| 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 | 38.6 | Very low | 40.4 | Very low | 252 Ų | 252 | 131.8 Ų | 131.8 | 100% | 1.241 | 84% | 0.842 | S | S | * | * | 0 | 138.7 | 0 | -75.2 | 172.9 | 168.6 | 0 | 0 | 107.3 | |||||
| 2 | A | 38.5 | Very low | 39.8 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | trans | -113.3 | 154.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3 | C | 38.7 | Very low | 39.2 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 93% | 0.932 | 84% | 0.844 | S | S | * | * | trans | -154.2 | 128.9 | 146.2 | -94.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 4 | E | 38.3 | Very low | 39.2 | Very low | 191 Ų | 191 | 123.8 Ų | 123.8 | 89% | 0.893 | 84% | 0.839 | S | S | * | * | trans | -100.6 | 166.5 | 178.2 | -95.2 | -169.7 | 110.6 | 0 | 0 | 111.9 | ||||
| 5 | P | 57.6 | Low | 39.1 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | trans | -83.8 | 171.5 | -177.1 | 37.9 | -38.6 | 0 | 0 | 0 | 113 | ||||
| 6 | P | 44.6 | Very low | 39.4 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | -147.1 | -169.6 | 94.1 | 42.2 | -24.3 | 0 | 0 | 0 | 112.2 | |||||
| 7 | T | 34.9 | Very low | 39.2 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | cis | -151.6 | 168 | 4.4 | -24.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | D | 40.3 | Very low | 38.9 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | -98.8 | 165.4 | 164.7 | -154.7 | -0.3 | 0 | 0 | 0 | 109.8 | G10 | D8-G10 PolarHBondContact OD1-N 2.91Š| ||
| 9 | P | 48.9 | Very low | 38.4 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | -152.4 | 130.6 | 74.6 | 36.6 | -14.5 | 0 | 0 | 0 | 118.3 | |||||
| 10 | G | 32.6 | Very low | 38.1 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | 75 | 135.2 | 125.6 | 0 | 0 | 0 | 0 | 0 | 122 | D8 | D8-G10 PolarHBondContact OD1-N 2.91Š| |||
| 11 | G | 31 | Very low | 37.9 | Very low | 82 Ų | 82 | 126 Ų | 126 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | 169 | 58.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 12 | A | 33.6 | Very low | 37.5 | Very low | 100 Ų | 100 | 117 Ų | 117 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | 5 | 137.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 13 | A | 32.1 | Very low | 37.2 | Very low | 107 Ų | 107 | 117.2 Ų | 117.2 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | 78.1 | 101.5 | 136.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 14 | G | 38.5 | Very low | 37.1 | Very low | 76 Ų | 76 | 117.3 Ų | 117.3 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | -133 | 174.8 | 132.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 15 | P | 38.9 | Very low | 36.8 | Very low | 120 Ų | 120 | 115.3 Ų | 115.3 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | cis | -117.6 | -175.1 | 0.7 | 41.6 | -29.2 | 0 | 0 | 0 | 112.5 | ||||
| 16 | L | 43.3 | Very low | 36 | Very low | 168 Ų | 168 | 116.3 Ų | 116.3 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | trans | -143.7 | 96.6 | 166.9 | -147 | 165.1 | 0 | 0 | 0 | 112 | ||||
| 17 | P | 35.8 | Very low | 35.6 | Very low | 97 Ų | 97 | 115 Ų | 115 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | trans | -113.3 | 108.9 | 160.8 | 32.4 | -19.1 | 0 | 0 | 0 | 110.8 | S19 | P17-S19 PolarHBondContact O-N 3.41Š| ||
| 18 | T | 34.2 | Very low | 35.8 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | trans | 31.7 | 87.3 | 138.7 | -30.9 | 0 | 0 | 0 | 0 | 117.4 | T20 | T18-T20 VanDerWaalsContact C-N 3.25Å; T18-T20 PolarHBondContact O-N 2.84Å | ||
| 19 | S | 28.8 | Very low | 35.9 | Very low | 117 Ų | 117 | 113.9 Ų | 113.9 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -69.3 | 76.4 | 169 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | P17 L21 | P17-S19 PolarHBondContact O-N 3.41Å; S19-L21 PolarHBondContact O-N 3.13Å; S19-L21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | T | 32.3 | Very low | 35.6 | Very low | 126 Ų | 126 | 113.7 Ų | 113.7 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -66.7 | 105.1 | 155.5 | 26.4 | 0 | 0 | 0 | 0 | 108.3 | T18 G22 | T18-T20 VanDerWaalsContact C-N 3.25Å; T18-T20 PolarHBondContact O-N 2.84Å; T20-G22 VanDerWaalsContact C-N 3.27Å; T20-G22 PolarHBondContact O-N 3.42Å | ||
| 21 | L | 34.2 | Very low | 36.4 | Very low | 170 Ų | 170 | 112 Ų | 112 | 89% | 0.89 | 72% | 0.722 | S | S | * | * | trans | -65.3 | 84.6 | 174.3 | -90.2 | 141.8 | 0 | 0 | 0 | 110.5 | S19 C23 | S19-L21 PolarHBondContact O-N 3.13Å; S19-L21 VanDerWaalsContact O-N 3.17Å; L21-C23 PolarHBondContact O-N 3.42Å; L21-C23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | G | 29.8 | Very low | 36.9 | Very low | 62 Ų | 62 | 114.4 Ų | 114.4 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | trans | -67.7 | 102.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | T20 N24 | T20-G22 VanDerWaalsContact C-N 3.27Å; T20-G22 PolarHBondContact O-N 3.42Å; G22-N24 PolarHBondContact O-N 2.96Å | ||
| 23 | C | 32.7 | Very low | 37.6 | Very low | 101 Ų | 101 | 113.1 Ų | 113.1 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | trans | -78.3 | 50.9 | -177.5 | -167.1 | 0 | 0 | 0 | 0 | 112.4 | L21 | L21-C23 PolarHBondContact O-N 3.42Å; L21-C23 VanDerWaalsContact O-N 3.13Å | ||
| 24 | N | 36.3 | Very low | 38.4 | Very low | 140 Ų | 140 | 112.6 Ų | 112.6 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | trans | -138.5 | 146.2 | -176.8 | -72.7 | -49 | 0 | 0 | 0 | 111.4 | G22 | G22-N24 PolarHBondContact O-N 2.96Š| ||
| 25 | I | 32.1 | Very low | 38.7 | Very low | 150 Ų | 150 | 112.5 Ų | 112.5 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | trans | 74.1 | 95.7 | 175.1 | -48.6 | 169.8 | 0 | 0 | 0 | 113.5 | ||||
| 26 | L | 40.6 | Very low | 39.1 | Very low | 133 Ų | 133 | 115.3 Ų | 115.3 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | trans | -57.8 | 125.3 | 152.4 | -163.6 | 161.2 | 0 | 0 | 0 | 106.4 | Q28 | L26-Q28 PolarHBondContact O-N 3.47Å; L26-Q28 VanDerWaalsContact O-N 3.13Å | ||
| 27 | P | 35.8 | Very low | 39.4 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 57% | 0.565 | 69% | 0.692 | S | S | * | * | trans | -59.4 | 121.7 | -167.2 | 20.1 | -31.9 | 0 | 0 | 0 | 111.5 | G29 | P27-G29 PolarHBondContact O-N 3.09Š| ||
| 28 | Q | 40.8 | Very low | 40.3 | Very low | 203 Ų | 203 | 113.8 Ų | 113.8 | 95% | 0.949 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -74.7 | 60.1 | 169.9 | -168 | -175 | 31.2 | 0 | 0 | 109.6 | L26 | L26-Q28 PolarHBondContact O-N 3.47Å; L26-Q28 VanDerWaalsContact O-N 3.13Å |
| 29 | G | 42.1 | Very low | 41 | Very low | 43 Ų | 43 | 114.7 Ų | 114.7 | 44% | 0.443 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -160.8 | 147.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | P27 | P27-G29 PolarHBondContact O-N 3.09Š|
| 30 | N | 43.2 | Very low | 41.9 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 64% | 0.642 | 68% | 0.682 | S | S | * | * | trans | -53.2 | 124.9 | -176.6 | -161.8 | 31.4 | 0 | 0 | 0 | 109.8 | ||||
| 31 | P | 48 | Very low | 43.1 | Very low | 33 Ų | 33 | 115.5 Ų | 115.5 | 21% | 0.214 | 68% | 0.683 | C | S | . | * | trans | -54.6 | 130.1 | -174.3 | 15.3 | -29.9 | 0 | 0 | 0 | 111.6 | G33 W34 W70 | P31-G33 PolarHBondContact O-N 3.24Å; P31-W34 HydrophobicContact CB-CG 4.5Å; P31-W34 VanDerWaalsContact CG-CD1 3.42Å; P31-W34 HydrophobicContact CG-CD2 4.32Å; P31-W34 HydrophobicContact CG-CG 3.9Å; P31-W34 PolarHBondContact O-N 3.42Å; P31-W70 HydrophobicContact CG-CH2 4.07Å; P31-W70 HydrophobicContact CG-CZ3 4.32Å | ||
| 32 | P | 41.6 | Very low | 43.9 | Very low | 134 Ų | 134 | 113.2 Ų | 113.2 | 87% | 0.87 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 98.4 | -171.6 | 27.1 | -34.5 | 0 | 0 | 0 | 110.4 | ||
| 33 | G | 48.7 | Very low | 44.8 | Very low | 73 Ų | 73 | 116.2 Ų | 116.2 | 75% | 0.753 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.1 | -15.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P31 G35 | P31-G33 PolarHBondContact O-N 3.24Å; G33-G35 PolarHBondContact O-N 3.47Å |
| 34 | W | 48.3 | Very low | 45.7 | Very low | 96 Ų | 96 | 115.5 Ų | 115.5 | 36% | 0.364 | 66% | 0.663 | S | S | . | * | trans | -83.8 | 60.7 | -178.8 | -64.8 | 63 | 0 | 0 | 0 | 111.1 | P31 Q36 L38 L44 | P31-W34 HydrophobicContact CB-CG 4.5Å; P31-W34 VanDerWaalsContact CG-CD1 3.42Å; P31-W34 HydrophobicContact CG-CD2 4.32Å; P31-W34 HydrophobicContact CG-CG 3.9Å; P31-W34 PolarHBondContact O-N 3.42Å; W34-Q36 VanDerWaalsContact C-N 3.35Å; W34-L38 HydrophobicContact CE3-CD1 3.84Å; W34-L38 HydrophobicContact CE3-CD2 3.87Å; W34-L38 HydrophobicContact CE3-CG 4.09Å; W34-L38 HydrophobicContact CZ3-CD1 3.51Å; W34-L38 HydrophobicContact CZ3-CD2 3.5Å; W34-L38 HydrophobicContact CZ3-CG 3.95Å; W34-L44 HydrophobicContact CH2-CD1 3.33Å; W34-L44 HydrophobicContact CH2-CD2 3.72Å; W34-L44 HydrophobicContact CH2-CG 4.15Å; W34-L44 HydrophobicContact CZ2-CD1 4.06Å; W34-L44 HydrophobicContact CZ2-CD2 4.44Å; W34-L44 HydrophobicContact CZ3-CD1 3.98Å | ||
| 35 | G | 44.8 | Very low | 46.1 | Very low | 74 Ų | 74 | 114.4 Ų | 114.4 | 76% | 0.763 | 66% | 0.661 | S | S | * | * | trans | -86.8 | 6.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G33 | G33-G35 PolarHBondContact O-N 3.47Š| ||
| 36 | Q | 47.3 | Very low | 47.1 | Very low | 179 Ų | 179 | 113 Ų | 113 | 84% | 0.836 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -138.8 | 142 | 176.1 | -93.7 | 171.3 | 5.7 | 0 | 0 | 110.9 | W34 | W34-Q36 VanDerWaalsContact C-N 3.35Š|
| 37 | E | 50.3 | Low | 47 | Very low | 164 Ų | 164 | 113.6 Ų | 113.6 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 134.8 | -178.6 | -125.6 | 160.1 | 121.9 | 0 | 0 | 111.7 | H39 | E37-H39 PolarHBondContact O-N 3.29Š|
| 38 | L | 53.9 | Low | 47.3 | Very low | 69 Ų | 69 | 117.2 Ų | 117.2 | 36% | 0.361 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 117.4 | 177.4 | -69.3 | 158.6 | 0 | 0 | 0 | 109.4 | W34 I72 | W34-L38 HydrophobicContact CE3-CD1 3.84Å; W34-L38 HydrophobicContact CE3-CD2 3.87Å; W34-L38 HydrophobicContact CE3-CG 4.09Å; W34-L38 HydrophobicContact CZ3-CD1 3.51Å; W34-L38 HydrophobicContact CZ3-CD2 3.5Å; W34-L38 HydrophobicContact CZ3-CG 3.95Å; L38-I72 HydrophobicContact CD1-CD1 3.56Å; L38-I72 HydrophobicContact CD1-CG1 3.84Å |
| 39 | H | 49.1 | Very low | 47.6 | Very low | 135 Ų | 135 | 113.5 Ų | 113.5 | 63% | 0.625 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 144.1 | 179.8 | -64 | -58.3 | 0 | 0 | 0 | 111.4 | E37 G41 Q42 | E37-H39 PolarHBondContact O-N 3.29Å; H39-G41 PolarHBondContact O-N 3.28Å; H39-Q42 WeakPolarHBondContact O-CB 3.39Å; H39-Q42 PolarHBondContact O-N 3.48Å; H39-Q42 VanDerWaalsContact O-N 3.14Å |
| 40 | N | 49.1 | Very low | 47.4 | Very low | 183 Ų | 183 | 117.8 Ų | 117.8 | 98% | 0.979 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 122.9 | 175.9 | -92.9 | -27.7 | 0 | 0 | 0 | 110.9 | ||
| 41 | G | 55.5 | Low | 47.5 | Very low | 77 Ų | 77 | 120 Ų | 120 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.3 | -1.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | H39 V43 | H39-G41 PolarHBondContact O-N 3.28Å; G41-V43 PolarHBondContact O-N 3.47Å |
| 42 | Q | 52.3 | Low | 47.5 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 57% | 0.565 | 70% | 0.702 | S | S | * | * | trans | -78.7 | 117 | 179.2 | -161 | 162.1 | 5.7 | 0 | 0 | 111.8 | H39 L44 | H39-Q42 WeakPolarHBondContact O-CB 3.39Å; H39-Q42 PolarHBondContact O-N 3.48Å; H39-Q42 VanDerWaalsContact O-N 3.14Å; Q42-L44 PolarHBondContact O-N 3.35Å | ||
| 43 | V | 49.3 | Very low | 47.5 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 76% | 0.758 | 69% | 0.69 | S | S | * | * | trans | -81 | 112.5 | -178 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | G41 T45 | G41-V43 PolarHBondContact O-N 3.47Å; V43-T45 PolarHBondContact O-N 2.95Å | ||
| 44 | L | 51.4 | Low | 47.2 | Very low | 87 Ų | 87 | 122.8 Ų | 122.8 | 46% | 0.455 | 69% | 0.685 | S | S | . | * | trans | -92.1 | 98.1 | 179.6 | -158.1 | 82.6 | 0 | 0 | 0 | 112.1 | W34 Q42 V46 | W34-L44 HydrophobicContact CH2-CD1 3.33Å; W34-L44 HydrophobicContact CH2-CD2 3.72Å; W34-L44 HydrophobicContact CH2-CG 4.15Å; W34-L44 HydrophobicContact CZ2-CD1 4.06Å; W34-L44 HydrophobicContact CZ2-CD2 4.44Å; W34-L44 HydrophobicContact CZ3-CD1 3.98Å; Q42-L44 PolarHBondContact O-N 3.35Å; L44-V46 HydrophobicContact CD2-CG2 4.27Å; L44-V46 PolarHBondContact O-N 3.34Å | ||
| 45 | T | 44.6 | Very low | 46.8 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | trans | -85.3 | 97.3 | 177.5 | -52.1 | 0 | 0 | 0 | 0 | 111 | V43 L47 | V43-T45 PolarHBondContact O-N 2.95Å; T45-L47 PolarHBondContact O-N 3.27Å | ||
| 46 | V | 52.3 | Low | 46.9 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 74% | 0.739 | 70% | 0.699 | S | S | * | * | trans | -75.3 | 93.5 | 175 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | L44 R48 | L44-V46 HydrophobicContact CD2-CG2 4.27Å; L44-V46 PolarHBondContact O-N 3.34Å; V46-R48 PolarHBondContact O-N 2.86Å | ||
| 47 | L | 37.7 | Very low | 46.8 | Very low | 144 Ų | 144 | 122.6 Ų | 122.6 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | trans | -85.4 | 103.7 | 174.8 | -169.8 | 77.2 | 0 | 0 | 0 | 110.4 | T45 I49 | T45-L47 PolarHBondContact O-N 3.27Å; L47-I49 HydrophobicContact CD2-CD1 4.29Å | ||
| 48 | R | 43.4 | Very low | 46.7 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 62% | 0.619 | 69% | 0.686 | S | S | * | * | trans | -96.7 | 101.2 | 175.1 | -162.4 | 177.8 | -170.3 | -179.9 | 3.6 | 112.1 | V46 | V46-R48 PolarHBondContact O-N 2.86Š| ||
| 49 | I | 47.3 | Very low | 46.7 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -99.6 | 141.4 | 150.8 | -52.4 | 173.7 | 0 | 0 | 0 | 102.7 | L47 | L47-I49 HydrophobicContact CD2-CD1 4.29Š| ||
| 50 | D | 37 | Very low | 47 | Very low | 134 Ų | 134 | 122 Ų | 122 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | cis | -142.2 | 165.2 | 35.4 | -10.6 | -83.8 | 0 | 0 | 0 | 113.5 | T52 | D50-T52 PolarHBondContact O-N 3.02Š| ||
| 51 | N | 46 | Very low | 47.4 | Very low | 166 Ų | 166 | 115 Ų | 115 | 89% | 0.888 | 67% | 0.665 | S | S | * | * | trans | -99.6 | 63.8 | -175.4 | -73.2 | -88.2 | 0 | 0 | 0 | 113.5 | ||||
| 52 | T | 47.4 | Very low | 47.5 | Very low | 129 Ų | 129 | 113.9 Ų | 113.9 | 79% | 0.791 | 65% | 0.648 | S | S | * | * | trans | -145.3 | 33.2 | 176.6 | -27.6 | 0 | 0 | 0 | 0 | 115.7 | D50 | D50-T52 PolarHBondContact O-N 3.02Š| ||
| 53 | C | 41 | Very low | 47.8 | Very low | 91 Ų | 91 | 109.8 Ų | 109.8 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -138 | 159 | 163.1 | -89.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 54 | A | 44.2 | Very low | 48.2 | Very low | 79 Ų | 79 | 107.7 Ų | 107.7 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | trans | -48 | 158.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I56 | A54-I56 VanDerWaalsContact C-N 3.28Å; A54-I56 PolarHBondContact O-N 3.44Å | ||
| 55 | P | 38.8 | Very low | 48.6 | Very low | 136 Ų | 136 | 110.4 Ų | 110.4 | 88% | 0.883 | 63% | 0.627 | S | S | * | * | trans | -61.6 | 90.3 | -179.3 | 26.6 | -35.9 | 0 | 0 | 0 | 110.9 | S57 | P55-S57 PolarHBondContact O-N 3.25Š| ||
| 56 | I | 46.3 | Very low | 49.3 | Very low | 104 Ų | 104 | 108.6 Ų | 108.6 | 53% | 0.533 | 61% | 0.611 | S | S | . | * | trans | -65.1 | 105.4 | 168.2 | -68.9 | 161.8 | 0 | 0 | 0 | 104.6 | A54 F58 | A54-I56 VanDerWaalsContact C-N 3.28Å; A54-I56 PolarHBondContact O-N 3.44Å; I56-F58 PolarHBondContact O-N 2.86Å | ||
| 57 | S | 45.8 | Very low | 49.8 | Very low | 104 Ų | 104 | 105.1 Ų | 105.1 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | trans | -50.9 | 106.9 | 163.5 | 46.8 | 0 | 0 | 0 | 0 | 107.1 | P55 D59 | P55-S57 PolarHBondContact O-N 3.25Å; S57-D59 VanDerWaalsContact C-N 3.29Å; S57-D59 PolarHBondContact O-N 3.23Å | ||
| 58 | F | 49.3 | Very low | 50.9 | Low | 135 Ų | 135 | 104.8 Ų | 104.8 | 59% | 0.592 | 58% | 0.582 | S | S | * | * | trans | -73.9 | 92.6 | 178.2 | 179.4 | -115 | 0 | 0 | 0 | 107 | I56 L60 | I56-F58 PolarHBondContact O-N 2.86Å; F58-L60 HydrophobicContact CD1-CD1 3.42Å; F58-L60 VanDerWaalsContact CD1-CD1 3.42Å; F58-L60 HydrophobicContact CD1-CG 4.18Å; F58-L60 HydrophobicContact CE1-CD1 3.55Å; F58-L60 HydrophobicContact CE1-CG 3.8Å; F58-L60 PolarHBondContact O-N 3.16Å; F58-L60 VanDerWaalsContact O-N 3.16Å | ||
| 59 | D | 52.1 | Low | 51.6 | Low | 110 Ų | 110 | 100.9 Ų | 100.9 | 59% | 0.588 | 59% | 0.585 | S | S | * | * | trans | -77.4 | 98.4 | 178.3 | -164.2 | -13.7 | 0 | 0 | 0 | 108.6 | S57 G61 A62 A63 | S57-D59 VanDerWaalsContact C-N 3.29Å; S57-D59 PolarHBondContact O-N 3.23Å; D59-G61 PolarHBondContact O-N 3.21Å; D59-G61 PolarHBondContact OD1-N 3.42Å; D59-A62 HydrophobicContact CB-CB 4.44Å; D59-A62 PolarHBondContact O-N 2.9Å; D59-A63 PolarHBondContact O-N 3.18Å | ||
| 60 | L | 55.5 | Low | 52.1 | Low | 112 Ų | 112 | 100.1 Ų | 100.1 | 59% | 0.586 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -56 | -37 | 179.6 | -89.4 | 80.1 | 0 | 0 | 0 | 111 | F58 A62 A63 E64 | F58-L60 HydrophobicContact CD1-CD1 3.42Å; F58-L60 VanDerWaalsContact CD1-CD1 3.42Å; F58-L60 HydrophobicContact CD1-CG 4.18Å; F58-L60 HydrophobicContact CE1-CD1 3.55Å; F58-L60 HydrophobicContact CE1-CG 3.8Å; F58-L60 PolarHBondContact O-N 3.16Å; F58-L60 VanDerWaalsContact O-N 3.16Å; L60-A62 PolarHBondContact O-N 3.04Å; L60-A63 PolarHBondContact O-N 2.81Å; L60-E64 VanDerWaalsContact O-CB 3.29Å; L60-E64 WeakPolarHBondContact O-CB 3.34Å; L60-E64 PolarHBondContact O-N 3.29Å |
| 61 | G | 57.5 | Low | 52.7 | Low | 34 Ų | 34 | 96.8 Ų | 96.8 | 35% | 0.351 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.4 | -43.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D59 A63 E64 E65 | D59-G61 PolarHBondContact O-N 3.21Å; D59-G61 PolarHBondContact OD1-N 3.42Å; G61-A63 VanDerWaalsContact C-N 3.33Å; G61-A63 PolarHBondContact O-N 2.88Å; G61-E64 PolarHBondContact O-N 2.68Å; G61-E65 PolarHBondContact O-N 3.34Å |
| 62 | A | 57.7 | Low | 53.3 | Low | 55 Ų | 55 | 91 Ų | 91 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.2 | -33.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D59 L60 Q66 | D59-A62 HydrophobicContact CB-CB 4.44Å; D59-A62 PolarHBondContact O-N 2.9Å; L60-A62 PolarHBondContact O-N 3.04Å; A62-Q66 PolarHBondContact O-N 2.94Å |
| 63 | A | 58.8 | Low | 53.4 | Low | 34 Ų | 34 | 93.8 Ų | 93.8 | 28% | 0.281 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74 | -34.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D59 L60 G61 Q66 L67 | D59-A63 PolarHBondContact O-N 3.18Å; L60-A63 PolarHBondContact O-N 2.81Å; G61-A63 VanDerWaalsContact C-N 3.33Å; G61-A63 PolarHBondContact O-N 2.88Å; A63-Q66 PolarHBondContact O-N 2.91Å; A63-L67 WeakPolarHBondContact O-CG 3.48Å; A63-L67 PolarHBondContact O-N 2.87Å |
| 64 | E | 57.7 | Low | 54.1 | Low | 81 Ų | 81 | 91.9 Ų | 91.9 | 38% | 0.379 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.7 | -47.4 | 176.7 | -173.1 | 171 | -176.3 | 0 | 0 | 111.4 | L60 G61 Q66 L67 Q68 | L60-E64 VanDerWaalsContact O-CB 3.29Å; L60-E64 WeakPolarHBondContact O-CB 3.34Å; L60-E64 PolarHBondContact O-N 3.29Å; G61-E64 PolarHBondContact O-N 2.68Å; E64-Q66 VanDerWaalsContact C-N 3.29Å; E64-Q66 PolarHBondContact O-N 2.86Å; E64-L67 PolarHBondContact O-N 3.29Å; E64-Q68 WeakPolarHBondContact O-CB 3.33Å; E64-Q68 PolarHBondContact O-N 3.49Å |
| 65 | E | 60.1 | Low | 54.6 | Low | 144 Ų | 144 | 91.7 Ų | 91.7 | 67% | 0.673 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.5 | -41.1 | 173.4 | -75 | -171.2 | 152.3 | 0 | 0 | 112 | G61 Q68 A69 | G61-E65 PolarHBondContact O-N 3.34Å; E65-Q68 PolarHBondContact O-N 3.02Å; E65-A69 WeakPolarHBondContact O-CB 3.29Å; E65-A69 PolarHBondContact O-N 2.99Å |
| 66 | Q | 60.3 | Low | 55.4 | Low | 79 Ų | 79 | 86.9 Ų | 86.9 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 179.3 | -172 | 173.2 | -16.7 | 0 | 0 | 112.8 | A62 A63 E64 W70 | A62-Q66 PolarHBondContact O-N 2.94Å; A63-Q66 PolarHBondContact O-N 2.91Å; E64-Q66 VanDerWaalsContact C-N 3.29Å; E64-Q66 PolarHBondContact O-N 2.86Å; Q66-W70 HydrophobicContact CG-CH2 4.49Å; Q66-W70 HydrophobicContact CG-CZ2 4.22Å; Q66-W70 PolarHBondContact O-N 3.46Å |
| 67 | L | 62.4 | Low | 55.8 | Low | 48 Ų | 48 | 88 Ų | 88 | 25% | 0.251 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71 | -36.8 | 173.5 | -73.4 | 166.2 | 0 | 0 | 0 | 111.9 | A63 E64 W70 G71 I72 V74 | A63-L67 WeakPolarHBondContact O-CG 3.48Å; A63-L67 PolarHBondContact O-N 2.87Å; E64-L67 PolarHBondContact O-N 3.29Å; L67-W70 HydrophobicContact CD2-CE3 4.33Å; L67-W70 CarbonylContact O-C 3.41Å; L67-W70 WeakPolarHBondContact O-CA 3.45Å; L67-W70 PolarHBondContact O-N 2.86Å; L67-W70 VanDerWaalsContact O-N 3.09Å; L67-G71 PolarHBondContact O-N 3.47Å; L67-I72 HydrophobicContact CD2-CD1 3.74Å; L67-I72 PolarHBondContact O-N 3.42Å; L67-V74 HydrophobicContact CD1-CG2 4.5Å |
| 68 | Q | 60.6 | Low | 56.2 | Low | 138 Ų | 138 | 89.5 Ų | 89.5 | 65% | 0.645 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.2 | -36.8 | 175.5 | -167.9 | 176.5 | 10.6 | 0 | 0 | 111.6 | E64 E65 W70 G71 | E64-Q68 WeakPolarHBondContact O-CB 3.33Å; E64-Q68 PolarHBondContact O-N 3.49Å; E65-Q68 PolarHBondContact O-N 3.02Å; Q68-W70 PolarHBondContact O-N 3.49Å; Q68-G71 PolarHBondContact O-N 2.79Å |
| 69 | A | 57.6 | Low | 56.4 | Low | 82 Ų | 82 | 89.6 Ų | 89.6 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E65 | E65-A69 WeakPolarHBondContact O-CB 3.29Å; E65-A69 PolarHBondContact O-N 2.99Å |
| 70 | W | 58.7 | Low | 56.6 | Low | 108 Ų | 108 | 91 Ų | 91 | 41% | 0.409 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 11 | 171.8 | -62.7 | -16.4 | 0 | 0 | 0 | 113.4 | P31 Q66 L67 Q68 I72 | P31-W70 HydrophobicContact CG-CH2 4.07Å; P31-W70 HydrophobicContact CG-CZ3 4.32Å; Q66-W70 HydrophobicContact CG-CH2 4.49Å; Q66-W70 HydrophobicContact CG-CZ2 4.22Å; Q66-W70 PolarHBondContact O-N 3.46Å; L67-W70 HydrophobicContact CD2-CE3 4.33Å; L67-W70 CarbonylContact O-C 3.41Å; L67-W70 WeakPolarHBondContact O-CA 3.45Å; L67-W70 PolarHBondContact O-N 2.86Å; L67-W70 VanDerWaalsContact O-N 3.09Å; Q68-W70 PolarHBondContact O-N 3.49Å; W70-I72 VanDerWaalsContact C-N 3.33Å; W70-I72 HydrophobicContact CB-CD1 4.35Å; W70-I72 PolarHBondContact O-N 3.26Å |
| 71 | G | 49.5 | Very low | 56.6 | Low | 64 Ų | 64 | 90.4 Ų | 90.4 | 66% | 0.66 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 7.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L67 Q68 Q73 | L67-G71 PolarHBondContact O-N 3.47Å; Q68-G71 PolarHBondContact O-N 2.79Å; G71-Q73 PolarHBondContact O-N 3.03Å |
| 72 | I | 57.1 | Low | 56.6 | Low | 44 Ų | 44 | 94.3 Ų | 94.3 | 23% | 0.226 | 50% | 0.496 | C | S | . | . | trans | -88.2 | 105.9 | -176.2 | -52.9 | 166.2 | 0 | 0 | 0 | 108.8 | L38 L67 W70 V74 | L38-I72 HydrophobicContact CD1-CD1 3.56Å; L38-I72 HydrophobicContact CD1-CG1 3.84Å; L67-I72 HydrophobicContact CD2-CD1 3.74Å; L67-I72 PolarHBondContact O-N 3.42Å; W70-I72 VanDerWaalsContact C-N 3.33Å; W70-I72 HydrophobicContact CB-CD1 4.35Å; W70-I72 PolarHBondContact O-N 3.26Å; I72-V74 HydrophobicContact CG2-CG2 3.87Å; I72-V74 PolarHBondContact O-N 2.82Å | ||
| 73 | Q | 50.6 | Low | 56.7 | Low | 188 Ų | 188 | 94.1 Ų | 94.1 | 88% | 0.879 | 50% | 0.495 | S | S | * | . | trans | -74.9 | 105.7 | 169.8 | -72.1 | -175.2 | 4.2 | 0 | 0 | 109.8 | G71 P75 | G71-Q73 PolarHBondContact O-N 3.03Å; Q73-P75 WeakPolarHBondContact O-CD 3.46Å | ||
| 74 | V | 54.8 | Low | 56.7 | Low | 50 Ų | 50 | 96.7 Ų | 96.7 | 30% | 0.303 | 50% | 0.501 | S | S | . | . | trans | -96.9 | 113.2 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | L67 I72 A76 Y79 | L67-V74 HydrophobicContact CD1-CG2 4.5Å; I72-V74 HydrophobicContact CG2-CG2 3.87Å; I72-V74 PolarHBondContact O-N 2.82Å; V74-A76 PolarHBondContact O-N 3.13Å; V74-Y79 HydrophobicContact CG1-CD2 3.6Å; V74-Y79 HydrophobicContact CG1-CE2 3.49Å; V74-Y79 VanDerWaalsContact CG1-CE2 3.49Å; V74-Y79 HydrophobicContact CG1-CG 4.48Å | ||
| 75 | P | 55.9 | Low | 56.4 | Low | 76 Ų | 76 | 95.7 Ų | 95.7 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | trans | -73.6 | 88.4 | 178 | -17.9 | 33.2 | 0 | 0 | 0 | 110.8 | Q73 E77 Q78 Y79 | Q73-P75 WeakPolarHBondContact O-CD 3.46Å; P75-E77 PolarHBondContact O-N 3.4Å; P75-Q78 HydrophobicContact CB-CB 4.48Å; P75-Q78 PolarHBondContact O-N 2.83Å; P75-Y79 WeakPolarHBondContact O-CD2 3.37Å; P75-Y79 PolarHBondContact O-N 3.19Å | ||
| 76 | A | 55.4 | Low | 56.1 | Low | 35 Ų | 35 | 92.2 Ų | 92.2 | 29% | 0.289 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -48.8 | -37.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V74 Q78 Y79 R80 | V74-A76 PolarHBondContact O-N 3.13Å; A76-Q78 PolarHBondContact O-N 2.9Å; A76-Y79 PolarHBondContact O-N 3.3Å; A76-R80 PolarHBondContact O-N 2.79Å |
| 77 | E | 55.2 | Low | 55.7 | Low | 128 Ų | 128 | 95.2 Ų | 95.2 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.4 | -30.1 | -178.5 | -57.8 | -57.8 | 165.7 | 0 | 0 | 114.2 | P75 N81 | P75-E77 PolarHBondContact O-N 3.4Å; E77-N81 PolarHBondContact O-N 3.31Å; E77-N81 PolarHBondContact O-ND2 2.9Å |
| 78 | Q | 53.7 | Low | 55.2 | Low | 134 Ų | 134 | 99.5 Ų | 99.5 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.8 | -43.1 | 173.7 | -127.2 | 89.3 | 21.9 | 0 | 0 | 110.1 | P75 A76 N81 L82 | P75-Q78 HydrophobicContact CB-CB 4.48Å; P75-Q78 PolarHBondContact O-N 2.83Å; A76-Q78 PolarHBondContact O-N 2.9Å; Q78-N81 PolarHBondContact O-N 2.88Å; Q78-L82 PolarHBondContact O-N 3.14Å |
| 79 | Y | 53.8 | Low | 54.6 | Low | 137 Ų | 137 | 100 Ų | 100 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 178.3 | -74.1 | -84.9 | 0 | 0 | 0 | 112.5 | V74 P75 A76 L82 A83 | V74-Y79 HydrophobicContact CG1-CD2 3.6Å; V74-Y79 HydrophobicContact CG1-CE2 3.49Å; V74-Y79 VanDerWaalsContact CG1-CE2 3.49Å; V74-Y79 HydrophobicContact CG1-CG 4.48Å; P75-Y79 WeakPolarHBondContact O-CD2 3.37Å; P75-Y79 PolarHBondContact O-N 3.19Å; A76-Y79 PolarHBondContact O-N 3.3Å; Y79-L82 PolarHBondContact O-N 3.45Å; Y79-A83 WeakPolarHBondContact O-CB 3.17Å; Y79-A83 PolarHBondContact O-N 3.17Å |
| 80 | R | 55.7 | Low | 54.4 | Low | 140 Ų | 140 | 100.9 Ų | 100.9 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58 | -51.2 | 172 | -86.3 | -167.3 | 64.9 | 137.3 | 5 | 111.8 | A76 L82 A83 E84 | A76-R80 PolarHBondContact O-N 2.79Å; R80-L82 PolarHBondContact O-N 3.31Å; R80-A83 PolarHBondContact O-N 2.92Å; R80-E84 IonicContact CZ-OE1 3.63Å; R80-E84 IonicContact NE-OE1 3.62Å; R80-E84 IonicContact NH2-OE1 2.81Å; R80-E84 PolarHBondContact NH2-OE1 2.82Å; R80-E84 VanDerWaalsContact O-CB 3.3Å; R80-E84 WeakPolarHBondContact O-CB 3.3Å; R80-E84 WeakPolarHBondContact O-CG 3.38Å; R80-E84 PolarHBondContact O-N 3.44Å |
| 81 | N | 56.1 | Low | 53.9 | Low | 100 Ų | 100 | 103.7 Ų | 103.7 | 54% | 0.535 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67 | -35.5 | -179.2 | -77.1 | -77.9 | 0 | 0 | 0 | 112.6 | E77 Q78 S85 | E77-N81 PolarHBondContact O-N 3.31Å; E77-N81 PolarHBondContact O-ND2 2.9Å; Q78-N81 PolarHBondContact O-N 2.88Å; N81-S85 VanDerWaalsContact O-CB 3.28Å; N81-S85 WeakPolarHBondContact O-CB 3.33Å; N81-S85 PolarHBondContact O-N 3.44Å; N81-S85 PolarHBondContact O-OG 2.9Å; N81-S85 VanDerWaalsContact O-OG 3.12Å |
| 82 | L | 56.6 | Low | 53.8 | Low | 116 Ų | 116 | 106.8 Ų | 106.8 | 61% | 0.607 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.5 | -33.9 | 173.6 | -100.5 | 69.2 | 0 | 0 | 0 | 113.3 | Q78 Y79 R80 S85 A86 | Q78-L82 PolarHBondContact O-N 3.14Å; Y79-L82 PolarHBondContact O-N 3.45Å; R80-L82 PolarHBondContact O-N 3.31Å; L82-S85 WeakPolarHBondContact CA-OG 3.4Å; L82-S85 PolarHBondContact O-OG 3.16Å; L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 3.12Å |
| 83 | A | 59.4 | Low | 53.4 | Low | 51 Ų | 51 | 115.4 Ų | 115.4 | 42% | 0.421 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -74.1 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y79 R80 L87 | Y79-A83 WeakPolarHBondContact O-CB 3.17Å; Y79-A83 PolarHBondContact O-N 3.17Å; R80-A83 PolarHBondContact O-N 2.92Å; A83-L87 WeakPolarHBondContact O-CB 3.28Å; A83-L87 WeakPolarHBondContact O-CD1 3.12Å; A83-L87 WeakPolarHBondContact O-CG 3.43Å; A83-L87 PolarHBondContact O-N 3.49Å |
| 84 | E | 58.6 | Low | 53.6 | Low | 87 Ų | 87 | 115.8 Ų | 115.8 | 41% | 0.407 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.3 | -43.4 | 172.2 | -74.6 | 178.7 | -165.3 | 0 | 0 | 110.6 | R80 L87 L88 | R80-E84 IonicContact CZ-OE1 3.63Å; R80-E84 IonicContact NE-OE1 3.62Å; R80-E84 IonicContact NH2-OE1 2.81Å; R80-E84 PolarHBondContact NH2-OE1 2.82Å; R80-E84 VanDerWaalsContact O-CB 3.3Å; R80-E84 WeakPolarHBondContact O-CB 3.3Å; R80-E84 WeakPolarHBondContact O-CG 3.38Å; R80-E84 PolarHBondContact O-N 3.44Å; E84-L87 PolarHBondContact O-N 2.98Å; E84-L88 WeakPolarHBondContact O-CB 3.13Å; E84-L88 WeakPolarHBondContact O-CD1 3.21Å; E84-L88 PolarHBondContact O-N 3.41Å |
| 85 | S | 52.4 | Low | 53.2 | Low | 61 Ų | 61 | 122.9 Ų | 122.9 | 43% | 0.427 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.6 | -42.3 | 175.8 | 71.2 | 0 | 0 | 0 | 0 | 113 | N81 L82 L87 L88 E89 | N81-S85 VanDerWaalsContact O-CB 3.28Å; N81-S85 WeakPolarHBondContact O-CB 3.33Å; N81-S85 PolarHBondContact O-N 3.44Å; N81-S85 PolarHBondContact O-OG 2.9Å; N81-S85 VanDerWaalsContact O-OG 3.12Å; L82-S85 WeakPolarHBondContact CA-OG 3.4Å; L82-S85 PolarHBondContact O-OG 3.16Å; S85-L87 VanDerWaalsContact C-N 3.26Å; S85-L87 PolarHBondContact O-N 3.06Å; S85-L88 CarbonylContact O-C 3.52Å; S85-L88 PolarHBondContact O-N 3.46Å; S85-L88 VanDerWaalsContact O-N 3.15Å; S85-E89 WeakPolarHBondContact O-CB 3.15Å; S85-E89 PolarHBondContact O-N 2.87Å |
| 86 | A | 53.8 | Low | 53.1 | Low | 71 Ų | 71 | 126.4 Ų | 126.4 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.6 | -22.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L82 | L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 3.12Å |
| 87 | L | 51.4 | Low | 52.9 | Low | 142 Ų | 142 | 128.9 Ų | 128.9 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -82.4 | -32.6 | 169.8 | -77.3 | 166.4 | 0 | 0 | 0 | 112.5 | A83 E84 S85 | A83-L87 WeakPolarHBondContact O-CB 3.28Å; A83-L87 WeakPolarHBondContact O-CD1 3.12Å; A83-L87 WeakPolarHBondContact O-CG 3.43Å; A83-L87 PolarHBondContact O-N 3.49Å; E84-L87 PolarHBondContact O-N 2.98Å; S85-L87 VanDerWaalsContact C-N 3.26Å; S85-L87 PolarHBondContact O-N 3.06Å |
| 88 | L | 52.9 | Low | 52.5 | Low | 137 Ų | 137 | 132.8 Ų | 132.8 | 72% | 0.717 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.7 | -16.2 | 174.5 | -95.5 | 97 | 0 | 0 | 0 | 113.7 | E84 S85 P90 | E84-L88 WeakPolarHBondContact O-CB 3.13Å; E84-L88 WeakPolarHBondContact O-CD1 3.21Å; E84-L88 PolarHBondContact O-N 3.41Å; S85-L88 CarbonylContact O-C 3.52Å; S85-L88 PolarHBondContact O-N 3.46Å; S85-L88 VanDerWaalsContact O-N 3.15Å; L88-P90 WeakPolarHBondContact O-CD 3Å; L88-P90 VanDerWaalsContact O-CG 3.26Å; L88-P90 WeakPolarHBondContact O-CG 3.4Å |
| 89 | E | 48 | Very low | 52.4 | Low | 150 Ų | 150 | 132.6 Ų | 132.6 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -87.5 | 84.1 | 175.4 | -167.5 | 132.1 | -140.7 | 0 | 0 | 110.4 | S85 Q91 | S85-E89 WeakPolarHBondContact O-CB 3.15Å; S85-E89 PolarHBondContact O-N 2.87Å; E89-Q91 VanDerWaalsContact C-N 3.27Å; E89-Q91 PolarHBondContact O-N 3.15Å |
| 90 | P | 52.7 | Low | 52.8 | Low | 100 Ų | 100 | 127.6 Ų | 127.6 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 37 | -149.2 | 26.6 | -8.3 | 0 | 0 | 0 | 111.5 | L88 | L88-P90 WeakPolarHBondContact O-CD 3Å; L88-P90 VanDerWaalsContact O-CG 3.26Å; L88-P90 WeakPolarHBondContact O-CG 3.4Å |
| 91 | Q | 49.1 | Very low | 53 | Low | 166 Ų | 166 | 127.1 Ų | 127.1 | 78% | 0.776 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -11.9 | -175.2 | -70.8 | -146.4 | 6.3 | 0 | 0 | 115.1 | E89 | E89-Q91 VanDerWaalsContact C-N 3.27Å; E89-Q91 PolarHBondContact O-N 3.15Å |
| 92 | V | 45.9 | Very low | 53.2 | Low | 129 Ų | 129 | 126.3 Ų | 126.3 | 78% | 0.782 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -98.3 | -2.8 | 176.3 | -158.6 | 0 | 0 | 0 | 0 | 113 | R94 | V92-R94 PolarHBondContact O-N 3.35Š|
| 93 | R | 49 | Very low | 53.6 | Low | 225 Ų | 225 | 125.1 Ų | 125.1 | 85% | 0.849 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 0.8 | 171.5 | -135.7 | -179.3 | -167.5 | -153.1 | 4.3 | 114 | ||
| 94 | R | 54.4 | Low | 54 | Low | 197 Ų | 197 | 127.3 Ų | 127.3 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -11 | -172.1 | -147.6 | 171.5 | -168.9 | 169.3 | 4.3 | 116.2 | V92 I97 | V92-R94 PolarHBondContact O-N 3.35Å; R94-I97 HydrophobicContact CG-CD1 4.21Å |
| 95 | Y | 47.5 | Very low | 54.5 | Low | 198 Ų | 198 | 127.8 Ų | 127.8 | 78% | 0.776 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -106.7 | -4.3 | -177.4 | -72.2 | -74.3 | 0 | 0 | 0 | 116.2 | I97 | Y95-I97 PolarHBondContact O-N 3.49Š|
| 96 | I | 53.1 | Low | 55.7 | Low | 151 Ų | 151 | 127.4 Ų | 127.4 | 77% | 0.774 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -78.7 | -5.7 | 163 | -82.1 | 174.3 | 0 | 0 | 0 | 112.1 | Y98 N99 | I96-Y98 PolarHBondContact O-N 3.05Å; I96-Y98 VanDerWaalsContact O-N 3.14Å; I96-N99 PolarHBondContact O-N 3.14Å |
| 97 | I | 51.3 | Low | 56.6 | Low | 86 Ų | 86 | 130.5 Ų | 130.5 | 44% | 0.441 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -74.6 | -2.7 | -171.8 | -59.9 | -174.4 | 0 | 0 | 0 | 113.6 | R94 Y95 N99 S100 | R94-I97 HydrophobicContact CG-CD1 4.21Å; Y95-I97 PolarHBondContact O-N 3.49Å; I97-N99 PolarHBondContact O-N 3.1Å; I97-S100 WeakPolarHBondContact O-CB 3.26Å; I97-S100 PolarHBondContact O-N 3.49Å; I97-S100 VanDerWaalsContact O-N 3.15Å; I97-S100 PolarHBondContact O-OG 3.08Å |
| 98 | Y | 46.8 | Very low | 57.7 | Low | 210 Ų | 210 | 125.2 Ų | 125.2 | 82% | 0.824 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -75.6 | -5.9 | 168.7 | -93.2 | -81.8 | 0 | 0 | 0 | 114.9 | I96 | I96-Y98 PolarHBondContact O-N 3.05Å; I96-Y98 VanDerWaalsContact O-N 3.14Å |
| 99 | N | 52 | Low | 58.9 | Low | 131 Ų | 131 | 122.6 Ų | 122.6 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -100 | 17.9 | 165 | -170.2 | 27.9 | 0 | 0 | 0 | 112.6 | I96 I97 | I96-N99 PolarHBondContact O-N 3.14Å; I97-N99 PolarHBondContact O-N 3.1Å |
| 100 | S | 62.4 | Low | 60.5 | Low | 32 Ų | 32 | 119.4 Ų | 119.4 | 22% | 0.224 | 58% | 0.58 | C | S | . | * | trans | -80.6 | 138.6 | -167.9 | 67.8 | 0 | 0 | 0 | 0 | 114.2 | I97 P102 M103 | I97-S100 WeakPolarHBondContact O-CB 3.26Å; I97-S100 PolarHBondContact O-N 3.49Å; I97-S100 VanDerWaalsContact O-N 3.15Å; I97-S100 PolarHBondContact O-OG 3.08Å; S100-P102 VanDerWaalsContact C-CD 3.43Å; S100-P102 VanDerWaalsContact C-N 3.31Å; S100-P102 WeakPolarHBondContact OG-CG 3.37Å; S100-M103 PolarHBondContact O-N 2.88Å; S100-M103 VanDerWaalsContact O-N 3.09Å | ||
| 101 | R | 60.6 | Low | 61.7 | Low | 129 Ų | 129 | 121.5 Ų | 121.5 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -43.9 | -43 | 171.6 | -64.4 | 179.1 | -179.2 | 178.9 | -0.7 | 114.3 | M103 R104 L105 Q156 | R101-M103 PolarHBondContact O-N 3.31Å; R101-R104 PolarHBondContact O-N 2.87Å; R101-L105 PolarHBondContact O-N 3.11Å; R101-Q156 PolarHBondContact NH2-O 2.92Å |
| 102 | P | 58.7 | Low | 63.1 | Low | 84 Ų | 84 | 118 Ų | 118 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.2 | -34.9 | 176.9 | 18.7 | -33.5 | 0 | 0 | 0 | 115.4 | S100 R104 L105 A106 | S100-P102 VanDerWaalsContact C-CD 3.43Å; S100-P102 VanDerWaalsContact C-N 3.31Å; S100-P102 WeakPolarHBondContact OG-CG 3.37Å; P102-R104 VanDerWaalsContact C-N 3.3Å; P102-R104 PolarHBondContact O-N 3.18Å; P102-L105 WeakPolarHBondContact O-CB 3.26Å; P102-L105 PolarHBondContact O-N 2.86Å; P102-A106 PolarHBondContact O-N 3.03Å |
| 103 | M | 64.9 | Low | 64.7 | Low | 91 Ų | 91 | 115.8 Ų | 115.8 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 177.4 | -167.8 | 70.2 | 179.8 | 0 | 0 | 111.2 | S100 R101 A106 F107 | S100-M103 PolarHBondContact O-N 2.88Å; S100-M103 VanDerWaalsContact O-N 3.09Å; R101-M103 PolarHBondContact O-N 3.31Å; M103-A106 PolarHBondContact O-N 3.37Å; M103-F107 HydrophobicContact CE-CD2 4.49Å; M103-F107 HydrophobicContact CE-CE2 3.58Å; M103-F107 HydrophobicContact CE-CZ 3.91Å; M103-F107 HydrophobicContact CG-CD2 4.24Å; M103-F107 HydrophobicContact CG-CE2 4.01Å; M103-F107 VanDerWaalsContact O-CD2 3.27Å; M103-F107 WeakPolarHBondContact O-CD2 3.36Å; M103-F107 PolarHBondContact O-N 2.93Å; M103-F107 VanDerWaalsContact O-N 3.09Å; M103-F107 HydrophobicContact SD-CE2 4.46Å |
| 104 | R | 67.9 | Low | 66.3 | Low | 97 Ų | 97 | 110.2 Ų | 110.2 | 37% | 0.366 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 175.2 | -164.6 | -178 | -60.7 | 175.5 | 1.7 | 111.9 | R101 P102 A108 V152 | R101-R104 PolarHBondContact O-N 2.87Å; P102-R104 VanDerWaalsContact C-N 3.3Å; P102-R104 PolarHBondContact O-N 3.18Å; R104-A108 WeakPolarHBondContact O-CB 3.46Å; R104-A108 PolarHBondContact O-N 3Å; R104-V152 HydrophobicContact CG-CG2 4.45Å |
| 105 | L | 70.6 | Confident | 67.5 | Low | 96 Ų | 96 | 103.5 Ų | 103.5 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 172.8 | -107.3 | 166.5 | 0 | 0 | 0 | 111.7 | R101 P102 A108 V109 | R101-L105 PolarHBondContact O-N 3.11Å; P102-L105 WeakPolarHBondContact O-CB 3.26Å; P102-L105 PolarHBondContact O-N 2.86Å; L105-A108 PolarHBondContact O-N 2.85Å; L105-V109 WeakPolarHBondContact O-CG2 3.02Å; L105-V109 PolarHBondContact O-N 3.49Å |
| 106 | A | 76.3 | Confident | 68.9 | Low | 53 Ų | 53 | 98.5 Ų | 98.5 | 44% | 0.438 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P102 M103 A108 V109 V110 | P102-A106 PolarHBondContact O-N 3.03Å; M103-A106 PolarHBondContact O-N 3.37Å; A106-A108 PolarHBondContact O-N 3.47Å; A106-V109 PolarHBondContact O-N 3.45Å; A106-V110 WeakPolarHBondContact O-CG2 3.29Å; A106-V110 PolarHBondContact O-N 3.3Å |
| 107 | F | 72.6 | Confident | 70.1 | Confident | 136 Ų | 136 | 93.8 Ų | 93.8 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.7 | -39.6 | 174.3 | -78.6 | -61.1 | 0 | 0 | 0 | 113 | M103 V110 F111 | M103-F107 HydrophobicContact CE-CD2 4.49Å; M103-F107 HydrophobicContact CE-CE2 3.58Å; M103-F107 HydrophobicContact CE-CZ 3.91Å; M103-F107 HydrophobicContact CG-CD2 4.24Å; M103-F107 HydrophobicContact CG-CE2 4.01Å; M103-F107 VanDerWaalsContact O-CD2 3.27Å; M103-F107 WeakPolarHBondContact O-CD2 3.36Å; M103-F107 PolarHBondContact O-N 2.93Å; M103-F107 VanDerWaalsContact O-N 3.09Å; M103-F107 HydrophobicContact SD-CE2 4.46Å; F107-V110 PolarHBondContact O-N 3.11Å; F107-F111 VanDerWaalsContact O-CB 3.31Å; F107-F111 WeakPolarHBondContact O-CB 3.36Å; F107-F111 PolarHBondContact O-N 3.3Å |
| 108 | A | 76.3 | Confident | 71.5 | Confident | 32 Ų | 32 | 94.7 Ų | 94.7 | 26% | 0.264 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R104 L105 A106 Y112 | R104-A108 WeakPolarHBondContact O-CB 3.46Å; R104-A108 PolarHBondContact O-N 3Å; L105-A108 PolarHBondContact O-N 2.85Å; A106-A108 PolarHBondContact O-N 3.47Å; A108-Y112 VanDerWaalsContact O-CB 3.28Å; A108-Y112 WeakPolarHBondContact O-CB 3.44Å; A108-Y112 PolarHBondContact O-N 3.3Å |
| 109 | V | 78 | Confident | 72.8 | Confident | 82 Ų | 82 | 87.1 Ų | 87.1 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.3 | -44.1 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L105 A106 F111 Y112 V113 | L105-V109 WeakPolarHBondContact O-CG2 3.02Å; L105-V109 PolarHBondContact O-N 3.49Å; A106-V109 PolarHBondContact O-N 3.45Å; V109-F111 PolarHBondContact O-N 3.48Å; V109-Y112 WeakPolarHBondContact O-CB 3.33Å; V109-Y112 PolarHBondContact O-N 3.01Å; V109-V113 WeakPolarHBondContact O-CG2 3.28Å; V109-V113 PolarHBondContact O-N 3.09Å |
| 110 | V | 80.6 | Confident | 73.8 | Confident | 83 Ų | 83 | 86.3 Ų | 86.3 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | A106 F107 Y112 V113 L114 | A106-V110 WeakPolarHBondContact O-CG2 3.29Å; A106-V110 PolarHBondContact O-N 3.3Å; F107-V110 PolarHBondContact O-N 3.11Å; V110-Y112 PolarHBondContact O-N 2.92Å; V110-V113 PolarHBondContact O-N 2.95Å; V110-L114 HydrophobicContact CG1-CD1 3.93Å; V110-L114 HydrophobicContact CG1-CG 4.48Å; V110-L114 WeakPolarHBondContact O-CG 3.25Å; V110-L114 PolarHBondContact O-N 2.93Å |
| 111 | F | 77.6 | Confident | 74.1 | Confident | 144 Ų | 144 | 87.9 Ų | 87.9 | 63% | 0.632 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.2 | -39.4 | 178.4 | -157.8 | -91.3 | 0 | 0 | 0 | 111.8 | F107 V109 L114 V115 | F107-F111 VanDerWaalsContact O-CB 3.31Å; F107-F111 WeakPolarHBondContact O-CB 3.36Å; F107-F111 PolarHBondContact O-N 3.3Å; V109-F111 PolarHBondContact O-N 3.48Å; F111-L114 PolarHBondContact O-N 2.93Å; F111-V115 HydrophobicContact CD1-CG2 3.71Å; F111-V115 HydrophobicContact CE1-CG2 3.56Å; F111-V115 HydrophobicContact CZ-CG2 4.36Å; F111-V115 WeakPolarHBondContact O-CB 3.27Å; F111-V115 VanDerWaalsContact O-CG2 3.25Å; F111-V115 WeakPolarHBondContact O-CG2 3.44Å; F111-V115 PolarHBondContact O-N 2.78Å |
| 112 | Y | 79.1 | Confident | 74.6 | Confident | 93 Ų | 93 | 84.6 Ų | 84.6 | 37% | 0.365 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57 | -51.6 | 172 | 169 | -93 | 0 | 0 | 0 | 111.6 | A108 V109 V110 L114 V115 W116 A141 | A108-Y112 VanDerWaalsContact O-CB 3.28Å; A108-Y112 WeakPolarHBondContact O-CB 3.44Å; A108-Y112 PolarHBondContact O-N 3.3Å; V109-Y112 WeakPolarHBondContact O-CB 3.33Å; V109-Y112 PolarHBondContact O-N 3.01Å; V110-Y112 PolarHBondContact O-N 2.92Å; Y112-L114 VanDerWaalsContact C-N 3.33Å; Y112-L114 PolarHBondContact O-N 3.23Å; Y112-V115 PolarHBondContact O-N 3.38Å; Y112-W116 AromaticContact CE2-CD1 3.83Å; Y112-W116 AromaticContact CZ-CD1 3.6Å; Y112-W116 WeakPolarHBondContact O-CB 3.19Å; Y112-W116 PolarHBondContact O-N 3.06Å; Y112-A141 HydrophobicContact CE2-CB 4.18Å |
| 113 | V | 80 | Confident | 74.9 | Confident | 81 Ų | 81 | 82 Ų | 82 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | -179.8 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | V109 V110 W116 A117 | V109-V113 WeakPolarHBondContact O-CG2 3.28Å; V109-V113 PolarHBondContact O-N 3.09Å; V110-V113 PolarHBondContact O-N 2.95Å; V113-W116 PolarHBondContact O-N 3.36Å; V113-A117 VanDerWaalsContact O-CB 3.24Å; V113-A117 WeakPolarHBondContact O-CB 3.38Å; V113-A117 PolarHBondContact O-N 3.28Å |
| 114 | L | 82 | Confident | 75 | Confident | 109 Ų | 109 | 83 Ų | 83 | 57% | 0.571 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 176.8 | -72.3 | 171.4 | 0 | 0 | 0 | 112.6 | V110 F111 Y112 A117 N118 | V110-L114 HydrophobicContact CG1-CD1 3.93Å; V110-L114 HydrophobicContact CG1-CG 4.48Å; V110-L114 WeakPolarHBondContact O-CG 3.25Å; V110-L114 PolarHBondContact O-N 2.93Å; F111-L114 PolarHBondContact O-N 2.93Å; Y112-L114 VanDerWaalsContact C-N 3.33Å; Y112-L114 PolarHBondContact O-N 3.23Å; L114-A117 PolarHBondContact O-N 3.15Å; L114-N118 WeakPolarHBondContact O-CB 3.35Å; L114-N118 PolarHBondContact O-N 3.48Å |
| 115 | V | 79.3 | Confident | 74.8 | Confident | 55 Ų | 55 | 85.8 Ų | 85.8 | 33% | 0.333 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 175.3 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | F111 Y112 N118 I119 | F111-V115 HydrophobicContact CD1-CG2 3.71Å; F111-V115 HydrophobicContact CE1-CG2 3.56Å; F111-V115 HydrophobicContact CZ-CG2 4.36Å; F111-V115 WeakPolarHBondContact O-CB 3.27Å; F111-V115 VanDerWaalsContact O-CG2 3.25Å; F111-V115 WeakPolarHBondContact O-CG2 3.44Å; F111-V115 PolarHBondContact O-N 2.78Å; Y112-V115 PolarHBondContact O-N 3.38Å; V115-N118 PolarHBondContact O-N 3.14Å; V115-I119 HydrophobicContact CG1-CD1 3.56Å; V115-I119 HydrophobicContact CG1-CG1 4.48Å; V115-I119 WeakPolarHBondContact O-CD1 3.49Å; V115-I119 VanDerWaalsContact O-CG1 3.22Å; V115-I119 WeakPolarHBondContact O-CG1 3.45Å; V115-I119 PolarHBondContact O-N 3.46Å |
| 116 | W | 76.6 | Confident | 74.4 | Confident | 93 Ų | 93 | 89.4 Ų | 89.4 | 35% | 0.352 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 178.5 | -137.3 | 101.1 | 0 | 0 | 0 | 111.8 | Y112 V113 Y120 | Y112-W116 AromaticContact CE2-CD1 3.83Å; Y112-W116 AromaticContact CZ-CD1 3.6Å; Y112-W116 WeakPolarHBondContact O-CB 3.19Å; Y112-W116 PolarHBondContact O-N 3.06Å; V113-W116 PolarHBondContact O-N 3.36Å; W116-Y120 AromaticContact CZ3-CD2 3.74Å; W116-Y120 HydrophobicContact CZ3-CD2 3.74Å; W116-Y120 HydrophobicContact CZ3-CG 4.17Å; W116-Y120 WeakPolarHBondContact O-CB 3.32Å; W116-Y120 PolarHBondContact O-N 2.88Å |
| 117 | A | 78.5 | Confident | 73.4 | Confident | 53 Ų | 53 | 89.4 Ų | 89.4 | 44% | 0.438 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V113 L114 Y120 S121 | V113-A117 VanDerWaalsContact O-CB 3.24Å; V113-A117 WeakPolarHBondContact O-CB 3.38Å; V113-A117 PolarHBondContact O-N 3.28Å; L114-A117 PolarHBondContact O-N 3.15Å; A117-Y120 PolarHBondContact O-N 2.7Å; A117-S121 WeakPolarHBondContact O-CB 3.44Å; A117-S121 PolarHBondContact O-N 3.11Å |
| 118 | N | 81.3 | Confident | 72.7 | Confident | 105 Ų | 105 | 91.1 Ų | 91.1 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.8 | -53.7 | 176 | 178.3 | -74.9 | 0 | 0 | 0 | 110.2 | L114 V115 S121 T122 | L114-N118 WeakPolarHBondContact O-CB 3.35Å; L114-N118 PolarHBondContact O-N 3.48Å; V115-N118 PolarHBondContact O-N 3.14Å; N118-S121 WeakPolarHBondContact O-CB 3.4Å; N118-S121 PolarHBondContact O-N 3.22Å; N118-T122 PolarHBondContact O-N 2.97Å; N118-T122 PolarHBondContact O-OG1 3.14Å; N118-T122 VanDerWaalsContact O-OG1 3.07Å |
| 119 | I | 73.2 | Confident | 71.8 | Confident | 50 Ų | 50 | 93 Ų | 93 | 26% | 0.256 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -78.1 | -26.3 | -175.4 | -44.7 | 156.3 | 0 | 0 | 0 | 111.6 | V115 S123 L137 | V115-I119 HydrophobicContact CG1-CD1 3.56Å; V115-I119 HydrophobicContact CG1-CG1 4.48Å; V115-I119 WeakPolarHBondContact O-CD1 3.49Å; V115-I119 VanDerWaalsContact O-CG1 3.22Å; V115-I119 WeakPolarHBondContact O-CG1 3.45Å; V115-I119 PolarHBondContact O-N 3.46Å; I119-S123 WeakPolarHBondContact O-CA 3.38Å; I119-S123 WeakPolarHBondContact O-CB 3.39Å; I119-S123 PolarHBondContact O-N 2.71Å; I119-S123 PolarHBondContact O-OG 3.35Å; I119-S123 VanDerWaalsContact O-OG 3.14Å; I119-L137 HydrophobicContact CB-CD1 4.13Å; I119-L137 HydrophobicContact CB-CD2 3.59Å; I119-L137 HydrophobicContact CB-CG 4.4Å; I119-L137 HydrophobicContact CD1-CD1 4.05Å; I119-L137 HydrophobicContact CD1-CD2 4.14Å; I119-L137 HydrophobicContact CD1-CG 4.36Å; I119-L137 HydrophobicContact CG2-CD1 3.31Å; I119-L137 HydrophobicContact CG2-CD2 3.55Å; I119-L137 HydrophobicContact CG2-CG 3.99Å |
| 120 | Y | 73.3 | Confident | 71.2 | Confident | 114 Ų | 114 | 93.6 Ų | 93.6 | 45% | 0.447 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 167.8 | 179.4 | -98.4 | 0 | 0 | 0 | 110.7 | W116 A117 S123 Q124 | W116-Y120 AromaticContact CZ3-CD2 3.74Å; W116-Y120 HydrophobicContact CZ3-CD2 3.74Å; W116-Y120 HydrophobicContact CZ3-CG 4.17Å; W116-Y120 WeakPolarHBondContact O-CB 3.32Å; W116-Y120 PolarHBondContact O-N 2.88Å; A117-Y120 PolarHBondContact O-N 2.7Å; Y120-S123 WeakPolarHBondContact CA-OG 3.33Å; Y120-S123 PolarHBondContact O-N 2.78Å; Y120-S123 PolarHBondContact O-OG 3.26Å; Y120-Q124 HydrophobicContact CD1-CG 4.48Å; Y120-Q124 HydrophobicContact CE1-CG 4.05Å; Y120-Q124 PolarHBondContact O-N 3.26Å; Y120-Q124 PolarHBondContact OH-NE2 3.29Å |
| 121 | S | 67.8 | Low | 70.5 | Confident | 65 Ų | 65 | 98.3 Ų | 98.3 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | A117 N118 S123 Q124 M125 | A117-S121 WeakPolarHBondContact O-CB 3.44Å; A117-S121 PolarHBondContact O-N 3.11Å; N118-S121 WeakPolarHBondContact O-CB 3.4Å; N118-S121 PolarHBondContact O-N 3.22Å; S121-S123 PolarHBondContact O-N 3.07Å; S121-Q124 PolarHBondContact O-N 3.35Å; S121-M125 PolarHBondContact O-N 3.46Å; S121-M125 VanDerWaalsContact O-N 3.09Å |
| 122 | T | 71.1 | Confident | 70.1 | Confident | 60 Ų | 60 | 100.5 Ų | 100.5 | 37% | 0.368 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.4 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | N118 Q124 M125 F126 | N118-T122 PolarHBondContact O-N 2.97Å; N118-T122 PolarHBondContact O-OG1 3.14Å; N118-T122 VanDerWaalsContact O-OG1 3.07Å; T122-Q124 PolarHBondContact O-N 2.96Å; T122-M125 PolarHBondContact O-N 3.5Å; T122-F126 HydrophobicContact CG2-CD2 3.84Å; T122-F126 HydrophobicContact CG2-CE2 3.73Å; T122-F126 WeakPolarHBondContact O-CD2 3.27Å; T122-F126 PolarHBondContact O-N 2.85Å; T122-F126 VanDerWaalsContact O-N 3.14Å |
| 123 | S | 66.9 | Low | 69.7 | Low | 30 Ų | 30 | 98.4 Ų | 98.4 | 21% | 0.21 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 177.6 | 76.6 | 0 | 0 | 0 | 0 | 111.2 | I119 Y120 S121 M125 F126 A127 | I119-S123 WeakPolarHBondContact O-CA 3.38Å; I119-S123 WeakPolarHBondContact O-CB 3.39Å; I119-S123 PolarHBondContact O-N 2.71Å; I119-S123 PolarHBondContact O-OG 3.35Å; I119-S123 VanDerWaalsContact O-OG 3.14Å; Y120-S123 WeakPolarHBondContact CA-OG 3.33Å; Y120-S123 PolarHBondContact O-N 2.78Å; Y120-S123 PolarHBondContact O-OG 3.26Å; S121-S123 PolarHBondContact O-N 3.07Å; S123-M125 PolarHBondContact O-N 3.04Å; S123-F126 CarbonylContact O-C 3.41Å; S123-F126 PolarHBondContact O-N 2.89Å; S123-F126 VanDerWaalsContact O-N 3.11Å; S123-A127 WeakPolarHBondContact O-CA 3.03Å; S123-A127 WeakPolarHBondContact O-CB 3.28Å; S123-A127 PolarHBondContact O-N 2.92Å |
| 124 | Q | 66.4 | Low | 69.3 | Low | 112 Ų | 112 | 96.3 Ų | 96.3 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 174.1 | -84.2 | -161.4 | -27 | 0 | 0 | 112.1 | Y120 S121 T122 F126 A127 | Y120-Q124 HydrophobicContact CD1-CG 4.48Å; Y120-Q124 HydrophobicContact CE1-CG 4.05Å; Y120-Q124 PolarHBondContact O-N 3.26Å; Y120-Q124 PolarHBondContact OH-NE2 3.29Å; S121-Q124 PolarHBondContact O-N 3.35Å; T122-Q124 PolarHBondContact O-N 2.96Å; Q124-F126 VanDerWaalsContact C-N 3.25Å; Q124-F126 PolarHBondContact O-N 2.87Å; Q124-A127 PolarHBondContact O-N 3.44Å |
| 125 | M | 63.8 | Low | 68.8 | Low | 156 Ų | 156 | 95.6 Ų | 95.6 | 77% | 0.768 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61 | -32.2 | 174.5 | -80.5 | -171.8 | 163.8 | 0 | 0 | 113.2 | S121 T122 S123 | S121-M125 PolarHBondContact O-N 3.46Å; S121-M125 VanDerWaalsContact O-N 3.09Å; T122-M125 PolarHBondContact O-N 3.5Å; S123-M125 PolarHBondContact O-N 3.04Å |
| 126 | F | 60.8 | Low | 68.8 | Low | 172 Ų | 172 | 99 Ų | 99 | 75% | 0.754 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -95.1 | -8.4 | 176.2 | -68.4 | -68.1 | 0 | 0 | 0 | 114.3 | T122 S123 Q124 L128 | T122-F126 HydrophobicContact CG2-CD2 3.84Å; T122-F126 HydrophobicContact CG2-CE2 3.73Å; T122-F126 WeakPolarHBondContact O-CD2 3.27Å; T122-F126 PolarHBondContact O-N 2.85Å; T122-F126 VanDerWaalsContact O-N 3.14Å; S123-F126 CarbonylContact O-C 3.41Å; S123-F126 PolarHBondContact O-N 2.89Å; S123-F126 VanDerWaalsContact O-N 3.11Å; Q124-F126 VanDerWaalsContact C-N 3.25Å; Q124-F126 PolarHBondContact O-N 2.87Å; F126-L128 VanDerWaalsContact C-N 3.3Å; F126-L128 PolarHBondContact O-N 3.22Å |
| 127 | A | 57.2 | Low | 68.6 | Low | 53 Ų | 53 | 96.1 Ų | 96.1 | 44% | 0.438 | 53% | 0.529 | S | S | . | . | trans | -91.1 | 32.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S123 Q124 G129 | S123-A127 WeakPolarHBondContact O-CA 3.03Å; S123-A127 WeakPolarHBondContact O-CB 3.28Å; S123-A127 PolarHBondContact O-N 2.92Å; Q124-A127 PolarHBondContact O-N 3.44Å; A127-G129 PolarHBondContact O-N 3.21Å; A127-G129 VanDerWaalsContact O-N 3.12Å | ||
| 128 | L | 56.8 | Low | 68.5 | Low | 172 Ų | 172 | 95.8 Ų | 95.8 | 90% | 0.901 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -65.7 | 2 | 159.4 | -89.5 | 93.7 | 0 | 0 | 0 | 113.2 | F126 | F126-L128 VanDerWaalsContact C-N 3.3Å; F126-L128 PolarHBondContact O-N 3.22Å |
| 129 | G | 58.1 | Low | 68.5 | Low | 70 Ų | 70 | 94.3 Ų | 94.3 | 72% | 0.722 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -158.7 | -5.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | A127 | A127-G129 PolarHBondContact O-N 3.21Å; A127-G129 VanDerWaalsContact O-N 3.12Å |
| 130 | N | 64.8 | Low | 68.9 | Low | 96 Ų | 96 | 97.1 Ų | 97.1 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | trans | -150.9 | 105.7 | -175.2 | -153.8 | 15.1 | 0 | 0 | 0 | 117.4 | W132 A133 | N130-W132 PolarHBondContact O-N 3.42Å; N130-A133 PolarHBondContact O-N 3.09Å | ||
| 131 | Q | 66.2 | Low | 69.2 | Low | 182 Ų | 182 | 92.4 Ų | 92.4 | 85% | 0.85 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.3 | 179.9 | -64.3 | 170.5 | -56.4 | 0 | 0 | 113.9 | A133 G134 | Q131-A133 PolarHBondContact O-N 3.4Å; Q131-G134 PolarHBondContact O-N 2.65Å |
| 132 | W | 68.6 | Low | 69.8 | Low | 190 Ų | 190 | 91.7 Ų | 91.7 | 72% | 0.72 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -26.6 | -179.1 | -66.5 | 72.7 | 0 | 0 | 0 | 113.4 | N130 G134 V135 L136 | N130-W132 PolarHBondContact O-N 3.42Å; W132-G134 VanDerWaalsContact C-N 3.29Å; W132-G134 PolarHBondContact O-N 3.32Å; W132-V135 PolarHBondContact O-N 2.89Å; W132-L136 PolarHBondContact O-N 3.47Å; W132-L136 VanDerWaalsContact O-N 3.11Å |
| 133 | A | 70.8 | Confident | 70.5 | Confident | 48 Ų | 48 | 96.5 Ų | 96.5 | 40% | 0.397 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N130 Q131 V135 L137 | N130-A133 PolarHBondContact O-N 3.09Å; Q131-A133 PolarHBondContact O-N 3.4Å; A133-V135 VanDerWaalsContact C-N 3.35Å; A133-V135 PolarHBondContact O-N 2.85Å; A133-L137 WeakPolarHBondContact O-CB 3.44Å; A133-L137 PolarHBondContact O-N 3.38Å |
| 134 | G | 71.3 | Confident | 71.2 | Confident | 37 Ų | 37 | 98 Ų | 98 | 38% | 0.381 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.2 | -34.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q131 W132 L137 A138 | Q131-G134 PolarHBondContact O-N 2.65Å; W132-G134 VanDerWaalsContact C-N 3.29Å; W132-G134 PolarHBondContact O-N 3.32Å; G134-L137 PolarHBondContact O-N 3.26Å; G134-A138 WeakPolarHBondContact O-CB 3.36Å; G134-A138 PolarHBondContact O-N 3.48Å |
| 135 | V | 73.2 | Confident | 71.8 | Confident | 95 Ų | 95 | 96.1 Ų | 96.1 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.8 | -48.7 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | W132 A133 L137 A138 T139 | W132-V135 PolarHBondContact O-N 2.89Å; A133-V135 VanDerWaalsContact C-N 3.35Å; A133-V135 PolarHBondContact O-N 2.85Å; V135-L137 PolarHBondContact O-N 3.26Å; V135-A138 PolarHBondContact O-N 3.21Å; V135-T139 PolarHBondContact O-N 3.29Å; V135-T139 PolarHBondContact O-OG1 3Å; V135-T139 VanDerWaalsContact O-OG1 3.07Å |
| 136 | L | 77.6 | Confident | 72.7 | Confident | 126 Ų | 126 | 92.6 Ų | 92.6 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -55.2 | -38.9 | 173.1 | -75.1 | 170.1 | 0 | 0 | 0 | 111.1 | W132 T139 L140 | W132-L136 PolarHBondContact O-N 3.47Å; W132-L136 VanDerWaalsContact O-N 3.11Å; L136-T139 WeakPolarHBondContact CA-OG1 3.25Å; L136-T139 PolarHBondContact O-OG1 3.42Å; L136-L140 WeakPolarHBondContact O-CB 3.35Å; L136-L140 PolarHBondContact O-N 2.86Å |
| 137 | L | 72.6 | Confident | 73.8 | Confident | 33 Ų | 33 | 89.4 Ų | 89.4 | 17% | 0.173 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -69.5 | -46.6 | 178.8 | -152.5 | 87 | 0 | 0 | 0 | 114 | I119 A133 G134 V135 T139 L140 A141 | I119-L137 HydrophobicContact CB-CD1 4.13Å; I119-L137 HydrophobicContact CB-CD2 3.59Å; I119-L137 HydrophobicContact CB-CG 4.4Å; I119-L137 HydrophobicContact CD1-CD1 4.05Å; I119-L137 HydrophobicContact CD1-CD2 4.14Å; I119-L137 HydrophobicContact CD1-CG 4.36Å; I119-L137 HydrophobicContact CG2-CD1 3.31Å; I119-L137 HydrophobicContact CG2-CD2 3.55Å; I119-L137 HydrophobicContact CG2-CG 3.99Å; A133-L137 WeakPolarHBondContact O-CB 3.44Å; A133-L137 PolarHBondContact O-N 3.38Å; G134-L137 PolarHBondContact O-N 3.26Å; V135-L137 PolarHBondContact O-N 3.26Å; L137-T139 PolarHBondContact O-N 2.92Å; L137-L140 PolarHBondContact O-N 3.32Å; L137-L140 VanDerWaalsContact O-N 3.14Å; L137-A141 WeakPolarHBondContact O-CB 3.38Å; L137-A141 PolarHBondContact O-N 3.4Å |
| 138 | A | 77.8 | Confident | 74.9 | Confident | 46 Ų | 46 | 90.1 Ų | 90.1 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.7 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G134 V135 A141 A142 | G134-A138 WeakPolarHBondContact O-CB 3.36Å; G134-A138 PolarHBondContact O-N 3.48Å; V135-A138 PolarHBondContact O-N 3.21Å; A138-A141 PolarHBondContact O-N 2.9Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 PolarHBondContact O-N 2.88Å |
| 139 | T | 80.7 | Confident | 76 | Confident | 74 Ų | 74 | 85.3 Ų | 85.3 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 173.7 | 48.5 | 0 | 0 | 0 | 0 | 113 | V135 L136 L137 A141 A142 F143 | V135-T139 PolarHBondContact O-N 3.29Å; V135-T139 PolarHBondContact O-OG1 3Å; V135-T139 VanDerWaalsContact O-OG1 3.07Å; L136-T139 WeakPolarHBondContact CA-OG1 3.25Å; L136-T139 PolarHBondContact O-OG1 3.42Å; L137-T139 PolarHBondContact O-N 2.92Å; T139-A141 VanDerWaalsContact C-N 3.34Å; T139-A141 PolarHBondContact O-N 3.5Å; T139-A142 PolarHBondContact O-N 2.97Å; T139-F143 PolarHBondContact O-N 2.96Å |
| 140 | L | 80.6 | Confident | 77 | Confident | 109 Ų | 109 | 85.4 Ų | 85.4 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 176.7 | -167.3 | 77.1 | 0 | 0 | 0 | 111.5 | L136 L137 F143 S144 | L136-L140 WeakPolarHBondContact O-CB 3.35Å; L136-L140 PolarHBondContact O-N 2.86Å; L137-L140 PolarHBondContact O-N 3.32Å; L137-L140 VanDerWaalsContact O-N 3.14Å; L140-F143 PolarHBondContact O-N 3.42Å; L140-S144 VanDerWaalsContact O-CB 3.32Å; L140-S144 WeakPolarHBondContact O-CB 3.39Å; L140-S144 PolarHBondContact O-N 3.49Å; L140-S144 PolarHBondContact O-OG 3.33Å |
| 141 | A | 80.2 | Confident | 77.7 | Confident | 14 Ų | 14 | 85.2 Ų | 85.2 | 12% | 0.116 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65.2 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y112 L137 A138 T139 S144 L145 | Y112-A141 HydrophobicContact CE2-CB 4.18Å; L137-A141 WeakPolarHBondContact O-CB 3.38Å; L137-A141 PolarHBondContact O-N 3.4Å; A138-A141 PolarHBondContact O-N 2.9Å; T139-A141 VanDerWaalsContact C-N 3.34Å; T139-A141 PolarHBondContact O-N 3.5Å; A141-S144 PolarHBondContact O-N 3.14Å; A141-L145 WeakPolarHBondContact O-CB 3.32Å; A141-L145 PolarHBondContact O-N 2.81Å |
| 142 | A | 80.6 | Confident | 78.1 | Confident | 51 Ų | 51 | 78.5 Ų | 78.5 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A138 T139 T146 | A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 PolarHBondContact O-N 2.88Å; T139-A142 PolarHBondContact O-N 2.97Å; A142-T146 WeakPolarHBondContact O-CB 3.31Å; A142-T146 PolarHBondContact O-N 3.32Å; A142-T146 PolarHBondContact O-OG1 3.42Å |
| 143 | F | 85.5 | Confident | 78.3 | Confident | 161 Ų | 161 | 75.2 Ų | 75.2 | 71% | 0.706 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 172.6 | -101 | -84.8 | 0 | 0 | 0 | 111.9 | T139 L140 L145 T146 L147 | T139-F143 PolarHBondContact O-N 2.96Å; L140-F143 PolarHBondContact O-N 3.42Å; F143-L145 VanDerWaalsContact C-N 3.34Å; F143-L145 PolarHBondContact O-N 2.95Å; F143-T146 PolarHBondContact O-N 2.81Å; F143-L147 WeakPolarHBondContact O-CB 3.36Å; F143-L147 PolarHBondContact O-N 2.87Å |
| 144 | S | 81.1 | Confident | 78.2 | Confident | 60 Ų | 60 | 78.4 Ų | 78.4 | 42% | 0.42 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 179.7 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | L140 A141 T148 | L140-S144 VanDerWaalsContact O-CB 3.32Å; L140-S144 WeakPolarHBondContact O-CB 3.39Å; L140-S144 PolarHBondContact O-N 3.49Å; L140-S144 PolarHBondContact O-OG 3.33Å; A141-S144 PolarHBondContact O-N 3.14Å; S144-T148 VanDerWaalsContact O-CB 3.27Å; S144-T148 WeakPolarHBondContact O-CB 3.43Å; S144-T148 PolarHBondContact O-N 2.85Å; S144-T148 PolarHBondContact O-OG1 3.49Å |
| 145 | L | 80.6 | Confident | 77.8 | Confident | 74 Ų | 74 | 85.3 Ų | 85.3 | 39% | 0.387 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.6 | -49.9 | 173.6 | -179.3 | 63.8 | 0 | 0 | 0 | 111.3 | A141 F143 L147 T148 L149 | A141-L145 WeakPolarHBondContact O-CB 3.32Å; A141-L145 PolarHBondContact O-N 2.81Å; F143-L145 VanDerWaalsContact C-N 3.34Å; F143-L145 PolarHBondContact O-N 2.95Å; L145-L147 PolarHBondContact O-N 3.43Å; L145-T148 PolarHBondContact O-N 3.01Å; L145-L149 HydrophobicContact CD1-CD1 4.34Å; L145-L149 HydrophobicContact CG-CD1 4.17Å; L145-L149 WeakPolarHBondContact O-CG 3.4Å; L145-L149 PolarHBondContact O-N 2.72Å |
| 146 | T | 82 | Confident | 77.1 | Confident | 82 Ų | 82 | 82.4 Ų | 82.4 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 177.8 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | A142 F143 T148 L149 V150 | A142-T146 WeakPolarHBondContact O-CB 3.31Å; A142-T146 PolarHBondContact O-N 3.32Å; A142-T146 PolarHBondContact O-OG1 3.42Å; F143-T146 PolarHBondContact O-N 2.81Å; T146-T148 PolarHBondContact O-N 3Å; T146-L149 PolarHBondContact O-N 3.48Å; T146-V150 WeakPolarHBondContact O-CG2 3.45Å; T146-V150 PolarHBondContact O-N 2.72Å |
| 147 | L | 83.4 | Confident | 75.8 | Confident | 105 Ų | 105 | 84.1 Ų | 84.1 | 55% | 0.55 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 178.8 | -175.7 | 65.5 | 0 | 0 | 0 | 111.8 | F143 L145 L149 V150 L151 | F143-L147 WeakPolarHBondContact O-CB 3.36Å; F143-L147 PolarHBondContact O-N 2.87Å; L145-L147 PolarHBondContact O-N 3.43Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-L149 PolarHBondContact O-N 3.48Å; L147-V150 PolarHBondContact O-N 3.23Å; L147-L151 HydrophobicContact CD1-CD1 4.21Å; L147-L151 HydrophobicContact CD1-CG 4.22Å; L147-L151 HydrophobicContact CG-CD1 3.93Å; L147-L151 HydrophobicContact CG-CG 4.35Å; L147-L151 WeakPolarHBondContact O-CB 3.16Å; L147-L151 VanDerWaalsContact O-CG 3.29Å; L147-L151 WeakPolarHBondContact O-CG 3.1Å; L147-L151 PolarHBondContact O-N 3.44Å |
| 148 | T | 80.3 | Confident | 74.6 | Confident | 67 Ų | 67 | 93.5 Ų | 93.5 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.7 | -59.4 | 0 | 0 | 0 | 0 | 111 | S144 L145 T146 V152 | S144-T148 VanDerWaalsContact O-CB 3.27Å; S144-T148 WeakPolarHBondContact O-CB 3.43Å; S144-T148 PolarHBondContact O-N 2.85Å; S144-T148 PolarHBondContact O-OG1 3.49Å; L145-T148 PolarHBondContact O-N 3.01Å; T146-T148 PolarHBondContact O-N 3Å; T148-V152 HydrophobicContact CG2-CG2 4.49Å; T148-V152 VanDerWaalsContact O-CB 3.28Å; T148-V152 WeakPolarHBondContact O-CB 3.48Å; T148-V152 WeakPolarHBondContact O-CG2 3.1Å; T148-V152 PolarHBondContact O-N 3.07Å |
| 149 | L | 79.6 | Confident | 72.9 | Confident | 71 Ų | 71 | 102.3 Ų | 102.3 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -51.1 | 174.8 | -73.2 | 166.8 | 0 | 0 | 0 | 111.1 | L145 T146 L147 L151 V152 F153 | L145-L149 HydrophobicContact CD1-CD1 4.34Å; L145-L149 HydrophobicContact CG-CD1 4.17Å; L145-L149 WeakPolarHBondContact O-CG 3.4Å; L145-L149 PolarHBondContact O-N 2.72Å; T146-L149 PolarHBondContact O-N 3.48Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-L149 PolarHBondContact O-N 3.48Å; L149-L151 PolarHBondContact O-N 3.23Å; L149-V152 PolarHBondContact O-N 3.12Å; L149-F153 VanDerWaalsContact O-CD2 3.26Å; L149-F153 WeakPolarHBondContact O-CD2 3.22Å; L149-F153 PolarHBondContact O-N 3.23Å |
| 150 | V | 80.3 | Confident | 72.5 | Confident | 73 Ų | 73 | 103.7 Ų | 103.7 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.8 | -50.8 | 178.9 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | T146 L147 V152 F153 E154 | T146-V150 WeakPolarHBondContact O-CG2 3.45Å; T146-V150 PolarHBondContact O-N 2.72Å; L147-V150 PolarHBondContact O-N 3.23Å; V150-V152 VanDerWaalsContact C-N 3.27Å; V150-V152 PolarHBondContact O-N 3.11Å; V150-F153 PolarHBondContact O-N 3.34Å; V150-F153 VanDerWaalsContact O-N 3.11Å; V150-E154 PolarHBondContact O-N 3.14Å |
| 151 | L | 78.6 | Confident | 72.1 | Confident | 92 Ų | 92 | 103.4 Ų | 103.4 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -33.3 | 178.2 | -70.4 | 174.6 | 0 | 0 | 0 | 112.7 | L147 L149 R155 | L147-L151 HydrophobicContact CD1-CD1 4.21Å; L147-L151 HydrophobicContact CD1-CG 4.22Å; L147-L151 HydrophobicContact CG-CD1 3.93Å; L147-L151 HydrophobicContact CG-CG 4.35Å; L147-L151 WeakPolarHBondContact O-CB 3.16Å; L147-L151 VanDerWaalsContact O-CG 3.29Å; L147-L151 WeakPolarHBondContact O-CG 3.1Å; L147-L151 PolarHBondContact O-N 3.44Å; L149-L151 PolarHBondContact O-N 3.23Å; L151-R155 WeakPolarHBondContact O-CB 3.43Å; L151-R155 PolarHBondContact O-N 3.45Å; L151-R155 VanDerWaalsContact O-N 3.08Å |
| 152 | V | 75.4 | Confident | 71.7 | Confident | 40 Ų | 40 | 108.4 Ų | 108.4 | 24% | 0.242 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -69.3 | -42.6 | 173.3 | 164.9 | 0 | 0 | 0 | 0 | 111.3 | R104 T148 L149 V150 Q156 | R104-V152 HydrophobicContact CG-CG2 4.45Å; T148-V152 HydrophobicContact CG2-CG2 4.49Å; T148-V152 VanDerWaalsContact O-CB 3.28Å; T148-V152 WeakPolarHBondContact O-CB 3.48Å; T148-V152 WeakPolarHBondContact O-CG2 3.1Å; T148-V152 PolarHBondContact O-N 3.07Å; L149-V152 PolarHBondContact O-N 3.12Å; V150-V152 VanDerWaalsContact C-N 3.27Å; V150-V152 PolarHBondContact O-N 3.11Å; V152-Q156 HydrophobicContact CG1-CG 4.37Å; V152-Q156 VanDerWaalsContact O-CB 3.25Å; V152-Q156 WeakPolarHBondContact O-CB 3.24Å; V152-Q156 WeakPolarHBondContact O-CG 3.21Å; V152-Q156 PolarHBondContact O-N 3.09Å; V152-Q156 VanDerWaalsContact O-N 3.11Å |
| 153 | F | 71.4 | Confident | 71.1 | Confident | 121 Ų | 121 | 111.8 Ų | 111.8 | 53% | 0.531 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 175.5 | -87.9 | -72.7 | 0 | 0 | 0 | 111.9 | L149 V150 R155 Q156 Q157 | L149-F153 VanDerWaalsContact O-CD2 3.26Å; L149-F153 WeakPolarHBondContact O-CD2 3.22Å; L149-F153 PolarHBondContact O-N 3.23Å; V150-F153 PolarHBondContact O-N 3.34Å; V150-F153 VanDerWaalsContact O-N 3.11Å; F153-R155 PolarHBondContact O-N 3.3Å; F153-Q156 CarbonylContact O-C 3.53Å; F153-Q156 WeakPolarHBondContact O-CA 3.38Å; F153-Q156 WeakPolarHBondContact O-CB 2.97Å; F153-Q156 PolarHBondContact O-N 3.47Å; F153-Q157 WeakPolarHBondContact O-CG 3.34Å; F153-Q157 PolarHBondContact O-N 3.28Å |
| 154 | E | 69.9 | Low | 70.2 | Confident | 116 Ų | 116 | 108.7 Ų | 108.7 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.1 | -71.4 | -159.1 | 148.4 | 0 | 0 | 112.3 | V150 Q156 Q157 R158 | V150-E154 PolarHBondContact O-N 3.14Å; E154-Q156 PolarHBondContact O-N 3.27Å; E154-Q156 VanDerWaalsContact O-N 3.14Å; E154-Q157 PolarHBondContact O-N 2.83Å; E154-Q157 VanDerWaalsContact O-N 3.1Å; E154-R158 PolarHBondContact O-N 2.97Å |
| 155 | R | 62.2 | Low | 69.5 | Low | 181 Ų | 181 | 111.9 Ų | 111.9 | 68% | 0.683 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.7 | 173.3 | -101 | -179 | 164.9 | 169.2 | -3.1 | 114.3 | L151 F153 | L151-R155 WeakPolarHBondContact O-CB 3.43Å; L151-R155 PolarHBondContact O-N 3.45Å; L151-R155 VanDerWaalsContact O-N 3.08Å; F153-R155 PolarHBondContact O-N 3.3Å |
| 156 | Q | 58.6 | Low | 68.7 | Low | 35 Ų | 35 | 114.6 Ų | 114.6 | 16% | 0.164 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -4.1 | 177.8 | -73 | -84.5 | -25.9 | 0 | 0 | 112.7 | R101 V152 F153 E154 | R101-Q156 PolarHBondContact NH2-O 2.92Å; V152-Q156 HydrophobicContact CG1-CG 4.37Å; V152-Q156 VanDerWaalsContact O-CB 3.25Å; V152-Q156 WeakPolarHBondContact O-CB 3.24Å; V152-Q156 WeakPolarHBondContact O-CG 3.21Å; V152-Q156 PolarHBondContact O-N 3.09Å; V152-Q156 VanDerWaalsContact O-N 3.11Å; F153-Q156 CarbonylContact O-C 3.53Å; F153-Q156 WeakPolarHBondContact O-CA 3.38Å; F153-Q156 WeakPolarHBondContact O-CB 2.97Å; F153-Q156 PolarHBondContact O-N 3.47Å; E154-Q156 PolarHBondContact O-N 3.27Å; E154-Q156 VanDerWaalsContact O-N 3.14Å |
| 157 | Q | 51.3 | Low | 67.7 | Low | 162 Ų | 162 | 117.2 Ų | 117.2 | 76% | 0.757 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -31.7 | 169.3 | -74.3 | -80.2 | -4.5 | 0 | 0 | 111.1 | F153 E154 K159 | F153-Q157 WeakPolarHBondContact O-CG 3.34Å; F153-Q157 PolarHBondContact O-N 3.28Å; E154-Q157 PolarHBondContact O-N 2.83Å; E154-Q157 VanDerWaalsContact O-N 3.1Å; Q157-K159 VanDerWaalsContact C-N 3.34Å |
| 158 | R | 47.6 | Very low | 66.4 | Low | 229 Ų | 229 | 118.2 Ų | 118.2 | 86% | 0.864 | 54% | 0.541 | S | S | * | . | trans | -84.9 | 5.4 | 175.9 | -76.8 | -166.6 | 178.3 | -136.2 | 6.1 | 115 | E154 | E154-R158 PolarHBondContact O-N 2.97Š| ||
| 159 | K | 41.6 | Very low | 65.1 | Low | 231 Ų | 231 | 122.8 Ų | 122.8 | 100% | 1.004 | 55% | 0.553 | S | S | * | * | trans | -132.6 | 0 | 179.4 | -81.9 | -164.3 | 169 | -154.7 | 0 | 109.8 | Q157 | Q157-K159 VanDerWaalsContact C-N 3.34Š|
Retrieved 159 of 159 residues in 132.5 ms
(Link to these results)