; V106-L109 PolarHBondContact O-N 2.98Å; V106-L110 HydrophobicContact CG1-CD1 3.77Å; V106-L110 HydrophobicContact CG1-CG 4.39Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.16Å; V106-L110 PolarHBondContact O-N 3.35Å; V106-F120 HydrophobicContact CG1-CD1 4.3Å; V106-F120 HydrophobicContact CG1-CE1 3.82Å; V106-I121 HydrophobicContact CB-CG1 4.3Å; V106-I121 HydrophobicContact CG1-CG1 3.78Å; V106-L124 HydrophobicContact CB-CD2 4.45Å; V106-L124 HydrophobicContact CG1-CD2 3.88Å; V106-L124 HydrophobicContact CG2-CD2 3.7Å |
| 107 | K | 83.2 | Confident | 80.3 | Confident | 87 Ų | 87 | 70.6 Ų | 70.6 | 38% | 0.378 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 173.1 | -75.2 | -176.5 | 177.5 | -170.5 | 0 | 112 | A103 A104 L109 L110 V111 E118 I121 | A103-K107 WeakPolarHBondContact O-CG 3.43Å; A103-K107 PolarHBondContact O-N 2.95Å; A104-K107 WeakPolarHBondContact O-CB 3.28Å; A104-K107 PolarHBondContact O-N 3.05Å; K107-L109 PolarHBondContact O-N 2.94Å; K107-L110 CarbonylContact O-C 3.49Å; K107-L110 PolarHBondContact O-N 3.34Å; K107-L110 VanDerWaalsContact O-N 3.13Å; K107-V111 WeakPolarHBondContact O-CG2 3.36Å; K107-V111 PolarHBondContact O-N 3.45Å; K107-E118 IonicContact NZ-OE1 3.17Å; K107-E118 PolarHBondContact NZ-OE1 3.38Å; K107-E118 VanDerWaalsContact NZ-OE1 3.17Å; K107-I121 HydrophobicContact CB-CD1 4.47Å; K107-I121 HydrophobicContact CD-CD1 3.95Å; K107-I121 HydrophobicContact CG-CD1 3.23Å; K107-I121 HydrophobicContact CG-CG1 4.45Å |
| 108 | D | 83.6 | Confident | 80.5 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.4 | -23.3 | 176.1 | -83.1 | -18.1 | 0 | 0 | 0 | 113.3 | A104 R105 V111 | A104-D108 PolarHBondContact O-N 2.9Å; R105-D108 PolarHBondContact O-N 3.06Å; D108-V111 VanDerWaalsContact C-CG2 3.48Å; D108-V111 WeakPolarHBondContact O-CG2 2.98Å |
| 109 | L | 79.4 | Confident | 80.4 | Confident | 37 Ų | 37 | 74.1 Ų | 74.1 | 19% | 0.194 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -78.3 | -36.6 | 170.9 | -80.3 | 158.8 | 0 | 0 | 0 | 110.7 | L86 R105 V106 K107 V111 | L86-L109 HydrophobicContact CD1-CB 3.79Å; L86-L109 HydrophobicContact CD1-CD2 3.54Å; L86-L109 HydrophobicContact CD1-CG 4.29Å; L86-L109 WeakPolarHBondContact CD1-O 3.29Å; L86-L109 HydrophobicContact CD2-CB 4.32Å; L86-L109 HydrophobicContact CG-CB 4.3Å; L86-L109 HydrophobicContact CG-CD2 4.25Å; R105-L109 WeakPolarHBondContact O-CD1 3.38Å; R105-L109 WeakPolarHBondContact O-CG 3.4Å; R105-L109 PolarHBondContact O-N 3.15Å; R105-L109 VanDerWaalsContact O-N 3.12Å; V106-L109 WeakPolarHBondContact O-CB 3.43Å; V106-L109 PolarHBondContact O-N 2.98Å; K107-L109 PolarHBondContact O-N 2.94Å; L109-V111 VanDerWaalsContact C-N 3.32Å; L109-V111 PolarHBondContact O-N 3.34Å |
| 110 | L | 76.8 | Confident | 80.3 | Confident | 5 Ų | 5 | 72.5 Ų | 72.5 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -90.1 | 25.1 | -177.4 | -63.7 | 169.7 | 0 | 0 | 0 | 114.4 | L72 Y76 L86 V106 K107 D112 C113 T117 F120 I121 | L72-L110 HydrophobicContact CD2-CD2 3.63Å; Y76-L110 HydrophobicContact CE2-CD2 4.47Å; L86-L110 HydrophobicContact CD2-CD2 3.76Å; V106-L110 HydrophobicContact CG1-CD1 3.77Å; V106-L110 HydrophobicContact CG1-CG 4.39Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.16Å; V106-L110 PolarHBondContact O-N 3.35Å; K107-L110 CarbonylContact O-C 3.49Å; K107-L110 PolarHBondContact O-N 3.34Å; K107-L110 VanDerWaalsContact O-N 3.13Å; L110-D112 PolarHBondContact O-N 3.47Å; L110-C113 HydrophobicContact CB-CB 4.26Å; L110-C113 VanDerWaalsContact O-CB 3.23Å; L110-C113 WeakPolarHBondContact O-CB 3.35Å; L110-C113 PolarHBondContact O-N 2.94Å; L110-T117 HydrophobicContact CB-CG2 4.12Å; L110-T117 HydrophobicContact CD1-CG2 3.75Å; L110-T117 HydrophobicContact CG-CG2 4.45Å; L110-F120 HydrophobicContact CD1-CD1 3.58Å; L110-F120 HydrophobicContact CD1-CE1 3.72Å; L110-I121 HydrophobicContact CD1-CG1 4.42Å |
| 111 | V | 70.2 | Confident | 80.3 | Confident | 100 Ų | 100 | 67.4 Ų | 67.4 | 61% | 0.606 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.6 | -171.4 | -178.3 | 0 | 0 | 0 | 0 | 112.5 | K107 D108 L109 C113 | K107-V111 WeakPolarHBondContact O-CG2 3.36Å; K107-V111 PolarHBondContact O-N 3.45Å; D108-V111 VanDerWaalsContact C-CG2 3.48Å; D108-V111 WeakPolarHBondContact O-CG2 2.98Å; L109-V111 VanDerWaalsContact C-N 3.32Å; L109-V111 PolarHBondContact O-N 3.34Å; V111-C113 VanDerWaalsContact C-N 3.29Å |
| 112 | D | 64.8 | Low | 80.3 | Confident | 104 Ų | 104 | 65.5 Ų | 65.5 | 56% | 0.556 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1 | 176.5 | -62.6 | -54.9 | 0 | 0 | 0 | 113.3 | L110 F114 | L110-D112 PolarHBondContact O-N 3.47Å; D112-F114 WeakPolarHBondContact O-CD2 3.41Å |
| 113 | C | 67.6 | Low | 80.2 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 12% | 0.122 | 36% | 0.359 | C | S | . | . | trans | -87.3 | 118.1 | 179.2 | -155.1 | 0 | 0 | 0 | 0 | 110.9 | Y76 L110 V111 T117 | Y76-C113 HydrophobicContact CE1-CB 4.35Å; Y76-C113 HydrophobicContact CE2-CB 4.02Å; Y76-C113 WeakPolarHBondContact OH-CB 3.22Å; Y76-C113 PolarHBondContact OH-N 3.11Å; L110-C113 HydrophobicContact CB-CB 4.26Å; L110-C113 VanDerWaalsContact O-CB 3.23Å; L110-C113 WeakPolarHBondContact O-CB 3.35Å; L110-C113 PolarHBondContact O-N 2.94Å; V111-C113 VanDerWaalsContact C-N 3.29Å; C113-T117 HydrophobicContact CB-CG2 3.86Å | ||
| 114 | F | 64.1 | Low | 80.3 | Confident | 209 Ų | 209 | 67.6 Ų | 67.6 | 92% | 0.917 | 35% | 0.352 | S | S | * | . | trans | -88.5 | -2.4 | 179.1 | -67.3 | -86 | 0 | 0 | 0 | 113.9 | D112 | D112-F114 WeakPolarHBondContact O-CD2 3.41Š| ||
| 115 | K | 71.9 | Confident | 80.2 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -95.7 | 159.5 | 178.3 | -70.5 | -161.3 | -162.9 | 174.7 | 0 | 110.9 | D74 L75 D77 T117 | D74-K115 PolarHBondContact O-NZ 3.3Å; L75-K115 HydrophobicContact CD2-CB 3.73Å; L75-K115 WeakPolarHBondContact O-CD 3.43Å; L75-K115 WeakPolarHBondContact O-CE 3.11Å; L75-K115 WeakPolarHBondContact O-CG 3.3Å; D77-K115 IonicContact OD2-NZ 3.6Å; D77-K115 PolarHBondContact OD2-NZ 3.28Å; K115-T117 PolarHBondContact O-N 2.91Å; K115-T117 VanDerWaalsContact O-N 3.12Å |
| 116 | P | 76.4 | Confident | 80.3 | Confident | 102 Ų | 102 | 66.8 Ų | 66.8 | 66% | 0.662 | 35% | 0.348 | S | S | * | . | trans | -63.2 | 114.7 | 175.4 | 25.7 | -34.2 | 0 | 0 | 0 | 110.8 | ||||
| 117 | T | 81.9 | Confident | 80.3 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 13% | 0.129 | 37% | 0.365 | C | S | . | . | trans | -94.9 | -2.3 | 178.9 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | L75 L110 C113 K115 D119 F120 I121 | L75-T117 HydrophobicContact CD2-CG2 4.19Å; L110-T117 HydrophobicContact CB-CG2 4.12Å; L110-T117 HydrophobicContact CD1-CG2 3.75Å; L110-T117 HydrophobicContact CG-CG2 4.45Å; C113-T117 HydrophobicContact CB-CG2 3.86Å; K115-T117 PolarHBondContact O-N 2.91Å; K115-T117 VanDerWaalsContact O-N 3.12Å; T117-D119 PolarHBondContact O-N 3.15Å; T117-F120 WeakPolarHBondContact O-CB 3.22Å; T117-F120 PolarHBondContact O-N 2.82Å; T117-I121 VanDerWaalsContact O-CD1 3.26Å; T117-I121 WeakPolarHBondContact O-CD1 3.4Å; T117-I121 WeakPolarHBondContact O-CG1 3.38Å; T117-I121 PolarHBondContact O-N 2.87Å | ||
| 118 | E | 83.8 | Confident | 80.4 | Confident | 124 Ų | 124 | 66.6 Ų | 66.6 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | -174.6 | -60.6 | -154.9 | 111 | 0 | 0 | 112.9 | K107 I121 S122 | K107-E118 IonicContact NZ-OE1 3.17Å; K107-E118 PolarHBondContact NZ-OE1 3.38Å; K107-E118 VanDerWaalsContact NZ-OE1 3.17Å; E118-I121 PolarHBondContact O-N 2.97Å; E118-S122 WeakPolarHBondContact O-CB 3.29Å; E118-S122 PolarHBondContact O-N 3.34Å; E118-S122 PolarHBondContact O-OG 3.04Å |
| 119 | D | 85.7 | Confident | 80.3 | Confident | 114 Ų | 114 | 68.3 Ų | 68.3 | 61% | 0.61 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.6 | -46.7 | 175.3 | -65.3 | -61.1 | 0 | 0 | 0 | 111 | T117 I121 S122 E123 | T117-D119 PolarHBondContact O-N 3.15Å; D119-I121 PolarHBondContact O-N 3.13Å; D119-S122 PolarHBondContact O-N 2.98Å; D119-E123 PolarHBondContact O-N 3.45Å |
| 120 | F | 85.1 | Confident | 80.2 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 175.5 | 170.3 | -101.3 | 0 | 0 | 0 | 112.2 | W67 I68 Q71 L75 I88 V106 L110 T117 S122 E123 L124 | W67-F120 AromaticContact CH2-CD2 3.73Å; W67-F120 HydrophobicContact CH2-CD2 3.73Å; W67-F120 AromaticContact CH2-CE2 3.82Å; W67-F120 HydrophobicContact CH2-CE2 3.82Å; W67-F120 HydrophobicContact CZ2-CD2 4.23Å; W67-F120 HydrophobicContact CZ3-CD2 4.22Å; W67-F120 AromaticContact CZ3-CE2 3.83Å; W67-F120 HydrophobicContact CZ3-CE2 3.83Å; I68-F120 HydrophobicContact CG1-CE2 4.46Å; I68-F120 HydrophobicContact CG1-CZ 4.43Å; I68-F120 HydrophobicContact CG2-CZ 4.34Å; Q71-F120 HydrophobicContact CB-CD2 3.52Å; Q71-F120 HydrophobicContact CB-CE2 3.74Å; Q71-F120 HydrophobicContact CG-CD2 3.96Å; Q71-F120 HydrophobicContact CG-CE2 4.35Å; L75-F120 HydrophobicContact CD1-CB 4Å; L75-F120 HydrophobicContact CD1-CD2 4.32Å; L75-F120 HydrophobicContact CD1-CG 4.07Å; I88-F120 HydrophobicContact CD1-CE1 4.28Å; I88-F120 HydrophobicContact CD1-CZ 4Å; V106-F120 HydrophobicContact CG1-CD1 4.3Å; V106-F120 HydrophobicContact CG1-CE1 3.82Å; L110-F120 HydrophobicContact CD1-CD1 3.58Å; L110-F120 HydrophobicContact CD1-CE1 3.72Å; T117-F120 WeakPolarHBondContact O-CB 3.22Å; T117-F120 PolarHBondContact O-N 2.82Å; F120-S122 VanDerWaalsContact C-N 3.35Å; F120-S122 PolarHBondContact O-N 2.74Å; F120-E123 PolarHBondContact O-N 3.03Å; F120-L124 HydrophobicContact CE1-CD2 3.98Å; F120-L124 HydrophobicContact CZ-CD2 4.06Å; F120-L124 WeakPolarHBondContact O-CB 3.44Å; F120-L124 PolarHBondContact O-N 2.81Å |
| 121 | I | 87.1 | Confident | 80.3 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 180 | -66.6 | 155.5 | 0 | 0 | 0 | 110.3 | A103 V106 K107 L110 T117 E118 D119 L124 L125 | A103-I121 HydrophobicContact CB-CG2 3.62Å; V106-I121 HydrophobicContact CB-CG1 4.3Å; V106-I121 HydrophobicContact CG1-CG1 3.78Å; K107-I121 HydrophobicContact CB-CD1 4.47Å; K107-I121 HydrophobicContact CD-CD1 3.95Å; K107-I121 HydrophobicContact CG-CD1 3.23Å; K107-I121 HydrophobicContact CG-CG1 4.45Å; L110-I121 HydrophobicContact CD1-CG1 4.42Å; T117-I121 VanDerWaalsContact O-CD1 3.26Å; T117-I121 WeakPolarHBondContact O-CD1 3.4Å; T117-I121 WeakPolarHBondContact O-CG1 3.38Å; T117-I121 PolarHBondContact O-N 2.87Å; E118-I121 PolarHBondContact O-N 2.97Å; D119-I121 PolarHBondContact O-N 3.13Å; I121-L124 PolarHBondContact O-N 3.36Å; I121-L125 HydrophobicContact CG2-CD1 3.91Å; I121-L125 HydrophobicContact CG2-CG 4.34Å; I121-L125 WeakPolarHBondContact O-CB 3.43Å; I121-L125 WeakPolarHBondContact O-CG 3.4Å; I121-L125 PolarHBondContact O-N 3.3Å |
| 122 | S | 89 | Confident | 80.4 | Confident | 64 Ų | 64 | 70.9 Ų | 70.9 | 45% | 0.448 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 179.3 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | E118 D119 F120 L125 D126 | E118-S122 WeakPolarHBondContact O-CB 3.29Å; E118-S122 PolarHBondContact O-N 3.34Å; E118-S122 PolarHBondContact O-OG 3.04Å; D119-S122 PolarHBondContact O-N 2.98Å; F120-S122 VanDerWaalsContact C-N 3.35Å; F120-S122 PolarHBondContact O-N 2.74Å; S122-L125 PolarHBondContact O-N 3.12Å; S122-D126 PolarHBondContact O-N 3.49Å |
| 123 | E | 88.6 | Confident | 80.7 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 43% | 0.425 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 177 | -74.2 | -168.7 | -151.9 | 0 | 0 | 112.5 | W67 D119 F120 L125 D126 K127 | W67-E123 HydrophobicContact CH2-CB 3.63Å; W67-E123 HydrophobicContact CZ2-CB 3.39Å; W67-E123 HydrophobicContact CZ2-CG 4.32Å; W67-E123 VanDerWaalsContact CZ2-OE2 3.28Å; W67-E123 WeakPolarHBondContact CZ2-OE2 3.45Å; D119-E123 PolarHBondContact O-N 3.45Å; F120-E123 PolarHBondContact O-N 3.03Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-L125 PolarHBondContact O-N 3.18Å; E123-D126 PolarHBondContact O-N 3.2Å; E123-K127 WeakPolarHBondContact O-CG 3.44Å; E123-K127 PolarHBondContact O-N 2.86Å |
| 124 | L | 87.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.8 | 175.4 | 59.8 | 0 | 0 | 0 | 110.2 | L64 W67 I68 I88 L93 V106 F120 I121 D126 K127 I128 | L64-L124 HydrophobicContact CD1-CD1 4.02Å; L64-L124 HydrophobicContact CD2-CD1 4.44Å; W67-L124 HydrophobicContact CH2-CB 3.92Å; W67-L124 HydrophobicContact CZ3-CB 3.86Å; W67-L124 HydrophobicContact CZ3-CD1 4.02Å; I68-L124 HydrophobicContact CD1-CD1 3.84Å; I68-L124 HydrophobicContact CG1-CD1 4.13Å; I88-L124 HydrophobicContact CD1-CD2 4.4Å; I88-L124 HydrophobicContact CG2-CD2 4.3Å; L93-L124 HydrophobicContact CD1-CD2 4.35Å; V106-L124 HydrophobicContact CB-CD2 4.45Å; V106-L124 HydrophobicContact CG1-CD2 3.88Å; V106-L124 HydrophobicContact CG2-CD2 3.7Å; F120-L124 HydrophobicContact CE1-CD2 3.98Å; F120-L124 HydrophobicContact CZ-CD2 4.06Å; F120-L124 WeakPolarHBondContact O-CB 3.44Å; F120-L124 PolarHBondContact O-N 2.81Å; I121-L124 PolarHBondContact O-N 3.36Å; L124-D126 PolarHBondContact O-N 2.83Å; L124-K127 PolarHBondContact O-N 3.01Å; L124-I128 HydrophobicContact CD1-CG2 4.06Å; L124-I128 WeakPolarHBondContact O-CG1 3.47Å; L124-I128 WeakPolarHBondContact O-CG2 3.21Å; L124-I128 PolarHBondContact O-N 3.35Å |
| 125 | L | 86.8 | Confident | 80.3 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 9% | 0.094 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 176.8 | -69.1 | 171.6 | 0 | 0 | 0 | 111.9 | D99 R102 A103 I121 S122 E123 K127 I128 R129 | D99-L125 HydrophobicContact CB-CD1 4.3Å; D99-L125 HydrophobicContact CB-CD2 4.49Å; R102-L125 HydrophobicContact CB-CD2 3.34Å; R102-L125 HydrophobicContact CG-CD2 4.25Å; A103-L125 HydrophobicContact CB-CD1 4.03Å; I121-L125 HydrophobicContact CG2-CD1 3.91Å; I121-L125 HydrophobicContact CG2-CG 4.34Å; I121-L125 WeakPolarHBondContact O-CB 3.43Å; I121-L125 WeakPolarHBondContact O-CG 3.4Å; I121-L125 PolarHBondContact O-N 3.3Å; S122-L125 PolarHBondContact O-N 3.12Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-L125 PolarHBondContact O-N 3.18Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.92Å; L125-I128 HydrophobicContact CD2-CD1 4.01Å; L125-I128 VanDerWaalsContact O-CG1 3.27Å; L125-I128 WeakPolarHBondContact O-CG1 3.29Å; L125-I128 PolarHBondContact O-N 3.01Å; L125-R129 WeakPolarHBondContact O-CG 3.43Å; L125-R129 PolarHBondContact O-N 2.93Å |
| 126 | D | 89.1 | Confident | 79.2 | Confident | 108 Ų | 108 | 64.6 Ų | 64.6 | 58% | 0.578 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.2 | -38 | 177.6 | -82.1 | -24.8 | 0 | 0 | 0 | 112.5 | S122 E123 L124 R129 | S122-D126 PolarHBondContact O-N 3.49Å; E123-D126 PolarHBondContact O-N 3.2Å; L124-D126 PolarHBondContact O-N 2.83Å; D126-R129 IonicContact OD1-NE 2.99Å |
| 127 | K | 84.7 | Confident | 77.7 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 176 | -70.9 | -174.3 | -177.2 | -155.3 | 0 | 112 | L64 W67 E123 L124 L125 G130 M131 | L64-K127 HydrophobicContact CD1-CB 3.6Å; L64-K127 HydrophobicContact CD1-CD 3.58Å; L64-K127 HydrophobicContact CD1-CG 4.22Å; W67-K127 HydrophobicContact CD2-CD 3.89Å; W67-K127 HydrophobicContact CE3-CD 3.78Å; W67-K127 HydrophobicContact CG-CD 4.42Å; W67-K127 HydrophobicContact CZ3-CD 4.14Å; E123-K127 WeakPolarHBondContact O-CG 3.44Å; E123-K127 PolarHBondContact O-N 2.86Å; L124-K127 PolarHBondContact O-N 3.01Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.92Å; K127-G130 PolarHBondContact O-N 3.33Å; K127-M131 WeakPolarHBondContact O-CG 3.39Å |
| 128 | I | 83.9 | Confident | 76 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.3 | -27 | 179.4 | 68.3 | 179.4 | 0 | 0 | 0 | 112.7 | L64 V90 L93 L94 L124 L125 G130 M131 | L64-I128 HydrophobicContact CD2-CG2 3.81Å; V90-I128 HydrophobicContact CG1-CB 4.35Å; V90-I128 HydrophobicContact CG1-CG2 3.68Å; L93-I128 HydrophobicContact CB-CD1 3.79Å; L93-I128 HydrophobicContact CD1-CD1 4.07Å; L94-I128 HydrophobicContact CD2-CB 4.38Å; L94-I128 WeakPolarHBondContact CD2-O 3.43Å; L124-I128 HydrophobicContact CD1-CG2 4.06Å; L124-I128 WeakPolarHBondContact O-CG1 3.47Å; L124-I128 WeakPolarHBondContact O-CG2 3.21Å; L124-I128 PolarHBondContact O-N 3.35Å; L125-I128 HydrophobicContact CD2-CD1 4.01Å; L125-I128 VanDerWaalsContact O-CG1 3.27Å; L125-I128 WeakPolarHBondContact O-CG1 3.29Å; L125-I128 PolarHBondContact O-N 3.01Å; I128-G130 PolarHBondContact O-N 3.33Å; I128-M131 HydrophobicContact CG2-SD 4.35Å; I128-M131 WeakPolarHBondContact O-CB 3.42Å; I128-M131 PolarHBondContact O-N 3.09Å |
| 129 | R | 82.1 | Confident | 73.9 | Confident | 147 Ų | 147 | 74 Ų | 74 | 56% | 0.555 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -55.6 | -34.6 | 172.5 | -84.4 | -173.7 | -163.7 | -77.8 | 6 | 112.6 | D99 L125 D126 M131 | D99-R129 IonicContact OD1-CZ 2.66Å; D99-R129 IonicContact OD1-NH1 2.9Å; D99-R129 IonicContact OD1-NH2 3.85Å; D99-R129 IonicContact OD2-CZ 3.65Å; D99-R129 IonicContact OD2-NH1 2.88Å; D99-R129 PolarHBondContact OD2-NH1 3.5Å; D99-R129 IonicContact OD2-NH2 2.84Å; D99-R129 PolarHBondContact OD2-NH2 3.02Å; L125-R129 WeakPolarHBondContact O-CG 3.43Å; L125-R129 PolarHBondContact O-N 2.93Å; D126-R129 IonicContact OD1-NE 2.99Å; R129-M131 VanDerWaalsContact C-N 3.33Å |
| 130 | G | 77.1 | Confident | 71.6 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 45% | 0.454 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 0.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | K60 K127 I128 | K60-G130 PolarHBondContact NZ-O 2.72Å; K127-G130 PolarHBondContact O-N 3.33Å; I128-G130 PolarHBondContact O-N 3.33Å |
| 131 | M | 78.6 | Confident | 71 | Confident | 11 Ų | 11 | 85.6 Ų | 85.6 | 5% | 0.054 | 43% | 0.431 | C | S | . | . | trans | -93.8 | 149 | -179.3 | -69.6 | -178.5 | 84.8 | 0 | 0 | 112 | E57 R61 L64 K127 I128 R129 | E57-M131 WeakPolarHBondContact OE1-CA 3.48Å; E57-M131 WeakPolarHBondContact OE1-CB 3.39Å; R61-M131 HydrophobicContact CB-CE 3.95Å; R61-M131 HydrophobicContact CG-CE 4.44Å; L64-M131 HydrophobicContact CB-SD 4.31Å; L64-M131 HydrophobicContact CD2-CE 4.11Å; L64-M131 HydrophobicContact CD2-SD 3.36Å; L64-M131 WeakPolarHBondContact CD2-SD 3.04Å; L64-M131 HydrophobicContact CG-SD 4.36Å; K127-M131 WeakPolarHBondContact O-CG 3.39Å; I128-M131 HydrophobicContact CG2-SD 4.35Å; I128-M131 WeakPolarHBondContact O-CB 3.42Å; I128-M131 PolarHBondContact O-N 3.09Å; R129-M131 VanDerWaalsContact C-N 3.33Å | ||
| 132 | Q | 73.2 | Confident | 70.1 | Confident | 142 Ų | 142 | 89.8 Ų | 89.8 | 66% | 0.664 | 45% | 0.453 | S | S | * | . | trans | -104.8 | 134.2 | 172.7 | -71.3 | -69 | -74.9 | 0 | 0 | 108.7 | E57 L134 | E57-Q132 HydrophobicContact CG-CB 4.3Å; E57-Q132 PolarHBondContact OE1-N 2.92Å; Q132-L134 PolarHBondContact O-N 2.91Å | ||
| 133 | K | 70.6 | Confident | 69.1 | Low | 90 Ų | 90 | 91.3 Ų | 91.3 | 39% | 0.391 | 45% | 0.453 | S | S | . | . | trans | -54.7 | 118 | 174.5 | -165.5 | 175.6 | -170.8 | 175.7 | 0 | 108.4 | L94 D95 S135 | L94-K133 HydrophobicContact CD1-CB 4.27Å; D95-K133 IonicContact OD1-NZ 3.13Å; D95-K133 PolarHBondContact OD1-NZ 2.83Å; D95-K133 IonicContact OD2-NZ 3.8Å; D95-K133 PolarHBondContact OD2-NZ 3.06Å; K133-S135 PolarHBondContact O-N 3.06Å | ||
| 134 | L | 65.4 | Low | 67.9 | Low | 32 Ų | 32 | 91.3 Ų | 91.3 | 17% | 0.168 | 46% | 0.455 | C | S | . | . | trans | -74.2 | 80.3 | 177.1 | -71.7 | 177 | 0 | 0 | 0 | 106.9 | Y53 E57 L58 R61 Q132 T136 | Y53-L134 HydrophobicContact CD1-CB 3.76Å; Y53-L134 HydrophobicContact CD1-CD1 4.19Å; Y53-L134 HydrophobicContact CD1-CD2 3.78Å; Y53-L134 HydrophobicContact CD1-CG 4.11Å; Y53-L134 HydrophobicContact CE1-CB 3.77Å; Y53-L134 HydrophobicContact CE1-CD1 4.47Å; Y53-L134 HydrophobicContact CG-CD2 4.45Å; E57-L134 HydrophobicContact CB-CD2 4.05Å; E57-L134 HydrophobicContact CG-CD2 3.72Å; E57-L134 HydrophobicContact CG-CG 4.42Å; L58-L134 HydrophobicContact CD2-CD1 4.09Å; R61-L134 HydrophobicContact CB-CD1 4.47Å; R61-L134 HydrophobicContact CG-CD1 4.41Å; Q132-L134 PolarHBondContact O-N 2.91Å; L134-T136 PolarHBondContact O-N 3.47Å | ||
| 135 | S | 56.9 | Low | 66.7 | Low | 91 Ų | 91 | 97 Ų | 97 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | trans | -58.8 | 103.7 | -172.1 | -158.5 | 0 | 0 | 0 | 0 | 109.9 | V51 K133 | V51-S135 WeakPolarHBondContact CG1-O 3.1Å; K133-S135 PolarHBondContact O-N 3.06Å | ||
| 136 | T | 50.5 | Low | 65.3 | Low | 68 Ų | 68 | 102.3 Ų | 102.3 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | trans | -68.4 | 126.6 | 160.4 | 55.9 | 0 | 0 | 0 | 0 | 106.2 | V51 L134 Q138 | V51-T136 HydrophobicContact CG1-CG2 4.46Å; V51-T136 HydrophobicContact CG2-CG2 4.29Å; L134-T136 PolarHBondContact O-N 3.47Å; T136-Q138 VanDerWaalsContact C-N 3.27Å; T136-Q138 PolarHBondContact O-N 3.42Å | ||
| 137 | P | 44.3 | Very low | 63.6 | Low | 85 Ų | 85 | 101.9 Ų | 101.9 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | trans | -67.8 | 95.5 | 173.3 | 28.2 | -29.6 | 0 | 0 | 0 | 106.4 | V51 K139 | V51-P137 VanDerWaalsContact CG2-CD 3.43Å; V51-P137 HydrophobicContact CG2-CG 4.26Å; P137-K139 PolarHBondContact O-N 3.42Å | ||
| 138 | Q | 46.4 | Very low | 62 | Low | 169 Ų | 169 | 103.4 Ų | 103.4 | 79% | 0.79 | 52% | 0.516 | S | S | * | . | trans | -59.9 | 111.9 | 167.3 | -66.2 | -165.6 | 19.5 | 0 | 0 | 106.7 | T136 K140 | T136-Q138 VanDerWaalsContact C-N 3.27Å; T136-Q138 PolarHBondContact O-N 3.42Å; Q138-K140 PolarHBondContact O-N 3.47Å; Q138-K140 VanDerWaalsContact O-N 3.15Å | ||
| 139 | K | 39.3 | Very low | 60.2 | Low | 189 Ų | 189 | 112 Ų | 112 | 82% | 0.822 | 56% | 0.558 | S | S | * | * | trans | -58.4 | 118.4 | 171.3 | -88.9 | -175.8 | 171.1 | 175.6 | 0 | 107.8 | P137 | P137-K139 PolarHBondContact O-N 3.42Š| ||
| 140 | K | 37.8 | Very low | 58.2 | Low | 276 Ų | 276 | 108.8 Ų | 108.8 | 100% | 1.2 | 56% | 0.559 | S | S | * | * | trans | -66.7 | 0 | 161.7 | -70.9 | -177.2 | 174.9 | -178.4 | 0 | 110.8 | Q138 | Q138-K140 PolarHBondContact O-N 3.47Å; Q138-K140 VanDerWaalsContact O-N 3.15Å |
Retrieved 140 of 140 residues in 37.2 ms
(Link to these results)