| 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 | 37.7 | Very low | 34.5 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 100% | 1.138 | 79% | 0.794 | S | S | * | * | 0 | 66.5 | 0 | -74.3 | 177.6 | 165.4 | 0 | 0 | 107.1 | |||||
| 2 | E | 27.6 | Very low | 34.3 | Very low | 186 Ų | 186 | 152.5 Ų | 152.5 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | 54.2 | 105.7 | 70.4 | -70.6 | -175.3 | 147.2 | 0 | 0 | 110.7 | |||||
| 3 | S | 36.4 | Very low | 34 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | 86.9 | 90.2 | 85.6 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 4 | C | 36.8 | Very low | 33.8 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 91% | 0.905 | 79% | 0.785 | S | S | * | * | trans | -165.1 | 51.4 | 160.2 | -127.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 5 | A | 39.5 | Very low | 33.7 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -134.8 | -6.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 6 | G | 36.8 | Very low | 33.7 | Very low | 65 Ų | 65 | 157.1 Ų | 157.1 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -92.8 | -4.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 7 | S | 36.1 | Very low | 33.7 | Very low | 77 Ų | 77 | 158.9 Ų | 158.9 | 54% | 0.538 | 80% | 0.8 | S | S | . | * | S | Bend | trans | -88.6 | -18.1 | -168 | -162.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 8 | W | 31.5 | Very low | 33.6 | Very low | 211 Ų | 211 | 159.9 Ų | 159.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -91.4 | -20.3 | -171.4 | -77.4 | 95.4 | 0 | 0 | 0 | 115 | ||
| 9 | R | 31.5 | Very low | 33.7 | Very low | 229 Ų | 229 | 161.7 Ų | 161.7 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -9.9 | 173.7 | -86.1 | -171.3 | -169.7 | 178.9 | 4.1 | 114.7 | ||
| 10 | R | 33.6 | Very low | 33.6 | Very low | 208 Ų | 208 | 160.1 Ų | 160.1 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -14.8 | 178.5 | -156 | 178.8 | -68.2 | -156.2 | -0.8 | 112.9 | ||
| 11 | L | 32 | Very low | 33.6 | Very low | 105 Ų | 105 | 159.5 Ų | 159.5 | 55% | 0.55 | 81% | 0.806 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | -25.8 | -178 | -85.3 | 153.2 | 0 | 0 | 0 | 113.6 | ||
| 12 | E | 31.4 | Very low | 33.6 | Very low | 171 Ų | 171 | 154 Ų | 154 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -16.5 | 175.4 | -73.1 | -177.5 | 146.3 | 0 | 0 | 113.6 | ||
| 13 | H | 30.9 | Very low | 34.1 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -0.3 | 177.2 | -129.3 | -65.7 | 0 | 0 | 0 | 113.7 | ||
| 14 | S | 31.7 | Very low | 34.2 | Very low | 92 Ų | 92 | 153.5 Ų | 153.5 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -107.4 | 6.6 | -174.2 | -167.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 15 | Q | 32.2 | Very low | 34.5 | Very low | 186 Ų | 186 | 155.8 Ų | 155.8 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -120.8 | 27.7 | 178.8 | -77.9 | -167 | -26.3 | 0 | 0 | 113.5 | ||
| 16 | R | 33.4 | Very low | 34.7 | Very low | 230 Ų | 230 | 154.9 Ų | 154.9 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -137.7 | 40.7 | 173.7 | -146.7 | -177.9 | -156.2 | -171.8 | 5.5 | 113.4 | ||||
| 17 | E | 32.9 | Very low | 35.4 | Very low | 189 Ų | 189 | 154.6 Ų | 154.6 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -104.8 | 91.2 | 154.5 | -72.4 | 179.5 | 174.1 | 0 | 0 | 105.1 | E19 | E17-E19 PolarHBondContact O-N 2.79Å; E17-E19 VanDerWaalsContact O-N 3.14Å | ||
| 18 | E | 33.1 | Very low | 36.5 | Very low | 176 Ų | 176 | 155.5 Ų | 155.5 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -57.6 | 112.1 | 158.8 | -84.8 | 171.8 | 142.1 | 0 | 0 | 106.2 | T20 | E18-T20 PolarHBondContact O-N 3.14Š| ||
| 19 | E | 34.6 | Very low | 37.7 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | trans | -58 | 84.5 | 156.3 | -88.2 | 177 | 146.7 | 0 | 0 | 107.3 | E17 D21 | E17-E19 PolarHBondContact O-N 2.79Å; E17-E19 VanDerWaalsContact O-N 3.14Å; E19-D21 VanDerWaalsContact C-N 3.31Å; E19-D21 PolarHBondContact O-N 3.09Å; E19-D21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | T | 32 | Very low | 39.3 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -63.5 | 101.7 | 152.2 | 5.6 | 0 | 0 | 0 | 0 | 105.8 | E18 | E18-T20 PolarHBondContact O-N 3.14Š| ||
| 21 | D | 33.1 | Very low | 40.9 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -41.3 | 125.6 | 159.3 | -97.9 | -35.8 | 0 | 0 | 0 | 107.6 | E19 E23 | E19-D21 VanDerWaalsContact C-N 3.31Å; E19-D21 PolarHBondContact O-N 3.09Å; E19-D21 VanDerWaalsContact O-N 3.09Å; D21-E23 PolarHBondContact O-N 2.86Å | ||
| 22 | P | 38.5 | Very low | 43 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -63.7 | 107 | 173.7 | 24.5 | -28.8 | 0 | 0 | 0 | 107 | ||||
| 23 | E | 37.6 | Very low | 45.3 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | -41.6 | 132.7 | 163 | -166.3 | 177.6 | 171.9 | 0 | 0 | 107.6 | D21 Q25 | D21-E23 PolarHBondContact O-N 2.86Å; E23-Q25 VanDerWaalsContact C-N 3.27Å; E23-Q25 PolarHBondContact O-N 2.67Å | ||
| 24 | P | 38.3 | Very low | 47.8 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 68% | 0.675 | S | S | * | * | trans | -62.2 | 94 | -176.1 | 22.7 | -30.8 | 0 | 0 | 0 | 108.6 | A26 | P24-A26 PolarHBondContact O-N 3.1Å; P24-A26 VanDerWaalsContact O-N 3.1Å | ||
| 25 | Q | 43.9 | Very low | 50.4 | Low | 181 Ų | 181 | 126.5 Ų | 126.5 | 85% | 0.846 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 119.9 | -179.9 | -76.6 | -173.3 | -7 | 0 | 0 | 106.9 | E23 | E23-Q25 VanDerWaalsContact C-N 3.27Å; E23-Q25 PolarHBondContact O-N 2.67Å |
| 26 | A | 44.5 | Very low | 53.2 | Low | 80 Ų | 80 | 125 Ų | 125 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 130.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108 | P24 | P24-A26 PolarHBondContact O-N 3.1Å; P24-A26 VanDerWaalsContact O-N 3.1Å |
| 27 | P | 51.5 | Low | 55.9 | Low | 59 Ų | 59 | 118.1 Ų | 118.1 | 38% | 0.383 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 140.9 | -176 | 22 | -31.7 | 0 | 0 | 0 | 109.4 | S31 Q32 | P27-S31 WeakPolarHBondContact CB-OG 3.43Å; P27-Q32 HydrophobicContact CG-CG 3.96Å |
| 28 | P | 58.7 | Low | 58.8 | Low | 96 Ų | 96 | 109.7 Ų | 109.7 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 142.9 | -173.6 | 17.1 | -28.7 | 0 | 0 | 0 | 111.1 | D30 S31 Q32 | P28-D30 PolarHBondContact O-N 3.31Å; P28-S31 WeakPolarHBondContact CD-OG 3.37Å; P28-S31 WeakPolarHBondContact O-CA 3.47Å; P28-S31 WeakPolarHBondContact O-CB 3.46Å; P28-S31 PolarHBondContact O-N 2.81Å; P28-S31 PolarHBondContact O-OG 2.97Å; P28-Q32 PolarHBondContact O-N 2.61Å |
| 29 | L | 57.3 | Low | 61.7 | Low | 151 Ų | 151 | 101.5 Ų | 101.5 | 79% | 0.791 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -46.9 | -35.5 | -174 | -96.9 | 136.3 | 0 | 0 | 0 | 114.2 | Q32 S33 | L29-Q32 PolarHBondContact O-N 2.96Å; L29-S33 PolarHBondContact O-N 3.09Å; L29-S33 VanDerWaalsContact O-N 3.09Å |
| 30 | D | 63.6 | Low | 64.6 | Low | 141 Ų | 141 | 95.3 Ų | 95.3 | 75% | 0.754 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -37.2 | 177.1 | -68.7 | -29.8 | 0 | 0 | 0 | 112.9 | P28 S33 A34 | P28-D30 PolarHBondContact O-N 3.31Å; D30-S33 PolarHBondContact O-N 3.01Å; D30-A34 PolarHBondContact O-N 3.46Å |
| 31 | S | 68.5 | Low | 67.6 | Low | 22 Ų | 22 | 89.2 Ų | 89.2 | 15% | 0.154 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -72.6 | -33.6 | 177.1 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | P27 P28 Q35 | P27-S31 WeakPolarHBondContact CB-OG 3.43Å; P28-S31 WeakPolarHBondContact CD-OG 3.37Å; P28-S31 WeakPolarHBondContact O-CA 3.47Å; P28-S31 WeakPolarHBondContact O-CB 3.46Å; P28-S31 PolarHBondContact O-N 2.81Å; P28-S31 PolarHBondContact O-OG 2.97Å; S31-Q35 WeakPolarHBondContact O-CB 3.49Å; S31-Q35 VanDerWaalsContact O-CG 3.22Å; S31-Q35 WeakPolarHBondContact O-CG 3.22Å; S31-Q35 PolarHBondContact O-N 3.37Å |
| 32 | Q | 74.7 | Confident | 70.6 | Confident | 92 Ų | 92 | 82.2 Ų | 82.2 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 172.6 | -72.4 | -172.4 | 3.8 | 0 | 0 | 111.7 | P27 P28 L29 Q35 W36 | P27-Q32 HydrophobicContact CG-CG 3.96Å; P28-Q32 PolarHBondContact O-N 2.61Å; L29-Q32 PolarHBondContact O-N 2.96Å; Q32-Q35 PolarHBondContact O-N 3.44Å; Q32-W36 WeakPolarHBondContact O-CB 3.43Å; Q32-W36 PolarHBondContact O-N 2.96Å |
| 33 | S | 81.1 | Confident | 73.4 | Confident | 57 Ų | 57 | 80 Ų | 80 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 175.1 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | L29 D30 W36 K37 | L29-S33 PolarHBondContact O-N 3.09Å; L29-S33 VanDerWaalsContact O-N 3.09Å; D30-S33 PolarHBondContact O-N 3.01Å; S33-W36 PolarHBondContact O-N 3.4Å; S33-K37 WeakPolarHBondContact O-CB 3.49Å; S33-K37 VanDerWaalsContact O-CG 3.29Å; S33-K37 WeakPolarHBondContact O-CG 3.45Å; S33-K37 PolarHBondContact O-N 3.35Å |
| 34 | A | 83.3 | Confident | 76.2 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 22% | 0.223 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D30 W36 K37 N38 | D30-A34 PolarHBondContact O-N 3.46Å; A34-W36 VanDerWaalsContact C-N 3.35Å; A34-W36 PolarHBondContact O-N 3.23Å; A34-K37 PolarHBondContact O-N 2.97Å; A34-N38 WeakPolarHBondContact O-CB 3.3Å; A34-N38 PolarHBondContact O-N 3.43Å; A34-N38 PolarHBondContact O-ND2 3.42Å |
| 35 | Q | 85.9 | Confident | 79 | Confident | 93 Ų | 93 | 67.9 Ų | 67.9 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 176.5 | -76.1 | 174.5 | 13.4 | 0 | 0 | 112.4 | S31 Q32 N38 A39 | S31-Q35 WeakPolarHBondContact O-CB 3.49Å; S31-Q35 VanDerWaalsContact O-CG 3.22Å; S31-Q35 WeakPolarHBondContact O-CG 3.22Å; S31-Q35 PolarHBondContact O-N 3.37Å; Q32-Q35 PolarHBondContact O-N 3.44Å; Q35-N38 PolarHBondContact O-N 3.44Å; Q35-A39 VanDerWaalsContact O-CB 3.3Å; Q35-A39 WeakPolarHBondContact O-CB 2.99Å; Q35-A39 PolarHBondContact O-N 2.87Å |
| 36 | W | 89.8 | Confident | 81.5 | Confident | 154 Ų | 154 | 59.2 Ų | 59.2 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -70.2 | -39.4 | 178.4 | -171.7 | 88 | 0 | 0 | 0 | 112.4 | Q32 S33 A34 N38 A39 M40 | Q32-W36 WeakPolarHBondContact O-CB 3.43Å; Q32-W36 PolarHBondContact O-N 2.96Å; S33-W36 PolarHBondContact O-N 3.4Å; A34-W36 VanDerWaalsContact C-N 3.35Å; A34-W36 PolarHBondContact O-N 3.23Å; W36-N38 VanDerWaalsContact C-N 3.34Å; W36-N38 PolarHBondContact O-N 3.33Å; W36-A39 WeakPolarHBondContact O-CB 3.39Å; W36-A39 PolarHBondContact O-N 3.17Å; W36-M40 HydrophobicContact CD2-CG 4.08Å; W36-M40 HydrophobicContact CD2-SD 4.14Å; W36-M40 HydrophobicContact CE3-CG 4.04Å; W36-M40 HydrophobicContact CE3-SD 3.59Å; W36-M40 VanDerWaalsContact CE3-SD 3.59Å; W36-M40 HydrophobicContact CH2-CE 3.87Å; W36-M40 HydrophobicContact CH2-CG 3.94Å; W36-M40 HydrophobicContact CH2-SD 2.97Å; W36-M40 WeakPolarHBondContact CH2-SD 2.97Å; W36-M40 HydrophobicContact CZ2-CE 4.36Å; W36-M40 HydrophobicContact CZ2-CG 3.89Å; W36-M40 HydrophobicContact CZ2-SD 3.53Å; W36-M40 VanDerWaalsContact CZ2-SD 3.53Å; W36-M40 HydrophobicContact CZ3-CE 4.36Å; W36-M40 HydrophobicContact CZ3-CG 4.01Å; W36-M40 HydrophobicContact CZ3-SD 2.99Å; W36-M40 WeakPolarHBondContact CZ3-SD 3.29Å; W36-M40 PolarHBondContact O-N 3.08Å |
| 37 | K | 91.9 | Very high | 84 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 171.8 | -75.1 | 174.1 | -176.4 | 179.3 | 0 | 111.6 | S33 A34 M40 G41 L231 T233 | S33-K37 WeakPolarHBondContact O-CB 3.49Å; S33-K37 VanDerWaalsContact O-CG 3.29Å; S33-K37 WeakPolarHBondContact O-CG 3.45Å; S33-K37 PolarHBondContact O-N 3.35Å; A34-K37 PolarHBondContact O-N 2.97Å; K37-M40 PolarHBondContact O-N 2.79Å; K37-G41 PolarHBondContact O-N 2.87Å; K37-L231 HydrophobicContact CB-CD1 4.29Å; K37-L231 HydrophobicContact CG-CD1 4.32Å; K37-T233 HydrophobicContact CD-CG2 4.31Å |
| 38 | N | 92.6 | Very high | 86.1 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.064 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 177.2 | -67.6 | -21.6 | 0 | 0 | 0 | 111.4 | A34 Q35 W36 G41 F42 Y177 M181 T233 | A34-N38 WeakPolarHBondContact O-CB 3.3Å; A34-N38 PolarHBondContact O-N 3.43Å; A34-N38 PolarHBondContact O-ND2 3.42Å; Q35-N38 PolarHBondContact O-N 3.44Å; W36-N38 VanDerWaalsContact C-N 3.34Å; W36-N38 PolarHBondContact O-N 3.33Å; N38-G41 WeakPolarHBondContact O-CA 3.47Å; N38-G41 PolarHBondContact O-N 3.42Å; N38-G41 VanDerWaalsContact O-N 3.16Å; N38-F42 VanDerWaalsContact O-CD2 3.3Å; N38-F42 WeakPolarHBondContact O-CD2 3.41Å; N38-F42 PolarHBondContact O-N 2.9Å; N38-Y177 HydrophobicContact CB-CD1 4.27Å; N38-Y177 HydrophobicContact CB-CE1 4.27Å; N38-M181 VanDerWaalsContact C-SD 3.57Å; N38-M181 HydrophobicContact CB-SD 3.86Å; N38-T233 PolarHBondContact ND2-OG1 3.02Å; N38-T233 VanDerWaalsContact ND2-OG1 3.17Å; N38-T233 PolarHBondContact OD1-N 3.48Å; N38-T233 PolarHBondContact OD1-O 2.82Å; N38-T233 PolarHBondContact OD1-OG1 3.09Å |
| 39 | A | 93.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -50.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q35 W36 G41 W43 M181 W184 | Q35-A39 VanDerWaalsContact O-CB 3.3Å; Q35-A39 WeakPolarHBondContact O-CB 2.99Å; Q35-A39 PolarHBondContact O-N 2.87Å; W36-A39 WeakPolarHBondContact O-CB 3.39Å; W36-A39 PolarHBondContact O-N 3.17Å; A39-G41 VanDerWaalsContact C-N 3.3Å; A39-G41 PolarHBondContact O-N 2.93Å; A39-W43 WeakPolarHBondContact O-CB 3.27Å; A39-W43 PolarHBondContact O-N 3.21Å; A39-M181 HydrophobicContact CB-CE 4.26Å; A39-M181 HydrophobicContact CB-SD 4.18Å; A39-M181 PolarHBondContact N-SD 3.28Å; A39-M181 VanDerWaalsContact N-SD 3.42Å; A39-W184 HydrophobicContact CB-CD2 3.75Å; A39-W184 HydrophobicContact CB-CE3 4.47Å; A39-W184 HydrophobicContact CB-CG 3.78Å; A39-W184 HydrophobicContact CB-CZ2 4.19Å; A39-W184 WeakPolarHBondContact O-CB 3.44Å |
| 40 | M | 95.6 | Very high | 89.5 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 32% | 0.32 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.2 | -42 | 172.4 | -73.7 | -171 | 89.8 | 0 | 0 | 112.1 | W36 K37 W43 I44 L231 | W36-M40 HydrophobicContact CD2-CG 4.08Å; W36-M40 HydrophobicContact CD2-SD 4.14Å; W36-M40 HydrophobicContact CE3-CG 4.04Å; W36-M40 HydrophobicContact CE3-SD 3.59Å; W36-M40 VanDerWaalsContact CE3-SD 3.59Å; W36-M40 HydrophobicContact CH2-CE 3.87Å; W36-M40 HydrophobicContact CH2-CG 3.94Å; W36-M40 HydrophobicContact CH2-SD 2.97Å; W36-M40 WeakPolarHBondContact CH2-SD 2.97Å; W36-M40 HydrophobicContact CZ2-CE 4.36Å; W36-M40 HydrophobicContact CZ2-CG 3.89Å; W36-M40 HydrophobicContact CZ2-SD 3.53Å; W36-M40 VanDerWaalsContact CZ2-SD 3.53Å; W36-M40 HydrophobicContact CZ3-CE 4.36Å; W36-M40 HydrophobicContact CZ3-CG 4.01Å; W36-M40 HydrophobicContact CZ3-SD 2.99Å; W36-M40 WeakPolarHBondContact CZ3-SD 3.29Å; W36-M40 PolarHBondContact O-N 3.08Å; K37-M40 PolarHBondContact O-N 2.79Å; M40-W43 PolarHBondContact O-N 3.45Å; M40-I44 WeakPolarHBondContact O-CG1 3.2Å; M40-I44 PolarHBondContact O-N 3.16Å; M40-L231 HydrophobicContact CB-CD2 3.98Å |
| 41 | G | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.5 | -55.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K37 N38 A39 W43 I44 L45 S227 | K37-G41 PolarHBondContact O-N 2.87Å; N38-G41 WeakPolarHBondContact O-CA 3.47Å; N38-G41 PolarHBondContact O-N 3.42Å; N38-G41 VanDerWaalsContact O-N 3.16Å; A39-G41 VanDerWaalsContact C-N 3.3Å; A39-G41 PolarHBondContact O-N 2.93Å; G41-W43 VanDerWaalsContact C-N 3.31Å; G41-W43 PolarHBondContact O-N 3.28Å; G41-I44 PolarHBondContact O-N 3.45Å; G41-L45 WeakPolarHBondContact O-CB 3.43Å; G41-L45 VanDerWaalsContact O-CG 3.23Å; G41-L45 WeakPolarHBondContact O-CG 3.49Å; G41-L45 PolarHBondContact O-N 3.39Å; G41-S227 VanDerWaalsContact CA-OG 3.23Å; G41-S227 WeakPolarHBondContact CA-OG 3.43Å; G41-S227 PolarHBondContact O-OG 2.85Å |
| 42 | F | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -35.4 | 177 | -83.6 | -73.2 | 0 | 0 | 0 | 113.1 | N38 L45 G46 L173 T174 Y177 M181 W184 W185 L232 | N38-F42 VanDerWaalsContact O-CD2 3.3Å; N38-F42 WeakPolarHBondContact O-CD2 3.41Å; N38-F42 PolarHBondContact O-N 2.9Å; F42-L45 PolarHBondContact O-N 2.86Å; F42-G46 PolarHBondContact O-N 2.99Å; F42-L173 HydrophobicContact CE1-CD2 4.29Å; F42-L173 HydrophobicContact CE1-CG 4.47Å; F42-L173 HydrophobicContact CZ-CD2 4.15Å; F42-L173 HydrophobicContact CZ-CG 4.15Å; F42-T174 HydrophobicContact CD1-CG2 4.01Å; F42-T174 HydrophobicContact CE1-CG2 3.59Å; F42-T174 HydrophobicContact CZ-CG2 4.16Å; F42-Y177 AromaticContact CE2-CD1 3.84Å; F42-Y177 HydrophobicContact CE2-CD1 3.84Å; F42-Y177 AromaticContact CE2-CD2 3.77Å; F42-Y177 HydrophobicContact CE2-CD2 3.77Å; F42-Y177 HydrophobicContact CE2-CE1 4.15Å; F42-Y177 HydrophobicContact CE2-CE2 4.1Å; F42-Y177 AromaticContact CE2-CG 3.63Å; F42-Y177 HydrophobicContact CE2-CG 3.63Å; F42-Y177 AromaticContact CZ-CD2 3.66Å; F42-Y177 HydrophobicContact CZ-CD2 3.66Å; F42-Y177 AromaticContact CZ-CE2 3.97Å; F42-Y177 HydrophobicContact CZ-CE2 3.97Å; F42-Y177 AromaticContact CZ-CG 3.98Å; F42-Y177 HydrophobicContact CZ-CG 3.98Å; F42-M181 HydrophobicContact CD2-CB 3.61Å; F42-M181 HydrophobicContact CD2-CG 3.73Å; F42-M181 HydrophobicContact CD2-SD 3.95Å; F42-M181 HydrophobicContact CE2-CB 3.89Å; F42-M181 HydrophobicContact CE2-CG 3.91Å; F42-M181 HydrophobicContact CG-CB 4.07Å; F42-W184 HydrophobicContact CB-CB 4.36Å; F42-W185 HydrophobicContact CB-CB 4.25Å; F42-W185 HydrophobicContact CD1-CB 4.26Å; F42-W185 WeakPolarHBondContact O-CA 3.44Å; F42-L232 HydrophobicContact CD2-CD2 3.95Å; F42-L232 HydrophobicContact CE2-CD2 3.57Å; F42-L232 HydrophobicContact CZ-CD2 4.14Å |
| 43 | W | 97 | Very high | 92.4 | Very high | 72 Ų | 72 | 32.9 Ų | 32.9 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 175.1 | -170.5 | 87.1 | 0 | 0 | 0 | 112.3 | A39 M40 G41 G46 L47 W184 S187 G188 L195 | A39-W43 WeakPolarHBondContact O-CB 3.27Å; A39-W43 PolarHBondContact O-N 3.21Å; M40-W43 PolarHBondContact O-N 3.45Å; G41-W43 VanDerWaalsContact C-N 3.31Å; G41-W43 PolarHBondContact O-N 3.28Å; W43-G46 PolarHBondContact O-N 3.42Å; W43-L47 HydrophobicContact CH2-CD2 3.89Å; W43-L47 HydrophobicContact CZ3-CD2 3.73Å; W43-L47 WeakPolarHBondContact O-CB 3.41Å; W43-L47 PolarHBondContact O-N 2.81Å; W43-W184 WeakPolarHBondContact CA-O 3.47Å; W43-W184 HydrophobicContact CB-CB 4.42Å; W43-W184 HydrophobicContact CB-CE3 4.05Å; W43-W184 HydrophobicContact CG-CE3 4.23Å; W43-S187 PolarHBondContact NE1-OG 3.22Å; W43-G188 WeakPolarHBondContact O-CA 3.38Å; W43-L195 HydrophobicContact CH2-CD1 4.42Å |
| 44 | I | 97.3 | Very high | 92.7 | Very high | 33 Ų | 33 | 31 Ų | 31 | 17% | 0.169 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 176.4 | -66.5 | 169.6 | 0 | 0 | 0 | 110.5 | M40 G41 L47 C48 L223 L231 | M40-I44 WeakPolarHBondContact O-CG1 3.2Å; M40-I44 PolarHBondContact O-N 3.16Å; G41-I44 PolarHBondContact O-N 3.45Å; I44-L47 PolarHBondContact O-N 3.4Å; I44-C48 WeakPolarHBondContact O-CB 3.47Å; I44-C48 PolarHBondContact O-N 3.45Å; I44-C48 PolarHBondContact O-SG 2.87Å; I44-L223 HydrophobicContact CG2-CB 4.37Å; I44-L231 HydrophobicContact CD1-CD2 3.83Å |
| 45 | L | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 176.1 | -71.7 | 177.7 | 0 | 0 | 0 | 111.2 | G41 F42 L47 C48 N49 F170 W185 L224 L232 | G41-L45 WeakPolarHBondContact O-CB 3.43Å; G41-L45 VanDerWaalsContact O-CG 3.23Å; G41-L45 WeakPolarHBondContact O-CG 3.49Å; G41-L45 PolarHBondContact O-N 3.39Å; F42-L45 PolarHBondContact O-N 2.86Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-L47 PolarHBondContact O-N 3.13Å; L45-C48 PolarHBondContact O-N 2.71Å; L45-N49 WeakPolarHBondContact O-CB 3.3Å; L45-N49 PolarHBondContact O-N 3.09Å; L45-F170 HydrophobicContact CB-CD1 4.5Å; L45-F170 HydrophobicContact CB-CG 4.48Å; L45-F170 HydrophobicContact CD1-CD1 3.65Å; L45-F170 HydrophobicContact CD1-CE1 3.72Å; L45-F170 HydrophobicContact CD1-CG 4.34Å; L45-F170 HydrophobicContact CD1-CZ 4.48Å; L45-F170 HydrophobicContact CD2-CD1 4.36Å; L45-F170 HydrophobicContact CD2-CE1 3.68Å; L45-F170 HydrophobicContact CD2-CE2 4.35Å; L45-F170 HydrophobicContact CD2-CZ 3.69Å; L45-F170 HydrophobicContact CG-CD1 4.4Å; L45-F170 HydrophobicContact CG-CE1 4.19Å; L45-F170 HydrophobicContact CG-CZ 4.49Å; L45-W185 HydrophobicContact CB-CE3 4.07Å; L45-W185 HydrophobicContact CB-CZ3 3.8Å; L45-L224 HydrophobicContact CD2-CG 4.09Å; L45-L224 VanDerWaalsContact CD2-O 3.31Å; L45-L224 WeakPolarHBondContact CD2-O 3.49Å; L45-L232 HydrophobicContact CD1-CD1 3.36Å; L45-L232 HydrophobicContact CG-CD1 4.4Å |
| 46 | G | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | F42 W43 W185 G188 T189 | F42-G46 PolarHBondContact O-N 2.99Å; W43-G46 PolarHBondContact O-N 3.42Å; G46-W185 VanDerWaalsContact N-CE3 3.32Å; G46-G188 VanDerWaalsContact C-C 3.44Å; G46-T189 WeakPolarHBondContact O-CA 3.38Å; G46-T189 WeakPolarHBondContact O-CG2 3.39Å |
| 47 | L | 96.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 20.8 Ų | 20.8 | 13% | 0.126 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60 | -55.1 | 176 | 177.8 | 66.5 | 0 | 0 | 0 | 111.5 | W43 I44 L45 F51 G188 A192 L195 | W43-L47 HydrophobicContact CH2-CD2 3.89Å; W43-L47 HydrophobicContact CZ3-CD2 3.73Å; W43-L47 WeakPolarHBondContact O-CB 3.41Å; W43-L47 PolarHBondContact O-N 2.81Å; I44-L47 PolarHBondContact O-N 3.4Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-L47 PolarHBondContact O-N 3.13Å; L47-F51 WeakPolarHBondContact O-CB 3.38Å; L47-F51 PolarHBondContact O-N 3.32Å; L47-G188 VanDerWaalsContact CA-O 3.25Å; L47-G188 WeakPolarHBondContact CA-O 3.29Å; L47-G188 VanDerWaalsContact N-C 3.34Å; L47-G188 PolarHBondContact N-O 2.87Å; L47-A192 HydrophobicContact CD1-CB 4.16Å; L47-A192 VanDerWaalsContact O-CB 3.24Å; L47-A192 WeakPolarHBondContact O-CB 3.34Å; L47-L195 HydrophobicContact CD1-CB 4.28Å; L47-L195 HydrophobicContact CD1-CD1 3.79Å; L47-L195 HydrophobicContact CD2-CD1 4.14Å |
| 48 | C | 96.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.02 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.4 | -31.7 | -172.6 | -65 | 0 | 0 | 0 | 0 | 113.2 | I44 L45 N50 F51 V220 L224 | I44-C48 WeakPolarHBondContact O-CB 3.47Å; I44-C48 PolarHBondContact O-N 3.45Å; I44-C48 PolarHBondContact O-SG 2.87Å; L45-C48 PolarHBondContact O-N 2.71Å; C48-N50 PolarHBondContact O-N 2.53Å; C48-F51 PolarHBondContact O-N 2.81Å; C48-V220 HydrophobicContact CB-CG1 3.73Å; C48-L224 HydrophobicContact CB-CB 3.7Å; C48-L224 HydrophobicContact CB-CD1 3.97Å; C48-L224 HydrophobicContact CB-CG 4.3Å |
| 49 | N | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | -178.9 | -173.6 | 74.6 | 0 | 0 | 0 | 112.5 | L45 S163 G166 E167 F170 W185 L224 | L45-N49 WeakPolarHBondContact O-CB 3.3Å; L45-N49 PolarHBondContact O-N 3.09Å; N49-S163 PolarHBondContact ND2-O 2.95Å; N49-G166 VanDerWaalsContact OD1-C 3.3Å; N49-G166 WeakPolarHBondContact OD1-CA 3.49Å; N49-E167 PolarHBondContact ND2-N 3.25Å; N49-E167 PolarHBondContact OD1-N 3.3Å; N49-F170 HydrophobicContact CB-CD2 4.46Å; N49-F170 HydrophobicContact CB-CE2 4.43Å; N49-W185 HydrophobicContact CB-CH2 3.76Å; N49-W185 HydrophobicContact CB-CZ3 4.36Å; N49-L224 HydrophobicContact CB-CD1 4.48Å |
| 50 | N | 91.4 | Very high | 88.6 | Confident | 22 Ų | 22 | 18.7 Ų | 18.7 | 12% | 0.118 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -92.5 | -6.2 | -175.7 | -68.6 | 5.7 | 0 | 0 | 0 | 112.7 | C48 Y53 V54 S163 A192 | C48-N50 PolarHBondContact O-N 2.53Å; N50-Y53 WeakPolarHBondContact O-CB 3.4Å; N50-Y53 PolarHBondContact O-N 3.38Å; N50-V54 WeakPolarHBondContact O-CG2 3.25Å; N50-V54 PolarHBondContact O-N 3.22Å; N50-V54 VanDerWaalsContact O-N 3.11Å; N50-S163 PolarHBondContact OD1-OG 2.87Å; N50-A192 HydrophobicContact CB-CB 3.73Å |
| 51 | F | 92.4 | Very high | 86.9 | Confident | 16 Ų | 16 | 19.8 Ų | 19.8 | 7% | 0.07 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.5 | -45.3 | -172.4 | -165.3 | -80.2 | 0 | 0 | 0 | 112.6 | L47 C48 Y53 V54 V55 F140 L195 S199 M217 V220 | L47-F51 WeakPolarHBondContact O-CB 3.38Å; L47-F51 PolarHBondContact O-N 3.32Å; C48-F51 PolarHBondContact O-N 2.81Å; F51-Y53 VanDerWaalsContact C-N 3.29Å; F51-Y53 PolarHBondContact O-N 3.49Å; F51-V54 PolarHBondContact O-N 3.16Å; F51-V55 HydrophobicContact CD1-CG2 3.69Å; F51-V55 HydrophobicContact CE1-CG2 3.49Å; F51-V55 VanDerWaalsContact CE1-CG2 3.49Å; F51-V55 HydrophobicContact CZ-CG2 4.31Å; F51-V55 WeakPolarHBondContact O-CG2 3.43Å; F51-V55 PolarHBondContact O-N 2.77Å; F51-F140 HydrophobicContact CD1-CZ 4.31Å; F51-L195 HydrophobicContact CE2-CB 4.45Å; F51-S199 WeakPolarHBondContact CZ-OG 3.13Å; F51-M217 HydrophobicContact CE1-CE 4.44Å; F51-M217 HydrophobicContact CE1-CG 4.25Å; F51-M217 HydrophobicContact CE1-SD 3.71Å; F51-M217 HydrophobicContact CZ-SD 3.99Å; F51-V220 HydrophobicContact CB-CG1 3.74Å; F51-V220 HydrophobicContact CD1-CB 4.35Å; F51-V220 HydrophobicContact CD1-CG1 4.05Å; F51-V220 HydrophobicContact CD1-CG2 3.64Å; F51-V220 HydrophobicContact CD2-CG2 4.47Å; F51-V220 HydrophobicContact CE1-CG2 3.65Å; F51-V220 HydrophobicContact CE2-CG2 4.49Å; F51-V220 HydrophobicContact CG-CG1 3.96Å; F51-V220 HydrophobicContact CG-CG2 4.05Å; F51-V220 HydrophobicContact CZ-CG2 4.08Å |
| 52 | S | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.5 | -41.9 | 177.9 | 46 | 0 | 0 | 0 | 0 | 111.4 | V55 M56 | S52-V55 PolarHBondContact O-N 2.76Å; S52-M56 WeakPolarHBondContact O-CB 3Å; S52-M56 WeakPolarHBondContact O-CG 3.21Å; S52-M56 PolarHBondContact O-N 3.12Å |
| 53 | Y | 85.2 | Confident | 83.9 | Confident | 23 Ų | 23 | 24 Ų | 24 | 9% | 0.09 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.8 | -52.4 | 175.1 | 176.2 | -94.3 | 0 | 0 | 0 | 111.8 | N50 F51 V55 M56 L57 L102 D105 | N50-Y53 WeakPolarHBondContact O-CB 3.4Å; N50-Y53 PolarHBondContact O-N 3.38Å; F51-Y53 VanDerWaalsContact C-N 3.29Å; F51-Y53 PolarHBondContact O-N 3.49Å; Y53-V55 PolarHBondContact O-N 3.08Å; Y53-M56 PolarHBondContact O-N 3.08Å; Y53-L57 PolarHBondContact O-N 3.16Å; Y53-L102 VanDerWaalsContact OH-CD1 3.25Å; Y53-L102 WeakPolarHBondContact OH-CD1 3.23Å; Y53-D105 WeakPolarHBondContact CD2-OD2 3.26Å; Y53-D105 HydrophobicContact CE2-CB 4.14Å; Y53-D105 WeakPolarHBondContact CE2-OD2 3.28Å |
| 54 | V | 86.6 | Confident | 82.1 | Confident | 18 Ų | 18 | 23.7 Ų | 23.7 | 11% | 0.109 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | -179.5 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | N50 F51 S58 | N50-V54 WeakPolarHBondContact O-CG2 3.25Å; N50-V54 PolarHBondContact O-N 3.22Å; N50-V54 VanDerWaalsContact O-N 3.11Å; F51-V54 PolarHBondContact O-N 3.16Å; V54-S58 PolarHBondContact O-N 3.43Å; V54-S58 VanDerWaalsContact O-N 3.11Å; V54-S58 PolarHBondContact O-OG 3.16Å |
| 55 | V | 86.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.3 | -39.9 | 178.7 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | F51 S52 Y53 S58 A59 F140 Y200 L214 | F51-V55 HydrophobicContact CD1-CG2 3.69Å; F51-V55 HydrophobicContact CE1-CG2 3.49Å; F51-V55 VanDerWaalsContact CE1-CG2 3.49Å; F51-V55 HydrophobicContact CZ-CG2 4.31Å; F51-V55 WeakPolarHBondContact O-CG2 3.43Å; F51-V55 PolarHBondContact O-N 2.77Å; S52-V55 PolarHBondContact O-N 2.76Å; Y53-V55 PolarHBondContact O-N 3.08Å; V55-S58 PolarHBondContact O-N 2.84Å; V55-A59 VanDerWaalsContact O-CB 3.24Å; V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 3.39Å; V55-F140 HydrophobicContact CB-CE1 4.18Å; V55-F140 HydrophobicContact CG1-CE1 3.98Å; V55-Y200 HydrophobicContact CG1-CD2 3.77Å; V55-Y200 HydrophobicContact CG1-CE2 4.44Å; V55-Y200 HydrophobicContact CG1-CG 4.33Å; V55-L214 HydrophobicContact CG1-CD2 3.77Å |
| 56 | M | 84.6 | Confident | 78.5 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 178 | -72 | -55 | 136 | 0 | 0 | 112 | S52 Y53 S58 A59 A60 F140 V143 V156 A159 L214 | S52-M56 WeakPolarHBondContact O-CB 3Å; S52-M56 WeakPolarHBondContact O-CG 3.21Å; S52-M56 PolarHBondContact O-N 3.12Å; Y53-M56 PolarHBondContact O-N 3.08Å; M56-S58 VanDerWaalsContact C-N 3.28Å; M56-S58 PolarHBondContact O-N 3.36Å; M56-A59 PolarHBondContact O-N 3.32Å; M56-A60 WeakPolarHBondContact O-CB 3.33Å; M56-A60 PolarHBondContact O-N 2.67Å; M56-F140 HydrophobicContact CE-CD1 3.32Å; M56-F140 HydrophobicContact CE-CE1 3.6Å; M56-F140 HydrophobicContact CE-CG 4.28Å; M56-V143 HydrophobicContact CE-CB 4.35Å; M56-V143 HydrophobicContact CE-CG2 4.29Å; M56-V143 HydrophobicContact SD-CB 4.1Å; M56-V143 HydrophobicContact SD-CG1 4.19Å; M56-V143 HydrophobicContact SD-CG2 3.61Å; M56-V156 HydrophobicContact CB-CG2 4.35Å; M56-A159 HydrophobicContact CG-CB 3.82Å; M56-L214 HydrophobicContact CE-CD2 3.83Å |
| 57 | L | 75.3 | Confident | 76.6 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 30% | 0.298 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 175 | -166.9 | 70.5 | 0 | 0 | 0 | 111.8 | Y53 V101 L102 | Y53-L57 PolarHBondContact O-N 3.16Å; L57-V101 HydrophobicContact CD1-CG1 4.39Å; L57-L102 HydrophobicContact CD1-CD1 4.18Å; L57-L102 HydrophobicContact CD2-CD1 4.28Å |
| 58 | S | 71.1 | Confident | 74.6 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 32% | 0.315 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.9 | -41.7 | 177 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | V54 V55 M56 | V54-S58 PolarHBondContact O-N 3.43Å; V54-S58 VanDerWaalsContact O-N 3.11Å; V54-S58 PolarHBondContact O-OG 3.16Å; V55-S58 PolarHBondContact O-N 2.84Å; M56-S58 VanDerWaalsContact C-N 3.28Å; M56-S58 PolarHBondContact O-N 3.36Å |
| 59 | A | 69.1 | Low | 72.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -76.1 | -22.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V55 M56 H61 D62 I63 Y200 | V55-A59 VanDerWaalsContact O-CB 3.24Å; V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 3.39Å; M56-A59 PolarHBondContact O-N 3.32Å; A59-H61 VanDerWaalsContact C-N 3.27Å; A59-H61 PolarHBondContact O-N 3.31Å; A59-D62 PolarHBondContact O-N 3.38Å; A59-I63 HydrophobicContact CB-CD1 3.91Å; A59-I63 WeakPolarHBondContact O-CD1 3.39Å; A59-I63 VanDerWaalsContact O-CG1 3.25Å; A59-I63 WeakPolarHBondContact O-CG1 3.49Å; A59-I63 PolarHBondContact O-N 2.76Å; A59-Y200 HydrophobicContact CB-CE1 4.26Å; A59-Y200 HydrophobicContact CB-CE2 3.89Å |
| 60 | A | 65.5 | Low | 70.1 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.9 | -43.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M56 I63 L64 V101 | M56-A60 WeakPolarHBondContact O-CB 3.33Å; M56-A60 PolarHBondContact O-N 2.67Å; A60-I63 PolarHBondContact O-N 3.07Å; A60-L64 WeakPolarHBondContact O-CB 3.41Å; A60-L64 VanDerWaalsContact O-CG 3.22Å; A60-L64 WeakPolarHBondContact O-CG 3.39Å; A60-L64 PolarHBondContact O-N 2.96Å; A60-V101 HydrophobicContact CB-CG1 4.11Å |
| 61 | H | 60.9 | Low | 67.7 | Low | 87 Ų | 87 | 50.8 Ų | 50.8 | 40% | 0.403 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 177.8 | -79.4 | 98.4 | 0 | 0 | 0 | 113 | A59 K65 | A59-H61 VanDerWaalsContact C-N 3.27Å; A59-H61 PolarHBondContact O-N 3.31Å; H61-K65 WeakPolarHBondContact O-CB 3.39Å; H61-K65 VanDerWaalsContact O-CG 3.29Å; H61-K65 WeakPolarHBondContact O-CG 3.4Å; H61-K65 PolarHBondContact O-N 3.49Å |
| 62 | D | 64.9 | Low | 65.2 | Low | 64 Ų | 64 | 56.8 Ų | 56.8 | 34% | 0.342 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -73.5 | -37 | -179 | -69 | -23.6 | 0 | 0 | 0 | 111.4 | A59 Y66 | A59-D62 PolarHBondContact O-N 3.38Å; D62-Y66 VanDerWaalsContact O-CB 3.25Å; D62-Y66 WeakPolarHBondContact O-CB 3.43Å; D62-Y66 PolarHBondContact O-N 2.9Å |
| 63 | I | 63.3 | Low | 62.7 | Low | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 175 | -65.8 | 158.6 | 0 | 0 | 0 | 110.8 | A59 A60 K67 V143 S152 | A59-I63 HydrophobicContact CB-CD1 3.91Å; A59-I63 WeakPolarHBondContact O-CD1 3.39Å; A59-I63 VanDerWaalsContact O-CG1 3.25Å; A59-I63 WeakPolarHBondContact O-CG1 3.49Å; A59-I63 PolarHBondContact O-N 2.76Å; A60-I63 PolarHBondContact O-N 3.07Å; I63-K67 WeakPolarHBondContact O-CG 3.37Å; I63-K67 PolarHBondContact O-N 2.9Å; I63-V143 HydrophobicContact CD1-CG1 3.32Å; I63-V143 HydrophobicContact CG1-CG1 4.19Å; I63-S152 WeakPolarHBondContact CG2-OG 3.25Å |
| 64 | L | 59.2 | Low | 60.4 | Low | 66 Ų | 66 | 68.1 Ų | 68.1 | 35% | 0.346 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 179.5 | -69.8 | 171 | 0 | 0 | 0 | 111.6 | A60 K67 Q68 | A60-L64 WeakPolarHBondContact O-CB 3.41Å; A60-L64 VanDerWaalsContact O-CG 3.22Å; A60-L64 WeakPolarHBondContact O-CG 3.39Å; A60-L64 PolarHBondContact O-N 2.96Å; L64-K67 PolarHBondContact O-N 3.09Å; L64-Q68 PolarHBondContact O-N 2.9Å |
| 65 | K | 60.9 | Low | 58 | Low | 132 Ų | 132 | 75.6 Ų | 75.6 | 57% | 0.574 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.5 | -45 | 178.5 | -77.4 | 179.2 | 179.8 | 179.5 | 0 | 113.1 | H61 K67 Q68 A69 | H61-K65 WeakPolarHBondContact O-CB 3.39Å; H61-K65 VanDerWaalsContact O-CG 3.29Å; H61-K65 WeakPolarHBondContact O-CG 3.4Å; H61-K65 PolarHBondContact O-N 3.49Å; K65-K67 VanDerWaalsContact C-N 3.28Å; K65-K67 PolarHBondContact O-N 3.15Å; K65-Q68 PolarHBondContact O-N 3.37Å; K65-A69 PolarHBondContact O-N 3.29Å |
| 66 | Y | 57.3 | Low | 55.5 | Low | 167 Ų | 167 | 81.5 Ų | 81.5 | 66% | 0.655 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.8 | -40.8 | 178.7 | -176.8 | -96.8 | 0 | 0 | 0 | 111.4 | D62 A69 S70 | D62-Y66 VanDerWaalsContact O-CB 3.25Å; D62-Y66 WeakPolarHBondContact O-CB 3.43Å; D62-Y66 PolarHBondContact O-N 2.9Å; Y66-A69 PolarHBondContact O-N 2.86Å; Y66-S70 PolarHBondContact O-N 3.39Å; Y66-S70 PolarHBondContact O-OG 2.88Å |
| 67 | K | 55.9 | Low | 52.9 | Low | 41 Ų | 41 | 90.2 Ų | 90.2 | 18% | 0.178 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -78.2 | -30.5 | -179.4 | -70.9 | -179 | 178 | 170.3 | 0 | 113.7 | I63 L64 K65 A69 S70 G71 S146 S148 S152 | I63-K67 WeakPolarHBondContact O-CG 3.37Å; I63-K67 PolarHBondContact O-N 2.9Å; L64-K67 PolarHBondContact O-N 3.09Å; K65-K67 VanDerWaalsContact C-N 3.28Å; K65-K67 PolarHBondContact O-N 3.15Å; K67-A69 VanDerWaalsContact C-N 3.34Å; K67-S70 PolarHBondContact O-N 3.23Å; K67-G71 PolarHBondContact O-N 3.09Å; K67-S146 WeakPolarHBondContact CE-O 3.2Å; K67-S146 PolarHBondContact NZ-O 2.87Å; K67-S146 PolarHBondContact NZ-OG 3.32Å; K67-S148 PolarHBondContact NZ-O 3.02Å; K67-S152 PolarHBondContact NZ-OG 3.2Å |
| 68 | Q | 53.9 | Low | 51 | Low | 133 Ų | 133 | 93 Ų | 93 | 62% | 0.621 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -38.8 | 168.1 | -85.9 | 176.5 | -30.1 | 0 | 0 | 111.8 | L64 K65 G71 N72 | L64-Q68 PolarHBondContact O-N 2.9Å; K65-Q68 PolarHBondContact O-N 3.37Å; Q68-G71 PolarHBondContact O-N 3.47Å; Q68-N72 PolarHBondContact O-N 2.86Å |
| 69 | A | 52 | Low | 48.9 | Very low | 67 Ų | 67 | 95.3 Ų | 95.3 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.9 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K65 Y66 K67 | K65-A69 PolarHBondContact O-N 3.29Å; Y66-A69 PolarHBondContact O-N 2.86Å; K67-A69 VanDerWaalsContact C-N 3.34Å |
| 70 | S | 45.9 | Very low | 47.3 | Very low | 60 Ų | 60 | 101.5 Ų | 101.5 | 42% | 0.42 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -75.1 | -27.8 | 174.8 | -66.7 | 0 | 0 | 0 | 0 | 114 | Y66 K67 | Y66-S70 PolarHBondContact O-N 3.39Å; Y66-S70 PolarHBondContact O-OG 2.88Å; K67-S70 PolarHBondContact O-N 3.23Å |
| 71 | G | 42.2 | Very low | 45.6 | Very low | 51 Ų | 51 | 106.1 Ų | 106.1 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.9 | -23.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K67 Q68 Q73 | K67-G71 PolarHBondContact O-N 3.09Å; Q68-G71 PolarHBondContact O-N 3.47Å; G71-Q73 VanDerWaalsContact C-N 3.33Å; G71-Q73 PolarHBondContact O-N 2.83Å |
| 72 | N | 39.1 | Very low | 44.3 | Very low | 141 Ų | 141 | 107.6 Ų | 107.6 | 75% | 0.754 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 10.5 | 179.2 | -86.3 | 2.6 | 0 | 0 | 0 | 114.4 | Q68 S74 | Q68-N72 PolarHBondContact O-N 2.86Å; N72-S74 PolarHBondContact O-N 2.86Å |
| 73 | Q | 38 | Very low | 42.7 | Very low | 173 Ų | 173 | 111.9 Ų | 111.9 | 81% | 0.808 | 62% | 0.622 | S | S | * | * | trans | -81.6 | 15.1 | 176.4 | -75.7 | -170.8 | -10.4 | 0 | 0 | 114.7 | G71 | G71-Q73 VanDerWaalsContact C-N 3.33Å; G71-Q73 PolarHBondContact O-N 2.83Å | ||
| 74 | S | 37.5 | Very low | 41.1 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 62% | 0.622 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -120.8 | 109 | 166.1 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | N72 | N72-S74 PolarHBondContact O-N 2.86Š|
| 75 | H | 34.2 | Very low | 40.1 | Very low | 175 Ų | 175 | 120.3 Ų | 120.3 | 81% | 0.81 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 87.6 | 106.3 | 166.8 | -70.5 | -86.4 | 0 | 0 | 0 | 119.5 | ||
| 76 | V | 33.8 | Very low | 39.1 | Very low | 124 Ų | 124 | 122 Ų | 122 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | trans | 67.1 | 117.4 | 142.5 | -172.3 | 0 | 0 | 0 | 0 | 116.7 | P78 | V76-P78 VanDerWaalsContact O-CD 3.28Å; V76-P78 WeakPolarHBondContact O-CD 3.49Å | ||
| 77 | E | 31.6 | Very low | 38.2 | Very low | 183 Ų | 183 | 117.4 Ų | 117.4 | 86% | 0.855 | 68% | 0.676 | S | S | * | * | trans | -48.8 | 122.7 | 159.8 | -76.6 | -178.2 | 142.7 | 0 | 0 | 110.4 | ||||
| 78 | P | 33.8 | Very low | 37.6 | Very low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 70% | 0.699 | S | S | * | * | trans | -86.4 | 121.2 | 148.7 | 15.3 | 3.6 | 0 | 0 | 0 | 107.3 | V76 | V76-P78 VanDerWaalsContact O-CD 3.28Å; V76-P78 WeakPolarHBondContact O-CD 3.49Å | ||
| 79 | S | 27.3 | Very low | 37.2 | Very low | 94 Ų | 94 | 115.5 Ų | 115.5 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | trans | -43.8 | 155.2 | 157.9 | -49 | 0 | 0 | 0 | 0 | 110.8 | T81 | S79-T81 PolarHBondContact O-N 3.48Š| ||
| 80 | P | 36.8 | Very low | 37 | Very low | 130 Ų | 130 | 119.2 Ų | 119.2 | 84% | 0.844 | 68% | 0.682 | S | S | * | * | trans | -65.4 | 95.5 | -176.7 | 27.3 | -33 | 0 | 0 | 0 | 109.7 | ||||
| 81 | T | 28.2 | Very low | 37.4 | Very low | 111 Ų | 111 | 118 Ų | 118 | 68% | 0.681 | 67% | 0.669 | S | S | * | * | trans | -69.6 | 128.8 | 163.7 | 24.4 | 0 | 0 | 0 | 0 | 107.2 | S79 M83 | S79-T81 PolarHBondContact O-N 3.48Å; T81-M83 PolarHBondContact O-N 3.27Å | ||
| 82 | P | 34.6 | Very low | 37.8 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 77% | 0.766 | 68% | 0.684 | S | S | * | * | trans | -64.8 | 109.3 | 173.6 | 4.8 | 5.7 | 0 | 0 | 0 | 107 | T84 | P82-T84 PolarHBondContact O-N 3.46Š| ||
| 83 | M | 30.8 | Very low | 38.6 | Very low | 154 Ų | 154 | 118.8 Ų | 118.8 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | trans | -64.9 | 101.4 | 167.7 | -73.6 | -175.8 | -112 | 0 | 0 | 107.3 | T81 H85 | T81-M83 PolarHBondContact O-N 3.27Å; M83-H85 PolarHBondContact O-N 3.17Å | ||
| 84 | T | 30.8 | Very low | 39.5 | Very low | 136 Ų | 136 | 115.1 Ų | 115.1 | 83% | 0.834 | 65% | 0.651 | S | S | * | * | trans | -64.9 | 82.5 | 157.9 | 33.5 | 0 | 0 | 0 | 0 | 108 | P82 N86 | P82-T84 PolarHBondContact O-N 3.46Å; T84-N86 VanDerWaalsContact C-N 3.28Å; T84-N86 PolarHBondContact O-N 2.69Å | ||
| 85 | H | 38.5 | Very low | 39.8 | Very low | 133 Ų | 133 | 116.9 Ų | 116.9 | 62% | 0.616 | 66% | 0.663 | S | S | * | * | trans | -70.6 | 89.2 | 161.1 | -90.5 | -84.1 | 0 | 0 | 0 | 108 | M83 S87 | M83-H85 PolarHBondContact O-N 3.17Å; H85-S87 PolarHBondContact ND1-OG 3.08Å; H85-S87 PolarHBondContact O-N 3.4Å; H85-S87 VanDerWaalsContact O-N 3.12Å | ||
| 86 | N | 38.7 | Very low | 40.8 | Very low | 167 Ų | 167 | 113.3 Ų | 113.3 | 89% | 0.893 | 65% | 0.649 | S | S | * | * | trans | -78.1 | 67.5 | 149.9 | -90.9 | -1.6 | 0 | 0 | 0 | 107.6 | T84 | T84-N86 VanDerWaalsContact C-N 3.28Å; T84-N86 PolarHBondContact O-N 2.69Å | ||
| 87 | S | 39.5 | Very low | 42 | Very low | 70 Ų | 70 | 108 Ų | 108 | 49% | 0.49 | 62% | 0.617 | S | S | . | * | trans | -103.3 | 97.3 | 168.4 | -61.9 | 0 | 0 | 0 | 0 | 106 | H85 S89 | H85-S87 PolarHBondContact ND1-OG 3.08Å; H85-S87 PolarHBondContact O-N 3.4Å; H85-S87 VanDerWaalsContact O-N 3.12Å; S87-S89 PolarHBondContact O-N 3.36Å; S87-S89 VanDerWaalsContact O-N 3.13Å | ||
| 88 | S | 42 | Very low | 43.5 | Very low | 97 Ų | 97 | 99.9 Ų | 99.9 | 68% | 0.678 | 58% | 0.58 | S | S | * | * | trans | -77.4 | 27.2 | 176.3 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | P439 | S88-P439 CarbonylContact O-C 3.47Å; S88-P439 VanDerWaalsContact O-CA 3.24Å; S88-P439 WeakPolarHBondContact O-CA 3.28Å | ||
| 89 | S | 45.3 | Very low | 44.9 | Very low | 37 Ų | 37 | 94.4 Ų | 94.4 | 26% | 0.259 | 55% | 0.545 | S | S | . | . | trans | -109.5 | 140.5 | 178.1 | 67.5 | 0 | 0 | 0 | 0 | 110 | S87 F91 C436 | S87-S89 PolarHBondContact O-N 3.36Å; S87-S89 VanDerWaalsContact O-N 3.13Å; S89-F91 PolarHBondContact O-N 3.01Å; S89-C436 WeakPolarHBondContact CB-O 3.34Å | ||
| 90 | R | 48.6 | Very low | 46.8 | Very low | 145 Ų | 145 | 91.8 Ų | 91.8 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -69.3 | -10.5 | -177.8 | -171.7 | 175.8 | 176.4 | -174.4 | -1.6 | 113.9 | S367 | R90-S367 PolarHBondContact NH1-OG 3.4Å; R90-S367 VanDerWaalsContact NH1-OG 3.16Å; R90-S367 PolarHBondContact NH2-OG 3.26Å |
| 91 | F | 54.8 | Low | 48.2 | Very low | 35 Ų | 35 | 87.6 Ų | 87.6 | 15% | 0.154 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -118.8 | 133.4 | -166.7 | -56.4 | -73.1 | 0 | 0 | 0 | 112.7 | S89 C93 L306 V364 | S89-F91 PolarHBondContact O-N 3.01Å; F91-C93 PolarHBondContact O-N 3.14Å; F91-L306 HydrophobicContact CB-CD2 4.08Å; F91-L306 HydrophobicContact CD1-CB 4.15Å; F91-L306 HydrophobicContact CD1-CD2 3.78Å; F91-L306 HydrophobicContact CE1-CB 4.07Å; F91-L306 HydrophobicContact CE1-CD2 4.39Å; F91-L306 HydrophobicContact CG-CD2 3.95Å; F91-V364 HydrophobicContact CZ-CG1 4.25Å |
| 92 | D | 51.3 | Low | 50.2 | Low | 158 Ų | 158 | 82.3 Ų | 82.3 | 85% | 0.845 | 47% | 0.468 | S | S | * | . | trans | -77.7 | 94 | 171.2 | -82.3 | -32.9 | 0 | 0 | 0 | 109.6 | ||||
| 93 | C | 55.2 | Low | 52.2 | Low | 50 Ų | 50 | 77.3 Ų | 77.3 | 34% | 0.338 | 44% | 0.435 | S | S | . | . | trans | -89 | 130.2 | -177.7 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | F91 C436 | F91-C93 PolarHBondContact O-N 3.14Å; C93-C436 HydrophobicContact CB-CB 4.02Å; C93-C436 WeakPolarHBondContact CB-SG 3.34Å; C93-C436 VanDerWaalsContact SG-CA 3.58Å; C93-C436 WeakPolarHBondContact SG-CB 3.34Å; C93-C436 CovalentContact SG-SG 2.03Å; C93-C436 PolarHBondContact SG-SG 3.48Å | ||
| 94 | N | 56.5 | Low | 54.1 | Low | 97 Ų | 97 | 72.2 Ų | 72.2 | 52% | 0.519 | 42% | 0.417 | S | S | . | . | trans | -76.7 | 150.3 | 171.9 | -75.6 | -44.2 | 0 | 0 | 0 | 111.5 | I96 | N94-I96 VanDerWaalsContact C-N 3.29Å; N94-I96 PolarHBondContact O-N 3.42Å | ||
| 95 | S | 44.3 | Very low | 56.2 | Low | 125 Ų | 125 | 65.8 Ų | 65.8 | 87% | 0.874 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -72.6 | -17.1 | -178.1 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 96 | I | 54.7 | Low | 58.5 | Low | 100 Ų | 100 | 59.8 Ų | 59.8 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -127.7 | 116.5 | 170.2 | -61 | 174.9 | 0 | 0 | 0 | 106.1 | N94 A100 V101 | N94-I96 VanDerWaalsContact C-N 3.29Å; N94-I96 PolarHBondContact O-N 3.42Å; I96-A100 HydrophobicContact CG2-CB 4.46Å; I96-V101 HydrophobicContact CG2-CG2 4.44Å |
| 97 | S | 59.9 | Low | 60.9 | Low | 14 Ų | 14 | 54.8 Ų | 54.8 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | trans | -66.6 | 136.4 | 177 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | A99 A100 | S97-A99 PolarHBondContact O-N 2.92Å; S97-A99 WeakPolarHBondContact OG-CB 3.44Å; S97-A99 PolarHBondContact OG-N 3.16Å; S97-A100 WeakPolarHBondContact O-CB 3.23Å; S97-A100 PolarHBondContact O-N 3.11Å | ||
| 98 | T | 62.7 | Low | 63.4 | Low | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -52.5 | -27.9 | 173.1 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | A100 V101 L102 E305 | T98-A100 VanDerWaalsContact C-N 3.33Å; T98-A100 PolarHBondContact O-N 2.85Å; T98-V101 PolarHBondContact O-N 3.36Å; T98-L102 PolarHBondContact O-N 3.5Å; T98-L102 VanDerWaalsContact O-N 3.1Å; T98-E305 VanDerWaalsContact CB-OE1 3.29Å; T98-E305 WeakPolarHBondContact CB-OE1 3.28Å; T98-E305 PolarHBondContact OG1-OE1 3.46Å |
| 99 | A | 63.5 | Low | 65.8 | Low | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -32.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S97 L102 L103 A428 L429 | S97-A99 PolarHBondContact O-N 2.92Å; S97-A99 WeakPolarHBondContact OG-CB 3.44Å; S97-A99 PolarHBondContact OG-N 3.16Å; A99-L102 PolarHBondContact O-N 3.29Å; A99-L103 WeakPolarHBondContact O-CB 3.23Å; A99-L103 WeakPolarHBondContact O-CG 3.45Å; A99-L103 PolarHBondContact O-N 2.7Å; A99-A428 HydrophobicContact CB-CB 3.93Å; A99-L429 HydrophobicContact CB-CD2 3.98Å; A99-L429 HydrophobicContact CB-CG 4.25Å |
| 100 | A | 66.5 | Low | 68.1 | Low | 39 Ų | 39 | 47.4 Ų | 47.4 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.8 | -39.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | I96 S97 T98 L103 A104 L429 | I96-A100 HydrophobicContact CG2-CB 4.46Å; S97-A100 WeakPolarHBondContact O-CB 3.23Å; S97-A100 PolarHBondContact O-N 3.11Å; T98-A100 VanDerWaalsContact C-N 3.33Å; T98-A100 PolarHBondContact O-N 2.85Å; A100-L103 PolarHBondContact O-N 3.35Å; A100-A104 PolarHBondContact O-N 2.81Å; A100-A104 VanDerWaalsContact O-N 3.14Å; A100-L429 HydrophobicContact CB-CD2 4.12Å |
| 101 | V | 66.9 | Low | 70.2 | Confident | 41 Ų | 41 | 44.3 Ų | 44.3 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 175 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | L57 A60 I96 T98 A104 D105 | L57-V101 HydrophobicContact CD1-CG1 4.39Å; A60-V101 HydrophobicContact CB-CG1 4.11Å; I96-V101 HydrophobicContact CG2-CG2 4.44Å; T98-V101 PolarHBondContact O-N 3.36Å; V101-A104 PolarHBondContact O-N 2.81Å; V101-D105 WeakPolarHBondContact O-CB 3.35Å; V101-D105 PolarHBondContact O-N 3.03Å; V101-D105 VanDerWaalsContact O-N 3.15Å |
| 102 | L | 69.4 | Low | 72 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.6 | -167 | 95.2 | 0 | 0 | 0 | 112.5 | Y53 L57 T98 A99 A104 D105 I106 Y297 Q301 I421 | Y53-L102 VanDerWaalsContact OH-CD1 3.25Å; Y53-L102 WeakPolarHBondContact OH-CD1 3.23Å; L57-L102 HydrophobicContact CD1-CD1 4.18Å; L57-L102 HydrophobicContact CD2-CD1 4.28Å; T98-L102 PolarHBondContact O-N 3.5Å; T98-L102 VanDerWaalsContact O-N 3.1Å; A99-L102 PolarHBondContact O-N 3.29Å; L102-A104 VanDerWaalsContact C-N 3.29Å; L102-A104 PolarHBondContact O-N 3.14Å; L102-D105 CarbonylContact O-C 3.55Å; L102-D105 WeakPolarHBondContact O-CA 3.31Å; L102-D105 PolarHBondContact O-N 3.19Å; L102-I106 HydrophobicContact CD2-CG2 4.46Å; L102-I106 WeakPolarHBondContact O-CG2 3.28Å; L102-I106 PolarHBondContact O-N 3.07Å; L102-Y297 HydrophobicContact CD1-CE1 4.49Å; L102-Y297 HydrophobicContact CD2-CD1 4.13Å; L102-Q301 VanDerWaalsContact CD2-CD 3.47Å; L102-Q301 VanDerWaalsContact CG-NE2 3.27Å; L102-I421 HydrophobicContact CD2-CG2 3.38Å |
| 103 | L | 75.4 | Confident | 74.1 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.5 | -44.6 | 177.2 | -84.9 | 168.2 | 0 | 0 | 0 | 111.5 | A99 A100 D105 I106 L107 F426 L429 | A99-L103 WeakPolarHBondContact O-CB 3.23Å; A99-L103 WeakPolarHBondContact O-CG 3.45Å; A99-L103 PolarHBondContact O-N 2.7Å; A100-L103 PolarHBondContact O-N 3.35Å; L103-D105 PolarHBondContact O-N 2.54Å; L103-I106 PolarHBondContact O-N 2.98Å; L103-L107 HydrophobicContact CB-CD1 4.46Å; L103-L107 HydrophobicContact CD2-CD1 4.46Å; L103-L107 HydrophobicContact CD2-CG 4.41Å; L103-L107 VanDerWaalsContact O-CB 3.29Å; L103-L107 WeakPolarHBondContact O-CB 3.27Å; L103-L107 WeakPolarHBondContact O-CD1 3.45Å; L103-L107 WeakPolarHBondContact O-CG 3.12Å; L103-L107 PolarHBondContact O-N 3.45Å; L103-F426 HydrophobicContact CD1-CD1 4.19Å; L103-F426 HydrophobicContact CD1-CE1 4.44Å; L103-F426 HydrophobicContact CD1-CG 4.37Å; L103-F426 HydrophobicContact CD2-CD1 4.38Å; L103-F426 HydrophobicContact CD2-CD2 3.67Å; L103-F426 HydrophobicContact CD2-CE1 4.43Å; L103-F426 HydrophobicContact CD2-CE2 3.72Å; L103-F426 HydrophobicContact CD2-CG 4Å; L103-F426 HydrophobicContact CD2-CZ 4.1Å; L103-L429 HydrophobicContact CD1-CD1 3.6Å; L103-L429 HydrophobicContact CD1-CG 4.33Å |
| 104 | A | 71.4 | Confident | 75.8 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.2 | -30.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A100 V101 L102 P108 | A100-A104 PolarHBondContact O-N 2.81Å; A100-A104 VanDerWaalsContact O-N 3.14Å; V101-A104 PolarHBondContact O-N 2.81Å; L102-A104 VanDerWaalsContact C-N 3.29Å; L102-A104 PolarHBondContact O-N 3.14Å; A104-P108 VanDerWaalsContact O-CD 3.28Å; A104-P108 WeakPolarHBondContact O-CD 3.46Å |
| 105 | D | 76 | Confident | 77.4 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -89.6 | -24.5 | -178.4 | -161.6 | 26.1 | 0 | 0 | 0 | 113.6 | Y53 V101 L102 L103 V156 S160 | Y53-D105 WeakPolarHBondContact CD2-OD2 3.26Å; Y53-D105 HydrophobicContact CE2-CB 4.14Å; Y53-D105 WeakPolarHBondContact CE2-OD2 3.28Å; V101-D105 WeakPolarHBondContact O-CB 3.35Å; V101-D105 PolarHBondContact O-N 3.03Å; V101-D105 VanDerWaalsContact O-N 3.15Å; L102-D105 CarbonylContact O-C 3.55Å; L102-D105 WeakPolarHBondContact O-CA 3.31Å; L102-D105 PolarHBondContact O-N 3.19Å; L103-D105 PolarHBondContact O-N 2.54Å; D105-V156 HydrophobicContact CB-CG1 3.96Å; D105-V156 VanDerWaalsContact OD1-CG1 3.23Å; D105-V156 WeakPolarHBondContact OD1-CG1 3.45Å; D105-S160 WeakPolarHBondContact O-CB 3.26Å; D105-S160 PolarHBondContact O-OG 2.75Å |
| 106 | I | 85.9 | Confident | 79.5 | Confident | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -97.9 | -29.5 | -178.6 | -160.9 | 68.3 | 0 | 0 | 0 | 113.3 | L102 L103 T109 L110 T418 I421 | L102-I106 HydrophobicContact CD2-CG2 4.46Å; L102-I106 WeakPolarHBondContact O-CG2 3.28Å; L102-I106 PolarHBondContact O-N 3.07Å; L103-I106 PolarHBondContact O-N 2.98Å; I106-T109 WeakPolarHBondContact O-CB 3.27Å; I106-T109 PolarHBondContact O-N 3.33Å; I106-L110 PolarHBondContact O-N 2.88Å; I106-T418 HydrophobicContact CD1-CG2 3.84Å; I106-T418 HydrophobicContact CG1-CG2 3.67Å; I106-I421 HydrophobicContact CB-CG2 4.18Å; I106-I421 HydrophobicContact CD1-CB 4.37Å; I106-I421 HydrophobicContact CD1-CD1 4.08Å; I106-I421 HydrophobicContact CD1-CG2 4Å; I106-I421 HydrophobicContact CG1-CB 4.03Å; I106-I421 HydrophobicContact CG1-CG2 3.63Å; I106-I421 HydrophobicContact CG2-CG2 4.31Å |
| 107 | L | 89.3 | Confident | 80.8 | Confident | 61 Ų | 61 | 28.7 Ų | 28.7 | 32% | 0.319 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.3 | -40.9 | -177.3 | -74.3 | 173.2 | 0 | 0 | 0 | 114 | L103 T109 L110 V111 F426 | L103-L107 HydrophobicContact CB-CD1 4.46Å; L103-L107 HydrophobicContact CD2-CD1 4.46Å; L103-L107 HydrophobicContact CD2-CG 4.41Å; L103-L107 VanDerWaalsContact O-CB 3.29Å; L103-L107 WeakPolarHBondContact O-CB 3.27Å; L103-L107 WeakPolarHBondContact O-CD1 3.45Å; L103-L107 WeakPolarHBondContact O-CG 3.12Å; L103-L107 PolarHBondContact O-N 3.45Å; L107-T109 VanDerWaalsContact C-N 3.3Å; L107-T109 PolarHBondContact O-N 3.22Å; L107-L110 HydrophobicContact CD2-CD2 4.37Å; L107-L110 WeakPolarHBondContact O-CB 3.46Å; L107-L110 PolarHBondContact O-N 3.38Å; L107-L110 VanDerWaalsContact O-N 3.15Å; L107-V111 WeakPolarHBondContact O-CG2 3.48Å; L107-V111 PolarHBondContact O-N 2.9Å; L107-F426 HydrophobicContact CD1-CZ 4.34Å; L107-F426 HydrophobicContact CD2-CE2 3.98Å; L107-F426 HydrophobicContact CD2-CZ 4.31Å |
| 108 | P | 91.7 | Very high | 81.9 | Confident | 25 Ų | 25 | 34.3 Ų | 34.3 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 175.4 | -20.1 | 31.4 | 0 | 0 | 0 | 111.7 | A104 L110 V111 I112 V157 S160 I161 | A104-P108 VanDerWaalsContact O-CD 3.28Å; A104-P108 WeakPolarHBondContact O-CD 3.46Å; P108-L110 PolarHBondContact O-N 3.22Å; P108-V111 PolarHBondContact O-N 2.62Å; P108-I112 WeakPolarHBondContact O-CG1 3.42Å; P108-I112 PolarHBondContact O-N 2.92Å; P108-I112 VanDerWaalsContact O-N 3.12Å; P108-V157 HydrophobicContact CB-CG1 4.32Å; P108-V157 HydrophobicContact CG-CG1 4.07Å; P108-V157 HydrophobicContact CG-CG2 4.36Å; P108-S160 WeakPolarHBondContact CB-OG 3.25Å; P108-I161 HydrophobicContact CB-CG1 3.93Å |
| 109 | T | 92.3 | Very high | 82.7 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -44.9 | 172.8 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | I106 L107 V111 I112 K113 S160 T418 | I106-T109 WeakPolarHBondContact O-CB 3.27Å; I106-T109 PolarHBondContact O-N 3.33Å; L107-T109 VanDerWaalsContact C-N 3.3Å; L107-T109 PolarHBondContact O-N 3.22Å; T109-V111 VanDerWaalsContact C-N 3.32Å; T109-V111 PolarHBondContact O-N 3.08Å; T109-I112 PolarHBondContact O-N 3.31Å; T109-I112 VanDerWaalsContact O-N 3.16Å; T109-K113 HydrophobicContact CG2-CD 4.23Å; T109-K113 HydrophobicContact CG2-CG 4.14Å; T109-K113 WeakPolarHBondContact O-CG 3.36Å; T109-K113 PolarHBondContact O-N 3.02Å; T109-S160 PolarHBondContact N-OG 3.04Å; T109-S160 VanDerWaalsContact N-OG 3.16Å; T109-S160 PolarHBondContact OG1-O 3.39Å; T109-S160 PolarHBondContact OG1-OG 3.42Å; T109-T418 HydrophobicContact CG2-CG2 3.79Å |
| 110 | L | 93.3 | Very high | 83.6 | Confident | 21 Ų | 21 | 36.2 Ų | 36.2 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 179.3 | -176.9 | 61.7 | 0 | 0 | 0 | 111.8 | I106 L107 P108 I112 K113 L114 T418 L419 | I106-L110 PolarHBondContact O-N 2.88Å; L107-L110 HydrophobicContact CD2-CD2 4.37Å; L107-L110 WeakPolarHBondContact O-CB 3.46Å; L107-L110 PolarHBondContact O-N 3.38Å; L107-L110 VanDerWaalsContact O-N 3.15Å; P108-L110 PolarHBondContact O-N 3.22Å; L110-I112 VanDerWaalsContact C-N 3.34Å; L110-I112 PolarHBondContact O-N 2.92Å; L110-K113 PolarHBondContact O-N 3.46Å; L110-L114 HydrophobicContact CD1-CD1 4.12Å; L110-L114 HydrophobicContact CD1-CG 4.14Å; L110-L114 HydrophobicContact CD2-CD1 4.49Å; L110-L114 HydrophobicContact CG-CD1 3.88Å; L110-L114 HydrophobicContact CG-CG 4.32Å; L110-L114 WeakPolarHBondContact O-CB 3.42Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.4Å; L110-L114 PolarHBondContact O-N 3.15Å; L110-T418 HydrophobicContact CB-CG2 3.67Å; L110-T418 HydrophobicContact CD1-CG2 4.03Å; L110-T418 HydrophobicContact CG-CG2 4.45Å; L110-L419 HydrophobicContact CD1-CB 4.28Å |
| 111 | V | 93.6 | Very high | 84.1 | Confident | 79 Ų | 79 | 36.7 Ų | 36.7 | 48% | 0.479 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 177.6 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | L107 P108 T109 L114 L115 | L107-V111 WeakPolarHBondContact O-CG2 3.48Å; L107-V111 PolarHBondContact O-N 2.9Å; P108-V111 PolarHBondContact O-N 2.62Å; T109-V111 VanDerWaalsContact C-N 3.32Å; T109-V111 PolarHBondContact O-N 3.08Å; V111-L114 PolarHBondContact O-N 3.01Å; V111-L115 HydrophobicContact CG1-CD1 3.78Å; V111-L115 HydrophobicContact CG1-CG 4.4Å; V111-L115 WeakPolarHBondContact O-CB 3.28Å; V111-L115 VanDerWaalsContact O-CG 3.26Å; V111-L115 WeakPolarHBondContact O-CG 3.3Å; V111-L115 PolarHBondContact O-N 2.94Å |
| 112 | I | 92.9 | Very high | 84.7 | Confident | 43 Ų | 43 | 40.6 Ų | 40.6 | 22% | 0.221 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -48 | 177.4 | -65.8 | -65.3 | 0 | 0 | 0 | 111.3 | P108 T109 L110 L114 L115 A116 I161 L165 | P108-I112 WeakPolarHBondContact O-CG1 3.42Å; P108-I112 PolarHBondContact O-N 2.92Å; P108-I112 VanDerWaalsContact O-N 3.12Å; T109-I112 PolarHBondContact O-N 3.31Å; T109-I112 VanDerWaalsContact O-N 3.16Å; L110-I112 VanDerWaalsContact C-N 3.34Å; L110-I112 PolarHBondContact O-N 2.92Å; I112-L114 VanDerWaalsContact C-N 3.33Å; I112-L114 PolarHBondContact O-N 3.49Å; I112-L115 PolarHBondContact O-N 3.28Å; I112-A116 WeakPolarHBondContact O-CB 3.26Å; I112-A116 PolarHBondContact O-N 2.71Å; I112-I161 HydrophobicContact CD1-CG2 4.23Å; I112-I161 HydrophobicContact CG1-CG2 4.26Å; I112-L165 HydrophobicContact CG2-CB 4.29Å |
| 113 | K | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -35 | -179.5 | -63.3 | -158.2 | -174 | -172.2 | 0 | 112.6 | T109 L110 P117 E167 V168 C414 I415 D417 T418 | T109-K113 HydrophobicContact CG2-CD 4.23Å; T109-K113 HydrophobicContact CG2-CG 4.14Å; T109-K113 WeakPolarHBondContact O-CG 3.36Å; T109-K113 PolarHBondContact O-N 3.02Å; L110-K113 PolarHBondContact O-N 3.46Å; K113-P117 WeakPolarHBondContact O-CD 3.37Å; K113-E167 WeakPolarHBondContact CE-OE2 3.07Å; K113-E167 VanDerWaalsContact NZ-CD 3.26Å; K113-E167 IonicContact NZ-OE1 3.85Å; K113-E167 IonicContact NZ-OE2 2.71Å; K113-E167 PolarHBondContact NZ-OE2 3.12Å; K113-V168 HydrophobicContact CB-CG2 4.34Å; K113-V168 HydrophobicContact CD-CG2 4.34Å; K113-V168 HydrophobicContact CG-CG2 3.75Å; K113-C414 HydrophobicContact CD-CB 4.35Å; K113-C414 WeakPolarHBondContact CD-O 3.16Å; K113-C414 VanDerWaalsContact CD-SG 3.57Å; K113-C414 VanDerWaalsContact CE-SG 3.5Å; K113-C414 PolarHBondContact NZ-O 3.34Å; K113-C414 PolarHBondContact NZ-SG 3.07Å; K113-I415 HydrophobicContact CB-CG1 4.25Å; K113-I415 WeakPolarHBondContact O-CG1 3.3Å; K113-D417 VanDerWaalsContact NZ-CG 3.32Å; K113-D417 IonicContact NZ-OD1 2.74Å; K113-D417 PolarHBondContact NZ-OD1 3.15Å; K113-D417 IonicContact NZ-OD2 3.09Å; K113-D417 PolarHBondContact NZ-OD2 3.35Å; K113-D417 VanDerWaalsContact NZ-OD2 3.09Å; K113-T418 VanDerWaalsContact CD-OG1 3.29Å; K113-T418 WeakPolarHBondContact CD-OG1 3.43Å; K113-T418 WeakPolarHBondContact CE-OG1 3.44Å; K113-T418 PolarHBondContact NZ-OG1 3.15Å; K113-T418 VanDerWaalsContact NZ-OG1 3.11Å |
| 114 | L | 91.9 | Very high | 85.9 | Confident | 75 Ų | 75 | 46.3 Ų | 46.3 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.1 | -37.1 | 175.4 | -73.9 | 173 | 0 | 0 | 0 | 112.5 | L110 V111 I112 F118 I415 | L110-L114 HydrophobicContact CD1-CD1 4.12Å; L110-L114 HydrophobicContact CD1-CG 4.14Å; L110-L114 HydrophobicContact CD2-CD1 4.49Å; L110-L114 HydrophobicContact CG-CD1 3.88Å; L110-L114 HydrophobicContact CG-CG 4.32Å; L110-L114 WeakPolarHBondContact O-CB 3.42Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.4Å; L110-L114 PolarHBondContact O-N 3.15Å; V111-L114 PolarHBondContact O-N 3.01Å; I112-L114 VanDerWaalsContact C-N 3.33Å; I112-L114 PolarHBondContact O-N 3.49Å; L114-F118 VanDerWaalsContact O-CD2 3.25Å; L114-F118 WeakPolarHBondContact O-CD2 3.47Å; L114-F118 WeakPolarHBondContact O-CE2 3.4Å; L114-I415 HydrophobicContact CD2-CD1 4.25Å; L114-I415 HydrophobicContact CD2-CG1 4.43Å; L114-I415 HydrophobicContact CD2-CG2 3.69Å |
| 115 | L | 90.1 | Very high | 86.7 | Confident | 108 Ų | 108 | 44.2 Ų | 44.2 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -80.5 | -25.5 | -179.7 | -67.7 | 176.7 | 0 | 0 | 0 | 112.8 | V111 I112 F118 | V111-L115 HydrophobicContact CG1-CD1 3.78Å; V111-L115 HydrophobicContact CG1-CG 4.4Å; V111-L115 WeakPolarHBondContact O-CB 3.28Å; V111-L115 VanDerWaalsContact O-CG 3.26Å; V111-L115 WeakPolarHBondContact O-CG 3.3Å; V111-L115 PolarHBondContact O-N 2.94Å; I112-L115 PolarHBondContact O-N 3.28Å; L115-F118 PolarHBondContact O-N 2.92Å; L115-F118 VanDerWaalsContact O-N 3.09Å |
| 116 | A | 87.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.2 | -46.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I112 F118 G119 L120 V168 | I112-A116 WeakPolarHBondContact O-CB 3.26Å; I112-A116 PolarHBondContact O-N 2.71Å; A116-F118 PolarHBondContact O-N 3.09Å; A116-G119 PolarHBondContact O-N 3.4Å; A116-G119 VanDerWaalsContact O-N 3.16Å; A116-L120 HydrophobicContact CB-CB 3.93Å; A116-L120 HydrophobicContact CB-CD1 4.41Å; A116-L120 HydrophobicContact CB-CD2 4.15Å; A116-L120 HydrophobicContact CB-CG 4.4Å; A116-L120 VanDerWaalsContact O-CB 3.26Å; A116-L120 WeakPolarHBondContact O-CB 3.19Å; A116-L120 PolarHBondContact O-N 3.49Å; A116-V168 HydrophobicContact CB-CB 4.49Å; A116-V168 HydrophobicContact CB-CG1 3.66Å; A116-V168 HydrophobicContact CB-CG2 4.31Å |
| 117 | P | 83.1 | Confident | 87.6 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -12.8 | 179.9 | -22.7 | 33.4 | 0 | 0 | 0 | 114.6 | K113 R275 F408 E411 I415 | K113-P117 WeakPolarHBondContact O-CD 3.37Å; P117-R275 PolarHBondContact O-NH1 3.31Å; P117-F408 HydrophobicContact CB-CD2 4.27Å; P117-F408 HydrophobicContact CB-CE2 3.73Å; P117-E411 HydrophobicContact CG-CB 4.4Å; P117-I415 HydrophobicContact CG-CD1 4.16Å |
| 118 | F | 82.3 | Confident | 87.8 | Confident | 133 Ų | 133 | 43.6 Ų | 43.6 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -94.5 | -24 | -179.5 | -60.6 | -76.1 | 0 | 0 | 0 | 113.8 | L114 L115 A116 H121 F272 | L114-F118 VanDerWaalsContact O-CD2 3.25Å; L114-F118 WeakPolarHBondContact O-CD2 3.47Å; L114-F118 WeakPolarHBondContact O-CE2 3.4Å; L115-F118 PolarHBondContact O-N 2.92Å; L115-F118 VanDerWaalsContact O-N 3.09Å; A116-F118 PolarHBondContact O-N 3.09Å; F118-H121 PolarHBondContact O-CE1 3.45Å; F118-F272 HydrophobicContact CE1-CE2 4.27Å |
| 119 | G | 78.4 | Confident | 87.9 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -152.2 | -13.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | A116 H121 L122 | A116-G119 PolarHBondContact O-N 3.4Å; A116-G119 VanDerWaalsContact O-N 3.16Å; G119-H121 VanDerWaalsContact C-N 3.34Å; G119-H121 PolarHBondContact O-N 3.38Å; G119-L122 WeakPolarHBondContact O-CB 3.49Å; G119-L122 PolarHBondContact O-N 2.74Å |
| 120 | L | 82.8 | Confident | 88.1 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -66 | -40.3 | -177.3 | -147.9 | 83.7 | 0 | 0 | 0 | 111.1 | A116 L122 L123 R128 L165 V168 | A116-L120 HydrophobicContact CB-CB 3.93Å; A116-L120 HydrophobicContact CB-CD1 4.41Å; A116-L120 HydrophobicContact CB-CD2 4.15Å; A116-L120 HydrophobicContact CB-CG 4.4Å; A116-L120 VanDerWaalsContact O-CB 3.26Å; A116-L120 WeakPolarHBondContact O-CB 3.19Å; A116-L120 PolarHBondContact O-N 3.49Å; L120-L122 PolarHBondContact O-N 3.38Å; L120-L123 PolarHBondContact O-N 3.04Å; L120-R128 PolarHBondContact O-NE 3.23Å; L120-R128 PolarHBondContact O-NH2 3.14Å; L120-L165 HydrophobicContact CD1-CD1 3.69Å; L120-L165 HydrophobicContact CD2-CD1 4.35Å; L120-V168 HydrophobicContact CD2-CB 4.3Å; L120-V168 HydrophobicContact CD2-CG1 3.61Å |
| 121 | H | 77.9 | Confident | 88.2 | Confident | 50 Ų | 50 | 47.6 Ų | 47.6 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -49.5 | -26 | 176 | 69.4 | -70.7 | 0 | 0 | 0 | 114.6 | F118 G119 L123 R275 | F118-H121 PolarHBondContact O-CE1 3.45Å; G119-H121 VanDerWaalsContact C-N 3.34Å; G119-H121 PolarHBondContact O-N 3.38Å; H121-L123 VanDerWaalsContact C-N 3.3Å; H121-L123 PolarHBondContact O-N 2.86Å; H121-R275 PolarHBondContact NE2-NH2 3.46Å |
| 122 | L | 79.2 | Confident | 88.3 | Confident | 122 Ų | 122 | 43.9 Ų | 43.9 | 64% | 0.639 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -75.1 | -17.4 | 178.9 | -59.1 | 175.4 | 0 | 0 | 0 | 113.5 | G119 L120 | G119-L122 WeakPolarHBondContact O-CB 3.49Å; G119-L122 PolarHBondContact O-N 2.74Å; L120-L122 PolarHBondContact O-N 3.38Å |
| 123 | L | 82.3 | Confident | 88.5 | Confident | 97 Ų | 97 | 41.9 Ų | 41.9 | 51% | 0.508 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -98.5 | 134.3 | -179.1 | -65.6 | 174.1 | 0 | 0 | 0 | 110.1 | L120 H121 R128 | L120-L123 PolarHBondContact O-N 3.04Å; H121-L123 VanDerWaalsContact C-N 3.3Å; H121-L123 PolarHBondContact O-N 2.86Å; L123-R128 HydrophobicContact CB-CG 4.19Å; L123-R128 PolarHBondContact O-NE 2.92Å; L123-R128 PolarHBondContact O-NH2 2.78Å |
| 124 | P | 87.4 | Confident | 88.7 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 23% | 0.234 | 25% | 0.252 | C | S | . | . | trans | -60.9 | 158.5 | 172.2 | -22.2 | 32.7 | 0 | 0 | 0 | 112.3 | S126 P127 R128 Q252 | P124-S126 PolarHBondContact O-N 2.94Å; P124-P127 HydrophobicContact CB-CG 4.41Å; P124-P127 WeakPolarHBondContact O-CD 3.39Å; P124-R128 WeakPolarHBondContact O-CG 3.42Å; P124-Q252 HydrophobicContact CB-CB 4.15Å; P124-Q252 HydrophobicContact CG-CB 4.23Å | ||
| 125 | Y | 88.6 | Confident | 88.9 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | -177 | -77.6 | -92.5 | 0 | 0 | 0 | 113.3 | R128 V129 T169 S172 L173 F176 Y228 A249 E407 | Y125-R128 WeakPolarHBondContact O-CB 3.29Å; Y125-R128 PolarHBondContact O-N 3.28Å; Y125-R128 VanDerWaalsContact O-N 3.07Å; Y125-V129 WeakPolarHBondContact O-CG2 3.1Å; Y125-V129 PolarHBondContact O-N 3.37Å; Y125-T169 HydrophobicContact CD1-CG2 3.64Å; Y125-T169 HydrophobicContact CE1-CG2 4.18Å; Y125-T169 VanDerWaalsContact CE1-O 3.28Å; Y125-T169 WeakPolarHBondContact CE1-O 3.28Å; Y125-S172 WeakPolarHBondContact OH-CB 3.34Å; Y125-L173 HydrophobicContact CD1-CB 4.06Å; Y125-L173 HydrophobicContact CD1-CD1 3.93Å; Y125-L173 HydrophobicContact CD1-CG 4.49Å; Y125-L173 HydrophobicContact CE1-CB 3.77Å; Y125-L173 HydrophobicContact CE1-CD1 4.11Å; Y125-L173 HydrophobicContact CG-CD1 4.18Å; Y125-F176 AromaticContact CE2-CE2 3.87Å; Y125-F176 HydrophobicContact CE2-CE2 3.87Å; Y125-F176 AromaticContact CZ-CE2 3.89Å; Y125-Y228 WeakPolarHBondContact CB-OH 3.33Å; Y125-A249 WeakPolarHBondContact CD2-O 3.27Å; Y125-E407 PolarHBondContact OH-OE1 3.31Å |
| 126 | S | 90.3 | Very high | 89.2 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.1 | -48.3 | -176.7 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | P124 V129 L130 Y228 A250 | P124-S126 PolarHBondContact O-N 2.94Å; S126-V129 PolarHBondContact O-N 3.35Å; S126-L130 WeakPolarHBondContact O-CB 3.35Å; S126-L130 PolarHBondContact O-N 2.94Å; S126-Y228 PolarHBondContact N-OH 3.24Å; S126-A250 PolarHBondContact OG-O 2.95Å |
| 127 | P | 90.6 | Very high | 89.6 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 21% | 0.214 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.5 | -42.6 | 171.2 | -26.3 | 33.3 | 0 | 0 | 0 | 114.2 | P124 V129 L130 V131 | P124-P127 HydrophobicContact CB-CG 4.41Å; P124-P127 WeakPolarHBondContact O-CD 3.39Å; P127-V129 VanDerWaalsContact C-N 3.33Å; P127-V129 PolarHBondContact O-N 3.43Å; P127-L130 PolarHBondContact O-N 2.96Å; P127-V131 WeakPolarHBondContact O-CG2 3.41Å; P127-V131 PolarHBondContact O-N 3.32Å |
| 128 | R | 93 | Very high | 90.2 | Very high | 8 Ų | 8 | 42 Ų | 42 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 178.9 | -60.5 | 175.5 | -161.3 | -176.5 | 16.4 | 110.3 | L120 L123 P124 Y125 V131 T132 T169 E411 | L120-R128 PolarHBondContact O-NE 3.23Å; L120-R128 PolarHBondContact O-NH2 3.14Å; L123-R128 HydrophobicContact CB-CG 4.19Å; L123-R128 PolarHBondContact O-NE 2.92Å; L123-R128 PolarHBondContact O-NH2 2.78Å; P124-R128 WeakPolarHBondContact O-CG 3.42Å; Y125-R128 WeakPolarHBondContact O-CB 3.29Å; Y125-R128 PolarHBondContact O-N 3.28Å; Y125-R128 VanDerWaalsContact O-N 3.07Å; R128-V131 PolarHBondContact O-N 3.42Å; R128-T132 PolarHBondContact O-N 2.81Å; R128-T132 PolarHBondContact O-OG1 3.2Å; R128-T169 HydrophobicContact CB-CG2 3.81Å; R128-E411 IonicContact NH1-OE1 3.55Å |
| 129 | V | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.8 | -39.8 | 179.4 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | Y125 S126 P127 T132 G133 T169 F170 L224 L225 Y228 | Y125-V129 WeakPolarHBondContact O-CG2 3.1Å; Y125-V129 PolarHBondContact O-N 3.37Å; S126-V129 PolarHBondContact O-N 3.35Å; P127-V129 VanDerWaalsContact C-N 3.33Å; P127-V129 PolarHBondContact O-N 3.43Å; V129-T132 WeakPolarHBondContact O-CB 3.2Å; V129-T132 PolarHBondContact O-N 3.02Å; V129-G133 PolarHBondContact O-N 3.48Å; V129-T169 HydrophobicContact CG2-CG2 3.84Å; V129-F170 HydrophobicContact CB-CE1 4.46Å; V129-F170 HydrophobicContact CG1-CE1 4.13Å; V129-F170 HydrophobicContact CG1-CZ 4Å; V129-F170 HydrophobicContact CG2-CD1 4.41Å; V129-F170 HydrophobicContact CG2-CE1 3.51Å; V129-F170 HydrophobicContact CG2-CZ 3.93Å; V129-L224 HydrophobicContact CG1-CD2 4.03Å; V129-L225 HydrophobicContact CG1-CD2 4.12Å; V129-Y228 HydrophobicContact CB-CD1 4.16Å; V129-Y228 HydrophobicContact CB-CD2 4.47Å; V129-Y228 HydrophobicContact CB-CE1 4.36Å; V129-Y228 HydrophobicContact CB-CG 4.22Å; V129-Y228 HydrophobicContact CG1-CD1 3.9Å; V129-Y228 HydrophobicContact CG1-CD2 4.24Å; V129-Y228 HydrophobicContact CG1-CG 3.71Å; V129-Y228 HydrophobicContact CG2-CD1 4.31Å; V129-Y228 HydrophobicContact CG2-CD2 3.82Å; V129-Y228 HydrophobicContact CG2-CE1 4.31Å; V129-Y228 HydrophobicContact CG2-CE2 3.79Å; V129-Y228 HydrophobicContact CG2-CG 4.08Å |
| 130 | L | 95.6 | Very high | 91.5 | Very high | 77 Ų | 77 | 34.2 Ų | 34.2 | 40% | 0.403 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.7 | -175.8 | 67 | 0 | 0 | 0 | 111.3 | S126 P127 T132 G133 V134 L225 | S126-L130 WeakPolarHBondContact O-CB 3.35Å; S126-L130 PolarHBondContact O-N 2.94Å; P127-L130 PolarHBondContact O-N 2.96Å; L130-T132 VanDerWaalsContact C-N 3.35Å; L130-G133 PolarHBondContact O-N 2.97Å; L130-V134 WeakPolarHBondContact O-CG2 3.48Å; L130-V134 PolarHBondContact O-N 3.21Å; L130-L225 HydrophobicContact CD1-CD2 4.42Å |
| 131 | V | 95.8 | Very high | 92.1 | Very high | 58 Ų | 58 | 36.7 Ų | 36.7 | 35% | 0.352 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | P127 R128 G133 V134 F135 L165 | P127-V131 WeakPolarHBondContact O-CG2 3.41Å; P127-V131 PolarHBondContact O-N 3.32Å; R128-V131 PolarHBondContact O-N 3.42Å; V131-G133 PolarHBondContact O-N 3.43Å; V131-V134 PolarHBondContact O-N 3.28Å; V131-F135 HydrophobicContact CG1-CD1 4.39Å; V131-F135 HydrophobicContact CG1-CD2 4.1Å; V131-F135 HydrophobicContact CG1-CE1 4.21Å; V131-F135 HydrophobicContact CG1-CE2 3.89Å; V131-F135 HydrophobicContact CG1-CG 4.35Å; V131-F135 HydrophobicContact CG1-CZ 3.95Å; V131-F135 WeakPolarHBondContact O-CB 3.29Å; V131-F135 WeakPolarHBondContact O-CG 3.44Å; V131-F135 PolarHBondContact O-N 3Å; V131-L165 HydrophobicContact CB-CD2 3.99Å; V131-L165 HydrophobicContact CG1-CD2 3.64Å |
| 132 | T | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.2 | -50.2 | 173.3 | -68 | 0 | 0 | 0 | 0 | 111.5 | R128 V129 L130 F135 S136 S162 L165 G166 F170 L224 | R128-T132 PolarHBondContact O-N 2.81Å; R128-T132 PolarHBondContact O-OG1 3.2Å; V129-T132 WeakPolarHBondContact O-CB 3.2Å; V129-T132 PolarHBondContact O-N 3.02Å; L130-T132 VanDerWaalsContact C-N 3.35Å; T132-F135 PolarHBondContact O-N 2.86Å; T132-S136 WeakPolarHBondContact O-CB 3.29Å; T132-S136 PolarHBondContact O-N 3.39Å; T132-S162 WeakPolarHBondContact CG2-O 3.44Å; T132-S162 PolarHBondContact O-OG 3.49Å; T132-L165 WeakPolarHBondContact OG1-CG 3.15Å; T132-G166 WeakPolarHBondContact OG1-CA 3.41Å; T132-G166 PolarHBondContact OG1-N 3.32Å; T132-F170 HydrophobicContact CG2-CE2 4.5Å; T132-L224 HydrophobicContact CG2-CD1 4.17Å; T132-L224 HydrophobicContact CG2-CD2 4.32Å |
| 133 | G | 96.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V129 L130 V131 S136 A137 P221 | V129-G133 PolarHBondContact O-N 3.48Å; L130-G133 PolarHBondContact O-N 2.97Å; V131-G133 PolarHBondContact O-N 3.43Å; G133-S136 PolarHBondContact O-N 3.24Å; G133-A137 WeakPolarHBondContact O-CB 3.37Å; G133-A137 PolarHBondContact O-N 2.62Å; G133-P221 WeakPolarHBondContact O-CB 3.43Å |
| 134 | V | 97.3 | Very high | 93.6 | Very high | 83 Ų | 83 | 27.2 Ų | 27.2 | 50% | 0.503 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 177.6 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | L130 V131 A137 G138 | L130-V134 WeakPolarHBondContact O-CG2 3.48Å; L130-V134 PolarHBondContact O-N 3.21Å; V131-V134 PolarHBondContact O-N 3.28Å; V134-A137 PolarHBondContact O-N 3.25Å; V134-G138 PolarHBondContact O-N 3.13Å |
| 135 | F | 96.8 | Very high | 93.7 | Very high | 69 Ų | 69 | 30.3 Ų | 30.3 | 30% | 0.303 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.7 | -36.9 | 177.9 | -75.3 | 6.8 | 0 | 0 | 0 | 111.9 | V131 T132 G138 S139 L158 I161 | V131-F135 HydrophobicContact CG1-CD1 4.39Å; V131-F135 HydrophobicContact CG1-CD2 4.1Å; V131-F135 HydrophobicContact CG1-CE1 4.21Å; V131-F135 HydrophobicContact CG1-CE2 3.89Å; V131-F135 HydrophobicContact CG1-CG 4.35Å; V131-F135 HydrophobicContact CG1-CZ 3.95Å; V131-F135 WeakPolarHBondContact O-CB 3.29Å; V131-F135 WeakPolarHBondContact O-CG 3.44Å; V131-F135 PolarHBondContact O-N 3Å; T132-F135 PolarHBondContact O-N 2.86Å; F135-G138 PolarHBondContact O-N 3.47Å; F135-S139 WeakPolarHBondContact O-CB 3.25Å; F135-S139 PolarHBondContact O-N 2.94Å; F135-L158 HydrophobicContact CD1-CD2 4.31Å; F135-L158 HydrophobicContact CD2-CD2 4.25Å; F135-L158 HydrophobicContact CG-CD2 4.13Å; F135-I161 HydrophobicContact CD2-CB 4.16Å; F135-I161 HydrophobicContact CD2-CG2 3.6Å; F135-I161 HydrophobicContact CE2-CG2 3.7Å |
| 136 | S | 96.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -48.8 | 172.8 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | T132 G133 G138 S139 F140 S162 | T132-S136 WeakPolarHBondContact O-CB 3.29Å; T132-S136 PolarHBondContact O-N 3.39Å; G133-S136 PolarHBondContact O-N 3.24Å; S136-G138 PolarHBondContact O-N 2.94Å; S136-S139 WeakPolarHBondContact O-CB 3.37Å; S136-S139 PolarHBondContact O-N 3.4Å; S136-S139 PolarHBondContact O-OG 3.33Å; S136-F140 WeakPolarHBondContact O-CD2 3.45Å; S136-F140 PolarHBondContact O-N 3.45Å; S136-S162 WeakPolarHBondContact CB-OG 3.47Å; S136-S162 PolarHBondContact N-OG 2.65Å |
| 137 | A | 96.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G133 V134 S139 F140 I141 L218 P221 | G133-A137 WeakPolarHBondContact O-CB 3.37Å; G133-A137 PolarHBondContact O-N 2.62Å; V134-A137 PolarHBondContact O-N 3.25Å; A137-S139 VanDerWaalsContact C-N 3.28Å; A137-S139 PolarHBondContact O-N 3.32Å; A137-F140 PolarHBondContact O-N 3.31Å; A137-I141 WeakPolarHBondContact O-CG1 3.47Å; A137-I141 PolarHBondContact O-N 2.92Å; A137-I141 VanDerWaalsContact O-N 3.09Å; A137-L218 HydrophobicContact CB-CD2 3.89Å; A137-P221 HydrophobicContact CB-CB 4.11Å; A137-P221 HydrophobicContact CB-CG 3.83Å |
| 138 | G | 95.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V134 F135 S136 I141 L142 | V134-G138 PolarHBondContact O-N 3.13Å; F135-G138 PolarHBondContact O-N 3.47Å; S136-G138 PolarHBondContact O-N 2.94Å; G138-I141 PolarHBondContact O-N 2.57Å; G138-L142 VanDerWaalsContact O-CB 3.29Å; G138-L142 WeakPolarHBondContact O-CB 3.38Å; G138-L142 WeakPolarHBondContact O-CG 3.35Å; G138-L142 PolarHBondContact O-N 3.08Å |
| 139 | S | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 176.5 | 76.9 | 0 | 0 | 0 | 0 | 112.1 | F135 S136 A137 I141 L142 V143 G155 | F135-S139 WeakPolarHBondContact O-CB 3.25Å; F135-S139 PolarHBondContact O-N 2.94Å; S136-S139 WeakPolarHBondContact O-CB 3.37Å; S136-S139 PolarHBondContact O-N 3.4Å; S136-S139 PolarHBondContact O-OG 3.33Å; A137-S139 VanDerWaalsContact C-N 3.28Å; A137-S139 PolarHBondContact O-N 3.32Å; S139-I141 PolarHBondContact O-N 2.85Å; S139-L142 PolarHBondContact O-N 3.41Å; S139-V143 WeakPolarHBondContact O-CG2 3.41Å; S139-V143 PolarHBondContact O-N 3.38Å; S139-V143 VanDerWaalsContact O-N 3.08Å; S139-G155 WeakPolarHBondContact CB-O 3.49Å |
| 140 | F | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 179.4 | -69.9 | -58.1 | 0 | 0 | 0 | 112.1 | F51 V55 M56 S136 A137 A144 L214 M217 L218 | F51-F140 HydrophobicContact CD1-CZ 4.31Å; V55-F140 HydrophobicContact CB-CE1 4.18Å; V55-F140 HydrophobicContact CG1-CE1 3.98Å; M56-F140 HydrophobicContact CE-CD1 3.32Å; M56-F140 HydrophobicContact CE-CE1 3.6Å; M56-F140 HydrophobicContact CE-CG 4.28Å; S136-F140 WeakPolarHBondContact O-CD2 3.45Å; S136-F140 PolarHBondContact O-N 3.45Å; A137-F140 PolarHBondContact O-N 3.31Å; F140-A144 WeakPolarHBondContact O-CB 3.38Å; F140-A144 PolarHBondContact O-N 2.92Å; F140-L214 HydrophobicContact CD1-CD2 4.09Å; F140-L214 HydrophobicContact CE1-CD2 4.48Å; F140-M217 HydrophobicContact CD1-CB 4.05Å; F140-M217 HydrophobicContact CD2-CB 4.43Å; F140-M217 HydrophobicContact CE1-CB 3.79Å; F140-M217 HydrophobicContact CE1-CG 4.39Å; F140-M217 HydrophobicContact CE2-CB 4.16Å; F140-M217 HydrophobicContact CG-CB 4.37Å; F140-M217 HydrophobicContact CZ-CB 3.82Å; F140-L218 HydrophobicContact CB-CD2 4.17Å |
| 141 | I | 94.7 | Very high | 90.4 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -49.3 | 179.9 | -67.8 | 165.9 | 0 | 0 | 0 | 110.6 | A137 G138 S139 V143 A144 F145 L218 | A137-I141 WeakPolarHBondContact O-CG1 3.47Å; A137-I141 PolarHBondContact O-N 2.92Å; A137-I141 VanDerWaalsContact O-N 3.09Å; G138-I141 PolarHBondContact O-N 2.57Å; S139-I141 PolarHBondContact O-N 2.85Å; I141-V143 VanDerWaalsContact C-N 3.34Å; I141-V143 PolarHBondContact O-N 3.37Å; I141-A144 PolarHBondContact O-N 3.07Å; I141-F145 HydrophobicContact CG2-CD2 3.94Å; I141-F145 HydrophobicContact CG2-CE2 4.23Å; I141-F145 VanDerWaalsContact O-CD2 3.29Å; I141-F145 WeakPolarHBondContact O-CD2 3.37Å; I141-F145 PolarHBondContact O-N 3.43Å; I141-L218 HydrophobicContact CD1-CD1 4.4Å; I141-L218 HydrophobicContact CD1-CD2 4.21Å; I141-L218 HydrophobicContact CG1-CD1 4.1Å; I141-L218 HydrophobicContact CG1-CD2 4.05Å |
| 142 | L | 92.1 | Very high | 89.7 | Confident | 54 Ų | 54 | 48.8 Ų | 48.8 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | -177.9 | -79.9 | 165.1 | 0 | 0 | 0 | 111.6 | G138 S139 S146 L151 L158 | G138-L142 VanDerWaalsContact O-CB 3.29Å; G138-L142 WeakPolarHBondContact O-CB 3.38Å; G138-L142 WeakPolarHBondContact O-CG 3.35Å; G138-L142 PolarHBondContact O-N 3.08Å; S139-L142 PolarHBondContact O-N 3.41Å; L142-S146 WeakPolarHBondContact O-CA 3.07Å; L142-S146 WeakPolarHBondContact O-CB 3.43Å; L142-S146 PolarHBondContact O-N 3.18Å; L142-L151 HydrophobicContact CD2-CD1 3.55Å; L142-L151 HydrophobicContact CD2-CG 4.18Å; L142-L158 HydrophobicContact CD1-CD1 3.32Å |
| 143 | V | 89.3 | Confident | 89.1 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.5 | -41.9 | 178.3 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | M56 I63 S139 I141 F145 S146 L214 | M56-V143 HydrophobicContact CE-CB 4.35Å; M56-V143 HydrophobicContact CE-CG2 4.29Å; M56-V143 HydrophobicContact SD-CB 4.1Å; M56-V143 HydrophobicContact SD-CG1 4.19Å; M56-V143 HydrophobicContact SD-CG2 3.61Å; I63-V143 HydrophobicContact CD1-CG1 3.32Å; I63-V143 HydrophobicContact CG1-CG1 4.19Å; S139-V143 WeakPolarHBondContact O-CG2 3.41Å; S139-V143 PolarHBondContact O-N 3.38Å; S139-V143 VanDerWaalsContact O-N 3.08Å; I141-V143 VanDerWaalsContact C-N 3.34Å; I141-V143 PolarHBondContact O-N 3.37Å; V143-F145 VanDerWaalsContact C-N 3.29Å; V143-F145 PolarHBondContact O-N 3.09Å; V143-S146 WeakPolarHBondContact O-CB 3.24Å; V143-S146 PolarHBondContact O-N 3.16Å; V143-S146 VanDerWaalsContact O-N 3.1Å; V143-S146 PolarHBondContact O-OG 2.97Å; V143-L214 HydrophobicContact CB-CD1 4.06Å; V143-L214 HydrophobicContact CG1-CD1 3.55Å |
| 144 | A | 89.9 | Confident | 88.6 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F140 I141 Q211 L214 L215 | F140-A144 WeakPolarHBondContact O-CB 3.38Å; F140-A144 PolarHBondContact O-N 2.92Å; I141-A144 PolarHBondContact O-N 3.07Å; A144-Q211 HydrophobicContact CB-CG 4.24Å; A144-Q211 WeakPolarHBondContact O-CG 3.28Å; A144-L214 HydrophobicContact CB-CB 3.99Å; A144-L214 HydrophobicContact CB-CD1 4.45Å; A144-L215 HydrophobicContact CB-CD2 3.92Å; A144-L215 HydrophobicContact CB-CG 3.9Å |
| 145 | F | 89.6 | Confident | 88.3 | Confident | 100 Ų | 100 | 51.4 Ų | 51.4 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 13.2 | 178.3 | -64.1 | -72.3 | 0 | 0 | 0 | 113.5 | I141 V143 H147 L215 | I141-F145 HydrophobicContact CG2-CD2 3.94Å; I141-F145 HydrophobicContact CG2-CE2 4.23Å; I141-F145 VanDerWaalsContact O-CD2 3.29Å; I141-F145 WeakPolarHBondContact O-CD2 3.37Å; I141-F145 PolarHBondContact O-N 3.43Å; V143-F145 VanDerWaalsContact C-N 3.29Å; V143-F145 PolarHBondContact O-N 3.09Å; F145-H147 PolarHBondContact O-CD2 2.91Å; F145-H147 PolarHBondContact O-N 3.38Å; F145-L215 HydrophobicContact CE2-CD1 4.43Å; F145-L215 HydrophobicContact CE2-CD2 3.79Å; F145-L215 HydrophobicContact CZ-CD1 4.04Å; F145-L215 HydrophobicContact CZ-CD2 4.21Å |
| 146 | S | 84.6 | Confident | 87.8 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | trans | -73.6 | 113.9 | -174.2 | 63 | 0 | 0 | 0 | 0 | 112.3 | K67 L142 V143 S152 | K67-S146 WeakPolarHBondContact CE-O 3.2Å; K67-S146 PolarHBondContact NZ-O 2.87Å; K67-S146 PolarHBondContact NZ-OG 3.32Å; L142-S146 WeakPolarHBondContact O-CA 3.07Å; L142-S146 WeakPolarHBondContact O-CB 3.43Å; L142-S146 PolarHBondContact O-N 3.18Å; V143-S146 WeakPolarHBondContact O-CB 3.24Å; V143-S146 PolarHBondContact O-N 3.16Å; V143-S146 VanDerWaalsContact O-N 3.1Å; V143-S146 PolarHBondContact O-OG 2.97Å; S146-S152 WeakPolarHBondContact CB-OG 3.35Å; S146-S152 PolarHBondContact OG-OG 3.1Å | ||
| 147 | H | 80.7 | Confident | 87.6 | Confident | 174 Ų | 174 | 51.5 Ų | 51.5 | 81% | 0.806 | 27% | 0.273 | S | S | * | . | trans | -92.6 | -20.8 | 171.5 | -63.3 | -68.9 | 0 | 0 | 0 | 113.4 | F145 | F145-H147 PolarHBondContact O-CD2 2.91Å; F145-H147 PolarHBondContact O-N 3.38Å | ||
| 148 | S | 77.8 | Confident | 87.4 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -112.3 | 157.7 | 177.2 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | K67 W150 L151 S152 | K67-S148 PolarHBondContact NZ-O 3.02Å; S148-W150 VanDerWaalsContact C-N 3.32Å; S148-L151 PolarHBondContact O-N 3.29Å; S148-L151 WeakPolarHBondContact OG-CB 3.3Å; S148-L151 PolarHBondContact OG-N 2.93Å; S148-S152 PolarHBondContact O-N 3.2Å; S148-S152 PolarHBondContact O-OG 3.27Å |
| 149 | V | 75.9 | Confident | 87.3 | Confident | 71 Ų | 71 | 51.4 Ų | 51.4 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | L151 S152 L153 | V149-L151 VanDerWaalsContact C-N 3.32Å; V149-L151 PolarHBondContact O-N 3.06Å; V149-S152 WeakPolarHBondContact O-CB 3.43Å; V149-S152 PolarHBondContact O-N 3.44Å; V149-S152 VanDerWaalsContact O-N 3.15Å; V149-L153 HydrophobicContact CG1-CD1 3.93Å; V149-L153 HydrophobicContact CG1-CG 4.21Å; V149-L153 WeakPolarHBondContact O-CG 2.9Å; V149-L153 PolarHBondContact O-N 2.93Å |
| 150 | W | 79.4 | Confident | 87.2 | Confident | 203 Ų | 203 | 51.4 Ų | 51.4 | 77% | 0.769 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.8 | -44.8 | 177.1 | -66 | 109.3 | 0 | 0 | 0 | 112.6 | S148 S152 L153 S154 | S148-W150 VanDerWaalsContact C-N 3.32Å; W150-S152 PolarHBondContact O-N 2.98Å; W150-L153 PolarHBondContact O-N 3.45Å; W150-S154 PolarHBondContact O-N 3.1Å; W150-S154 PolarHBondContact O-OG 3.14Å |
| 151 | L | 84.4 | Confident | 87.2 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 179.6 | -165.2 | 63.4 | 0 | 0 | 0 | 112.2 | L142 S148 V149 G155 | L142-L151 HydrophobicContact CD2-CD1 3.55Å; L142-L151 HydrophobicContact CD2-CG 4.18Å; S148-L151 PolarHBondContact O-N 3.29Å; S148-L151 WeakPolarHBondContact OG-CB 3.3Å; S148-L151 PolarHBondContact OG-N 2.93Å; V149-L151 VanDerWaalsContact C-N 3.32Å; V149-L151 PolarHBondContact O-N 3.06Å; L151-G155 PolarHBondContact O-N 2.92Å |
| 152 | S | 82.2 | Confident | 87.3 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 172 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | I63 K67 S146 S148 V149 W150 S154 G155 V156 | I63-S152 WeakPolarHBondContact CG2-OG 3.25Å; K67-S152 PolarHBondContact NZ-OG 3.2Å; S146-S152 WeakPolarHBondContact CB-OG 3.35Å; S146-S152 PolarHBondContact OG-OG 3.1Å; S148-S152 PolarHBondContact O-N 3.2Å; S148-S152 PolarHBondContact O-OG 3.27Å; V149-S152 WeakPolarHBondContact O-CB 3.43Å; V149-S152 PolarHBondContact O-N 3.44Å; V149-S152 VanDerWaalsContact O-N 3.15Å; W150-S152 PolarHBondContact O-N 2.98Å; S152-S154 PolarHBondContact O-N 3.06Å; S152-G155 PolarHBondContact O-N 3.16Å; S152-G155 VanDerWaalsContact O-N 3.13Å; S152-V156 WeakPolarHBondContact O-CG2 3.12Å; S152-V156 PolarHBondContact O-N 3.24Å; S152-V156 VanDerWaalsContact O-N 3.07Å |
| 153 | L | 82.3 | Confident | 87.4 | Confident | 79 Ų | 79 | 47.6 Ų | 47.6 | 41% | 0.414 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 178.5 | -70.1 | 175.2 | 0 | 0 | 0 | 112 | V149 W150 G155 V156 V157 | V149-L153 HydrophobicContact CG1-CD1 3.93Å; V149-L153 HydrophobicContact CG1-CG 4.21Å; V149-L153 WeakPolarHBondContact O-CG 2.9Å; V149-L153 PolarHBondContact O-N 2.93Å; W150-L153 PolarHBondContact O-N 3.45Å; L153-G155 VanDerWaalsContact C-N 3.26Å; L153-G155 PolarHBondContact O-N 3.02Å; L153-V156 WeakPolarHBondContact O-CB 3.28Å; L153-V156 PolarHBondContact O-N 3.26Å; L153-V157 WeakPolarHBondContact O-CG2 3.31Å; L153-V157 PolarHBondContact O-N 3.25Å |
| 154 | S | 87.4 | Confident | 87.6 | Confident | 61 Ų | 61 | 47.3 Ų | 47.3 | 43% | 0.427 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.7 | -38.4 | 172.8 | -60.7 | 0 | 0 | 0 | 0 | 112 | W150 S152 V157 L158 | W150-S154 PolarHBondContact O-N 3.1Å; W150-S154 PolarHBondContact O-OG 3.14Å; S152-S154 PolarHBondContact O-N 3.06Å; S154-V157 PolarHBondContact O-N 3.11Å; S154-L158 WeakPolarHBondContact O-CG 3.42Å; S154-L158 PolarHBondContact O-N 3.33Å |
| 155 | G | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S139 L151 S152 L153 V157 L158 A159 | S139-G155 WeakPolarHBondContact CB-O 3.49Å; L151-G155 PolarHBondContact O-N 2.92Å; S152-G155 PolarHBondContact O-N 3.16Å; S152-G155 VanDerWaalsContact O-N 3.13Å; L153-G155 VanDerWaalsContact C-N 3.26Å; L153-G155 PolarHBondContact O-N 3.02Å; G155-V157 PolarHBondContact O-N 3.25Å; G155-L158 PolarHBondContact O-N 3.27Å; G155-A159 PolarHBondContact O-N 3.45Å |
| 156 | V | 87.5 | Confident | 88.2 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 174 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | M56 D105 S152 L153 L158 A159 S160 | M56-V156 HydrophobicContact CB-CG2 4.35Å; D105-V156 HydrophobicContact CB-CG1 3.96Å; D105-V156 VanDerWaalsContact OD1-CG1 3.23Å; D105-V156 WeakPolarHBondContact OD1-CG1 3.45Å; S152-V156 WeakPolarHBondContact O-CG2 3.12Å; S152-V156 PolarHBondContact O-N 3.24Å; S152-V156 VanDerWaalsContact O-N 3.07Å; L153-V156 WeakPolarHBondContact O-CB 3.28Å; L153-V156 PolarHBondContact O-N 3.26Å; V156-L158 VanDerWaalsContact C-N 3.31Å; V156-L158 PolarHBondContact O-N 2.93Å; V156-A159 WeakPolarHBondContact O-CB 3.42Å; V156-A159 PolarHBondContact O-N 3.09Å; V156-A159 VanDerWaalsContact O-N 3.09Å; V156-S160 PolarHBondContact O-N 3.32Å |
| 157 | V | 90.3 | Very high | 88.7 | Confident | 56 Ų | 56 | 42.8 Ų | 42.8 | 34% | 0.339 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.8 | -39.8 | 177 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | P108 L153 S154 G155 S160 I161 | P108-V157 HydrophobicContact CB-CG1 4.32Å; P108-V157 HydrophobicContact CG-CG1 4.07Å; P108-V157 HydrophobicContact CG-CG2 4.36Å; L153-V157 WeakPolarHBondContact O-CG2 3.31Å; L153-V157 PolarHBondContact O-N 3.25Å; S154-V157 PolarHBondContact O-N 3.11Å; G155-V157 PolarHBondContact O-N 3.25Å; V157-S160 WeakPolarHBondContact O-CB 3.41Å; V157-S160 PolarHBondContact O-N 2.95Å; V157-I161 HydrophobicContact CG1-CD1 3.84Å; V157-I161 HydrophobicContact CG1-CG1 4.37Å; V157-I161 VanDerWaalsContact O-CG1 3.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.34Å; V157-I161 PolarHBondContact O-N 3.31Å |
| 158 | L | 93.6 | Very high | 89.3 | Confident | 39 Ų | 39 | 34.5 Ų | 34.5 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.3 | -37.8 | 174.9 | -73.8 | 177.4 | 0 | 0 | 0 | 112.9 | F135 L142 S154 G155 V156 S160 I161 S162 | F135-L158 HydrophobicContact CD1-CD2 4.31Å; F135-L158 HydrophobicContact CD2-CD2 4.25Å; F135-L158 HydrophobicContact CG-CD2 4.13Å; L142-L158 HydrophobicContact CD1-CD1 3.32Å; S154-L158 WeakPolarHBondContact O-CG 3.42Å; S154-L158 PolarHBondContact O-N 3.33Å; G155-L158 PolarHBondContact O-N 3.27Å; V156-L158 VanDerWaalsContact C-N 3.31Å; V156-L158 PolarHBondContact O-N 2.93Å; L158-S160 VanDerWaalsContact C-N 3.3Å; L158-I161 PolarHBondContact O-N 3.05Å; L158-S162 VanDerWaalsContact O-CB 3.27Å; L158-S162 WeakPolarHBondContact O-CB 3.32Å; L158-S162 PolarHBondContact O-N 3.24Å |
| 159 | A | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | M56 G155 V156 S162 S163 | M56-A159 HydrophobicContact CG-CB 3.82Å; G155-A159 PolarHBondContact O-N 3.45Å; V156-A159 WeakPolarHBondContact O-CB 3.42Å; V156-A159 PolarHBondContact O-N 3.09Å; V156-A159 VanDerWaalsContact O-N 3.09Å; A159-S162 PolarHBondContact O-N 3.07Å; A159-S163 WeakPolarHBondContact O-CB 3.44Å; A159-S163 PolarHBondContact O-N 3.02Å |
| 160 | S | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.5 | -51.8 | 174.4 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | D105 P108 T109 V156 V157 L158 S162 S163 G164 | D105-S160 WeakPolarHBondContact O-CB 3.26Å; D105-S160 PolarHBondContact O-OG 2.75Å; P108-S160 WeakPolarHBondContact CB-OG 3.25Å; T109-S160 PolarHBondContact N-OG 3.04Å; T109-S160 VanDerWaalsContact N-OG 3.16Å; T109-S160 PolarHBondContact OG1-O 3.39Å; T109-S160 PolarHBondContact OG1-OG 3.42Å; V156-S160 PolarHBondContact O-N 3.32Å; V157-S160 WeakPolarHBondContact O-CB 3.41Å; V157-S160 PolarHBondContact O-N 2.95Å; L158-S160 VanDerWaalsContact C-N 3.3Å; S160-S162 VanDerWaalsContact C-N 3.28Å; S160-S162 PolarHBondContact O-N 3.09Å; S160-S163 PolarHBondContact O-N 3.24Å; S160-G164 PolarHBondContact O-N 3.19Å |
| 161 | I | 93.9 | Very high | 91.6 | Very high | 39 Ų | 39 | 18.9 Ų | 18.9 | 20% | 0.2 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 179.4 | -64 | 165.1 | 0 | 0 | 0 | 110.6 | P108 I112 F135 V157 L158 L165 | P108-I161 HydrophobicContact CB-CG1 3.93Å; I112-I161 HydrophobicContact CD1-CG2 4.23Å; I112-I161 HydrophobicContact CG1-CG2 4.26Å; F135-I161 HydrophobicContact CD2-CB 4.16Å; F135-I161 HydrophobicContact CD2-CG2 3.6Å; F135-I161 HydrophobicContact CE2-CG2 3.7Å; V157-I161 HydrophobicContact CG1-CD1 3.84Å; V157-I161 HydrophobicContact CG1-CG1 4.37Å; V157-I161 VanDerWaalsContact O-CG1 3.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.34Å; V157-I161 PolarHBondContact O-N 3.31Å; L158-I161 PolarHBondContact O-N 3.05Å; I161-L165 WeakPolarHBondContact O-CB 3.45Å; I161-L165 PolarHBondContact O-N 2.94Å |
| 162 | S | 95.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.007 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.8 | -52.6 | 175.7 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | T132 S136 L158 A159 S160 G164 L165 G166 | T132-S162 WeakPolarHBondContact CG2-O 3.44Å; T132-S162 PolarHBondContact O-OG 3.49Å; S136-S162 WeakPolarHBondContact CB-OG 3.47Å; S136-S162 PolarHBondContact N-OG 2.65Å; L158-S162 VanDerWaalsContact O-CB 3.27Å; L158-S162 WeakPolarHBondContact O-CB 3.32Å; L158-S162 PolarHBondContact O-N 3.24Å; A159-S162 PolarHBondContact O-N 3.07Å; S160-S162 VanDerWaalsContact C-N 3.28Å; S160-S162 PolarHBondContact O-N 3.09Å; S162-G164 PolarHBondContact O-N 2.73Å; S162-L165 PolarHBondContact O-N 3.27Å; S162-G166 PolarHBondContact O-N 2.91Å |
| 163 | S | 94.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 15.7 Ų | 15.7 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | -179.9 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | N49 N50 A159 S160 E167 | N49-S163 PolarHBondContact ND2-O 2.95Å; N50-S163 PolarHBondContact OD1-OG 2.87Å; A159-S163 WeakPolarHBondContact O-CB 3.44Å; A159-S163 PolarHBondContact O-N 3.02Å; S160-S163 PolarHBondContact O-N 3.24Å; S163-E167 VanDerWaalsContact O-CB 3.25Å; S163-E167 WeakPolarHBondContact O-CB 3.32Å; S163-E167 PolarHBondContact O-N 2.73Å |
| 164 | G | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67 | -46.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S160 S162 V168 | S160-G164 PolarHBondContact O-N 3.19Å; S162-G164 PolarHBondContact O-N 2.73Å; G164-V168 WeakPolarHBondContact O-CG2 3.44Å; G164-V168 PolarHBondContact O-N 3.21Å |
| 165 | L | 95 | Very high | 92.8 | Very high | 18 Ų | 18 | 9.5 Ų | 9.5 | 9% | 0.094 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 177.8 | 177.7 | 62.4 | 0 | 0 | 0 | 111.2 | I112 L120 V131 T132 I161 S162 T169 | I112-L165 HydrophobicContact CG2-CB 4.29Å; L120-L165 HydrophobicContact CD1-CD1 3.69Å; L120-L165 HydrophobicContact CD2-CD1 4.35Å; V131-L165 HydrophobicContact CB-CD2 3.99Å; V131-L165 HydrophobicContact CG1-CD2 3.64Å; T132-L165 WeakPolarHBondContact OG1-CG 3.15Å; I161-L165 WeakPolarHBondContact O-CB 3.45Å; I161-L165 PolarHBondContact O-N 2.94Å; S162-L165 PolarHBondContact O-N 3.27Å; L165-T169 VanDerWaalsContact O-CB 3.26Å; L165-T169 WeakPolarHBondContact O-CB 3.41Å; L165-T169 PolarHBondContact O-N 3.47Å; L165-T169 PolarHBondContact O-OG1 2.98Å |
| 166 | G | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.8 | -41.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N49 T132 S162 V168 T169 F170 | N49-G166 VanDerWaalsContact OD1-C 3.3Å; N49-G166 WeakPolarHBondContact OD1-CA 3.49Å; T132-G166 WeakPolarHBondContact OG1-CA 3.41Å; T132-G166 PolarHBondContact OG1-N 3.32Å; S162-G166 PolarHBondContact O-N 2.91Å; G166-V168 PolarHBondContact O-N 2.92Å; G166-T169 PolarHBondContact O-N 2.81Å; G166-F170 VanDerWaalsContact C-CD2 3.47Å; G166-F170 WeakPolarHBondContact O-CB 3.15Å; G166-F170 WeakPolarHBondContact O-CD2 3.31Å; G166-F170 VanDerWaalsContact O-CG 3.3Å; G166-F170 WeakPolarHBondContact O-CG 3.5Å; G166-F170 PolarHBondContact O-N 3.31Å |
| 167 | E | 94.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 12 Ų | 12 | 5% | 0.051 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 178.8 | -178.8 | 164.8 | -153.6 | 0 | 0 | 112.2 | N49 K113 S163 L171 W185 Y390 | N49-E167 PolarHBondContact ND2-N 3.25Å; N49-E167 PolarHBondContact OD1-N 3.3Å; K113-E167 WeakPolarHBondContact CE-OE2 3.07Å; K113-E167 VanDerWaalsContact NZ-CD 3.26Å; K113-E167 IonicContact NZ-OE1 3.85Å; K113-E167 IonicContact NZ-OE2 2.71Å; K113-E167 PolarHBondContact NZ-OE2 3.12Å; S163-E167 VanDerWaalsContact O-CB 3.25Å; S163-E167 WeakPolarHBondContact O-CB 3.32Å; S163-E167 PolarHBondContact O-N 2.73Å; E167-L171 HydrophobicContact CG-CD1 3.7Å; E167-L171 HydrophobicContact CG-CG 4.42Å; E167-L171 VanDerWaalsContact O-CB 3.28Å; E167-L171 WeakPolarHBondContact O-CB 3.26Å; E167-L171 WeakPolarHBondContact O-CG 3.44Å; E167-L171 PolarHBondContact O-N 3.33Å; E167-W185 HydrophobicContact CB-CZ2 4.37Å; E167-W185 HydrophobicContact CG-CZ2 4.14Å; E167-Y390 WeakPolarHBondContact OE1-CE2 3.33Å; E167-Y390 PolarHBondContact OE1-OH 3.42Å |
| 168 | V | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.7 | -51.1 | 173.7 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | K113 A116 L120 G164 G166 F170 L171 S172 E411 | K113-V168 HydrophobicContact CB-CG2 4.34Å; K113-V168 HydrophobicContact CD-CG2 4.34Å; K113-V168 HydrophobicContact CG-CG2 3.75Å; A116-V168 HydrophobicContact CB-CB 4.49Å; A116-V168 HydrophobicContact CB-CG1 3.66Å; A116-V168 HydrophobicContact CB-CG2 4.31Å; L120-V168 HydrophobicContact CD2-CB 4.3Å; L120-V168 HydrophobicContact CD2-CG1 3.61Å; G164-V168 WeakPolarHBondContact O-CG2 3.44Å; G164-V168 PolarHBondContact O-N 3.21Å; G166-V168 PolarHBondContact O-N 2.92Å; V168-F170 PolarHBondContact O-N 2.87Å; V168-L171 PolarHBondContact O-N 3.34Å; V168-S172 WeakPolarHBondContact O-CB 3.41Å; V168-S172 PolarHBondContact O-N 3.44Å; V168-S172 PolarHBondContact O-OG 3.05Å; V168-E411 HydrophobicContact CG1-CB 4.31Å; V168-E411 HydrophobicContact CG1-CG 3.82Å |
| 169 | T | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | -177.8 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | Y125 R128 V129 L165 G166 L173 | Y125-T169 HydrophobicContact CD1-CG2 3.64Å; Y125-T169 HydrophobicContact CE1-CG2 4.18Å; Y125-T169 VanDerWaalsContact CE1-O 3.28Å; Y125-T169 WeakPolarHBondContact CE1-O 3.28Å; R128-T169 HydrophobicContact CB-CG2 3.81Å; V129-T169 HydrophobicContact CG2-CG2 3.84Å; L165-T169 VanDerWaalsContact O-CB 3.26Å; L165-T169 WeakPolarHBondContact O-CB 3.41Å; L165-T169 PolarHBondContact O-N 3.47Å; L165-T169 PolarHBondContact O-OG1 2.98Å; G166-T169 PolarHBondContact O-N 2.81Å; T169-L173 WeakPolarHBondContact O-CB 3.12Å; T169-L173 PolarHBondContact O-N 2.77Å |
| 170 | F | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -76.1 | -34 | -174.9 | -61.8 | -53 | 0 | 0 | 0 | 112.3 | L45 N49 V129 T132 G166 V168 L173 T174 W185 L224 Y228 | L45-F170 HydrophobicContact CB-CD1 4.5Å; L45-F170 HydrophobicContact CB-CG 4.48Å; L45-F170 HydrophobicContact CD1-CD1 3.65Å; L45-F170 HydrophobicContact CD1-CE1 3.72Å; L45-F170 HydrophobicContact CD1-CG 4.34Å; L45-F170 HydrophobicContact CD1-CZ 4.48Å; L45-F170 HydrophobicContact CD2-CD1 4.36Å; L45-F170 HydrophobicContact CD2-CE1 3.68Å; L45-F170 HydrophobicContact CD2-CE2 4.35Å; L45-F170 HydrophobicContact CD2-CZ 3.69Å; L45-F170 HydrophobicContact CG-CD1 4.4Å; L45-F170 HydrophobicContact CG-CE1 4.19Å; L45-F170 HydrophobicContact CG-CZ 4.49Å; N49-F170 HydrophobicContact CB-CD2 4.46Å; N49-F170 HydrophobicContact CB-CE2 4.43Å; V129-F170 HydrophobicContact CB-CE1 4.46Å; V129-F170 HydrophobicContact CG1-CE1 4.13Å; V129-F170 HydrophobicContact CG1-CZ 4Å; V129-F170 HydrophobicContact CG2-CD1 4.41Å; V129-F170 HydrophobicContact CG2-CE1 3.51Å; V129-F170 HydrophobicContact CG2-CZ 3.93Å; T132-F170 HydrophobicContact CG2-CE2 4.5Å; G166-F170 VanDerWaalsContact C-CD2 3.47Å; G166-F170 WeakPolarHBondContact O-CB 3.15Å; G166-F170 WeakPolarHBondContact O-CD2 3.31Å; G166-F170 VanDerWaalsContact O-CG 3.3Å; G166-F170 WeakPolarHBondContact O-CG 3.5Å; G166-F170 PolarHBondContact O-N 3.31Å; V168-F170 PolarHBondContact O-N 2.87Å; F170-L173 HydrophobicContact CD1-CD2 4.5Å; F170-L173 WeakPolarHBondContact O-CB 3.38Å; F170-L173 PolarHBondContact O-N 2.88Å; F170-T174 WeakPolarHBondContact O-CG2 3.26Å; F170-T174 PolarHBondContact O-N 2.68Å; F170-T174 VanDerWaalsContact O-N 3.08Å; F170-W185 HydrophobicContact CB-CD2 4.33Å; F170-W185 HydrophobicContact CB-CE3 3.72Å; F170-W185 HydrophobicContact CB-CH2 3.54Å; F170-W185 HydrophobicContact CB-CZ2 4.14Å; F170-W185 HydrophobicContact CB-CZ3 3.26Å; F170-W185 AromaticContact CD2-CH2 3.46Å; F170-W185 HydrophobicContact CD2-CH2 3.46Å; F170-W185 VanDerWaalsContact CD2-CH2 3.46Å; F170-W185 AromaticContact CD2-CZ3 3.4Å; F170-W185 HydrophobicContact CD2-CZ3 3.4Å; F170-W185 HydrophobicContact CE2-CZ3 4.41Å; F170-W185 HydrophobicContact CG-CE3 4.35Å; F170-W185 AromaticContact CG-CH2 3.9Å; F170-W185 HydrophobicContact CG-CH2 3.9Å; F170-W185 AromaticContact CG-CZ3 3.55Å; F170-W185 HydrophobicContact CG-CZ3 3.55Å; F170-L224 HydrophobicContact CE2-CD1 4.24Å; F170-L224 HydrophobicContact CE2-CG 4.5Å; F170-L224 HydrophobicContact CZ-CD1 4.47Å; F170-L224 HydrophobicContact CZ-CD2 4.07Å; F170-L224 HydrophobicContact CZ-CG 4.27Å; F170-Y228 HydrophobicContact CE1-CD2 4.23Å |
| 171 | L | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 171.4 | -77.2 | 169.2 | 0 | 0 | 0 | 111.5 | E167 V168 L173 T174 Y394 C414 | E167-L171 HydrophobicContact CG-CD1 3.7Å; E167-L171 HydrophobicContact CG-CG 4.42Å; E167-L171 VanDerWaalsContact O-CB 3.28Å; E167-L171 WeakPolarHBondContact O-CB 3.26Å; E167-L171 WeakPolarHBondContact O-CG 3.44Å; E167-L171 PolarHBondContact O-N 3.33Å; V168-L171 PolarHBondContact O-N 3.34Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 PolarHBondContact O-N 3.39Å; L171-T174 WeakPolarHBondContact O-CB 3.19Å; L171-T174 PolarHBondContact O-N 3.11Å; L171-T174 VanDerWaalsContact O-N 3.13Å; L171-T174 PolarHBondContact O-OG1 3.22Å; L171-Y394 HydrophobicContact CD1-CD1 4.22Å; L171-Y394 HydrophobicContact CD1-CE1 3.54Å; L171-Y394 HydrophobicContact CD1-CE2 4.35Å; L171-Y394 HydrophobicContact CD2-CD1 3.89Å; L171-Y394 HydrophobicContact CD2-CD2 4.46Å; L171-Y394 HydrophobicContact CD2-CE1 4.08Å; L171-Y394 HydrophobicContact CD2-CG 4.08Å; L171-Y394 HydrophobicContact CG-CE1 4.37Å; L171-C414 HydrophobicContact CD1-CB 4.27Å |
| 172 | S | 91 | Very high | 92 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.6 | -43 | 171.7 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | Y125 V168 T174 A175 E411 | Y125-S172 WeakPolarHBondContact OH-CB 3.34Å; V168-S172 WeakPolarHBondContact O-CB 3.41Å; V168-S172 PolarHBondContact O-N 3.44Å; V168-S172 PolarHBondContact O-OG 3.05Å; S172-T174 PolarHBondContact O-N 2.82Å; S172-A175 WeakPolarHBondContact O-CB 3.28Å; S172-A175 PolarHBondContact O-N 2.79Å; S172-E411 VanDerWaalsContact OG-CD 3.28Å; S172-E411 WeakPolarHBondContact OG-CG 3.49Å; S172-E411 PolarHBondContact OG-OE1 3.11Å |
| 173 | L | 90.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.6 | -33.6 | 178.5 | -172.9 | 66.2 | 0 | 0 | 0 | 111.9 | F42 Y125 T169 F170 L171 A175 F176 Y177 Y228 L232 | F42-L173 HydrophobicContact CE1-CD2 4.29Å; F42-L173 HydrophobicContact CE1-CG 4.47Å; F42-L173 HydrophobicContact CZ-CD2 4.15Å; F42-L173 HydrophobicContact CZ-CG 4.15Å; Y125-L173 HydrophobicContact CD1-CB 4.06Å; Y125-L173 HydrophobicContact CD1-CD1 3.93Å; Y125-L173 HydrophobicContact CD1-CG 4.49Å; Y125-L173 HydrophobicContact CE1-CB 3.77Å; Y125-L173 HydrophobicContact CE1-CD1 4.11Å; Y125-L173 HydrophobicContact CG-CD1 4.18Å; T169-L173 WeakPolarHBondContact O-CB 3.12Å; T169-L173 PolarHBondContact O-N 2.77Å; F170-L173 HydrophobicContact CD1-CD2 4.5Å; F170-L173 WeakPolarHBondContact O-CB 3.38Å; F170-L173 PolarHBondContact O-N 2.88Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 PolarHBondContact O-N 3.39Å; L173-A175 PolarHBondContact O-N 3.5Å; L173-A175 VanDerWaalsContact O-N 3.09Å; L173-F176 HydrophobicContact CD1-CD2 4.42Å; L173-F176 PolarHBondContact O-N 3.29Å; L173-Y177 HydrophobicContact CD1-CE2 4.11Å; L173-Y177 HydrophobicContact CG-CD2 4.44Å; L173-Y177 HydrophobicContact CG-CE2 3.96Å; L173-Y177 WeakPolarHBondContact O-CD2 3.21Å; L173-Y228 HydrophobicContact CD2-CD2 4.21Å; L173-Y228 HydrophobicContact CD2-CE2 3.81Å; L173-L232 HydrophobicContact CD2-CD1 4.48Å |
| 174 | T | 90.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.3 | -20.4 | 175.4 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | F42 F170 L171 S172 F176 Y177 I182 | F42-T174 HydrophobicContact CD1-CG2 4.01Å; F42-T174 HydrophobicContact CE1-CG2 3.59Å; F42-T174 HydrophobicContact CZ-CG2 4.16Å; F170-T174 WeakPolarHBondContact O-CG2 3.26Å; F170-T174 PolarHBondContact O-N 2.68Å; F170-T174 VanDerWaalsContact O-N 3.08Å; L171-T174 WeakPolarHBondContact O-CB 3.19Å; L171-T174 PolarHBondContact O-N 3.11Å; L171-T174 VanDerWaalsContact O-N 3.13Å; L171-T174 PolarHBondContact O-OG1 3.22Å; S172-T174 PolarHBondContact O-N 2.82Å; T174-F176 PolarHBondContact O-N 2.79Å; T174-F176 VanDerWaalsContact O-N 3.15Å; T174-Y177 PolarHBondContact O-N 3.42Å; T174-Y177 VanDerWaalsContact O-N 3.09Å; T174-Y177 VanDerWaalsContact O-O 3.09Å; T174-I182 HydrophobicContact CG2-CG1 4.09Å |
| 175 | A | 88.6 | Confident | 92 | Very high | 7 Ų | 7 | 16.5 Ų | 16.5 | 6% | 0.058 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S172 L173 R406 E407 | S172-A175 WeakPolarHBondContact O-CB 3.28Å; S172-A175 PolarHBondContact O-N 2.79Å; L173-A175 PolarHBondContact O-N 3.5Å; L173-A175 VanDerWaalsContact O-N 3.09Å; A175-R406 HydrophobicContact CB-CB 4.1Å; A175-R406 HydrophobicContact CB-CG 3.73Å; A175-R406 PolarHBondContact O-NE 2.87Å; A175-R406 PolarHBondContact O-NH2 3.31Å; A175-E407 HydrophobicContact CB-CB 4.2Å |
| 176 | F | 87.8 | Confident | 92 | Very high | 57 Ų | 57 | 15.7 Ų | 15.7 | 25% | 0.25 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -0.9 | 176.5 | -57.4 | -78.4 | 0 | 0 | 0 | 113.4 | Y125 L173 T174 P235 W268 | Y125-F176 AromaticContact CE2-CE2 3.87Å; Y125-F176 HydrophobicContact CE2-CE2 3.87Å; Y125-F176 AromaticContact CZ-CE2 3.89Å; L173-F176 HydrophobicContact CD1-CD2 4.42Å; L173-F176 PolarHBondContact O-N 3.29Å; T174-F176 PolarHBondContact O-N 2.79Å; T174-F176 VanDerWaalsContact O-N 3.15Å; F176-P235 HydrophobicContact CB-CG 4.23Å; F176-P235 WeakPolarHBondContact O-CB 3.46Å; F176-W268 HydrophobicContact CZ-CH2 4.45Å |
| 177 | Y | 88.3 | Confident | 92 | Very high | 14 Ų | 14 | 16.2 Ų | 16.2 | 6% | 0.055 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -119.1 | 163.2 | -177.8 | -71.5 | -99.3 | 0 | 0 | 0 | 110.8 | N38 F42 L173 T174 S179 M181 L232 T233 | N38-Y177 HydrophobicContact CB-CD1 4.27Å; N38-Y177 HydrophobicContact CB-CE1 4.27Å; F42-Y177 AromaticContact CE2-CD1 3.84Å; F42-Y177 HydrophobicContact CE2-CD1 3.84Å; F42-Y177 AromaticContact CE2-CD2 3.77Å; F42-Y177 HydrophobicContact CE2-CD2 3.77Å; F42-Y177 HydrophobicContact CE2-CE1 4.15Å; F42-Y177 HydrophobicContact CE2-CE2 4.1Å; F42-Y177 AromaticContact CE2-CG 3.63Å; F42-Y177 HydrophobicContact CE2-CG 3.63Å; F42-Y177 AromaticContact CZ-CD2 3.66Å; F42-Y177 HydrophobicContact CZ-CD2 3.66Å; F42-Y177 AromaticContact CZ-CE2 3.97Å; F42-Y177 HydrophobicContact CZ-CE2 3.97Å; F42-Y177 AromaticContact CZ-CG 3.98Å; F42-Y177 HydrophobicContact CZ-CG 3.98Å; L173-Y177 HydrophobicContact CD1-CE2 4.11Å; L173-Y177 HydrophobicContact CG-CD2 4.44Å; L173-Y177 HydrophobicContact CG-CE2 3.96Å; L173-Y177 WeakPolarHBondContact O-CD2 3.21Å; T174-Y177 PolarHBondContact O-N 3.42Å; T174-Y177 VanDerWaalsContact O-N 3.09Å; T174-Y177 VanDerWaalsContact O-O 3.09Å; Y177-S179 PolarHBondContact O-N 3.13Å; Y177-M181 HydrophobicContact CD1-CG 4.47Å; Y177-M181 HydrophobicContact CG-CG 4.41Å; Y177-L232 HydrophobicContact CE1-CD2 3.85Å; Y177-L232 HydrophobicContact CE2-CD2 4.42Å; Y177-T233 WeakPolarHBondContact CE1-O 3.33Å; Y177-T233 PolarHBondContact OH-O 3.45Å; Y177-T233 VanDerWaalsContact OH-O 3.09Å |
| 178 | P | 87.9 | Confident | 92 | Very high | 73 Ų | 73 | 15.7 Ų | 15.7 | 47% | 0.474 | 9% | 0.086 | S | C | . | . | trans | -53.9 | 139.1 | 172.7 | -25.9 | 34.9 | 0 | 0 | 0 | 111.3 | A180 M181 | P178-A180 HydrophobicContact CB-CB 4.5Å; P178-A180 PolarHBondContact O-N 3.24Å; P178-M181 WeakPolarHBondContact O-CB 3.43Å; P178-M181 WeakPolarHBondContact O-CG 3.4Å; P178-M181 PolarHBondContact O-N 2.84Å | ||
| 179 | S | 85.9 | Confident | 92 | Very high | 26 Ų | 26 | 16 Ų | 16 | 18% | 0.182 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -15.1 | -176.9 | -42.2 | 0 | 0 | 0 | 0 | 114 | Y177 M181 I182 | Y177-S179 PolarHBondContact O-N 3.13Å; S179-M181 PolarHBondContact O-N 3.18Å; S179-I182 WeakPolarHBondContact O-CB 3.43Å; S179-I182 PolarHBondContact O-N 2.81Å |
| 180 | A | 88.1 | Confident | 91.9 | Very high | 32 Ų | 32 | 16 Ų | 16 | 26% | 0.264 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -55 | -34 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P178 I182 S183 Y339 | P178-A180 HydrophobicContact CB-CB 4.5Å; P178-A180 PolarHBondContact O-N 3.24Å; A180-I182 PolarHBondContact O-N 2.97Å; A180-S183 WeakPolarHBondContact O-CB 3.39Å; A180-S183 PolarHBondContact O-N 3.36Å; A180-S183 VanDerWaalsContact O-N 3.16Å; A180-Y339 VanDerWaalsContact CB-OH 3.27Å; A180-Y339 WeakPolarHBondContact CB-OH 3.43Å |
| 181 | M | 92.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 16.1 Ų | 16.1 | 4% | 0.044 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.3 | -27.1 | -179.1 | -63.7 | -51.6 | 117.6 | 0 | 0 | 112.7 | N38 A39 F42 Y177 P178 S179 S183 W184 W185 | N38-M181 VanDerWaalsContact C-SD 3.57Å; N38-M181 HydrophobicContact CB-SD 3.86Å; A39-M181 HydrophobicContact CB-CE 4.26Å; A39-M181 HydrophobicContact CB-SD 4.18Å; A39-M181 PolarHBondContact N-SD 3.28Å; A39-M181 VanDerWaalsContact N-SD 3.42Å; F42-M181 HydrophobicContact CD2-CB 3.61Å; F42-M181 HydrophobicContact CD2-CG 3.73Å; F42-M181 HydrophobicContact CD2-SD 3.95Å; F42-M181 HydrophobicContact CE2-CB 3.89Å; F42-M181 HydrophobicContact CE2-CG 3.91Å; F42-M181 HydrophobicContact CG-CB 4.07Å; Y177-M181 HydrophobicContact CD1-CG 4.47Å; Y177-M181 HydrophobicContact CG-CG 4.41Å; P178-M181 WeakPolarHBondContact O-CB 3.43Å; P178-M181 WeakPolarHBondContact O-CG 3.4Å; P178-M181 PolarHBondContact O-N 2.84Å; S179-M181 PolarHBondContact O-N 3.18Å; M181-S183 VanDerWaalsContact C-N 3.26Å; M181-S183 PolarHBondContact O-N 3.42Å; M181-W184 PolarHBondContact O-N 3.38Å; M181-W184 VanDerWaalsContact O-N 3.12Å; M181-W185 WeakPolarHBondContact O-CB 3.46Å; M181-W185 PolarHBondContact O-N 2.77Å |
| 182 | I | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.3 | -38 | 175.7 | -61.8 | 170.6 | 0 | 0 | 0 | 110.6 | T174 S179 A180 W184 S186 A398 M410 | T174-I182 HydrophobicContact CG2-CG1 4.09Å; S179-I182 WeakPolarHBondContact O-CB 3.43Å; S179-I182 PolarHBondContact O-N 2.81Å; A180-I182 PolarHBondContact O-N 2.97Å; I182-W184 VanDerWaalsContact C-N 3.35Å; I182-S186 WeakPolarHBondContact O-CB 3.32Å; I182-S186 PolarHBondContact O-N 2.85Å; I182-A398 HydrophobicContact CD1-CB 3.3Å; I182-M410 HydrophobicContact CD1-CE 3.92Å |
| 183 | S | 93.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 16.3 Ų | 16.3 | 4% | 0.035 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | 175.6 | -167.8 | 0 | 0 | 0 | 0 | 112 | A180 M181 S187 L338 | A180-S183 WeakPolarHBondContact O-CB 3.39Å; A180-S183 PolarHBondContact O-N 3.36Å; A180-S183 VanDerWaalsContact O-N 3.16Å; M181-S183 VanDerWaalsContact C-N 3.26Å; M181-S183 PolarHBondContact O-N 3.42Å; S183-S187 VanDerWaalsContact O-CB 3.25Å; S183-S187 WeakPolarHBondContact O-CB 3.5Å; S183-S187 PolarHBondContact O-N 3.36Å; S183-L338 WeakPolarHBondContact OG-CB 3.39Å |
| 184 | W | 95.5 | Very high | 91.4 | Very high | 90 Ų | 90 | 18.3 Ų | 18.3 | 34% | 0.341 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -71.2 | -45.1 | -179.4 | -73.7 | 100.6 | 0 | 0 | 0 | 111.6 | A39 F42 W43 M181 I182 S186 S187 G188 | A39-W184 HydrophobicContact CB-CD2 3.75Å; A39-W184 HydrophobicContact CB-CE3 4.47Å; A39-W184 HydrophobicContact CB-CG 3.78Å; A39-W184 HydrophobicContact CB-CZ2 4.19Å; A39-W184 WeakPolarHBondContact O-CB 3.44Å; F42-W184 HydrophobicContact CB-CB 4.36Å; W43-W184 WeakPolarHBondContact CA-O 3.47Å; W43-W184 HydrophobicContact CB-CB 4.42Å; W43-W184 HydrophobicContact CB-CE3 4.05Å; W43-W184 HydrophobicContact CG-CE3 4.23Å; M181-W184 PolarHBondContact O-N 3.38Å; M181-W184 VanDerWaalsContact O-N 3.12Å; I182-W184 VanDerWaalsContact C-N 3.35Å; W184-S186 PolarHBondContact O-N 2.96Å; W184-S187 PolarHBondContact O-N 3Å; W184-G188 PolarHBondContact O-N 3.42Å |
| 185 | W | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54.7 | -50.3 | 169.9 | 166.4 | -97.2 | 0 | 0 | 0 | 111.7 | F42 L45 G46 N49 E167 F170 M181 S187 G188 T189 Y390 | F42-W185 HydrophobicContact CB-CB 4.25Å; F42-W185 HydrophobicContact CD1-CB 4.26Å; F42-W185 WeakPolarHBondContact O-CA 3.44Å; L45-W185 HydrophobicContact CB-CE3 4.07Å; L45-W185 HydrophobicContact CB-CZ3 3.8Å; G46-W185 VanDerWaalsContact N-CE3 3.32Å; N49-W185 HydrophobicContact CB-CH2 3.76Å; N49-W185 HydrophobicContact CB-CZ3 4.36Å; E167-W185 HydrophobicContact CB-CZ2 4.37Å; E167-W185 HydrophobicContact CG-CZ2 4.14Å; F170-W185 HydrophobicContact CB-CD2 4.33Å; F170-W185 HydrophobicContact CB-CE3 3.72Å; F170-W185 HydrophobicContact CB-CH2 3.54Å; F170-W185 HydrophobicContact CB-CZ2 4.14Å; F170-W185 HydrophobicContact CB-CZ3 3.26Å; F170-W185 AromaticContact CD2-CH2 3.46Å; F170-W185 HydrophobicContact CD2-CH2 3.46Å; F170-W185 VanDerWaalsContact CD2-CH2 3.46Å; F170-W185 AromaticContact CD2-CZ3 3.4Å; F170-W185 HydrophobicContact CD2-CZ3 3.4Å; F170-W185 HydrophobicContact CE2-CZ3 4.41Å; F170-W185 HydrophobicContact CG-CE3 4.35Å; F170-W185 AromaticContact CG-CH2 3.9Å; F170-W185 HydrophobicContact CG-CH2 3.9Å; F170-W185 AromaticContact CG-CZ3 3.55Å; F170-W185 HydrophobicContact CG-CZ3 3.55Å; M181-W185 WeakPolarHBondContact O-CB 3.46Å; M181-W185 PolarHBondContact O-N 2.77Å; W185-S187 PolarHBondContact O-N 3.45Å; W185-G188 PolarHBondContact O-N 3.41Å; W185-T189 HydrophobicContact CD2-CG2 4.29Å; W185-T189 HydrophobicContact CH2-CG2 4.25Å; W185-T189 HydrophobicContact CZ2-CG2 3.69Å; W185-T189 WeakPolarHBondContact O-CG2 3.47Å; W185-T189 PolarHBondContact O-N 3.49Å; W185-T189 PolarHBondContact O-OG1 3.41Å; W185-Y390 PolarHBondContact NE1-OH 3.43Å |
| 186 | S | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | -179.8 | -169.4 | 0 | 0 | 0 | 0 | 112 | I182 W184 G188 T189 G190 R335 Y390 V391 | I182-S186 WeakPolarHBondContact O-CB 3.32Å; I182-S186 PolarHBondContact O-N 2.85Å; W184-S186 PolarHBondContact O-N 2.96Å; S186-G188 VanDerWaalsContact C-N 3.34Å; S186-G188 PolarHBondContact O-N 3.21Å; S186-T189 WeakPolarHBondContact CA-OG1 3.06Å; S186-T189 PolarHBondContact O-N 2.91Å; S186-T189 PolarHBondContact O-OG1 3.17Å; S186-G190 PolarHBondContact O-N 2.69Å; S186-R335 WeakPolarHBondContact O-CB 3.2Å; S186-R335 WeakPolarHBondContact O-CD 3.22Å; S186-R335 WeakPolarHBondContact OG-CB 2.88Å; S186-R335 WeakPolarHBondContact OG-CD 3.42Å; S186-R335 WeakPolarHBondContact OG-CG 3.47Å; S186-Y390 WeakPolarHBondContact OG-CD1 3.33Å; S186-Y390 WeakPolarHBondContact OG-CE1 3.32Å; S186-V391 WeakPolarHBondContact OG-CB 3.43Å |
| 187 | S | 95.5 | Very high | 90.9 | Very high | 12 Ų | 12 | 20.7 Ų | 20.7 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 173.7 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | W43 S183 W184 W185 T189 G190 G191 F332 S336 | W43-S187 PolarHBondContact NE1-OG 3.22Å; S183-S187 VanDerWaalsContact O-CB 3.25Å; S183-S187 WeakPolarHBondContact O-CB 3.5Å; S183-S187 PolarHBondContact O-N 3.36Å; W184-S187 PolarHBondContact O-N 3Å; W185-S187 PolarHBondContact O-N 3.45Å; S187-T189 PolarHBondContact O-N 3.4Å; S187-G190 PolarHBondContact O-N 3.08Å; S187-G191 PolarHBondContact O-N 3.44Å; S187-F332 WeakPolarHBondContact O-CD2 3.38Å; S187-S336 WeakPolarHBondContact CB-OG 3.17Å; S187-S336 PolarHBondContact OG-OG 3.02Å |
| 188 | G | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.7 | -47.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | W43 G46 L47 W184 W185 S186 G190 G191 A192 | W43-G188 WeakPolarHBondContact O-CA 3.38Å; G46-G188 VanDerWaalsContact C-C 3.44Å; L47-G188 VanDerWaalsContact CA-O 3.25Å; L47-G188 WeakPolarHBondContact CA-O 3.29Å; L47-G188 VanDerWaalsContact N-C 3.34Å; L47-G188 PolarHBondContact N-O 2.87Å; W184-G188 PolarHBondContact O-N 3.42Å; W185-G188 PolarHBondContact O-N 3.41Å; S186-G188 VanDerWaalsContact C-N 3.34Å; S186-G188 PolarHBondContact O-N 3.21Å; G188-G190 VanDerWaalsContact C-N 3.32Å; G188-G190 PolarHBondContact O-N 2.9Å; G188-G191 CarbonylContact O-C 3.46Å; G188-G191 WeakPolarHBondContact O-CA 3.34Å; G188-G191 PolarHBondContact O-N 3.35Å; G188-A192 PolarHBondContact O-N 3.17Å |
| 189 | T | 94.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -34.5 | 176.7 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | G46 W185 S186 S187 A192 R335 | G46-T189 WeakPolarHBondContact O-CA 3.38Å; G46-T189 WeakPolarHBondContact O-CG2 3.39Å; W185-T189 HydrophobicContact CD2-CG2 4.29Å; W185-T189 HydrophobicContact CH2-CG2 4.25Å; W185-T189 HydrophobicContact CZ2-CG2 3.69Å; W185-T189 WeakPolarHBondContact O-CG2 3.47Å; W185-T189 PolarHBondContact O-N 3.49Å; W185-T189 PolarHBondContact O-OG1 3.41Å; S186-T189 WeakPolarHBondContact CA-OG1 3.06Å; S186-T189 PolarHBondContact O-N 2.91Å; S186-T189 PolarHBondContact O-OG1 3.17Å; S187-T189 PolarHBondContact O-N 3.4Å; T189-A192 WeakPolarHBondContact O-CB 3.46Å; T189-A192 PolarHBondContact O-N 3.44Å; T189-R335 PolarHBondContact OG1-NH1 3.46Å |
| 190 | G | 91.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.1 | -38.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S186 S187 G188 A192 G193 | S186-G190 PolarHBondContact O-N 2.69Å; S187-G190 PolarHBondContact O-N 3.08Å; G188-G190 VanDerWaalsContact C-N 3.32Å; G188-G190 PolarHBondContact O-N 2.9Å; G190-A192 PolarHBondContact O-N 3.43Å; G190-G193 PolarHBondContact O-N 2.68Å |
| 191 | G | 92.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.4 | -30.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S187 G188 G193 L194 L195 | S187-G191 PolarHBondContact O-N 3.44Å; G188-G191 CarbonylContact O-C 3.46Å; G188-G191 WeakPolarHBondContact O-CA 3.34Å; G188-G191 PolarHBondContact O-N 3.35Å; G191-G193 VanDerWaalsContact C-N 3.32Å; G191-G193 PolarHBondContact O-N 3.1Å; G191-L194 PolarHBondContact O-N 3.32Å; G191-L195 VanDerWaalsContact O-CB 3.29Å; G191-L195 WeakPolarHBondContact O-CB 3.38Å; G191-L195 WeakPolarHBondContact O-CG 3.28Å; G191-L195 PolarHBondContact O-N 2.88Å |
| 192 | A | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L47 N50 G188 T189 G190 G196 | L47-A192 HydrophobicContact CD1-CB 4.16Å; L47-A192 VanDerWaalsContact O-CB 3.24Å; L47-A192 WeakPolarHBondContact O-CB 3.34Å; N50-A192 HydrophobicContact CB-CB 3.73Å; G188-A192 PolarHBondContact O-N 3.17Å; T189-A192 WeakPolarHBondContact O-CB 3.46Å; T189-A192 PolarHBondContact O-N 3.44Å; G190-A192 PolarHBondContact O-N 3.43Å; A192-G196 WeakPolarHBondContact O-CA 3.19Å; A192-G196 PolarHBondContact O-N 3.19Å |
| 193 | G | 85.9 | Confident | 89.9 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G190 G191 S197 | G190-G193 PolarHBondContact O-N 2.68Å; G191-G193 VanDerWaalsContact C-N 3.32Å; G191-G193 PolarHBondContact O-N 3.1Å; G193-S197 WeakPolarHBondContact O-CB 2.84Å; G193-S197 PolarHBondContact O-N 2.79Å; G193-S197 PolarHBondContact O-OG 3.46Å |
| 194 | L | 87.8 | Confident | 89.4 | Confident | 43 Ų | 43 | 28.9 Ų | 28.9 | 23% | 0.225 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74 | -52.3 | -179.2 | -170.4 | 67.6 | 0 | 0 | 0 | 112 | G191 S197 V198 | G191-L194 PolarHBondContact O-N 3.32Å; L194-S197 PolarHBondContact O-OG 3.27Å; L194-S197 VanDerWaalsContact O-OG 3.11Å; L194-V198 WeakPolarHBondContact O-CB 3.2Å; L194-V198 WeakPolarHBondContact O-CG2 3.46Å; L194-V198 PolarHBondContact O-N 3.12Å; L194-V198 VanDerWaalsContact O-N 3.13Å |
| 195 | L | 90.9 | Very high | 88.9 | Confident | 78 Ų | 78 | 31.5 Ų | 31.5 | 41% | 0.408 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -71.2 | -37.6 | -176.1 | -66.2 | 179.3 | 0 | 0 | 0 | 112.1 | W43 L47 F51 G191 S199 | W43-L195 HydrophobicContact CH2-CD1 4.42Å; L47-L195 HydrophobicContact CD1-CB 4.28Å; L47-L195 HydrophobicContact CD1-CD1 3.79Å; L47-L195 HydrophobicContact CD2-CD1 4.14Å; F51-L195 HydrophobicContact CE2-CB 4.45Å; G191-L195 VanDerWaalsContact O-CB 3.29Å; G191-L195 WeakPolarHBondContact O-CB 3.38Å; G191-L195 WeakPolarHBondContact O-CG 3.28Å; G191-L195 PolarHBondContact O-N 2.88Å; L195-S199 WeakPolarHBondContact O-CB 3.49Å; L195-S199 PolarHBondContact O-N 3.4Å; L195-S199 PolarHBondContact O-OG 2.8Å |
| 196 | G | 86.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -51 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A192 S199 Y200 | A192-G196 WeakPolarHBondContact O-CA 3.19Å; A192-G196 PolarHBondContact O-N 3.19Å; G196-S199 PolarHBondContact O-N 3.42Å; G196-S199 PolarHBondContact O-OG 3.5Å; G196-Y200 PolarHBondContact O-N 2.91Å |
| 197 | S | 79.8 | Confident | 88.3 | Confident | 40 Ų | 40 | 38.3 Ų | 38.3 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64 | -45 | 179.6 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | G193 L194 L201 | G193-S197 WeakPolarHBondContact O-CB 2.84Å; G193-S197 PolarHBondContact O-N 2.79Å; G193-S197 PolarHBondContact O-OG 3.46Å; L194-S197 PolarHBondContact O-OG 3.27Å; L194-S197 VanDerWaalsContact O-OG 3.11Å; S197-L201 WeakPolarHBondContact O-CB 3.45Å; S197-L201 PolarHBondContact O-N 2.98Å |
| 198 | V | 85.5 | Confident | 87.9 | Confident | 87 Ų | 87 | 40.7 Ų | 40.7 | 53% | 0.527 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 178.1 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | L194 G202 | L194-V198 WeakPolarHBondContact O-CB 3.2Å; L194-V198 WeakPolarHBondContact O-CG2 3.46Å; L194-V198 PolarHBondContact O-N 3.12Å; L194-V198 VanDerWaalsContact O-N 3.13Å; V198-G202 WeakPolarHBondContact O-CA 3.34Å; V198-G202 PolarHBondContact O-N 2.99Å |
| 199 | S | 89.3 | Confident | 87.5 | Confident | 33 Ų | 33 | 42.9 Ų | 42.9 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | -178.7 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | F51 L195 G196 L203 M217 | F51-S199 WeakPolarHBondContact CZ-OG 3.13Å; L195-S199 WeakPolarHBondContact O-CB 3.49Å; L195-S199 PolarHBondContact O-N 3.4Å; L195-S199 PolarHBondContact O-OG 2.8Å; G196-S199 PolarHBondContact O-N 3.42Å; G196-S199 PolarHBondContact O-OG 3.5Å; S199-L203 WeakPolarHBondContact O-CB 3.03Å; S199-L203 VanDerWaalsContact O-CG 3.32Å; S199-L203 WeakPolarHBondContact O-CG 3.33Å; S199-L203 PolarHBondContact O-N 3.28Å; S199-L203 VanDerWaalsContact O-N 3.08Å; S199-M217 VanDerWaalsContact OG-CE 3.28Å; S199-M217 WeakPolarHBondContact OG-CE 3.34Å |
| 200 | Y | 84.8 | Confident | 87 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -50.8 | 180 | -178.8 | -97.1 | 0 | 0 | 0 | 110 | V55 A59 G196 G202 L203 I204 T213 L214 | V55-Y200 HydrophobicContact CG1-CD2 3.77Å; V55-Y200 HydrophobicContact CG1-CE2 4.44Å; V55-Y200 HydrophobicContact CG1-CG 4.33Å; A59-Y200 HydrophobicContact CB-CE1 4.26Å; A59-Y200 HydrophobicContact CB-CE2 3.89Å; G196-Y200 PolarHBondContact O-N 2.91Å; Y200-G202 PolarHBondContact O-N 3.19Å; Y200-L203 PolarHBondContact O-N 3.17Å; Y200-I204 HydrophobicContact CD1-CG1 4.36Å; Y200-I204 HydrophobicContact CE1-CG1 4.03Å; Y200-I204 VanDerWaalsContact O-CG1 3.28Å; Y200-I204 WeakPolarHBondContact O-CG1 3.25Å; Y200-I204 PolarHBondContact O-N 3.26Å; Y200-I204 VanDerWaalsContact O-N 3.1Å; Y200-T213 HydrophobicContact CD2-CG2 3.55Å; Y200-T213 HydrophobicContact CE2-CG2 3.83Å; Y200-T213 HydrophobicContact CG-CG2 4.36Å; Y200-L214 HydrophobicContact CD2-CD2 4.45Å; Y200-L214 HydrophobicContact CE2-CD2 4.06Å; Y200-L214 HydrophobicContact CE2-CG 4.36Å |
| 201 | L | 81.3 | Confident | 86.8 | Confident | 69 Ų | 69 | 48.9 Ų | 48.9 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 179.3 | -177.7 | 61.7 | 0 | 0 | 0 | 112.1 | S197 L203 I204 Q205 | S197-L201 WeakPolarHBondContact O-CB 3.45Å; S197-L201 PolarHBondContact O-N 2.98Å; L201-L203 PolarHBondContact O-N 3.2Å; L201-I204 PolarHBondContact O-N 2.65Å; L201-Q205 HydrophobicContact CD1-CG 4.28Å; L201-Q205 HydrophobicContact CG-CG 4.42Å; L201-Q205 WeakPolarHBondContact O-CB 3.26Å; L201-Q205 VanDerWaalsContact O-CG 3.32Å; L201-Q205 WeakPolarHBondContact O-CG 3.41Å; L201-Q205 PolarHBondContact O-N 3.34Å |
| 202 | G | 85.9 | Confident | 86.7 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V198 Y200 Q205 A206 | V198-G202 WeakPolarHBondContact O-CA 3.34Å; V198-G202 PolarHBondContact O-N 2.99Å; Y200-G202 PolarHBondContact O-N 3.19Å; G202-Q205 PolarHBondContact O-N 3.48Å; G202-A206 WeakPolarHBondContact O-CB 3.49Å; G202-A206 PolarHBondContact O-N 3.42Å |
| 203 | L | 88.3 | Confident | 86.6 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.8 | -39 | 176.8 | -71.1 | 173.2 | 0 | 0 | 0 | 112.4 | S199 Y200 L201 A206 G207 L208 T213 S216 M217 | S199-L203 WeakPolarHBondContact O-CB 3.03Å; S199-L203 VanDerWaalsContact O-CG 3.32Å; S199-L203 WeakPolarHBondContact O-CG 3.33Å; S199-L203 PolarHBondContact O-N 3.28Å; S199-L203 VanDerWaalsContact O-N 3.08Å; Y200-L203 PolarHBondContact O-N 3.17Å; L201-L203 PolarHBondContact O-N 3.2Å; L203-A206 PolarHBondContact O-N 3.43Å; L203-G207 PolarHBondContact O-N 2.9Å; L203-L208 HydrophobicContact CB-CD2 4.47Å; L203-L208 HydrophobicContact CD2-CD2 4.19Å; L203-L208 WeakPolarHBondContact O-CB 3.32Å; L203-L208 PolarHBondContact O-N 2.95Å; L203-L208 VanDerWaalsContact O-N 3.12Å; L203-T213 HydrophobicContact CB-CG2 3.76Å; L203-T213 HydrophobicContact CD1-CG2 3.96Å; L203-S216 WeakPolarHBondContact CD1-OG 3.49Å; L203-M217 HydrophobicContact CD1-CE 3.48Å; L203-M217 VanDerWaalsContact CD1-CE 3.48Å; L203-M217 HydrophobicContact CD1-SD 4.37Å |
| 204 | I | 83.7 | Confident | 86.8 | Confident | 48 Ų | 48 | 54.2 Ų | 54.2 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 173 | -66.2 | -69.4 | 0 | 0 | 0 | 110.7 | Y200 L201 A206 G207 P210 T213 | Y200-I204 HydrophobicContact CD1-CG1 4.36Å; Y200-I204 HydrophobicContact CE1-CG1 4.03Å; Y200-I204 VanDerWaalsContact O-CG1 3.28Å; Y200-I204 WeakPolarHBondContact O-CG1 3.25Å; Y200-I204 PolarHBondContact O-N 3.26Å; Y200-I204 VanDerWaalsContact O-N 3.1Å; L201-I204 PolarHBondContact O-N 2.65Å; I204-A206 VanDerWaalsContact C-N 3.29Å; I204-A206 PolarHBondContact O-N 3.33Å; I204-G207 PolarHBondContact O-N 3.38Å; I204-P210 HydrophobicContact CD1-CB 4.32Å; I204-P210 HydrophobicContact CD1-CG 3.98Å; I204-T213 HydrophobicContact CG1-CG2 4.45Å |
| 205 | Q | 85 | Confident | 87.1 | Confident | 145 Ų | 145 | 54.4 Ų | 54.4 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.5 | -29.8 | 176.4 | -73.8 | -177 | 17.4 | 0 | 0 | 113 | L201 G202 G207 | L201-Q205 HydrophobicContact CD1-CG 4.28Å; L201-Q205 HydrophobicContact CG-CG 4.42Å; L201-Q205 WeakPolarHBondContact O-CB 3.26Å; L201-Q205 VanDerWaalsContact O-CG 3.32Å; L201-Q205 WeakPolarHBondContact O-CG 3.41Å; L201-Q205 PolarHBondContact O-N 3.34Å; G202-Q205 PolarHBondContact O-N 3.48Å; Q205-G207 PolarHBondContact O-N 2.92Å |
| 206 | A | 89.4 | Confident | 87.2 | Confident | 76 Ų | 76 | 53.2 Ų | 53.2 | 63% | 0.628 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -1.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G202 L203 I204 L208 | G202-A206 WeakPolarHBondContact O-CB 3.49Å; G202-A206 PolarHBondContact O-N 3.42Å; L203-A206 PolarHBondContact O-N 3.43Å; I204-A206 VanDerWaalsContact C-N 3.29Å; I204-A206 PolarHBondContact O-N 3.33Å; A206-L208 HydrophobicContact CB-CD1 4.21Å |
| 207 | G | 87.3 | Confident | 87.5 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 69% | 0.691 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | 8.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L203 I204 Q205 | L203-G207 PolarHBondContact O-N 2.9Å; I204-G207 PolarHBondContact O-N 3.38Å; Q205-G207 PolarHBondContact O-N 2.92Å |
| 208 | L | 88.1 | Confident | 88.2 | Confident | 62 Ų | 62 | 54 Ų | 54 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | trans | -73.3 | 142.8 | 173.6 | -78.2 | 72.4 | 0 | 0 | 0 | 109.9 | L203 A206 H212 T213 | L203-L208 HydrophobicContact CB-CD2 4.47Å; L203-L208 HydrophobicContact CD2-CD2 4.19Å; L203-L208 WeakPolarHBondContact O-CB 3.32Å; L203-L208 PolarHBondContact O-N 2.95Å; L203-L208 VanDerWaalsContact O-N 3.12Å; A206-L208 HydrophobicContact CB-CD1 4.21Å; L208-H212 HydrophobicContact CD2-CB 4.48Å; L208-T213 WeakPolarHBondContact CB-OG1 3.42Å | ||
| 209 | S | 86.8 | Confident | 88.7 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | trans | -68.7 | 157.2 | 170.4 | 77.7 | 0 | 0 | 0 | 0 | 110.8 | Q211 H212 T213 | S209-Q211 PolarHBondContact O-N 3.46Å; S209-H212 PolarHBondContact O-N 3.26Å; S209-H212 PolarHBondContact OG-N 3.43Å; S209-H212 PolarHBondContact OG-ND1 3.33Å; S209-T213 WeakPolarHBondContact O-CB 3.28Å; S209-T213 PolarHBondContact O-N 2.93Å; S209-T213 PolarHBondContact O-OG1 3.33Å | ||
| 210 | P | 83.8 | Confident | 89.1 | Confident | 56 Ų | 56 | 52.5 Ų | 52.5 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -53.3 | -39 | 175.8 | -27.6 | 34.2 | 0 | 0 | 0 | 113.1 | I204 T213 L214 | I204-P210 HydrophobicContact CD1-CB 4.32Å; I204-P210 HydrophobicContact CD1-CG 3.98Å; P210-T213 PolarHBondContact O-N 2.94Å; P210-L214 VanDerWaalsContact O-CG 3.28Å; P210-L214 WeakPolarHBondContact O-CG 3.32Å; P210-L214 PolarHBondContact O-N 2.88Å |
| 211 | Q | 88.2 | Confident | 89.7 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.5 | -52.9 | 176.7 | 178.1 | 177.6 | 14.3 | 0 | 0 | 112.1 | A144 S209 T213 L214 L215 | A144-Q211 HydrophobicContact CB-CG 4.24Å; A144-Q211 WeakPolarHBondContact O-CG 3.28Å; S209-Q211 PolarHBondContact O-N 3.46Å; Q211-T213 VanDerWaalsContact C-N 3.28Å; Q211-T213 PolarHBondContact O-N 3.31Å; Q211-L214 PolarHBondContact O-N 3.37Å; Q211-L215 HydrophobicContact CG-CD1 4.2Å; Q211-L215 WeakPolarHBondContact O-CG 3.37Å; Q211-L215 PolarHBondContact O-N 3.34Å |
| 212 | H | 89.3 | Confident | 90.4 | Very high | 115 Ų | 115 | 53.6 Ų | 53.6 | 53% | 0.532 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.2 | -35.5 | 179.4 | -67.4 | 101.8 | 0 | 0 | 0 | 111.8 | L208 S209 L215 S216 | L208-H212 HydrophobicContact CD2-CB 4.48Å; S209-H212 PolarHBondContact O-N 3.26Å; S209-H212 PolarHBondContact OG-N 3.43Å; S209-H212 PolarHBondContact OG-ND1 3.33Å; H212-L215 PolarHBondContact O-N 2.96Å; H212-S216 WeakPolarHBondContact O-CB 3.48Å; H212-S216 PolarHBondContact O-N 3.37Å |
| 213 | T | 90.4 | Very high | 91 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -51.9 | 175 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | Y200 L203 I204 L208 S209 P210 Q211 L215 S216 M217 | Y200-T213 HydrophobicContact CD2-CG2 3.55Å; Y200-T213 HydrophobicContact CE2-CG2 3.83Å; Y200-T213 HydrophobicContact CG-CG2 4.36Å; L203-T213 HydrophobicContact CB-CG2 3.76Å; L203-T213 HydrophobicContact CD1-CG2 3.96Å; I204-T213 HydrophobicContact CG1-CG2 4.45Å; L208-T213 WeakPolarHBondContact CB-OG1 3.42Å; S209-T213 WeakPolarHBondContact O-CB 3.28Å; S209-T213 PolarHBondContact O-N 2.93Å; S209-T213 PolarHBondContact O-OG1 3.33Å; P210-T213 PolarHBondContact O-N 2.94Å; Q211-T213 VanDerWaalsContact C-N 3.28Å; Q211-T213 PolarHBondContact O-N 3.31Å; T213-L215 PolarHBondContact O-N 2.92Å; T213-S216 PolarHBondContact O-N 3.41Å; T213-S216 PolarHBondContact O-OG 3.29Å; T213-M217 HydrophobicContact CG2-CE 4.26Å; T213-M217 WeakPolarHBondContact O-CG 3.18Å; T213-M217 PolarHBondContact O-N 3.49Å |
| 214 | L | 90.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 178.4 | -68.6 | 172.9 | 0 | 0 | 0 | 112.8 | V55 M56 F140 V143 A144 Y200 P210 Q211 S216 M217 | V55-L214 HydrophobicContact CG1-CD2 3.77Å; M56-L214 HydrophobicContact CE-CD2 3.83Å; F140-L214 HydrophobicContact CD1-CD2 4.09Å; F140-L214 HydrophobicContact CE1-CD2 4.48Å; V143-L214 HydrophobicContact CB-CD1 4.06Å; V143-L214 HydrophobicContact CG1-CD1 3.55Å; A144-L214 HydrophobicContact CB-CB 3.99Å; A144-L214 HydrophobicContact CB-CD1 4.45Å; Y200-L214 HydrophobicContact CD2-CD2 4.45Å; Y200-L214 HydrophobicContact CE2-CD2 4.06Å; Y200-L214 HydrophobicContact CE2-CG 4.36Å; P210-L214 VanDerWaalsContact O-CG 3.28Å; P210-L214 WeakPolarHBondContact O-CG 3.32Å; P210-L214 PolarHBondContact O-N 2.88Å; Q211-L214 PolarHBondContact O-N 3.37Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 2.89Å; L214-M217 WeakPolarHBondContact O-CB 3.44Å; L214-M217 PolarHBondContact O-N 2.98Å |
| 215 | L | 93.3 | Very high | 92 | Very high | 48 Ų | 48 | 53 Ų | 53 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 175.4 | -70 | 174.3 | 0 | 0 | 0 | 112.3 | A144 F145 Q211 H212 T213 M217 L218 | A144-L215 HydrophobicContact CB-CD2 3.92Å; A144-L215 HydrophobicContact CB-CG 3.9Å; F145-L215 HydrophobicContact CE2-CD1 4.43Å; F145-L215 HydrophobicContact CE2-CD2 3.79Å; F145-L215 HydrophobicContact CZ-CD1 4.04Å; F145-L215 HydrophobicContact CZ-CD2 4.21Å; Q211-L215 HydrophobicContact CG-CD1 4.2Å; Q211-L215 WeakPolarHBondContact O-CG 3.37Å; Q211-L215 PolarHBondContact O-N 3.34Å; H212-L215 PolarHBondContact O-N 2.96Å; T213-L215 PolarHBondContact O-N 2.92Å; L215-M217 PolarHBondContact O-N 2.98Å; L215-L218 HydrophobicContact CD2-CD1 4.31Å; L215-L218 VanDerWaalsContact O-CB 3.3Å; L215-L218 WeakPolarHBondContact O-CB 3.44Å; L215-L218 WeakPolarHBondContact O-CG 3.49Å; L215-L218 PolarHBondContact O-N 3.5Å |
| 216 | S | 93.3 | Very high | 92.5 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.5 | -28.1 | 175.7 | 76.1 | 0 | 0 | 0 | 0 | 112.7 | L203 H212 T213 L214 L218 V219 | L203-S216 WeakPolarHBondContact CD1-OG 3.49Å; H212-S216 WeakPolarHBondContact O-CB 3.48Å; H212-S216 PolarHBondContact O-N 3.37Å; T213-S216 PolarHBondContact O-N 3.41Å; T213-S216 PolarHBondContact O-OG 3.29Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 2.89Å; S216-L218 PolarHBondContact O-N 2.97Å; S216-V219 PolarHBondContact O-N 3.15Å |
| 217 | M | 93.3 | Very high | 92.8 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 4% | 0.044 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.8 | 176.6 | -59 | -52.6 | -176.9 | 0 | 0 | 113.7 | F51 F140 S199 L203 T213 L214 L215 V219 V220 P221 | F51-M217 HydrophobicContact CE1-CE 4.44Å; F51-M217 HydrophobicContact CE1-CG 4.25Å; F51-M217 HydrophobicContact CE1-SD 3.71Å; F51-M217 HydrophobicContact CZ-SD 3.99Å; F140-M217 HydrophobicContact CD1-CB 4.05Å; F140-M217 HydrophobicContact CD2-CB 4.43Å; F140-M217 HydrophobicContact CE1-CB 3.79Å; F140-M217 HydrophobicContact CE1-CG 4.39Å; F140-M217 HydrophobicContact CE2-CB 4.16Å; F140-M217 HydrophobicContact CG-CB 4.37Å; F140-M217 HydrophobicContact CZ-CB 3.82Å; S199-M217 VanDerWaalsContact OG-CE 3.28Å; S199-M217 WeakPolarHBondContact OG-CE 3.34Å; L203-M217 HydrophobicContact CD1-CE 3.48Å; L203-M217 VanDerWaalsContact CD1-CE 3.48Å; L203-M217 HydrophobicContact CD1-SD 4.37Å; T213-M217 HydrophobicContact CG2-CE 4.26Å; T213-M217 WeakPolarHBondContact O-CG 3.18Å; T213-M217 PolarHBondContact O-N 3.49Å; L214-M217 WeakPolarHBondContact O-CB 3.44Å; L214-M217 PolarHBondContact O-N 2.98Å; L215-M217 PolarHBondContact O-N 2.98Å; M217-V219 PolarHBondContact O-N 3.38Å; M217-V219 VanDerWaalsContact O-N 3.09Å; M217-V220 VanDerWaalsContact O-CB 3.25Å; M217-V220 WeakPolarHBondContact O-CB 3.4Å; M217-V220 WeakPolarHBondContact O-CG2 3.4Å; M217-V220 PolarHBondContact O-N 3.38Å; M217-P221 WeakPolarHBondContact O-CD 3.4Å |
| 218 | L | 95.6 | Very high | 93.1 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.5 | 171 | -74.5 | 173.8 | 0 | 0 | 0 | 113.6 | A137 F140 I141 L215 S216 V220 P221 V222 | A137-L218 HydrophobicContact CB-CD2 3.89Å; F140-L218 HydrophobicContact CB-CD2 4.17Å; I141-L218 HydrophobicContact CD1-CD1 4.4Å; I141-L218 HydrophobicContact CD1-CD2 4.21Å; I141-L218 HydrophobicContact CG1-CD1 4.1Å; I141-L218 HydrophobicContact CG1-CD2 4.05Å; L215-L218 HydrophobicContact CD2-CD1 4.31Å; L215-L218 VanDerWaalsContact O-CB 3.3Å; L215-L218 WeakPolarHBondContact O-CB 3.44Å; L215-L218 WeakPolarHBondContact O-CG 3.49Å; L215-L218 PolarHBondContact O-N 3.5Å; S216-L218 PolarHBondContact O-N 2.97Å; L218-V220 PolarHBondContact O-N 3.26Å; L218-P221 HydrophobicContact CD2-CG 4.35Å; L218-P221 VanDerWaalsContact O-CD 3.27Å; L218-P221 WeakPolarHBondContact O-CD 3.46Å; L218-P221 VanDerWaalsContact O-CG 3.31Å; L218-P221 WeakPolarHBondContact O-CG 3.44Å; L218-V222 WeakPolarHBondContact O-CG2 3.27Å |
| 219 | V | 96.3 | Very high | 93.4 | Very high | 80 Ų | 80 | 42.7 Ų | 42.7 | 49% | 0.485 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.1 | -31.6 | 168.5 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | S216 M217 V222 L223 | S216-V219 PolarHBondContact O-N 3.15Å; M217-V219 PolarHBondContact O-N 3.38Å; M217-V219 VanDerWaalsContact O-N 3.09Å; V219-V222 PolarHBondContact O-N 3.14Å; V219-L223 HydrophobicContact CG2-CD1 4Å; V219-L223 HydrophobicContact CG2-CG 4.17Å; V219-L223 WeakPolarHBondContact O-CB 3.31Å; V219-L223 VanDerWaalsContact O-CG 3.26Å; V219-L223 WeakPolarHBondContact O-CG 3.36Å; V219-L223 PolarHBondContact O-N 3.05Å |
| 220 | V | 96.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -54.8 | -175.8 | 176.3 | 0 | 0 | 0 | 0 | 113.1 | C48 F51 M217 L218 V222 L223 L224 | C48-V220 HydrophobicContact CB-CG1 3.73Å; F51-V220 HydrophobicContact CB-CG1 3.74Å; F51-V220 HydrophobicContact CD1-CB 4.35Å; F51-V220 HydrophobicContact CD1-CG1 4.05Å; F51-V220 HydrophobicContact CD1-CG2 3.64Å; F51-V220 HydrophobicContact CD2-CG2 4.47Å; F51-V220 HydrophobicContact CE1-CG2 3.65Å; F51-V220 HydrophobicContact CE2-CG2 4.49Å; F51-V220 HydrophobicContact CG-CG1 3.96Å; F51-V220 HydrophobicContact CG-CG2 4.05Å; F51-V220 HydrophobicContact CZ-CG2 4.08Å; M217-V220 VanDerWaalsContact O-CB 3.25Å; M217-V220 WeakPolarHBondContact O-CB 3.4Å; M217-V220 WeakPolarHBondContact O-CG2 3.4Å; M217-V220 PolarHBondContact O-N 3.38Å; L218-V220 PolarHBondContact O-N 3.26Å; V220-V222 PolarHBondContact O-N 3.35Å; V220-L223 PolarHBondContact O-N 3.01Å; V220-L223 VanDerWaalsContact O-N 3.16Å; V220-L224 PolarHBondContact O-N 2.88Å |
| 221 | P | 96.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -31.2 | 175.8 | 21.9 | -33.2 | 0 | 0 | 0 | 112.6 | G133 A137 M217 L218 L224 L225 | G133-P221 WeakPolarHBondContact O-CB 3.43Å; A137-P221 HydrophobicContact CB-CB 4.11Å; A137-P221 HydrophobicContact CB-CG 3.83Å; M217-P221 WeakPolarHBondContact O-CD 3.4Å; L218-P221 HydrophobicContact CD2-CG 4.35Å; L218-P221 VanDerWaalsContact O-CD 3.27Å; L218-P221 WeakPolarHBondContact O-CD 3.46Å; L218-P221 VanDerWaalsContact O-CG 3.31Å; L218-P221 WeakPolarHBondContact O-CG 3.44Å; P221-L224 PolarHBondContact O-N 3.06Å; P221-L225 WeakPolarHBondContact O-CG 3.41Å; P221-L225 PolarHBondContact O-N 3.18Å |
| 222 | V | 97.3 | Very high | 94 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 58% | 0.576 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -65.3 | -44.9 | 173.5 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | L218 V219 V220 L224 L225 A226 | L218-V222 WeakPolarHBondContact O-CG2 3.27Å; V219-V222 PolarHBondContact O-N 3.14Å; V220-V222 PolarHBondContact O-N 3.35Å; V222-L224 VanDerWaalsContact C-N 3.34Å; V222-L224 PolarHBondContact O-N 3.27Å; V222-L225 PolarHBondContact O-N 3.28Å; V222-A226 VanDerWaalsContact O-CB 3.26Å; V222-A226 WeakPolarHBondContact O-CB 3.48Å; V222-A226 PolarHBondContact O-N 2.81Å |
| 223 | L | 97.1 | Very high | 93.7 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 43% | 0.429 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 175.8 | -73.6 | 173.2 | 0 | 0 | 0 | 112.2 | I44 V219 V220 A226 S227 | I44-L223 HydrophobicContact CG2-CB 4.37Å; V219-L223 HydrophobicContact CG2-CD1 4Å; V219-L223 HydrophobicContact CG2-CG 4.17Å; V219-L223 WeakPolarHBondContact O-CB 3.31Å; V219-L223 VanDerWaalsContact O-CG 3.26Å; V219-L223 WeakPolarHBondContact O-CG 3.36Å; V219-L223 PolarHBondContact O-N 3.05Å; V220-L223 PolarHBondContact O-N 3.01Å; V220-L223 VanDerWaalsContact O-N 3.16Å; L223-A226 PolarHBondContact O-N 3.47Å; L223-S227 VanDerWaalsContact O-CB 3.23Å; L223-S227 WeakPolarHBondContact O-CB 3.32Å; L223-S227 PolarHBondContact O-N 2.8Å |
| 224 | L | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.5 | -51.5 | 173.9 | -176.2 | 147.3 | 0 | 0 | 0 | 111.2 | L45 C48 N49 V129 T132 F170 V220 P221 V222 S227 Y228 | L45-L224 HydrophobicContact CD2-CG 4.09Å; L45-L224 VanDerWaalsContact CD2-O 3.31Å; L45-L224 WeakPolarHBondContact CD2-O 3.49Å; C48-L224 HydrophobicContact CB-CB 3.7Å; C48-L224 HydrophobicContact CB-CD1 3.97Å; C48-L224 HydrophobicContact CB-CG 4.3Å; N49-L224 HydrophobicContact CB-CD1 4.48Å; V129-L224 HydrophobicContact CG1-CD2 4.03Å; T132-L224 HydrophobicContact CG2-CD1 4.17Å; T132-L224 HydrophobicContact CG2-CD2 4.32Å; F170-L224 HydrophobicContact CE2-CD1 4.24Å; F170-L224 HydrophobicContact CE2-CG 4.5Å; F170-L224 HydrophobicContact CZ-CD1 4.47Å; F170-L224 HydrophobicContact CZ-CD2 4.07Å; F170-L224 HydrophobicContact CZ-CG 4.27Å; V220-L224 PolarHBondContact O-N 2.88Å; P221-L224 PolarHBondContact O-N 3.06Å; V222-L224 VanDerWaalsContact C-N 3.34Å; V222-L224 PolarHBondContact O-N 3.27Å; L224-S227 PolarHBondContact O-N 2.93Å; L224-Y228 PolarHBondContact O-N 3.45Å; L224-Y228 VanDerWaalsContact O-N 3.17Å |
| 225 | L | 96.7 | Very high | 91.2 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 179.4 | -65.9 | 174.9 | 0 | 0 | 0 | 111.6 | V129 L130 P221 V222 S227 Y228 F229 | V129-L225 HydrophobicContact CG1-CD2 4.12Å; L130-L225 HydrophobicContact CD1-CD2 4.42Å; P221-L225 WeakPolarHBondContact O-CG 3.41Å; P221-L225 PolarHBondContact O-N 3.18Å; V222-L225 PolarHBondContact O-N 3.28Å; L225-S227 VanDerWaalsContact C-N 3.31Å; L225-S227 PolarHBondContact O-N 3.45Å; L225-Y228 PolarHBondContact O-N 3.16Å; L225-F229 HydrophobicContact CB-CD2 4.43Å; L225-F229 HydrophobicContact CD2-CE2 4.15Å; L225-F229 VanDerWaalsContact O-CD2 3.28Å; L225-F229 WeakPolarHBondContact O-CD2 3.48Å; L225-F229 PolarHBondContact O-N 2.87Å |
| 226 | A | 95.9 | Very high | 89.3 | Confident | 34 Ų | 34 | 48 Ų | 48 | 28% | 0.281 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V222 L223 Y228 L230 L231 | V222-A226 VanDerWaalsContact O-CB 3.26Å; V222-A226 WeakPolarHBondContact O-CB 3.48Å; V222-A226 PolarHBondContact O-N 2.81Å; L223-A226 PolarHBondContact O-N 3.47Å; A226-Y228 VanDerWaalsContact C-N 3.34Å; A226-Y228 PolarHBondContact O-N 2.93Å; A226-L230 HydrophobicContact CB-CD1 4.18Å; A226-L230 WeakPolarHBondContact O-CA 3.3Å; A226-L230 WeakPolarHBondContact O-CB 3.38Å; A226-L230 PolarHBondContact O-N 3.13Å; A226-L231 PolarHBondContact O-N 2.94Å |
| 227 | S | 95.5 | Very high | 87.2 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -60.4 | -45.1 | 176.7 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | G41 L223 L224 L225 L231 L232 | G41-S227 VanDerWaalsContact CA-OG 3.23Å; G41-S227 WeakPolarHBondContact CA-OG 3.43Å; G41-S227 PolarHBondContact O-OG 2.85Å; L223-S227 VanDerWaalsContact O-CB 3.23Å; L223-S227 WeakPolarHBondContact O-CB 3.32Å; L223-S227 PolarHBondContact O-N 2.8Å; L224-S227 PolarHBondContact O-N 2.93Å; L225-S227 VanDerWaalsContact C-N 3.31Å; L225-S227 PolarHBondContact O-N 3.45Å; S227-L231 WeakPolarHBondContact O-CB 3.5Å; S227-L231 PolarHBondContact O-N 3.41Å; S227-L232 PolarHBondContact O-N 2.83Å |
| 228 | Y | 94.5 | Very high | 85 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -69.1 | -50 | 178.7 | -176.7 | -97.8 | 0 | 0 | 0 | 113.8 | Y125 S126 V129 F170 L173 L224 L225 A226 L232 A250 | Y125-Y228 WeakPolarHBondContact CB-OH 3.33Å; S126-Y228 PolarHBondContact N-OH 3.24Å; V129-Y228 HydrophobicContact CB-CD1 4.16Å; V129-Y228 HydrophobicContact CB-CD2 4.47Å; V129-Y228 HydrophobicContact CB-CE1 4.36Å; V129-Y228 HydrophobicContact CB-CG 4.22Å; V129-Y228 HydrophobicContact CG1-CD1 3.9Å; V129-Y228 HydrophobicContact CG1-CD2 4.24Å; V129-Y228 HydrophobicContact CG1-CG 3.71Å; V129-Y228 HydrophobicContact CG2-CD1 4.31Å; V129-Y228 HydrophobicContact CG2-CD2 3.82Å; V129-Y228 HydrophobicContact CG2-CE1 4.31Å; V129-Y228 HydrophobicContact CG2-CE2 3.79Å; V129-Y228 HydrophobicContact CG2-CG 4.08Å; F170-Y228 HydrophobicContact CE1-CD2 4.23Å; L173-Y228 HydrophobicContact CD2-CD2 4.21Å; L173-Y228 HydrophobicContact CD2-CE2 3.81Å; L224-Y228 PolarHBondContact O-N 3.45Å; L224-Y228 VanDerWaalsContact O-N 3.17Å; L225-Y228 PolarHBondContact O-N 3.16Å; A226-Y228 VanDerWaalsContact C-N 3.34Å; A226-Y228 PolarHBondContact O-N 2.93Å; Y228-L232 HydrophobicContact CD2-CD1 4.06Å; Y228-A250 PolarHBondContact OH-O 3.29Å |
| 229 | F | 92.8 | Very high | 82.4 | Confident | 88 Ų | 88 | 61 Ų | 61 | 39% | 0.386 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -83.5 | -28.8 | -171.9 | -72.5 | -69.4 | 0 | 0 | 0 | 113.8 | L225 | L225-F229 HydrophobicContact CB-CD2 4.43Å; L225-F229 HydrophobicContact CD2-CE2 4.15Å; L225-F229 VanDerWaalsContact O-CD2 3.28Å; L225-F229 WeakPolarHBondContact O-CD2 3.48Å; L225-F229 PolarHBondContact O-N 2.87Å |
| 230 | L | 91.9 | Very high | 79.9 | Confident | 147 Ų | 147 | 62.2 Ų | 62.2 | 77% | 0.77 | 34% | 0.338 | S | S | * | . | I | π-helix | trans | -112.6 | -34.2 | -171.9 | -50.6 | 177.4 | 0 | 0 | 0 | 113.5 | A226 | A226-L230 HydrophobicContact CB-CD1 4.18Å; A226-L230 WeakPolarHBondContact O-CA 3.3Å; A226-L230 WeakPolarHBondContact O-CB 3.38Å; A226-L230 PolarHBondContact O-N 3.13Å |
| 231 | L | 90.4 | Very high | 77.3 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 22% | 0.22 | 37% | 0.371 | C | S | . | . | I | π-helix | trans | -95.7 | -43.4 | -171.8 | -172.7 | 59.3 | 0 | 0 | 0 | 113 | K37 M40 I44 A226 S227 T233 | K37-L231 HydrophobicContact CB-CD1 4.29Å; K37-L231 HydrophobicContact CG-CD1 4.32Å; M40-L231 HydrophobicContact CB-CD2 3.98Å; I44-L231 HydrophobicContact CD1-CD2 3.83Å; A226-L231 PolarHBondContact O-N 2.94Å; S227-L231 WeakPolarHBondContact O-CB 3.5Å; S227-L231 PolarHBondContact O-N 3.41Å; L231-T233 PolarHBondContact O-N 3.31Å |
| 232 | L | 89 | Confident | 74.8 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | trans | -62.9 | 132.5 | 174.4 | -88.3 | 150.7 | 0 | 0 | 0 | 110.4 | F42 L45 L173 Y177 S227 Y228 R251 | F42-L232 HydrophobicContact CD2-CD2 3.95Å; F42-L232 HydrophobicContact CE2-CD2 3.57Å; F42-L232 HydrophobicContact CZ-CD2 4.14Å; L45-L232 HydrophobicContact CD1-CD1 3.36Å; L45-L232 HydrophobicContact CG-CD1 4.4Å; L173-L232 HydrophobicContact CD2-CD1 4.48Å; Y177-L232 HydrophobicContact CE1-CD2 3.85Å; Y177-L232 HydrophobicContact CE2-CD2 4.42Å; S227-L232 PolarHBondContact O-N 2.83Å; Y228-L232 HydrophobicContact CD2-CD1 4.06Å; L232-R251 PolarHBondContact O-NH2 3.31Å | ||
| 233 | T | 83.3 | Confident | 72.1 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | trans | -106.3 | 136.8 | 175 | 47.2 | 0 | 0 | 0 | 0 | 108.6 | K37 N38 Y177 L231 | K37-T233 HydrophobicContact CD-CG2 4.31Å; N38-T233 PolarHBondContact ND2-OG1 3.02Å; N38-T233 VanDerWaalsContact ND2-OG1 3.17Å; N38-T233 PolarHBondContact OD1-N 3.48Å; N38-T233 PolarHBondContact OD1-O 2.82Å; N38-T233 PolarHBondContact OD1-OG1 3.09Å; Y177-T233 WeakPolarHBondContact CE1-O 3.33Å; Y177-T233 PolarHBondContact OH-O 3.45Å; Y177-T233 VanDerWaalsContact OH-O 3.09Å; L231-T233 PolarHBondContact O-N 3.31Å | ||
| 234 | S | 67.3 | Low | 69.6 | Low | 32 Ų | 32 | 70.1 Ų | 70.1 | 22% | 0.224 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 137.9 | 177.8 | -85.8 | 0 | 0 | 0 | 0 | 109.9 | E236 | S234-E236 PolarHBondContact O-N 3.43Š|
| 235 | P | 62.3 | Low | 67.2 | Low | 27 Ų | 27 | 75 Ų | 75 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 124.9 | 175.7 | 24.2 | -30.4 | 0 | 0 | 0 | 108.8 | F176 P237 | F176-P235 HydrophobicContact CB-CG 4.23Å; F176-P235 WeakPolarHBondContact O-CB 3.46Å; P235-P237 WeakPolarHBondContact O-CD 3.28Å |
| 236 | E | 52.2 | Low | 64.8 | Low | 164 Ų | 164 | 74.6 Ų | 74.6 | 77% | 0.766 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 121.1 | 176.2 | -158 | 161.3 | -166.5 | 0 | 0 | 107.8 | S234 Q238 | S234-E236 PolarHBondContact O-N 3.43Å; E236-Q238 PolarHBondContact O-N 3.13Å |
| 237 | P | 49 | Very low | 62.5 | Low | 57 Ų | 57 | 78.4 Ų | 78.4 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 132.9 | -171.5 | 20.3 | -25.1 | 0 | 0 | 0 | 110.2 | P235 D239 K243 | P235-P237 WeakPolarHBondContact O-CD 3.28Å; P237-D239 PolarHBondContact O-N 3.06Å; P237-K243 HydrophobicContact CG-CG 3.79Å |
| 238 | Q | 47 | Very low | 60.4 | Low | 206 Ų | 206 | 81.1 Ų | 81.1 | 96% | 0.963 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -68.9 | -7.3 | 171.5 | -71.1 | -178.2 | -7.8 | 0 | 0 | 112.5 | E236 | E236-Q238 PolarHBondContact O-N 3.13Š|
| 239 | D | 42.8 | Very low | 58.4 | Low | 119 Ų | 119 | 81.9 Ų | 81.9 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -136.5 | 131.7 | -177.5 | -132.3 | -19.4 | 0 | 0 | 0 | 112.3 | P237 G241 G242 | P237-D239 PolarHBondContact O-N 3.06Å; D239-G241 PolarHBondContact O-N 3.02Å; D239-G241 VanDerWaalsContact O-N 3.08Å; D239-G242 PolarHBondContact O-N 3.38Å |
| 240 | P | 41.9 | Very low | 56.4 | Low | 106 Ų | 106 | 78.1 Ų | 78.1 | 69% | 0.688 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.1 | -174.3 | -20.6 | 31.5 | 0 | 0 | 0 | 115.6 | ||
| 241 | G | 42.9 | Very low | 54.6 | Low | 72 Ų | 72 | 75.8 Ų | 75.8 | 74% | 0.742 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -12.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D239 | D239-G241 PolarHBondContact O-N 3.02Å; D239-G241 VanDerWaalsContact O-N 3.08Å |
| 242 | G | 43.8 | Very low | 52.3 | Low | 21 Ų | 21 | 78.3 Ų | 78.3 | 22% | 0.216 | 43% | 0.431 | C | S | . | . | trans | -95.8 | 6.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | D239 D244 E245 A246 | D239-G242 PolarHBondContact O-N 3.38Å; G242-D244 VanDerWaalsContact C-N 3.28Å; G242-D244 PolarHBondContact O-N 2.65Å; G242-E245 PolarHBondContact O-N 3.12Å; G242-E245 VanDerWaalsContact O-N 3.13Å; G242-A246 PolarHBondContact O-N 3.28Å | ||
| 243 | K | 40.3 | Very low | 49.7 | Very low | 130 Ų | 130 | 83.1 Ų | 83.1 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -55.9 | -41.2 | -176.2 | -78.8 | -177.3 | 172.7 | -177.6 | 0 | 112.7 | P237 E247 | P237-K243 HydrophobicContact CG-CG 3.79Å; K243-E247 WeakPolarHBondContact O-CB 3.44Å |
| 244 | D | 45.7 | Very low | 47.7 | Very low | 131 Ų | 131 | 88.1 Ų | 88.1 | 70% | 0.701 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -78.2 | -21.4 | -178 | -64.3 | -29.4 | 0 | 0 | 0 | 112.3 | G242 T248 | G242-D244 VanDerWaalsContact C-N 3.28Å; G242-D244 PolarHBondContact O-N 2.65Å; D244-T248 WeakPolarHBondContact O-CB 3.43Å; D244-T248 PolarHBondContact O-N 3.23Å; D244-T248 PolarHBondContact O-OG1 2.92Å |
| 245 | E | 46.7 | Very low | 46.6 | Very low | 104 Ų | 104 | 93.8 Ų | 93.8 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -91.7 | -46.1 | -168.5 | -64.7 | -177.3 | 166.6 | 0 | 0 | 113.5 | G242 T248 A249 | G242-E245 PolarHBondContact O-N 3.12Å; G242-E245 VanDerWaalsContact O-N 3.13Å; E245-T248 PolarHBondContact O-N 3.1Å; E245-A249 WeakPolarHBondContact O-CB 3.39Å; E245-A249 PolarHBondContact O-N 3.33Å |
| 246 | A | 46.7 | Very low | 45.2 | Very low | 30 Ų | 30 | 95.7 Ų | 95.7 | 25% | 0.248 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -71.1 | -34.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G242 A250 | G242-A246 PolarHBondContact O-N 3.28Å; A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 3.38Å |
| 247 | E | 47.3 | Very low | 44.4 | Very low | 113 Ų | 113 | 94.3 Ų | 94.3 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.7 | -37 | 176.7 | -151.3 | 170 | -165.2 | 0 | 0 | 111.3 | K243 R251 | K243-E247 WeakPolarHBondContact O-CB 3.44Å; E247-R251 PolarHBondContact O-N 3.48Å; E247-R251 VanDerWaalsContact O-N 3.08Å |
| 248 | T | 50.3 | Low | 43.8 | Very low | 62 Ų | 62 | 100.3 Ų | 100.3 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.4 | -42.4 | 175.3 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | D244 E245 Q252 | D244-T248 WeakPolarHBondContact O-CB 3.43Å; D244-T248 PolarHBondContact O-N 3.23Å; D244-T248 PolarHBondContact O-OG1 2.92Å; E245-T248 PolarHBondContact O-N 3.1Å; T248-Q252 HydrophobicContact CG2-CG 3.75Å; T248-Q252 VanDerWaalsContact CG2-NE2 3.28Å; T248-Q252 VanDerWaalsContact O-CB 3.31Å; T248-Q252 WeakPolarHBondContact O-CB 3.44Å; T248-Q252 WeakPolarHBondContact O-CG 3.48Å; T248-Q252 PolarHBondContact O-N 3.01Å; T248-Q252 VanDerWaalsContact O-N 3.14Å |
| 249 | A | 53 | Low | 43.1 | Very low | 24 Ų | 24 | 96.8 Ų | 96.8 | 20% | 0.198 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -67.9 | -43 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y125 E245 | Y125-A249 WeakPolarHBondContact CD2-O 3.27Å; E245-A249 WeakPolarHBondContact O-CB 3.39Å; E245-A249 PolarHBondContact O-N 3.33Å |
| 250 | A | 51.6 | Low | 42.8 | Very low | 8 Ų | 8 | 97.1 Ų | 97.1 | 7% | 0.066 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -78.4 | -28.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S126 Y228 A246 | S126-A250 PolarHBondContact OG-O 2.95Å; Y228-A250 PolarHBondContact OH-O 3.29Å; A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 3.38Å |
| 251 | R | 53.5 | Low | 42.3 | Very low | 99 Ų | 99 | 101 Ų | 101 | 37% | 0.374 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -134.9 | 15.9 | -167 | -72.1 | -171.9 | 168 | -179.4 | -3.5 | 116.8 | L232 E247 P253 | L232-R251 PolarHBondContact O-NH2 3.31Å; E247-R251 PolarHBondContact O-N 3.48Å; E247-R251 VanDerWaalsContact O-N 3.08Å; R251-P253 VanDerWaalsContact O-CD 3.28Å; R251-P253 WeakPolarHBondContact O-CD 3.44Å |
| 252 | Q | 41.1 | Very low | 42 | Very low | 95 Ų | 95 | 103.2 Ų | 103.2 | 44% | 0.444 | 58% | 0.577 | S | S | . | * | trans | -47.1 | 116.2 | 178.3 | -114.9 | 178.3 | 1.1 | 0 | 0 | 112.5 | P124 T248 | P124-Q252 HydrophobicContact CB-CB 4.15Å; P124-Q252 HydrophobicContact CG-CB 4.23Å; T248-Q252 HydrophobicContact CG2-CG 3.75Å; T248-Q252 VanDerWaalsContact CG2-NE2 3.28Å; T248-Q252 VanDerWaalsContact O-CB 3.31Å; T248-Q252 WeakPolarHBondContact O-CB 3.44Å; T248-Q252 WeakPolarHBondContact O-CG 3.48Å; T248-Q252 PolarHBondContact O-N 3.01Å; T248-Q252 VanDerWaalsContact O-N 3.14Å | ||
| 253 | P | 35.5 | Very low | 41.2 | Very low | 105 Ų | 105 | 111.5 Ų | 111.5 | 68% | 0.682 | 61% | 0.608 | S | S | * | * | trans | -73.8 | 146.9 | 177.8 | 7.6 | 0.9 | 0 | 0 | 0 | 111.2 | R251 I255 | R251-P253 VanDerWaalsContact O-CD 3.28Å; R251-P253 WeakPolarHBondContact O-CD 3.44Å; P253-I255 PolarHBondContact O-N 2.88Å; P253-I255 VanDerWaalsContact O-N 3.14Å | ||
| 254 | L | 40.7 | Very low | 41.1 | Very low | 146 Ų | 146 | 110.6 Ų | 110.6 | 76% | 0.764 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -65 | -11.7 | -178.3 | -88.2 | 150.9 | 0 | 0 | 0 | 114.8 | ||
| 255 | I | 43.7 | Very low | 40.7 | Very low | 150 Ų | 150 | 112.3 Ų | 112.3 | 77% | 0.769 | 62% | 0.624 | S | S | * | * | trans | -145.6 | 110.7 | 176.5 | -65.3 | 178.3 | 0 | 0 | 0 | 108.2 | P253 | P253-I255 PolarHBondContact O-N 2.88Å; P253-I255 VanDerWaalsContact O-N 3.14Å | ||
| 256 | G | 33 | Very low | 40 | Very low | 67 Ų | 67 | 111.3 Ų | 111.3 | 69% | 0.691 | 63% | 0.629 | S | S | * | * | trans | -138.4 | 107.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | E258 | G256-E258 VanDerWaalsContact C-N 3.3Å; G256-E258 PolarHBondContact O-N 3.39Å; G256-E258 VanDerWaalsContact O-N 3.07Å | ||
| 257 | T | 36.3 | Very low | 39.9 | Very low | 135 Ų | 135 | 114.2 Ų | 114.2 | 83% | 0.828 | 65% | 0.647 | S | S | * | * | trans | -80.3 | 68.7 | -177.6 | -45.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 258 | E | 37.1 | Very low | 39.9 | Very low | 183 Ų | 183 | 115.7 Ų | 115.7 | 86% | 0.855 | 65% | 0.648 | S | S | * | * | trans | -139.1 | 122.4 | 164.9 | -67.8 | -167.2 | 175.5 | 0 | 0 | 109.9 | G256 | G256-E258 VanDerWaalsContact C-N 3.3Å; G256-E258 PolarHBondContact O-N 3.39Å; G256-E258 VanDerWaalsContact O-N 3.07Å | ||
| 259 | T | 31.5 | Very low | 40.2 | Very low | 132 Ų | 132 | 119 Ų | 119 | 81% | 0.81 | 66% | 0.663 | S | S | * | * | trans | -57 | 127.3 | 176.8 | 39.1 | 0 | 0 | 0 | 0 | 110.3 | E261 | T259-E261 PolarHBondContact O-N 2.98Å; T259-E261 VanDerWaalsContact O-N 3.11Å | ||
| 260 | P | 37.1 | Very low | 40.7 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | trans | -72.9 | 109.3 | 175.1 | -1.9 | 16.8 | 0 | 0 | 0 | 108.7 | S262 | P260-S262 PolarHBondContact O-N 2.8Š| ||
| 261 | E | 30 | Very low | 42 | Very low | 188 Ų | 188 | 122.2 Ų | 122.2 | 88% | 0.879 | 68% | 0.68 | S | S | * | * | trans | -61.9 | 121.7 | 157.8 | -79.4 | -169.7 | 153.3 | 0 | 0 | 108.3 | T259 K263 | T259-E261 PolarHBondContact O-N 2.98Å; T259-E261 VanDerWaalsContact O-N 3.11Å; E261-K263 PolarHBondContact O-N 3.06Å; E261-K263 VanDerWaalsContact O-N 3.16Å | ||
| 262 | S | 36.5 | Very low | 43.2 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -56.7 | 110.8 | 177.5 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | P260 | P260-S262 PolarHBondContact O-N 2.8Š| ||
| 263 | K | 28.4 | Very low | 45.1 | Very low | 196 Ų | 196 | 127.2 Ų | 127.2 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | trans | -111 | 127.9 | 152.9 | -82.9 | -177 | 179.4 | 173.9 | 0 | 109.4 | E261 | E261-K263 PolarHBondContact O-N 3.06Å; E261-K263 VanDerWaalsContact O-N 3.16Å | ||
| 264 | P | 38.6 | Very low | 47.5 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | trans | -78.9 | 145.4 | -176.6 | 33 | -32.1 | 0 | 0 | 0 | 110.7 | ||||
| 265 | D | 36.1 | Very low | 49.5 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 89% | 0.888 | 66% | 0.656 | S | S | * | * | trans | 62.7 | 80.7 | 163.9 | -58.8 | -24.8 | 0 | 0 | 0 | 118.2 | ||||
| 266 | S | 33 | Very low | 51.6 | Low | 83 Ų | 83 | 118.5 Ų | 118.5 | 58% | 0.58 | 64% | 0.642 | S | S | * | * | trans | -136.1 | 94 | 157 | 39.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 267 | S | 43.7 | Very low | 54.2 | Low | 92 Ų | 92 | 120 Ų | 120 | 64% | 0.643 | 64% | 0.638 | S | S | * | * | S | Bend | 57.7 | 61.2 | 126.4 | 68 | 0 | 0 | 0 | 0 | 122.4 | |||
| 268 | W | 47.2 | Very low | 56.7 | Low | 144 Ų | 144 | 114.7 Ų | 114.7 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | trans | -140.5 | -15.1 | 163.2 | -73.2 | 90.5 | 0 | 0 | 0 | 117.2 | F176 L270 | F176-W268 HydrophobicContact CZ-CH2 4.45Å; W268-L270 PolarHBondContact O-N 3.11Å | ||
| 269 | D | 55.9 | Low | 59.2 | Low | 130 Ų | 130 | 108.5 Ų | 108.5 | 70% | 0.695 | 58% | 0.576 | S | S | * | * | trans | -90.8 | 88.1 | 175.2 | -77.1 | -35.7 | 0 | 0 | 0 | 111.3 | P271 | D269-P271 WeakPolarHBondContact O-CD 3.34Å; D269-P271 VanDerWaalsContact O-N 3.16Å | ||
| 270 | L | 64.9 | Low | 62 | Low | 23 Ų | 23 | 107.8 Ų | 107.8 | 12% | 0.12 | 56% | 0.561 | C | S | . | * | trans | -58.5 | 116.2 | 162.8 | -71.6 | 171.7 | 0 | 0 | 0 | 108.3 | W268 E274 R275 K404 H405 | W268-L270 PolarHBondContact O-N 3.11Å; L270-E274 VanDerWaalsContact CD2-CD 3.41Å; L270-E274 HydrophobicContact CD2-CG 4.1Å; L270-E274 VanDerWaalsContact CD2-OE2 3.29Å; L270-E274 WeakPolarHBondContact CD2-OE2 3.49Å; L270-R275 HydrophobicContact CB-CG 3.79Å; L270-R275 PolarHBondContact O-NE 2.92Å; L270-K404 HydrophobicContact CD2-CD 4.34Å; L270-K404 HydrophobicContact CD2-CG 4.48Å; L270-H405 WeakPolarHBondContact CD1-ND1 3.48Å; L270-H405 WeakPolarHBondContact CD2-CE1 3.41Å | ||
| 271 | P | 78.1 | Confident | 64.5 | Low | 77 Ų | 77 | 103.7 Ų | 103.7 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | trans | -56.2 | 145.8 | 176.1 | 19.4 | -29.7 | 0 | 0 | 0 | 110.1 | D269 Q273 E274 R275 | D269-P271 WeakPolarHBondContact O-CD 3.34Å; D269-P271 VanDerWaalsContact O-N 3.16Å; P271-Q273 PolarHBondContact O-N 3.44Å; P271-E274 WeakPolarHBondContact CD-OE2 3.23Å; P271-E274 HydrophobicContact CG-CB 4.1Å; P271-E274 WeakPolarHBondContact O-CB 3.39Å; P271-E274 PolarHBondContact O-N 3.35Å; P271-R275 PolarHBondContact O-N 3.01Å; P271-R275 VanDerWaalsContact O-N 3.17Å | ||
| 272 | F | 79.8 | Confident | 67.5 | Low | 140 Ų | 140 | 95.1 Ų | 95.1 | 61% | 0.614 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -51.1 | -33.2 | -176 | -179.1 | -97.7 | 0 | 0 | 0 | 113.4 | F118 R275 W276 | F118-F272 HydrophobicContact CE1-CE2 4.27Å; F272-R275 PolarHBondContact O-N 3.28Å; F272-W276 WeakPolarHBondContact O-CB 3.23Å; F272-W276 PolarHBondContact O-N 3.12Å |
| 273 | Q | 80.8 | Confident | 70.2 | Confident | 160 Ų | 160 | 92.4 Ų | 92.4 | 75% | 0.748 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.3 | -38.7 | 176.1 | -68.7 | -177.4 | -14.5 | 0 | 0 | 113.3 | P271 T277 | P271-Q273 PolarHBondContact O-N 3.44Å; Q273-T277 PolarHBondContact O-N 3.49Å; Q273-T277 PolarHBondContact O-OG1 3.02Å |
| 274 | E | 84.7 | Confident | 73.3 | Confident | 56 Ų | 56 | 88.3 Ų | 88.3 | 26% | 0.262 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.4 | -44.7 | 176.7 | -164.9 | 173 | -177.4 | 0 | 0 | 109.6 | L270 P271 W276 T277 V278 K404 H405 | L270-E274 VanDerWaalsContact CD2-CD 3.41Å; L270-E274 HydrophobicContact CD2-CG 4.1Å; L270-E274 VanDerWaalsContact CD2-OE2 3.29Å; L270-E274 WeakPolarHBondContact CD2-OE2 3.49Å; P271-E274 WeakPolarHBondContact CD-OE2 3.23Å; P271-E274 HydrophobicContact CG-CB 4.1Å; P271-E274 WeakPolarHBondContact O-CB 3.39Å; P271-E274 PolarHBondContact O-N 3.35Å; E274-W276 VanDerWaalsContact C-N 3.34Å; E274-W276 PolarHBondContact O-N 2.95Å; E274-T277 WeakPolarHBondContact O-CB 3.46Å; E274-T277 PolarHBondContact O-N 2.9Å; E274-T277 VanDerWaalsContact O-N 3.11Å; E274-V278 WeakPolarHBondContact O-CG2 3.35Å; E274-V278 PolarHBondContact O-N 2.83Å; E274-K404 IonicContact OE1-NZ 2.78Å; E274-K404 PolarHBondContact OE1-NZ 2.8Å; E274-K404 IonicContact OE2-NZ 3.51Å; E274-H405 IonicContact OE1-CE1 3.05Å; E274-H405 PolarHBondContact OE1-CE1 3.33Å; E274-H405 IonicContact OE1-NE2 3.44Å; E274-H405 PolarHBondContact OE1-NE2 2.73Å |
| 275 | R | 84.3 | Confident | 75.9 | Confident | 36 Ų | 36 | 83.6 Ų | 83.6 | 14% | 0.136 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -56.1 | -45.9 | 173.5 | -66.3 | -175.7 | -175 | -177.3 | 0.2 | 112.2 | P117 H121 L270 P271 F272 T277 V278 F279 F408 | P117-R275 PolarHBondContact O-NH1 3.31Å; H121-R275 PolarHBondContact NE2-NH2 3.46Å; L270-R275 HydrophobicContact CB-CG 3.79Å; L270-R275 PolarHBondContact O-NE 2.92Å; P271-R275 PolarHBondContact O-N 3.01Å; P271-R275 VanDerWaalsContact O-N 3.17Å; F272-R275 PolarHBondContact O-N 3.28Å; R275-T277 VanDerWaalsContact C-N 3.32Å; R275-T277 PolarHBondContact O-N 3.38Å; R275-V278 PolarHBondContact O-N 3.09Å; R275-F279 WeakPolarHBondContact O-CB 3.41Å; R275-F279 PolarHBondContact O-N 2.74Å; R275-F408 HydrophobicContact CB-CE1 4.11Å; R275-F408 HydrophobicContact CB-CE2 4.04Å; R275-F408 HydrophobicContact CB-CZ 3.69Å; R275-F408 HydrophobicContact CG-CD2 4.39Å; R275-F408 HydrophobicContact CG-CE2 4.07Å; R275-F408 HydrophobicContact CG-CZ 4.19Å; R275-F408 WeakPolarHBondContact O-CE1 3.49Å |
| 276 | W | 86.5 | Confident | 78.7 | Confident | 126 Ų | 126 | 76.3 Ų | 76.3 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.2 | -35 | 177.9 | -177.3 | -119.6 | 0 | 0 | 0 | 113 | F272 E274 F279 K280 | F272-W276 WeakPolarHBondContact O-CB 3.23Å; F272-W276 PolarHBondContact O-N 3.12Å; E274-W276 VanDerWaalsContact C-N 3.34Å; E274-W276 PolarHBondContact O-N 2.95Å; W276-F279 AromaticContact CE3-CD1 3.97Å; W276-F279 HydrophobicContact CE3-CD1 3.97Å; W276-F279 HydrophobicContact CH2-CD1 4.43Å; W276-F279 AromaticContact CZ3-CD1 3.7Å; W276-F279 HydrophobicContact CZ3-CD1 3.7Å; W276-F279 HydrophobicContact CZ3-CE1 4.04Å; W276-F279 PolarHBondContact O-N 3.44Å; W276-K280 WeakPolarHBondContact O-CB 3.42Å; W276-K280 WeakPolarHBondContact O-CG 3.2Å; W276-K280 PolarHBondContact O-N 3.22Å |
| 277 | T | 88.4 | Confident | 81.7 | Confident | 97 Ų | 97 | 76.8 Ų | 76.8 | 60% | 0.595 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68 | -44.3 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 111 | Q273 E274 R275 K280 G281 | Q273-T277 PolarHBondContact O-N 3.49Å; Q273-T277 PolarHBondContact O-OG1 3.02Å; E274-T277 WeakPolarHBondContact O-CB 3.46Å; E274-T277 PolarHBondContact O-N 2.9Å; E274-T277 VanDerWaalsContact O-N 3.11Å; R275-T277 VanDerWaalsContact C-N 3.32Å; R275-T277 PolarHBondContact O-N 3.38Å; T277-K280 PolarHBondContact O-N 3.25Å; T277-G281 PolarHBondContact O-N 2.92Å; T277-G281 VanDerWaalsContact O-N 3.09Å |
| 278 | V | 88.3 | Confident | 84.2 | Confident | 24 Ų | 24 | 73 Ų | 73 | 15% | 0.145 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 173 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | E274 R275 K280 G281 L282 H405 F408 A409 | E274-V278 WeakPolarHBondContact O-CG2 3.35Å; E274-V278 PolarHBondContact O-N 2.83Å; R275-V278 PolarHBondContact O-N 3.09Å; V278-K280 VanDerWaalsContact C-N 3.32Å; V278-K280 PolarHBondContact O-N 3.29Å; V278-G281 WeakPolarHBondContact O-CA 3.4Å; V278-G281 PolarHBondContact O-N 3.37Å; V278-L282 HydrophobicContact CG1-CD1 4.04Å; V278-L282 HydrophobicContact CG1-CG 4.46Å; V278-L282 WeakPolarHBondContact O-CG 2.9Å; V278-L282 PolarHBondContact O-N 2.85Å; V278-H405 HydrophobicContact CG1-CB 4.37Å; V278-H405 HydrophobicContact CG2-CB 4.12Å; V278-F408 HydrophobicContact CB-CD1 4.28Å; V278-F408 HydrophobicContact CB-CE1 4.18Å; V278-F408 HydrophobicContact CG1-CD1 3.93Å; V278-F408 HydrophobicContact CG1-CE1 4.13Å; V278-A409 HydrophobicContact CG1-CB 4.36Å |
| 279 | F | 89.5 | Confident | 86.6 | Confident | 54 Ų | 54 | 66.1 Ų | 66.1 | 24% | 0.237 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 178 | -177.1 | -95.4 | 0 | 0 | 0 | 112.6 | R275 W276 G281 L282 L283 I286 A412 | R275-F279 WeakPolarHBondContact O-CB 3.41Å; R275-F279 PolarHBondContact O-N 2.74Å; W276-F279 AromaticContact CE3-CD1 3.97Å; W276-F279 HydrophobicContact CE3-CD1 3.97Å; W276-F279 HydrophobicContact CH2-CD1 4.43Å; W276-F279 AromaticContact CZ3-CD1 3.7Å; W276-F279 HydrophobicContact CZ3-CD1 3.7Å; W276-F279 HydrophobicContact CZ3-CE1 4.04Å; W276-F279 PolarHBondContact O-N 3.44Å; F279-G281 VanDerWaalsContact C-N 3.31Å; F279-G281 PolarHBondContact O-N 3.17Å; F279-L282 PolarHBondContact O-N 2.98Å; F279-L282 VanDerWaalsContact O-N 3.1Å; F279-L283 HydrophobicContact CE1-CD2 3.9Å; F279-L283 HydrophobicContact CZ-CD2 4.27Å; F279-L283 PolarHBondContact O-N 2.71Å; F279-I286 HydrophobicContact CD2-CD1 4.21Å; F279-I286 HydrophobicContact CE2-CD1 3.72Å; F279-I286 HydrophobicContact CZ-CD1 4.14Å; F279-A412 HydrophobicContact CD2-CB 4.05Å |
| 280 | K | 90.8 | Very high | 88.6 | Confident | 116 Ų | 116 | 60.7 Ų | 60.7 | 50% | 0.504 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 174.2 | -82.7 | 176.5 | 165.9 | 174 | 0 | 112.5 | W276 T277 V278 L282 L283 | W276-K280 WeakPolarHBondContact O-CB 3.42Å; W276-K280 WeakPolarHBondContact O-CG 3.2Å; W276-K280 PolarHBondContact O-N 3.22Å; T277-K280 PolarHBondContact O-N 3.25Å; V278-K280 VanDerWaalsContact C-N 3.32Å; V278-K280 PolarHBondContact O-N 3.29Å; K280-L282 VanDerWaalsContact C-N 3.27Å; K280-L282 PolarHBondContact O-N 3.24Å; K280-L283 WeakPolarHBondContact O-CB 3.45Å; K280-L283 PolarHBondContact O-N 3.15Å |
| 281 | G | 90.1 | Very high | 90.1 | Very high | 41 Ų | 41 | 63.1 Ų | 63.1 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.1 | -40 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T277 V278 F279 L283 H284 | T277-G281 PolarHBondContact O-N 2.92Å; T277-G281 VanDerWaalsContact O-N 3.09Å; V278-G281 WeakPolarHBondContact O-CA 3.4Å; V278-G281 PolarHBondContact O-N 3.37Å; F279-G281 VanDerWaalsContact C-N 3.31Å; F279-G281 PolarHBondContact O-N 3.17Å; G281-L283 VanDerWaalsContact C-N 3.28Å; G281-L283 PolarHBondContact O-N 3.46Å; G281-H284 PolarHBondContact O-CD2 3.46Å; G281-H284 PolarHBondContact O-NE2 3.07Å |
| 282 | L | 92.8 | Very high | 91 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.2 | -11.8 | -179 | -62.9 | 169.1 | 0 | 0 | 0 | 114.5 | V278 F279 K280 H284 Y285 I286 V397 A409 A412 | V278-L282 HydrophobicContact CG1-CD1 4.04Å; V278-L282 HydrophobicContact CG1-CG 4.46Å; V278-L282 WeakPolarHBondContact O-CG 2.9Å; V278-L282 PolarHBondContact O-N 2.85Å; F279-L282 PolarHBondContact O-N 2.98Å; F279-L282 VanDerWaalsContact O-N 3.1Å; K280-L282 VanDerWaalsContact C-N 3.27Å; K280-L282 PolarHBondContact O-N 3.24Å; L282-H284 PolarHBondContact O-N 3.11Å; L282-H284 VanDerWaalsContact O-N 3.13Å; L282-Y285 HydrophobicContact CD2-CD2 4.47Å; L282-Y285 WeakPolarHBondContact O-CA 3.44Å; L282-Y285 WeakPolarHBondContact O-CB 3.45Å; L282-Y285 PolarHBondContact O-N 3.02Å; L282-I286 HydrophobicContact CB-CD1 3.9Å; L282-I286 HydrophobicContact CB-CG1 4.33Å; L282-I286 WeakPolarHBondContact O-CG1 3.39Å; L282-I286 PolarHBondContact O-N 3.11Å; L282-V397 HydrophobicContact CD2-CG1 4Å; L282-V397 HydrophobicContact CD2-CG2 3.99Å; L282-A409 HydrophobicContact CD1-CB 3.66Å; L282-A409 HydrophobicContact CD2-CB 4.13Å; L282-A409 HydrophobicContact CG-CB 4.47Å; L282-A412 HydrophobicContact CD1-CB 4.09Å |
| 283 | L | 92.9 | Very high | 91.8 | Very high | 60 Ų | 60 | 53 Ų | 53 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58 | -30.9 | -177.1 | -74.8 | 175.8 | 0 | 0 | 0 | 113.4 | F279 K280 G281 Y285 I286 I287 | F279-L283 HydrophobicContact CE1-CD2 3.9Å; F279-L283 HydrophobicContact CZ-CD2 4.27Å; F279-L283 PolarHBondContact O-N 2.71Å; K280-L283 WeakPolarHBondContact O-CB 3.45Å; K280-L283 PolarHBondContact O-N 3.15Å; G281-L283 VanDerWaalsContact C-N 3.28Å; G281-L283 PolarHBondContact O-N 3.46Å; L283-Y285 PolarHBondContact O-N 2.87Å; L283-I286 PolarHBondContact O-N 3.17Å; L283-I287 HydrophobicContact CB-CD1 4.26Å; L283-I287 WeakPolarHBondContact O-CB 3.44Å; L283-I287 WeakPolarHBondContact O-CG1 3.4Å; L283-I287 PolarHBondContact O-N 3.27Å |
| 284 | H | 93.3 | Very high | 92.5 | Very high | 111 Ų | 111 | 47.1 Ų | 47.1 | 51% | 0.514 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.3 | -14.2 | 176.5 | 70.2 | 74.2 | 0 | 0 | 0 | 113.7 | G281 L282 P288 | G281-H284 PolarHBondContact O-CD2 3.46Å; G281-H284 PolarHBondContact O-NE2 3.07Å; L282-H284 PolarHBondContact O-N 3.11Å; L282-H284 VanDerWaalsContact O-N 3.13Å; H284-P288 VanDerWaalsContact O-CD 3.23Å; H284-P288 WeakPolarHBondContact O-CD 3.43Å; H284-P288 VanDerWaalsContact O-CG 3.23Å; H284-P288 WeakPolarHBondContact O-CG 3.3Å |
| 285 | Y | 93.9 | Very high | 93 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -96.6 | -43.8 | 168.9 | -72.3 | -54.9 | 0 | 0 | 0 | 111.7 | L282 L283 P288 L289 I346 T393 N396 V397 E400 | L282-Y285 HydrophobicContact CD2-CD2 4.47Å; L282-Y285 WeakPolarHBondContact O-CA 3.44Å; L282-Y285 WeakPolarHBondContact O-CB 3.45Å; L282-Y285 PolarHBondContact O-N 3.02Å; L283-Y285 PolarHBondContact O-N 2.87Å; Y285-P288 WeakPolarHBondContact O-CD 3.36Å; Y285-L289 VanDerWaalsContact O-CB 3.3Å; Y285-L289 WeakPolarHBondContact O-CB 3.48Å; Y285-L289 PolarHBondContact O-N 3.43Å; Y285-L289 VanDerWaalsContact O-N 3.12Å; Y285-I346 HydrophobicContact CD1-CG1 4Å; Y285-I346 HydrophobicContact CE1-CG1 4.14Å; Y285-T393 HydrophobicContact CD1-CG2 4.31Å; Y285-T393 HydrophobicContact CG-CG2 4.29Å; Y285-N396 HydrophobicContact CE1-CB 3.81Å; Y285-V397 HydrophobicContact CD2-CG2 3.59Å; Y285-V397 HydrophobicContact CE2-CG2 4.09Å; Y285-V397 HydrophobicContact CG-CG2 3.99Å; Y285-E400 WeakPolarHBondContact CE2-OE2 3.45Å; Y285-E400 PolarHBondContact OH-OE1 3.13Å; Y285-E400 PolarHBondContact OH-OE2 3.19Å |
| 286 | I | 94.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -50.3 | -178 | -66.8 | 170.8 | 0 | 0 | 0 | 111 | F279 L282 L283 L289 V290 S416 | F279-I286 HydrophobicContact CD2-CD1 4.21Å; F279-I286 HydrophobicContact CE2-CD1 3.72Å; F279-I286 HydrophobicContact CZ-CD1 4.14Å; L282-I286 HydrophobicContact CB-CD1 3.9Å; L282-I286 HydrophobicContact CB-CG1 4.33Å; L282-I286 WeakPolarHBondContact O-CG1 3.39Å; L282-I286 PolarHBondContact O-N 3.11Å; L283-I286 PolarHBondContact O-N 3.17Å; I286-L289 PolarHBondContact O-N 3.43Å; I286-V290 HydrophobicContact CG2-CG2 4.13Å; I286-V290 VanDerWaalsContact O-CG2 3.24Å; I286-V290 WeakPolarHBondContact O-CG2 3.24Å; I286-V290 PolarHBondContact O-N 2.9Å; I286-S416 WeakPolarHBondContact CA-OG 3.41Å; I286-S416 WeakPolarHBondContact CG1-OG 3.31Å; I286-S416 WeakPolarHBondContact CG2-OG 3.36Å |
| 287 | I | 96.1 | Very high | 93.7 | Very high | 93 Ų | 93 | 38.7 Ų | 38.7 | 48% | 0.477 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.6 | -51.1 | -174.8 | -65.3 | 166.9 | 0 | 0 | 0 | 111.5 | L283 L289 V290 L291 | L283-I287 HydrophobicContact CB-CD1 4.26Å; L283-I287 WeakPolarHBondContact O-CB 3.44Å; L283-I287 WeakPolarHBondContact O-CG1 3.4Å; L283-I287 PolarHBondContact O-N 3.27Å; I287-L289 VanDerWaalsContact C-N 3.3Å; I287-L289 PolarHBondContact O-N 3.06Å; I287-V290 PolarHBondContact O-N 3.25Å; I287-L291 HydrophobicContact CG2-CD1 4.24Å; I287-L291 WeakPolarHBondContact O-CG 3.37Å; I287-L291 PolarHBondContact O-N 3.4Å |
| 288 | P | 96.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 35 Ų | 35 | 8% | 0.078 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 173.7 | -30.9 | 39.8 | 0 | 0 | 0 | 113.7 | H284 Y285 L291 V292 I346 W347 A350 | H284-P288 VanDerWaalsContact O-CD 3.23Å; H284-P288 WeakPolarHBondContact O-CD 3.43Å; H284-P288 VanDerWaalsContact O-CG 3.23Å; H284-P288 WeakPolarHBondContact O-CG 3.3Å; Y285-P288 WeakPolarHBondContact O-CD 3.36Å; P288-L291 PolarHBondContact O-N 3.11Å; P288-V292 WeakPolarHBondContact O-CG2 3.28Å; P288-V292 PolarHBondContact O-N 3.29Å; P288-I346 HydrophobicContact CB-CB 4.32Å; P288-I346 HydrophobicContact CB-CG2 3.9Å; P288-W347 HydrophobicContact CG-CB 4.07Å; P288-A350 HydrophobicContact CB-CB 3.99Å |
| 289 | L | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | -178.5 | -169 | 61.8 | 0 | 0 | 0 | 111.6 | Y285 I286 I287 L291 V292 Y293 A389 T393 | Y285-L289 VanDerWaalsContact O-CB 3.3Å; Y285-L289 WeakPolarHBondContact O-CB 3.48Å; Y285-L289 PolarHBondContact O-N 3.43Å; Y285-L289 VanDerWaalsContact O-N 3.12Å; I286-L289 PolarHBondContact O-N 3.43Å; I287-L289 VanDerWaalsContact C-N 3.3Å; I287-L289 PolarHBondContact O-N 3.06Å; L289-L291 VanDerWaalsContact C-N 3.29Å; L289-L291 PolarHBondContact O-N 2.9Å; L289-V292 PolarHBondContact O-N 2.96Å; L289-Y293 HydrophobicContact CD1-CD2 3.76Å; L289-Y293 HydrophobicContact CD1-CE2 3.62Å; L289-Y293 HydrophobicContact CG-CD2 3.99Å; L289-Y293 HydrophobicContact CG-CE2 4.15Å; L289-Y293 WeakPolarHBondContact O-CD2 3.39Å; L289-Y293 PolarHBondContact O-N 3.42Å; L289-A389 HydrophobicContact CD1-CB 4.11Å; L289-T393 HydrophobicContact CD2-CG2 3.82Å |
| 290 | V | 97.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.3 | -45.5 | 171.4 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | I286 I287 F294 S416 L419 M423 | I286-V290 HydrophobicContact CG2-CG2 4.13Å; I286-V290 VanDerWaalsContact O-CG2 3.24Å; I286-V290 WeakPolarHBondContact O-CG2 3.24Å; I286-V290 PolarHBondContact O-N 2.9Å; I287-V290 PolarHBondContact O-N 3.25Å; V290-F294 WeakPolarHBondContact O-CB 3.49Å; V290-F294 PolarHBondContact O-N 3.42Å; V290-S416 VanDerWaalsContact CG2-O 3.29Å; V290-S416 WeakPolarHBondContact CG2-O 3.19Å; V290-L419 HydrophobicContact CG1-CG 4.5Å; V290-L419 HydrophobicContact CG2-CB 4.4Å; V290-L419 HydrophobicContact CG2-CD2 4.06Å; V290-L419 HydrophobicContact CG2-CG 4.47Å; V290-M423 HydrophobicContact CG1-SD 4.34Å |
| 291 | L | 97.3 | Very high | 93 | Very high | 73 Ų | 73 | 26.8 Ų | 26.8 | 38% | 0.382 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -66.5 | -41.6 | -179.4 | -71.4 | 174.3 | 0 | 0 | 0 | 112.8 | I287 P288 L289 A295 A350 | I287-L291 HydrophobicContact CG2-CD1 4.24Å; I287-L291 WeakPolarHBondContact O-CG 3.37Å; I287-L291 PolarHBondContact O-N 3.4Å; P288-L291 PolarHBondContact O-N 3.11Å; L289-L291 VanDerWaalsContact C-N 3.29Å; L289-L291 PolarHBondContact O-N 2.9Å; L291-A295 WeakPolarHBondContact O-CB 3.29Å; L291-A295 PolarHBondContact O-N 2.87Å; L291-A350 HydrophobicContact CB-CB 4.16Å |
| 292 | V | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -53.9 | 175.2 | 172 | 0 | 0 | 0 | 0 | 109.9 | P288 L289 F294 A295 E296 L349 A350 Q353 A389 | P288-V292 WeakPolarHBondContact O-CG2 3.28Å; P288-V292 PolarHBondContact O-N 3.29Å; L289-V292 PolarHBondContact O-N 2.96Å; V292-F294 VanDerWaalsContact C-N 3.34Å; V292-F294 PolarHBondContact O-N 3.16Å; V292-A295 PolarHBondContact O-N 2.91Å; V292-E296 WeakPolarHBondContact O-CB 3.37Å; V292-E296 PolarHBondContact O-N 3.42Å; V292-L349 HydrophobicContact CG2-CB 4.46Å; V292-A350 VanDerWaalsContact CG2-CA 3.44Å; V292-A350 HydrophobicContact CG2-CB 3.85Å; V292-Q353 HydrophobicContact CG1-CG 4.23Å; V292-Q353 HydrophobicContact CG2-CB 4.41Å; V292-A389 HydrophobicContact CB-CB 4.19Å; V292-A389 HydrophobicContact CG1-CB 3.84Å; V292-A389 HydrophobicContact CG2-CB 3.87Å |
| 293 | Y | 95.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65 | -37 | -178.1 | -89.9 | -84.1 | 0 | 0 | 0 | 113 | L289 Y297 R335 Y390 D417 I421 | L289-Y293 HydrophobicContact CD1-CD2 3.76Å; L289-Y293 HydrophobicContact CD1-CE2 3.62Å; L289-Y293 HydrophobicContact CG-CD2 3.99Å; L289-Y293 HydrophobicContact CG-CE2 4.15Å; L289-Y293 WeakPolarHBondContact O-CD2 3.39Å; L289-Y293 PolarHBondContact O-N 3.42Å; Y293-Y297 HydrophobicContact CD1-CD2 4.04Å; Y293-Y297 AromaticContact CD1-CE2 3.72Å; Y293-Y297 HydrophobicContact CD1-CE2 3.72Å; Y293-Y297 AromaticContact CE1-CE2 3.99Å; Y293-Y297 HydrophobicContact CE1-CE2 3.99Å; Y293-Y297 WeakPolarHBondContact O-CB 3.35Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.43Å; Y293-Y297 PolarHBondContact O-N 3.44Å; Y293-R335 PolarHBondContact OH-NH2 3.11Å; Y293-Y390 HydrophobicContact CE2-CD2 4.16Å; Y293-Y390 AromaticContact CZ-CD2 3.94Å; Y293-Y390 WeakPolarHBondContact OH-CD2 3.42Å; Y293-D417 HydrophobicContact CD1-CB 3.9Å; Y293-D417 HydrophobicContact CD2-CB 3.7Å; Y293-D417 HydrophobicContact CE1-CB 3.87Å; Y293-D417 HydrophobicContact CE2-CB 3.7Å; Y293-D417 HydrophobicContact CG-CB 3.8Å; Y293-I421 HydrophobicContact CD1-CD1 3.85Å; Y293-I421 HydrophobicContact CD1-CG1 3.82Å; Y293-I421 HydrophobicContact CE1-CD1 4.26Å |
| 294 | F | 95.5 | Very high | 91.4 | Very high | 37 Ų | 37 | 22 Ų | 22 | 16% | 0.162 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.2 | -55.9 | 172 | 169.9 | -99.8 | 0 | 0 | 0 | 111.1 | V290 V292 Y297 F298 L357 G420 M423 S424 L427 | V290-F294 WeakPolarHBondContact O-CB 3.49Å; V290-F294 PolarHBondContact O-N 3.42Å; V292-F294 VanDerWaalsContact C-N 3.34Å; V292-F294 PolarHBondContact O-N 3.16Å; F294-Y297 PolarHBondContact O-N 2.69Å; F294-F298 HydrophobicContact CE2-CD2 4.3Å; F294-F298 HydrophobicContact CZ-CD2 4.19Å; F294-F298 WeakPolarHBondContact O-CB 3.36Å; F294-F298 PolarHBondContact O-N 3.32Å; F294-L357 HydrophobicContact CE1-CD2 4.34Å; F294-G420 WeakPolarHBondContact CA-O 3.09Å; F294-M423 HydrophobicContact CD2-CB 3.93Å; F294-M423 HydrophobicContact CE2-CB 4.41Å; F294-S424 WeakPolarHBondContact O-CB 3.14Å; F294-L427 HydrophobicContact CE2-CD1 3.75Å; F294-L427 HydrophobicContact CZ-CD1 3.89Å |
| 295 | A | 95.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L291 V292 F298 I299 Q353 L357 | L291-A295 WeakPolarHBondContact O-CB 3.29Å; L291-A295 PolarHBondContact O-N 2.87Å; V292-A295 PolarHBondContact O-N 2.91Å; A295-F298 PolarHBondContact O-N 2.81Å; A295-I299 WeakPolarHBondContact O-CD1 3.26Å; A295-I299 VanDerWaalsContact O-CG1 3.22Å; A295-I299 WeakPolarHBondContact O-CG1 3.36Å; A295-I299 PolarHBondContact O-N 2.97Å; A295-Q353 HydrophobicContact CB-CB 4.41Å; A295-Q353 HydrophobicContact CB-CG 3.7Å; A295-L357 HydrophobicContact CB-CB 4.13Å; A295-L357 HydrophobicContact CB-CD2 4.02Å |
| 296 | E | 94.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -53.8 | -57.2 | 173.1 | 179.8 | 177.6 | 102.6 | 0 | 0 | 112.6 | V292 F298 I299 N300 Y327 Q353 E382 G386 | V292-E296 WeakPolarHBondContact O-CB 3.37Å; V292-E296 PolarHBondContact O-N 3.42Å; E296-F298 PolarHBondContact O-N 3.41Å; E296-I299 WeakPolarHBondContact O-CB 3.35Å; E296-I299 PolarHBondContact O-N 2.94Å; E296-N300 PolarHBondContact O-N 3.34Å; E296-N300 PolarHBondContact O-ND2 3.22Å; E296-Y327 HydrophobicContact CG-CE2 3.71Å; E296-Y327 PolarHBondContact OE1-OH 3.31Å; E296-Q353 VanDerWaalsContact CA-NE2 3.32Å; E296-Q353 VanDerWaalsContact CB-NE2 3.34Å; E296-E382 WeakPolarHBondContact CG-OE1 3.22Å; E296-G386 WeakPolarHBondContact OE2-CA 3.18Å |
| 297 | Y | 90.6 | Very high | 88.6 | Confident | 41 Ų | 41 | 18.2 Ų | 18.2 | 16% | 0.161 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.7 | -26.8 | -176.3 | -84.3 | -109 | 0 | 0 | 0 | 112 | L102 Y293 F294 N300 Q301 I421 S424 | L102-Y297 HydrophobicContact CD1-CE1 4.49Å; L102-Y297 HydrophobicContact CD2-CD1 4.13Å; Y293-Y297 HydrophobicContact CD1-CD2 4.04Å; Y293-Y297 AromaticContact CD1-CE2 3.72Å; Y293-Y297 HydrophobicContact CD1-CE2 3.72Å; Y293-Y297 AromaticContact CE1-CE2 3.99Å; Y293-Y297 HydrophobicContact CE1-CE2 3.99Å; Y293-Y297 WeakPolarHBondContact O-CB 3.35Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.43Å; Y293-Y297 PolarHBondContact O-N 3.44Å; F294-Y297 PolarHBondContact O-N 2.69Å; Y297-N300 PolarHBondContact O-N 3.44Å; Y297-Q301 WeakPolarHBondContact O-CB 3.38Å; Y297-Q301 WeakPolarHBondContact O-CG 3.24Å; Y297-Q301 PolarHBondContact O-N 3.39Å; Y297-I421 HydrophobicContact CD1-CB 4.25Å; Y297-I421 HydrophobicContact CD1-CD1 4.49Å; Y297-I421 HydrophobicContact CD1-CG1 3.88Å; Y297-I421 HydrophobicContact CD1-CG2 3.54Å; Y297-I421 HydrophobicContact CD2-CD1 4.27Å; Y297-I421 HydrophobicContact CD2-CG1 3.58Å; Y297-I421 HydrophobicContact CE1-CD1 4.02Å; Y297-I421 HydrophobicContact CE1-CG1 3.92Å; Y297-I421 HydrophobicContact CE1-CG2 3.79Å; Y297-I421 HydrophobicContact CE2-CD1 3.76Å; Y297-I421 HydrophobicContact CE2-CG1 3.61Å; Y297-I421 HydrophobicContact CG-CB 4.28Å; Y297-I421 HydrophobicContact CG-CG1 3.71Å; Y297-I421 HydrophobicContact CG-CG2 4.03Å; Y297-S424 PolarHBondContact O-OG 3.47Å |
| 298 | F | 90.4 | Very high | 87.9 | Confident | 20 Ų | 20 | 17.7 Ų | 17.7 | 9% | 0.088 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69.5 | -37.9 | 175.9 | -165.1 | -87 | 0 | 0 | 0 | 111.3 | F294 A295 E296 G302 L303 L357 S424 L427 A428 L431 | F294-F298 HydrophobicContact CE2-CD2 4.3Å; F294-F298 HydrophobicContact CZ-CD2 4.19Å; F294-F298 WeakPolarHBondContact O-CB 3.36Å; F294-F298 PolarHBondContact O-N 3.32Å; A295-F298 PolarHBondContact O-N 2.81Å; E296-F298 PolarHBondContact O-N 3.41Å; F298-G302 WeakPolarHBondContact O-CA 3.4Å; F298-G302 PolarHBondContact O-N 2.92Å; F298-L303 HydrophobicContact CD1-CG 4.47Å; F298-L303 HydrophobicContact CE1-CD2 4.42Å; F298-L303 PolarHBondContact O-N 3.3Å; F298-L357 HydrophobicContact CD1-CD1 3.51Å; F298-L357 HydrophobicContact CD1-CD2 4.37Å; F298-L357 HydrophobicContact CE1-CD1 4.16Å; F298-L357 HydrophobicContact CG-CD1 4.41Å; F298-S424 WeakPolarHBondContact CA-OG 3.22Å; F298-S424 WeakPolarHBondContact CB-OG 3.47Å; F298-S424 PolarHBondContact N-OG 2.92Å; F298-L427 HydrophobicContact CD2-CB 4.43Å; F298-L427 HydrophobicContact CE2-CB 3.87Å; F298-A428 HydrophobicContact CD2-CB 4.46Å; F298-A428 HydrophobicContact CE2-CB 4.44Å; F298-L431 HydrophobicContact CE1-CD2 3.48Å; F298-L431 VanDerWaalsContact CE1-CD2 3.48Å; F298-L431 HydrophobicContact CE2-CD2 4.39Å; F298-L431 HydrophobicContact CZ-CB 4.32Å; F298-L431 HydrophobicContact CZ-CD2 3.3Å; F298-L431 HydrophobicContact CZ-CG 4.36Å |
| 299 | I | 90.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | I | π-helix | trans | -62 | -55.7 | 169.8 | -68.8 | 162.5 | 0 | 0 | 0 | 109.7 | A295 E296 Q301 L303 F304 L357 L360 E382 | A295-I299 WeakPolarHBondContact O-CD1 3.26Å; A295-I299 VanDerWaalsContact O-CG1 3.22Å; A295-I299 WeakPolarHBondContact O-CG1 3.36Å; A295-I299 PolarHBondContact O-N 2.97Å; E296-I299 WeakPolarHBondContact O-CB 3.35Å; E296-I299 PolarHBondContact O-N 2.94Å; I299-Q301 VanDerWaalsContact C-N 3.28Å; I299-Q301 PolarHBondContact O-N 2.95Å; I299-L303 HydrophobicContact CG1-CD1 4.4Å; I299-L303 PolarHBondContact O-N 2.61Å; I299-F304 HydrophobicContact CG2-CD1 3.76Å; I299-F304 HydrophobicContact CG2-CE1 3.18Å; I299-F304 HydrophobicContact CG2-CZ 3.76Å; I299-F304 WeakPolarHBondContact O-CD1 3.35Å; I299-F304 PolarHBondContact O-N 2.88Å; I299-L357 HydrophobicContact CD1-CB 4Å; I299-L357 HydrophobicContact CG1-CB 4.1Å; I299-L357 HydrophobicContact CG1-CD1 3.78Å; I299-L360 HydrophobicContact CB-CD1 4.42Å; I299-L360 HydrophobicContact CD1-CD1 4.11Å; I299-L360 HydrophobicContact CG1-CD1 4.07Å; I299-L360 HydrophobicContact CG2-CD1 3.48Å; I299-L360 VanDerWaalsContact CG2-CD1 3.48Å; I299-E382 HydrophobicContact CD1-CG 4.19Å; I299-E382 WeakPolarHBondContact CG2-OE2 3.3Å |
| 300 | N | 86.4 | Confident | 86 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -58.7 | -35.5 | -174.1 | -79.2 | -55.5 | 0 | 0 | 0 | 114 | E296 Y297 F304 Y327 E382 | E296-N300 PolarHBondContact O-N 3.34Å; E296-N300 PolarHBondContact O-ND2 3.22Å; Y297-N300 PolarHBondContact O-N 3.44Å; N300-F304 HydrophobicContact CB-CD2 4.43Å; N300-F304 HydrophobicContact CB-CE2 4.41Å; N300-F304 WeakPolarHBondContact OD1-CE2 3.27Å; N300-F304 WeakPolarHBondContact OD1-CZ 3.22Å; N300-Y327 WeakPolarHBondContact ND2-CE2 3.47Å; N300-E382 PolarHBondContact ND2-OE1 2.96Å |
| 301 | Q | 76.5 | Confident | 84.9 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -113.5 | -28.9 | -171.1 | -58.8 | -177 | 7.7 | 0 | 0 | 114.1 | L102 Y297 I299 | L102-Q301 VanDerWaalsContact CD2-CD 3.47Å; L102-Q301 VanDerWaalsContact CG-NE2 3.27Å; Y297-Q301 WeakPolarHBondContact O-CB 3.38Å; Y297-Q301 WeakPolarHBondContact O-CG 3.24Å; Y297-Q301 PolarHBondContact O-N 3.39Å; I299-Q301 VanDerWaalsContact C-N 3.28Å; I299-Q301 PolarHBondContact O-N 2.95Å |
| 302 | G | 76.9 | Confident | 84 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -90.2 | -35.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F298 L306 | F298-G302 WeakPolarHBondContact O-CA 3.4Å; F298-G302 PolarHBondContact O-N 2.92Å; G302-L306 WeakPolarHBondContact O-CD1 3.42Å |
| 303 | L | 82.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -110.9 | -35.2 | -168.7 | -54.1 | -174.4 | 0 | 0 | 0 | 114.2 | F298 I299 E305 L306 L307 L357 L360 L361 V364 L431 | F298-L303 HydrophobicContact CD1-CG 4.47Å; F298-L303 HydrophobicContact CE1-CD2 4.42Å; F298-L303 PolarHBondContact O-N 3.3Å; I299-L303 HydrophobicContact CG1-CD1 4.4Å; I299-L303 PolarHBondContact O-N 2.61Å; L303-E305 VanDerWaalsContact C-N 3.32Å; L303-E305 PolarHBondContact O-N 3.26Å; L303-L306 WeakPolarHBondContact O-CA 3.19Å; L303-L306 WeakPolarHBondContact O-CB 3.4Å; L303-L306 PolarHBondContact O-N 3.37Å; L303-L307 HydrophobicContact CB-CD1 4.41Å; L303-L307 WeakPolarHBondContact O-CG 3.48Å; L303-L307 PolarHBondContact O-N 2.9Å; L303-L357 HydrophobicContact CD1-CD1 3.72Å; L303-L360 HydrophobicContact CD1-CB 4.08Å; L303-L361 HydrophobicContact CD1-CB 4.17Å; L303-L361 HydrophobicContact CD1-CD1 4.39Å; L303-L361 HydrophobicContact CD2-CD1 3.74Å; L303-V364 HydrophobicContact CB-CG2 4.43Å; L303-V364 HydrophobicContact CD2-CG2 4.3Å; L303-L431 HydrophobicContact CD2-CD2 4.11Å |
| 304 | F | 81.4 | Confident | 82.4 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -36.8 | -175.2 | -80.9 | 3.3 | 0 | 0 | 0 | 114.8 | I299 N300 L306 L307 Y320 Y323 V379 E382 | I299-F304 HydrophobicContact CG2-CD1 3.76Å; I299-F304 HydrophobicContact CG2-CE1 3.18Å; I299-F304 HydrophobicContact CG2-CZ 3.76Å; I299-F304 WeakPolarHBondContact O-CD1 3.35Å; I299-F304 PolarHBondContact O-N 2.88Å; N300-F304 HydrophobicContact CB-CD2 4.43Å; N300-F304 HydrophobicContact CB-CE2 4.41Å; N300-F304 WeakPolarHBondContact OD1-CE2 3.27Å; N300-F304 WeakPolarHBondContact OD1-CZ 3.22Å; F304-L306 PolarHBondContact O-N 3.41Å; F304-L307 HydrophobicContact CD1-CD1 4.19Å; F304-L307 PolarHBondContact O-N 2.81Å; F304-Y320 HydrophobicContact CB-CD2 4.21Å; F304-Y320 HydrophobicContact CB-CE2 4.13Å; F304-Y323 HydrophobicContact CB-CD2 4.33Å; F304-Y323 HydrophobicContact CD2-CD2 4.48Å; F304-Y323 HydrophobicContact CG-CD2 4.26Å; F304-V379 HydrophobicContact CE1-CG2 3.5Å; F304-V379 VanDerWaalsContact CE1-CG2 3.5Å; F304-V379 HydrophobicContact CE2-CG1 4.01Å; F304-V379 HydrophobicContact CE2-CG2 4.37Å; F304-V379 HydrophobicContact CZ-CB 4.08Å; F304-V379 HydrophobicContact CZ-CG1 3.58Å; F304-V379 HydrophobicContact CZ-CG2 3.4Å; F304-E382 WeakPolarHBondContact CZ-OE2 3.47Å |
| 305 | E | 71.7 | Confident | 81.7 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.7 | 176.5 | -65.2 | -171.7 | 171.4 | 0 | 0 | 111.9 | T98 L303 H316 Y320 | T98-E305 VanDerWaalsContact CB-OE1 3.29Å; T98-E305 WeakPolarHBondContact CB-OE1 3.28Å; T98-E305 PolarHBondContact OG1-OE1 3.46Å; L303-E305 VanDerWaalsContact C-N 3.32Å; L303-E305 PolarHBondContact O-N 3.26Å; E305-H316 PolarHBondContact O-NE2 3.46Å; E305-Y320 HydrophobicContact CG-CD2 4.4Å; E305-Y320 HydrophobicContact CG-CE2 4.09Å |
| 306 | L | 74.6 | Confident | 80.6 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -24.8 | -176.9 | -53.8 | 176.8 | 0 | 0 | 0 | 112.9 | F91 G302 L303 F304 F308 V364 L435 | F91-L306 HydrophobicContact CB-CD2 4.08Å; F91-L306 HydrophobicContact CD1-CB 4.15Å; F91-L306 HydrophobicContact CD1-CD2 3.78Å; F91-L306 HydrophobicContact CE1-CB 4.07Å; F91-L306 HydrophobicContact CE1-CD2 4.39Å; F91-L306 HydrophobicContact CG-CD2 3.95Å; G302-L306 WeakPolarHBondContact O-CD1 3.42Å; L303-L306 WeakPolarHBondContact O-CA 3.19Å; L303-L306 WeakPolarHBondContact O-CB 3.4Å; L303-L306 PolarHBondContact O-N 3.37Å; F304-L306 PolarHBondContact O-N 3.41Å; L306-F308 VanDerWaalsContact C-N 3.32Å; L306-F308 PolarHBondContact O-N 3.41Å; L306-V364 HydrophobicContact CB-CG1 4.37Å; L306-V364 HydrophobicContact CD1-CG1 4.28Å; L306-L435 HydrophobicContact CD1-CB 4.45Å; L306-L435 HydrophobicContact CD1-CD1 3.3Å; L306-L435 HydrophobicContact CD1-CG 4.45Å |
| 307 | L | 78.3 | Confident | 79.4 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | trans | -77 | 76.9 | 178.9 | -71.5 | 171.1 | 0 | 0 | 0 | 111.4 | L303 F304 Y323 L360 V364 | L303-L307 HydrophobicContact CB-CD1 4.41Å; L303-L307 WeakPolarHBondContact O-CG 3.48Å; L303-L307 PolarHBondContact O-N 2.9Å; F304-L307 HydrophobicContact CD1-CD1 4.19Å; F304-L307 PolarHBondContact O-N 2.81Å; L307-Y323 HydrophobicContact CB-CE2 4.47Å; L307-Y323 WeakPolarHBondContact O-CE2 3.37Å; L307-Y323 PolarHBondContact O-OH 3.09Å; L307-L360 HydrophobicContact CD1-CD2 4.09Å; L307-V364 HydrophobicContact CD2-CG2 3.6Å; L307-V364 HydrophobicContact CG-CG2 3.93Å | ||
| 308 | F | 79.8 | Confident | 78.6 | Confident | 81 Ų | 81 | 50.1 Ų | 50.1 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | trans | -110.6 | 126.7 | -178.6 | 178.8 | -130.4 | 0 | 0 | 0 | 113.9 | L306 R310 H316 | L306-F308 VanDerWaalsContact C-N 3.32Å; L306-F308 PolarHBondContact O-N 3.41Å; F308-R310 HydrophobicContact CD1-CG 3.85Å; F308-R310 HydrophobicContact CE1-CB 4.43Å; F308-R310 HydrophobicContact CE1-CG 3.37Å; F308-R310 HydrophobicContact CZ-CG 4.04Å; F308-H316 HydrophobicContact CD2-CB 3.93Å; F308-H316 AromaticContact CD2-CD2 3.48Å; F308-H316 VanDerWaalsContact CD2-CD2 3.48Å; F308-H316 WeakPolarHBondContact CD2-CD2 3.17Å; F308-H316 HydrophobicContact CE2-CB 3.73Å; F308-H316 AromaticContact CG-CD2 3.62Å; F308-H316 HydrophobicContact CZ-CB 4.24Å | ||
| 309 | F | 80.8 | Confident | 78.3 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | trans | -104.6 | 106 | 176.3 | -70.5 | -98 | 0 | 0 | 0 | 111.2 | N311 T312 Q319 L369 I372 I375 | F309-N311 VanDerWaalsContact C-N 3.31Å; F309-N311 PolarHBondContact O-N 2.9Å; F309-T312 HydrophobicContact CB-CG2 3.95Å; F309-T312 PolarHBondContact O-OG1 3.42Å; F309-Q319 PolarHBondContact O-NE2 2.95Å; F309-L369 WeakPolarHBondContact CE1-O 3.41Å; F309-L369 HydrophobicContact CZ-CB 4.48Å; F309-I372 HydrophobicContact CB-CB 4.26Å; F309-I372 HydrophobicContact CD2-CB 4.24Å; F309-I372 HydrophobicContact CD2-CG1 4.26Å; F309-I372 HydrophobicContact CG-CB 4.08Å; F309-I375 HydrophobicContact CE2-CB 4.47Å; F309-I375 HydrophobicContact CE2-CD1 4.47Å; F309-I375 HydrophobicContact CE2-CG1 3.6Å; F309-I375 HydrophobicContact CZ-CD1 4.46Å; F309-I375 HydrophobicContact CZ-CG1 3.7Å | ||
| 310 | R | 73.1 | Confident | 77.8 | Confident | 186 Ų | 186 | 52 Ų | 52 | 70% | 0.702 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -67.1 | -27.9 | 178.9 | -70.2 | 179.7 | -177.1 | -173.4 | 1.3 | 113.8 | F308 T312 | F308-R310 HydrophobicContact CD1-CG 3.85Å; F308-R310 HydrophobicContact CE1-CB 4.43Å; F308-R310 HydrophobicContact CE1-CG 3.37Å; F308-R310 HydrophobicContact CZ-CG 4.04Å; R310-T312 PolarHBondContact O-N 3.18Å; R310-T312 VanDerWaalsContact O-N 3.09Å |
| 311 | N | 73.3 | Confident | 77.5 | Confident | 167 Ų | 167 | 59 Ų | 59 | 89% | 0.893 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -86.2 | 40.3 | -174.5 | -68.7 | -14.6 | 0 | 0 | 0 | 113.2 | F309 | F309-N311 VanDerWaalsContact C-N 3.31Å; F309-N311 PolarHBondContact O-N 2.9Å |
| 312 | T | 80.1 | Confident | 77.9 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -136.1 | 159.2 | -179.4 | 72.5 | 0 | 0 | 0 | 0 | 111 | F309 R310 L314 Q319 I372 | F309-T312 HydrophobicContact CB-CG2 3.95Å; F309-T312 PolarHBondContact O-OG1 3.42Å; R310-T312 PolarHBondContact O-N 3.18Å; R310-T312 VanDerWaalsContact O-N 3.09Å; T312-L314 PolarHBondContact O-N 3.21Å; T312-L314 PolarHBondContact OG1-N 3Å; T312-L314 PolarHBondContact OG1-O 2.9Å; T312-Q319 PolarHBondContact OG1-NE2 3.45Å; T312-I372 HydrophobicContact CG2-CB 4.1Å; T312-I372 HydrophobicContact CG2-CD1 4.33Å; T312-I372 HydrophobicContact CG2-CG2 3.76Å |
| 313 | S | 79.4 | Confident | 78.4 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 85% | 0.846 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -73.8 | -2.4 | 174.1 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 314 | L | 80.1 | Confident | 78.6 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 23% | 0.225 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -96.1 | 129.8 | -176.5 | -62.9 | 176.4 | 0 | 0 | 0 | 110.3 | T312 Q318 Q319 I372 F376 | T312-L314 PolarHBondContact O-N 3.21Å; T312-L314 PolarHBondContact OG1-N 3Å; T312-L314 PolarHBondContact OG1-O 2.9Å; L314-Q318 HydrophobicContact CB-CB 4.3Å; L314-Q318 HydrophobicContact CD2-CB 4.34Å; L314-Q319 HydrophobicContact CB-CG 3.7Å; L314-Q319 HydrophobicContact CD1-CG 4.41Å; L314-Q319 PolarHBondContact O-NE2 3.31Å; L314-I372 HydrophobicContact CD1-CD1 4.25Å; L314-F376 HydrophobicContact CD1-CZ 4.05Å |
| 315 | S | 79.1 | Confident | 78.8 | Confident | 51 Ų | 51 | 69.8 Ų | 69.8 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | trans | -65.1 | 159.6 | 170.9 | 73.1 | 0 | 0 | 0 | 0 | 111.2 | S317 Q318 Q319 | S315-S317 VanDerWaalsContact C-N 3.27Å; S315-S317 PolarHBondContact O-N 3.09Å; S315-S317 PolarHBondContact OG-OG 2.81Å; S315-S317 VanDerWaalsContact OG-OG 3.11Å; S315-Q318 WeakPolarHBondContact O-CB 3.49Å; S315-Q318 PolarHBondContact O-N 2.9Å; S315-Q318 VanDerWaalsContact OG-CG 3.26Å; S315-Q318 WeakPolarHBondContact OG-CG 3.43Å; S315-Q318 PolarHBondContact OG-N 3.22Å; S315-Q318 PolarHBondContact OG-OE1 3.4Å; S315-Q319 WeakPolarHBondContact O-CG 3.34Å; S315-Q319 PolarHBondContact O-N 3.34Å | ||
| 316 | H | 72.7 | Confident | 79.8 | Confident | 72 Ų | 72 | 70 Ų | 70 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -52.7 | -44.2 | 176.9 | -179.4 | -113.7 | 0 | 0 | 0 | 112.7 | E305 F308 Q318 Q319 Y320 | E305-H316 PolarHBondContact O-NE2 3.46Å; F308-H316 HydrophobicContact CD2-CB 3.93Å; F308-H316 AromaticContact CD2-CD2 3.48Å; F308-H316 VanDerWaalsContact CD2-CD2 3.48Å; F308-H316 WeakPolarHBondContact CD2-CD2 3.17Å; F308-H316 HydrophobicContact CE2-CB 3.73Å; F308-H316 AromaticContact CG-CD2 3.62Å; F308-H316 HydrophobicContact CZ-CB 4.24Å; H316-Q318 VanDerWaalsContact C-N 3.35Å; H316-Q318 PolarHBondContact O-N 2.94Å; H316-Q319 PolarHBondContact O-N 2.93Å; H316-Y320 PolarHBondContact O-N 3.17Å; H316-Y320 VanDerWaalsContact O-N 3.09Å |
| 317 | S | 69.7 | Low | 80.7 | Confident | 65 Ų | 65 | 69.7 Ų | 69.7 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.9 | -31.7 | 176.6 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | S315 R321 | S315-S317 VanDerWaalsContact C-N 3.27Å; S315-S317 PolarHBondContact O-N 3.09Å; S315-S317 PolarHBondContact OG-OG 2.81Å; S315-S317 VanDerWaalsContact OG-OG 3.11Å; S317-R321 VanDerWaalsContact O-CG 3.26Å; S317-R321 WeakPolarHBondContact O-CG 3.5Å; S317-R321 PolarHBondContact O-N 2.97Å |
| 318 | Q | 74.8 | Confident | 81.3 | Confident | 85 Ų | 85 | 71.1 Ų | 71.1 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72 | -40.3 | 174.3 | -74.1 | 171 | -25.2 | 0 | 0 | 111.5 | L314 S315 H316 R321 W322 | L314-Q318 HydrophobicContact CB-CB 4.3Å; L314-Q318 HydrophobicContact CD2-CB 4.34Å; S315-Q318 WeakPolarHBondContact O-CB 3.49Å; S315-Q318 PolarHBondContact O-N 2.9Å; S315-Q318 VanDerWaalsContact OG-CG 3.26Å; S315-Q318 WeakPolarHBondContact OG-CG 3.43Å; S315-Q318 PolarHBondContact OG-N 3.22Å; S315-Q318 PolarHBondContact OG-OE1 3.4Å; H316-Q318 VanDerWaalsContact C-N 3.35Å; H316-Q318 PolarHBondContact O-N 2.94Å; Q318-R321 PolarHBondContact O-N 2.92Å; Q318-W322 VanDerWaalsContact O-CD1 3.26Å; Q318-W322 PolarHBondContact O-N 3.5Å |
| 319 | Q | 82.6 | Confident | 82 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 176.7 | -65 | -178.7 | 28.6 | 0 | 0 | 110.9 | F309 T312 L314 S315 H316 R321 W322 Y323 I372 | F309-Q319 PolarHBondContact O-NE2 2.95Å; T312-Q319 PolarHBondContact OG1-NE2 3.45Å; L314-Q319 HydrophobicContact CB-CG 3.7Å; L314-Q319 HydrophobicContact CD1-CG 4.41Å; L314-Q319 PolarHBondContact O-NE2 3.31Å; S315-Q319 WeakPolarHBondContact O-CG 3.34Å; S315-Q319 PolarHBondContact O-N 3.34Å; H316-Q319 PolarHBondContact O-N 2.93Å; Q319-R321 VanDerWaalsContact C-N 3.34Å; Q319-R321 PolarHBondContact O-N 3.38Å; Q319-W322 WeakPolarHBondContact O-CB 3.14Å; Q319-W322 PolarHBondContact O-N 3.28Å; Q319-W322 VanDerWaalsContact O-N 3.12Å; Q319-Y323 HydrophobicContact CB-CE2 4.37Å; Q319-Y323 VanDerWaalsContact O-CG 3.29Å; Q319-Y323 PolarHBondContact O-N 3.01Å; Q319-I372 HydrophobicContact CB-CD1 4.27Å; Q319-I372 HydrophobicContact CG-CD1 3.59Å |
| 320 | Y | 80.6 | Confident | 82.7 | Confident | 59 Ų | 59 | 67.9 Ų | 67.9 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 176.7 | -178.5 | -101.5 | 0 | 0 | 0 | 112.8 | F304 E305 H316 W322 Y323 Q324 | F304-Y320 HydrophobicContact CB-CD2 4.21Å; F304-Y320 HydrophobicContact CB-CE2 4.13Å; E305-Y320 HydrophobicContact CG-CD2 4.4Å; E305-Y320 HydrophobicContact CG-CE2 4.09Å; H316-Y320 PolarHBondContact O-N 3.17Å; H316-Y320 VanDerWaalsContact O-N 3.09Å; Y320-W322 VanDerWaalsContact C-N 3.34Å; Y320-W322 PolarHBondContact O-N 3.42Å; Y320-Y323 PolarHBondContact O-N 3.28Å; Y320-Q324 HydrophobicContact CD1-CG 4.37Å; Y320-Q324 HydrophobicContact CE1-CG 3.96Å; Y320-Q324 HydrophobicContact CE2-CG 4.48Å; Y320-Q324 WeakPolarHBondContact O-CG 3.35Å; Y320-Q324 PolarHBondContact O-N 2.86Å; Y320-Q324 PolarHBondContact OH-NE2 2.97Å |
| 321 | R | 79.8 | Confident | 83.7 | Confident | 150 Ų | 150 | 59.2 Ų | 59.2 | 57% | 0.566 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.7 | -39.4 | 175.9 | -73.1 | 171.1 | -177.7 | -176.6 | -0.1 | 112.4 | S317 Q318 Q319 Q324 M325 | S317-R321 VanDerWaalsContact O-CG 3.26Å; S317-R321 WeakPolarHBondContact O-CG 3.5Å; S317-R321 PolarHBondContact O-N 2.97Å; Q318-R321 PolarHBondContact O-N 2.92Å; Q319-R321 VanDerWaalsContact C-N 3.34Å; Q319-R321 PolarHBondContact O-N 3.38Å; R321-Q324 PolarHBondContact O-N 3.38Å; R321-M325 WeakPolarHBondContact O-CB 3.29Å; R321-M325 PolarHBondContact O-N 3.06Å |
| 322 | W | 84.9 | Confident | 84.8 | Confident | 113 Ų | 113 | 54.2 Ų | 54.2 | 43% | 0.428 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 174.8 | -86 | 112.9 | 0 | 0 | 0 | 112.2 | Q318 Q319 Y320 M325 L326 F376 | Q318-W322 VanDerWaalsContact O-CD1 3.26Å; Q318-W322 PolarHBondContact O-N 3.5Å; Q319-W322 WeakPolarHBondContact O-CB 3.14Å; Q319-W322 PolarHBondContact O-N 3.28Å; Q319-W322 VanDerWaalsContact O-N 3.12Å; Y320-W322 VanDerWaalsContact C-N 3.34Å; Y320-W322 PolarHBondContact O-N 3.42Å; W322-M325 HydrophobicContact CE3-SD 3.92Å; W322-M325 HydrophobicContact CH2-SD 4.25Å; W322-M325 HydrophobicContact CZ3-CE 4.28Å; W322-M325 HydrophobicContact CZ3-SD 3.57Å; W322-M325 VanDerWaalsContact CZ3-SD 3.57Å; W322-M325 PolarHBondContact O-N 3.43Å; W322-L326 WeakPolarHBondContact O-CB 3.43Å; W322-L326 VanDerWaalsContact O-CG 3.31Å; W322-L326 WeakPolarHBondContact O-CG 3.34Å; W322-L326 PolarHBondContact O-N 2.8Å; W322-F376 HydrophobicContact CB-CE1 3.83Å; W322-F376 HydrophobicContact CB-CZ 3.8Å; W322-F376 HydrophobicContact CG-CZ 4.2Å |
| 323 | Y | 88.2 | Confident | 85.5 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.3 | -51 | 173.7 | -59 | -27.8 | 0 | 0 | 0 | 110.8 | F304 L307 Q319 Y320 M325 L326 Y327 I372 I375 F376 V379 | F304-Y323 HydrophobicContact CB-CD2 4.33Å; F304-Y323 HydrophobicContact CD2-CD2 4.48Å; F304-Y323 HydrophobicContact CG-CD2 4.26Å; L307-Y323 HydrophobicContact CB-CE2 4.47Å; L307-Y323 WeakPolarHBondContact O-CE2 3.37Å; L307-Y323 PolarHBondContact O-OH 3.09Å; Q319-Y323 HydrophobicContact CB-CE2 4.37Å; Q319-Y323 VanDerWaalsContact O-CG 3.29Å; Q319-Y323 PolarHBondContact O-N 3.01Å; Y320-Y323 PolarHBondContact O-N 3.28Å; Y323-M325 VanDerWaalsContact C-N 3.35Å; Y323-M325 PolarHBondContact O-N 2.96Å; Y323-L326 PolarHBondContact O-N 2.94Å; Y323-Y327 VanDerWaalsContact O-CB 3.24Å; Y323-Y327 WeakPolarHBondContact O-CB 3.45Å; Y323-Y327 PolarHBondContact O-N 3Å; Y323-I372 HydrophobicContact CE1-CG1 4.35Å; Y323-I375 HydrophobicContact CD1-CG2 4.13Å; Y323-I375 HydrophobicContact CE1-CB 4.4Å; Y323-I375 HydrophobicContact CE1-CG2 3.47Å; Y323-I375 VanDerWaalsContact CE1-CG2 3.47Å; Y323-F376 AromaticContact CD1-CD1 3.61Å; Y323-F376 HydrophobicContact CD1-CD1 3.61Å; Y323-F376 AromaticContact CD1-CE1 3.53Å; Y323-F376 HydrophobicContact CD1-CE1 3.53Å; Y323-F376 AromaticContact CE1-CD1 3.5Å; Y323-F376 HydrophobicContact CE1-CD1 3.5Å; Y323-F376 AromaticContact CE1-CE1 3.33Å; Y323-F376 HydrophobicContact CE1-CE1 3.33Å; Y323-V379 HydrophobicContact CD1-CG2 4.34Å; Y323-V379 WeakPolarHBondContact O-CG1 3.43Å |
| 324 | Q | 85.1 | Confident | 86.3 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -43.3 | 177.3 | -69.3 | -64.8 | -25.8 | 0 | 0 | 112.5 | Y320 R321 Q328 | Y320-Q324 HydrophobicContact CD1-CG 4.37Å; Y320-Q324 HydrophobicContact CE1-CG 3.96Å; Y320-Q324 HydrophobicContact CE2-CG 4.48Å; Y320-Q324 WeakPolarHBondContact O-CG 3.35Å; Y320-Q324 PolarHBondContact O-N 2.86Å; Y320-Q324 PolarHBondContact OH-NE2 2.97Å; R321-Q324 PolarHBondContact O-N 3.38Å; Q324-Q328 WeakPolarHBondContact O-CB 3.12Å; Q324-Q328 WeakPolarHBondContact O-CG 3.34Å; Q324-Q328 PolarHBondContact O-N 3Å |
| 325 | M | 87.1 | Confident | 87 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 45% | 0.453 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 178.4 | -178.4 | -175.4 | 172.7 | 0 | 0 | 112.4 | R321 W322 Y323 Q328 T329 | R321-M325 WeakPolarHBondContact O-CB 3.29Å; R321-M325 PolarHBondContact O-N 3.06Å; W322-M325 HydrophobicContact CE3-SD 3.92Å; W322-M325 HydrophobicContact CH2-SD 4.25Å; W322-M325 HydrophobicContact CZ3-CE 4.28Å; W322-M325 HydrophobicContact CZ3-SD 3.57Å; W322-M325 VanDerWaalsContact CZ3-SD 3.57Å; W322-M325 PolarHBondContact O-N 3.43Å; Y323-M325 VanDerWaalsContact C-N 3.35Å; Y323-M325 PolarHBondContact O-N 2.96Å; M325-Q328 PolarHBondContact O-N 3.5Å; M325-T329 WeakPolarHBondContact O-CB 3.49Å; M325-T329 PolarHBondContact O-N 2.86Å; M325-T329 PolarHBondContact O-OG1 2.99Å |
| 326 | L | 92.2 | Very high | 87.7 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | 179.9 | -73 | 169.1 | 0 | 0 | 0 | 111.2 | W322 Y323 T329 G330 F376 V379 L380 | W322-L326 WeakPolarHBondContact O-CB 3.43Å; W322-L326 VanDerWaalsContact O-CG 3.31Å; W322-L326 WeakPolarHBondContact O-CG 3.34Å; W322-L326 PolarHBondContact O-N 2.8Å; Y323-L326 PolarHBondContact O-N 2.94Å; L326-T329 WeakPolarHBondContact O-CB 3.34Å; L326-T329 PolarHBondContact O-N 3.43Å; L326-G330 PolarHBondContact O-N 3.23Å; L326-F376 HydrophobicContact CD1-CB 3.43Å; L326-F376 VanDerWaalsContact CD1-CB 3.43Å; L326-F376 HydrophobicContact CD1-CD1 3.58Å; L326-F376 HydrophobicContact CD1-CD2 4.12Å; L326-F376 HydrophobicContact CD1-CE1 4.32Å; L326-F376 HydrophobicContact CD1-CG 3.45Å; L326-F376 VanDerWaalsContact CD1-CG 3.45Å; L326-V379 HydrophobicContact CB-CG1 4.25Å; L326-L380 VanDerWaalsContact O-CD1 3.26Å; L326-L380 WeakPolarHBondContact O-CD1 3.29Å |
| 327 | Y | 92.7 | Very high | 88.6 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.3 | -55.4 | 173.5 | 165.8 | -107.9 | 0 | 0 | 0 | 111.1 | E296 N300 Y323 T329 G330 V331 | E296-Y327 HydrophobicContact CG-CE2 3.71Å; E296-Y327 PolarHBondContact OE1-OH 3.31Å; N300-Y327 WeakPolarHBondContact ND2-CE2 3.47Å; Y323-Y327 VanDerWaalsContact O-CB 3.24Å; Y323-Y327 WeakPolarHBondContact O-CB 3.45Å; Y323-Y327 PolarHBondContact O-N 3Å; Y327-T329 VanDerWaalsContact C-N 3.26Å; Y327-T329 PolarHBondContact O-N 3.37Å; Y327-G330 WeakPolarHBondContact O-CA 3.36Å; Y327-G330 PolarHBondContact O-N 3.27Å; Y327-V331 HydrophobicContact CD2-CG2 4.2Å; Y327-V331 HydrophobicContact CE1-CG2 4.23Å; Y327-V331 HydrophobicContact CE2-CG2 3.65Å; Y327-V331 WeakPolarHBondContact O-CG2 3.43Å; Y327-V331 PolarHBondContact O-N 2.83Å |
| 328 | Q | 91.8 | Very high | 89.5 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -33.4 | -179.7 | -66.7 | -69.1 | 17.1 | 0 | 0 | 112.7 | Q324 M325 V331 F332 | Q324-Q328 WeakPolarHBondContact O-CB 3.12Å; Q324-Q328 WeakPolarHBondContact O-CG 3.34Å; Q324-Q328 PolarHBondContact O-N 3Å; M325-Q328 PolarHBondContact O-N 3.5Å; Q328-V331 PolarHBondContact O-N 2.86Å; Q328-F332 WeakPolarHBondContact O-CB 3.38Å; Q328-F332 PolarHBondContact O-N 3.29Å |
| 329 | T | 93.8 | Very high | 89.8 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 27% | 0.27 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 173.6 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | M325 L326 Y327 F332 V333 L380 | M325-T329 WeakPolarHBondContact O-CB 3.49Å; M325-T329 PolarHBondContact O-N 2.86Å; M325-T329 PolarHBondContact O-OG1 2.99Å; L326-T329 WeakPolarHBondContact O-CB 3.34Å; L326-T329 PolarHBondContact O-N 3.43Å; Y327-T329 VanDerWaalsContact C-N 3.26Å; Y327-T329 PolarHBondContact O-N 3.37Å; T329-F332 PolarHBondContact O-N 2.93Å; T329-V333 HydrophobicContact CG2-CG2 4.49Å; T329-V333 WeakPolarHBondContact O-CB 3.48Å; T329-V333 VanDerWaalsContact O-CG2 3.3Å; T329-V333 WeakPolarHBondContact O-CG2 3.44Å; T329-V333 PolarHBondContact O-N 3.09Å; T329-L380 HydrophobicContact CG2-CD1 4.38Å |
| 330 | G | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L326 Y327 S334 G383 F384 | L326-G330 PolarHBondContact O-N 3.23Å; Y327-G330 WeakPolarHBondContact O-CA 3.36Å; Y327-G330 PolarHBondContact O-N 3.27Å; G330-S334 WeakPolarHBondContact O-CB 3.47Å; G330-S334 PolarHBondContact O-N 3.37Å; G330-S334 PolarHBondContact O-OG 3.43Å; G330-G383 CarbonylContact C-O 3.57Å; G330-F384 VanDerWaalsContact O-CD1 3.28Å; G330-F384 WeakPolarHBondContact O-CD1 3.45Å |
| 331 | V | 95.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 176.6 | 174.9 | 0 | 0 | 0 | 0 | 111 | Y327 Q328 V333 S334 R335 G383 | Y327-V331 HydrophobicContact CD2-CG2 4.2Å; Y327-V331 HydrophobicContact CE1-CG2 4.23Å; Y327-V331 HydrophobicContact CE2-CG2 3.65Å; Y327-V331 WeakPolarHBondContact O-CG2 3.43Å; Y327-V331 PolarHBondContact O-N 2.83Å; Q328-V331 PolarHBondContact O-N 2.86Å; V331-V333 PolarHBondContact O-N 3.26Å; V331-S334 PolarHBondContact O-N 3.24Å; V331-S334 PolarHBondContact O-OG 2.91Å; V331-S334 VanDerWaalsContact O-OG 3.07Å; V331-R335 HydrophobicContact CG1-CG 4.27Å; V331-R335 WeakPolarHBondContact O-CB 3.5Å; V331-R335 VanDerWaalsContact O-CG 3.29Å; V331-R335 WeakPolarHBondContact O-CG 3.22Å; V331-R335 PolarHBondContact O-N 3.19Å; V331-G383 VanDerWaalsContact CA-O 3.28Å; V331-G383 WeakPolarHBondContact CA-O 3.44Å; V331-G383 PolarHBondContact N-O 3.48Å |
| 332 | F | 95.1 | Very high | 90.6 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | -179.3 | 175.1 | -115.4 | 0 | 0 | 0 | 112.6 | S187 Q328 T329 S336 | S187-F332 WeakPolarHBondContact O-CD2 3.38Å; Q328-F332 WeakPolarHBondContact O-CB 3.38Å; Q328-F332 PolarHBondContact O-N 3.29Å; T329-F332 PolarHBondContact O-N 2.93Å; F332-S336 WeakPolarHBondContact O-CB 3.46Å; F332-S336 PolarHBondContact O-N 3.42Å; F332-S336 VanDerWaalsContact O-N 3.09Å; F332-S336 PolarHBondContact O-OG 3.27Å |
| 333 | V | 95.8 | Very high | 90.9 | Very high | 71 Ų | 71 | 49.7 Ų | 49.7 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 179.9 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | T329 V331 S336 S337 F384 | T329-V333 HydrophobicContact CG2-CG2 4.49Å; T329-V333 WeakPolarHBondContact O-CB 3.48Å; T329-V333 VanDerWaalsContact O-CG2 3.3Å; T329-V333 WeakPolarHBondContact O-CG2 3.44Å; T329-V333 PolarHBondContact O-N 3.09Å; V331-V333 PolarHBondContact O-N 3.26Å; V333-S336 CarbonylContact O-C 3.59Å; V333-S336 PolarHBondContact O-N 2.99Å; V333-S337 PolarHBondContact O-N 3.43Å; V333-S337 VanDerWaalsContact O-N 3.16Å; V333-F384 HydrophobicContact CB-CD1 4.42Å; V333-F384 HydrophobicContact CB-CE1 3.82Å; V333-F384 HydrophobicContact CG1-CD1 4.36Å; V333-F384 HydrophobicContact CG1-CE1 3.68Å |
| 334 | S | 95.4 | Very high | 90.9 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.9 | -37.5 | -178.9 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | G330 V331 S336 S337 G383 F384 G387 A388 | G330-S334 WeakPolarHBondContact O-CB 3.47Å; G330-S334 PolarHBondContact O-N 3.37Å; G330-S334 PolarHBondContact O-OG 3.43Å; V331-S334 PolarHBondContact O-N 3.24Å; V331-S334 PolarHBondContact O-OG 2.91Å; V331-S334 VanDerWaalsContact O-OG 3.07Å; S334-S336 PolarHBondContact O-N 3.31Å; S334-S337 WeakPolarHBondContact O-CB 3.45Å; S334-S337 PolarHBondContact O-N 3.24Å; S334-S337 VanDerWaalsContact O-N 3.08Å; S334-S337 PolarHBondContact O-OG 2.7Å; S334-G383 PolarHBondContact OG-O 3.27Å; S334-F384 WeakPolarHBondContact CB-O 3.48Å; S334-F384 PolarHBondContact OG-O 3.38Å; S334-G387 WeakPolarHBondContact OG-CA 3.18Å; S334-A388 PolarHBondContact OG-N 2.56Å |
| 335 | R | 94.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 61.1 Ų | 61.1 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -26.8 | 171.8 | -72.4 | -172.1 | -177.7 | -160.4 | -1.4 | 113.2 | S186 T189 Y293 V331 S337 | S186-R335 WeakPolarHBondContact O-CB 3.2Å; S186-R335 WeakPolarHBondContact O-CD 3.22Å; S186-R335 WeakPolarHBondContact OG-CB 2.88Å; S186-R335 WeakPolarHBondContact OG-CD 3.42Å; S186-R335 WeakPolarHBondContact OG-CG 3.47Å; T189-R335 PolarHBondContact OG1-NH1 3.46Å; Y293-R335 PolarHBondContact OH-NH2 3.11Å; V331-R335 HydrophobicContact CG1-CG 4.27Å; V331-R335 WeakPolarHBondContact O-CB 3.5Å; V331-R335 VanDerWaalsContact O-CG 3.29Å; V331-R335 WeakPolarHBondContact O-CG 3.22Å; V331-R335 PolarHBondContact O-N 3.19Å; R335-S337 VanDerWaalsContact C-N 3.33Å |
| 336 | S | 94.1 | Very high | 91.4 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -4.5 | 175.5 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | S187 F332 V333 S334 | S187-S336 WeakPolarHBondContact CB-OG 3.17Å; S187-S336 PolarHBondContact OG-OG 3.02Å; F332-S336 WeakPolarHBondContact O-CB 3.46Å; F332-S336 PolarHBondContact O-N 3.42Å; F332-S336 VanDerWaalsContact O-N 3.09Å; F332-S336 PolarHBondContact O-OG 3.27Å; V333-S336 CarbonylContact O-C 3.59Å; V333-S336 PolarHBondContact O-N 2.99Å; S334-S336 PolarHBondContact O-N 3.31Å |
| 337 | S | 92.4 | Very high | 91.5 | Very high | 29 Ų | 29 | 62.5 Ų | 62.5 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | trans | -86.5 | -3.6 | -168.9 | 74.4 | 0 | 0 | 0 | 0 | 115.3 | V333 S334 R335 Y339 C340 C341 | V333-S337 PolarHBondContact O-N 3.43Å; V333-S337 VanDerWaalsContact O-N 3.16Å; S334-S337 WeakPolarHBondContact O-CB 3.45Å; S334-S337 PolarHBondContact O-N 3.24Å; S334-S337 VanDerWaalsContact O-N 3.08Å; S334-S337 PolarHBondContact O-OG 2.7Å; R335-S337 VanDerWaalsContact C-N 3.33Å; S337-Y339 PolarHBondContact O-N 3.11Å; S337-Y339 VanDerWaalsContact O-N 3.08Å; S337-C340 CarbonylContact O-C 3.36Å; S337-C340 WeakPolarHBondContact O-CA 3.16Å; S337-C340 WeakPolarHBondContact O-CB 3.24Å; S337-C340 PolarHBondContact O-N 2.9Å; S337-C341 PolarHBondContact O-N 3.42Å | ||
| 338 | L | 87.8 | Confident | 91.7 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31 | -170 | -167.9 | 70.9 | 0 | 0 | 0 | 114.4 | S183 C340 R342 V391 H395 | S183-L338 WeakPolarHBondContact OG-CB 3.39Å; L338-C340 VanDerWaalsContact C-N 3.34Å; L338-R342 HydrophobicContact CD1-CG 4.41Å; L338-R342 VanDerWaalsContact O-CG 3.25Å; L338-R342 WeakPolarHBondContact O-CG 3.41Å; L338-R342 PolarHBondContact O-NE 3.4Å; L338-V391 HydrophobicContact CB-CG2 4.03Å; L338-V391 HydrophobicContact CD1-CG1 4.38Å; L338-V391 HydrophobicContact CD1-CG2 4.17Å; L338-V391 HydrophobicContact CD2-CG2 4.06Å; L338-V391 HydrophobicContact CG-CG2 4.31Å; L338-H395 HydrophobicContact CD1-CB 3.9Å; L338-H395 HydrophobicContact CD2-CB 3.94Å |
| 339 | Y | 82.7 | Confident | 91.9 | Very high | 136 Ų | 136 | 63.1 Ų | 63.1 | 53% | 0.533 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -26 | 174.3 | -72.7 | -81.5 | 0 | 0 | 0 | 113.3 | A180 S337 | A180-Y339 VanDerWaalsContact CB-OH 3.27Å; A180-Y339 WeakPolarHBondContact CB-OH 3.43Å; S337-Y339 PolarHBondContact O-N 3.11Å; S337-Y339 VanDerWaalsContact O-N 3.08Å |
| 340 | C | 84 | Confident | 92 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 76% | 0.764 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -48 | -178.7 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | S337 L338 | S337-C340 CarbonylContact O-C 3.36Å; S337-C340 WeakPolarHBondContact O-CA 3.16Å; S337-C340 WeakPolarHBondContact O-CB 3.24Å; S337-C340 PolarHBondContact O-N 2.9Å; L338-C340 VanDerWaalsContact C-N 3.34Å |
| 341 | C | 85.9 | Confident | 92.1 | Very high | 68 Ų | 68 | 66.5 Ų | 66.5 | 46% | 0.459 | 32% | 0.322 | S | S | . | . | trans | -133.3 | 116.4 | -172.7 | -66 | 0 | 0 | 0 | 0 | 110.4 | S337 | S337-C341 PolarHBondContact O-N 3.42Š| ||
| 342 | R | 88.9 | Confident | 92.2 | Very high | 167 Ų | 167 | 69 Ų | 69 | 63% | 0.63 | 34% | 0.335 | S | S | * | . | trans | -108.2 | 130.1 | 173.6 | -62.8 | -174.7 | -171.5 | 172.5 | 3.1 | 110.4 | L338 N392 | L338-R342 HydrophobicContact CD1-CG 4.41Å; L338-R342 VanDerWaalsContact O-CG 3.25Å; L338-R342 WeakPolarHBondContact O-CG 3.41Å; L338-R342 PolarHBondContact O-NE 3.4Å; R342-N392 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 343 | I | 90.3 | Very high | 92.3 | Very high | 54 Ų | 54 | 66 Ų | 66 | 28% | 0.277 | 32% | 0.322 | S | S | . | . | trans | -120.4 | 109.1 | -176.4 | -55.5 | 178.7 | 0 | 0 | 0 | 108.3 | I346 L349 A388 N392 N396 | I343-I346 WeakPolarHBondContact O-CD1 3.41Å; I343-L349 HydrophobicContact CD1-CD1 4.16Å; I343-L349 HydrophobicContact CD1-CD2 4.02Å; I343-L349 HydrophobicContact CG2-CD1 4.22Å; I343-L349 HydrophobicContact CG2-CG 4.35Å; I343-A388 HydrophobicContact CD1-CB 4.37Å; I343-N392 HydrophobicContact CB-CB 4.46Å; I343-N392 PolarHBondContact N-OD1 3.14Å; I343-N392 WeakPolarHBondContact O-CB 3.47Å; I343-N396 PolarHBondContact O-ND2 3.5Å; I343-N396 VanDerWaalsContact O-ND2 3.14Å | ||
| 344 | R | 88.1 | Confident | 92.3 | Very high | 158 Ų | 158 | 64.8 Ų | 64.8 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -77.3 | -37.3 | 178.1 | -167.1 | 172.1 | -175 | 149.5 | 2.8 | 112.4 | I346 E400 | R344-I346 PolarHBondContact O-N 2.86Å; R344-E400 IonicContact CZ-OE1 3.31Å; R344-E400 VanDerWaalsContact CZ-OE1 3.31Å; R344-E400 IonicContact NE-OE1 3.35Å; R344-E400 PolarHBondContact NE-OE1 3.34Å; R344-E400 IonicContact NH2-OE1 2.7Å; R344-E400 PolarHBondContact NH2-OE1 3.47Å |
| 345 | F | 90.8 | Very high | 92.4 | Very high | 130 Ų | 130 | 69.5 Ų | 69.5 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | trans | -91.8 | 77.7 | -172.9 | -60.7 | -67.8 | 0 | 0 | 0 | 112 | W347 V348 | F345-W347 AromaticContact CD1-NE1 3.66Å; F345-W347 AromaticContact CG-NE1 3.99Å; F345-W347 PolarHBondContact O-N 3.4Å; F345-V348 HydrophobicContact CB-CG2 3.98Å; F345-V348 WeakPolarHBondContact O-CB 3.42Å; F345-V348 PolarHBondContact O-N 3.25Å; F345-V348 VanDerWaalsContact O-N 3.1Å | ||
| 346 | I | 92.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.015 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.1 | -30.8 | -178 | -50.5 | -56.2 | 0 | 0 | 0 | 112.6 | Y285 P288 I343 R344 V348 L349 A350 A389 N392 T393 | Y285-I346 HydrophobicContact CD1-CG1 4Å; Y285-I346 HydrophobicContact CE1-CG1 4.14Å; P288-I346 HydrophobicContact CB-CB 4.32Å; P288-I346 HydrophobicContact CB-CG2 3.9Å; I343-I346 WeakPolarHBondContact O-CD1 3.41Å; R344-I346 PolarHBondContact O-N 2.86Å; I346-V348 PolarHBondContact O-N 3.16Å; I346-V348 VanDerWaalsContact O-N 3.15Å; I346-L349 WeakPolarHBondContact O-CB 3.19Å; I346-L349 PolarHBondContact O-N 3.48Å; I346-A350 PolarHBondContact O-N 3.15Å; I346-A350 VanDerWaalsContact O-N 3.16Å; I346-A389 HydrophobicContact CG2-CB 4.37Å; I346-N392 HydrophobicContact CD1-CB 3.52Å; I346-T393 WeakPolarHBondContact CG2-OG1 3.45Å |
| 347 | W | 95.1 | Very high | 92.5 | Very high | 152 Ų | 152 | 68.1 Ų | 68.1 | 58% | 0.576 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.7 | -27.5 | 177.4 | 70 | -97 | 0 | 0 | 0 | 113.5 | P288 F345 A350 L351 | P288-W347 HydrophobicContact CG-CB 4.07Å; F345-W347 AromaticContact CD1-NE1 3.66Å; F345-W347 AromaticContact CG-NE1 3.99Å; F345-W347 PolarHBondContact O-N 3.4Å; W347-A350 PolarHBondContact O-N 2.51Å; W347-L351 HydrophobicContact CZ3-CD2 4.43Å; W347-L351 PolarHBondContact O-N 2.89Å |
| 348 | V | 96.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 69.2 Ų | 69.2 | 32% | 0.315 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | F345 I346 A350 L351 L352 | F345-V348 HydrophobicContact CB-CG2 3.98Å; F345-V348 WeakPolarHBondContact O-CB 3.42Å; F345-V348 PolarHBondContact O-N 3.25Å; F345-V348 VanDerWaalsContact O-N 3.1Å; I346-V348 PolarHBondContact O-N 3.16Å; I346-V348 VanDerWaalsContact O-N 3.15Å; V348-A350 VanDerWaalsContact C-N 3.33Å; V348-A350 PolarHBondContact O-N 2.86Å; V348-L351 PolarHBondContact O-N 3.16Å; V348-L352 HydrophobicContact CG1-CD1 4.04Å; V348-L352 HydrophobicContact CG1-CG 4.45Å; V348-L352 VanDerWaalsContact O-CG 3.28Å; V348-L352 WeakPolarHBondContact O-CG 3.37Å; V348-L352 PolarHBondContact O-N 3.18Å |
| 349 | L | 95.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.4 | -58.6 | 177.6 | 0 | 0 | 0 | 111.1 | V292 I343 I346 L352 Q353 L385 A388 A389 | V292-L349 HydrophobicContact CG2-CB 4.46Å; I343-L349 HydrophobicContact CD1-CD1 4.16Å; I343-L349 HydrophobicContact CD1-CD2 4.02Å; I343-L349 HydrophobicContact CG2-CD1 4.22Å; I343-L349 HydrophobicContact CG2-CG 4.35Å; I346-L349 WeakPolarHBondContact O-CB 3.19Å; I346-L349 PolarHBondContact O-N 3.48Å; L349-L352 PolarHBondContact O-N 3.35Å; L349-Q353 WeakPolarHBondContact O-CB 3.26Å; L349-Q353 PolarHBondContact O-N 3.26Å; L349-L385 HydrophobicContact CD2-CD2 3.72Å; L349-A388 HydrophobicContact CD1-CB 4.06Å; L349-A389 HydrophobicContact CB-CB 4.3Å; L349-A389 HydrophobicContact CD1-CB 3.92Å |
| 350 | A | 96.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P288 L291 V292 I346 W347 V348 Q353 C354 | P288-A350 HydrophobicContact CB-CB 3.99Å; L291-A350 HydrophobicContact CB-CB 4.16Å; V292-A350 VanDerWaalsContact CG2-CA 3.44Å; V292-A350 HydrophobicContact CG2-CB 3.85Å; I346-A350 PolarHBondContact O-N 3.15Å; I346-A350 VanDerWaalsContact O-N 3.16Å; W347-A350 PolarHBondContact O-N 2.51Å; V348-A350 VanDerWaalsContact C-N 3.33Å; V348-A350 PolarHBondContact O-N 2.86Å; A350-Q353 PolarHBondContact O-N 3.01Å; A350-C354 WeakPolarHBondContact O-CB 3.26Å; A350-C354 PolarHBondContact O-N 2.95Å; A350-C354 PolarHBondContact O-SG 3.37Å; A350-C354 VanDerWaalsContact O-SG 3.34Å |
| 351 | L | 97.2 | Very high | 93.6 | Very high | 111 Ų | 111 | 62 Ų | 62 | 58% | 0.581 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 176.9 | -179.1 | 66 | 0 | 0 | 0 | 111.6 | W347 V348 Q353 C354 L355 | W347-L351 HydrophobicContact CZ3-CD2 4.43Å; W347-L351 PolarHBondContact O-N 2.89Å; V348-L351 PolarHBondContact O-N 3.16Å; L351-Q353 VanDerWaalsContact C-N 3.33Å; L351-Q353 PolarHBondContact O-N 3.09Å; L351-C354 PolarHBondContact O-N 3.42Å; L351-L355 WeakPolarHBondContact O-CB 3.25Å; L351-L355 PolarHBondContact O-N 3.03Å |
| 352 | L | 97.2 | Very high | 93.8 | Very high | 57 Ų | 57 | 60.5 Ų | 60.5 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.8 | -69.5 | 171.2 | 0 | 0 | 0 | 111.7 | V348 L349 L355 N356 L385 | V348-L352 HydrophobicContact CG1-CD1 4.04Å; V348-L352 HydrophobicContact CG1-CG 4.45Å; V348-L352 VanDerWaalsContact O-CG 3.28Å; V348-L352 WeakPolarHBondContact O-CG 3.37Å; V348-L352 PolarHBondContact O-N 3.18Å; L349-L352 PolarHBondContact O-N 3.35Å; L352-L355 PolarHBondContact O-N 3.12Å; L352-N356 WeakPolarHBondContact O-CB 3.26Å; L352-N356 PolarHBondContact O-N 2.9Å; L352-L385 HydrophobicContact CB-CD1 3.8Å; L352-L385 HydrophobicContact CB-CD2 4.07Å; L352-L385 HydrophobicContact CD1-CD2 4.08Å |
| 353 | Q | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 177.6 | -165.4 | 70.1 | -3.5 | 0 | 0 | 111.9 | V292 A295 E296 L349 A350 L351 L355 N356 L357 L385 | V292-Q353 HydrophobicContact CG1-CG 4.23Å; V292-Q353 HydrophobicContact CG2-CB 4.41Å; A295-Q353 HydrophobicContact CB-CB 4.41Å; A295-Q353 HydrophobicContact CB-CG 3.7Å; E296-Q353 VanDerWaalsContact CA-NE2 3.32Å; E296-Q353 VanDerWaalsContact CB-NE2 3.34Å; L349-Q353 WeakPolarHBondContact O-CB 3.26Å; L349-Q353 PolarHBondContact O-N 3.26Å; A350-Q353 PolarHBondContact O-N 3.01Å; L351-Q353 VanDerWaalsContact C-N 3.33Å; L351-Q353 PolarHBondContact O-N 3.09Å; Q353-L355 VanDerWaalsContact C-N 3.34Å; Q353-L355 PolarHBondContact O-N 3.21Å; Q353-N356 WeakPolarHBondContact O-CB 3.26Å; Q353-N356 PolarHBondContact O-N 2.94Å; Q353-L357 PolarHBondContact O-N 3.09Å; Q353-L385 HydrophobicContact CB-CD1 4.31Å |
| 354 | C | 96.8 | Very high | 93.6 | Very high | 45 Ų | 45 | 50.7 Ų | 50.7 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 174 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | A350 L351 N356 L357 A358 | A350-C354 WeakPolarHBondContact O-CB 3.26Å; A350-C354 PolarHBondContact O-N 2.95Å; A350-C354 PolarHBondContact O-SG 3.37Å; A350-C354 VanDerWaalsContact O-SG 3.34Å; L351-C354 PolarHBondContact O-N 3.42Å; C354-N356 VanDerWaalsContact C-N 3.33Å; C354-L357 PolarHBondContact O-N 2.89Å; C354-A358 PolarHBondContact O-N 3.44Å |
| 355 | L | 96.6 | Very high | 93.4 | Very high | 104 Ų | 104 | 47.5 Ų | 47.5 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 172.9 | 179.2 | 64.2 | 0 | 0 | 0 | 110.8 | L351 L352 Q353 L357 A358 V359 | L351-L355 WeakPolarHBondContact O-CB 3.25Å; L351-L355 PolarHBondContact O-N 3.03Å; L352-L355 PolarHBondContact O-N 3.12Å; Q353-L355 VanDerWaalsContact C-N 3.34Å; Q353-L355 PolarHBondContact O-N 3.21Å; L355-L357 VanDerWaalsContact C-N 3.34Å; L355-L357 PolarHBondContact O-N 2.92Å; L355-A358 PolarHBondContact O-N 3.31Å; L355-V359 HydrophobicContact CD1-CG2 4.41Å; L355-V359 WeakPolarHBondContact O-CG2 3.37Å; L355-V359 PolarHBondContact O-N 3.33Å |
| 356 | N | 95.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.059 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 177 | -162.8 | 36.9 | 0 | 0 | 0 | 111.7 | L352 Q353 C354 A358 V359 L360 I378 E382 | L352-N356 WeakPolarHBondContact O-CB 3.26Å; L352-N356 PolarHBondContact O-N 2.9Å; Q353-N356 WeakPolarHBondContact O-CB 3.26Å; Q353-N356 PolarHBondContact O-N 2.94Å; C354-N356 VanDerWaalsContact C-N 3.33Å; N356-A358 PolarHBondContact O-N 2.9Å; N356-V359 PolarHBondContact O-N 2.99Å; N356-L360 PolarHBondContact O-N 3.22Å; N356-I378 WeakPolarHBondContact OD1-CG2 3.38Å; N356-E382 WeakPolarHBondContact ND2-CB 3.37Å |
| 357 | L | 94.9 | Very high | 92.8 | Very high | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 173.2 | 169.3 | 61.5 | 0 | 0 | 0 | 111.6 | F294 A295 F298 I299 L303 Q353 C354 L355 V359 L360 L361 | F294-L357 HydrophobicContact CE1-CD2 4.34Å; A295-L357 HydrophobicContact CB-CB 4.13Å; A295-L357 HydrophobicContact CB-CD2 4.02Å; F298-L357 HydrophobicContact CD1-CD1 3.51Å; F298-L357 HydrophobicContact CD1-CD2 4.37Å; F298-L357 HydrophobicContact CE1-CD1 4.16Å; F298-L357 HydrophobicContact CG-CD1 4.41Å; I299-L357 HydrophobicContact CD1-CB 4Å; I299-L357 HydrophobicContact CG1-CB 4.1Å; I299-L357 HydrophobicContact CG1-CD1 3.78Å; L303-L357 HydrophobicContact CD1-CD1 3.72Å; Q353-L357 PolarHBondContact O-N 3.09Å; C354-L357 PolarHBondContact O-N 2.89Å; L355-L357 VanDerWaalsContact C-N 3.34Å; L355-L357 PolarHBondContact O-N 2.92Å; L357-V359 VanDerWaalsContact C-N 3.33Å; L357-V359 PolarHBondContact O-N 3.18Å; L357-L360 PolarHBondContact O-N 3.47Å; L357-L361 WeakPolarHBondContact O-CB 3.25Å; L357-L361 PolarHBondContact O-N 3.08Å |
| 358 | A | 94.4 | Very high | 92.5 | Very high | 53 Ų | 53 | 47.8 Ų | 47.8 | 44% | 0.438 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C354 L355 N356 A362 | C354-A358 PolarHBondContact O-N 3.44Å; L355-A358 PolarHBondContact O-N 3.31Å; N356-A358 PolarHBondContact O-N 2.9Å; A358-A362 VanDerWaalsContact O-CB 3.3Å; A358-A362 WeakPolarHBondContact O-CB 3.25Å; A358-A362 PolarHBondContact O-N 3.31Å |
| 359 | V | 93.3 | Very high | 92 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 32% | 0.321 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.8 | -49.3 | 177.2 | 170 | 0 | 0 | 0 | 0 | 111.1 | L355 N356 L357 A362 D363 F368 | L355-V359 HydrophobicContact CD1-CG2 4.41Å; L355-V359 WeakPolarHBondContact O-CG2 3.37Å; L355-V359 PolarHBondContact O-N 3.33Å; N356-V359 PolarHBondContact O-N 2.99Å; L357-V359 VanDerWaalsContact C-N 3.33Å; L357-V359 PolarHBondContact O-N 3.18Å; V359-A362 PolarHBondContact O-N 3.07Å; V359-D363 PolarHBondContact O-N 3.1Å; V359-F368 HydrophobicContact CG1-CZ 4.18Å |
| 360 | L | 92 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.4 | -39 | 179.1 | -71.6 | 179 | 0 | 0 | 0 | 112.1 | I299 L303 L307 N356 L357 D363 V364 I375 I378 | I299-L360 HydrophobicContact CB-CD1 4.42Å; I299-L360 HydrophobicContact CD1-CD1 4.11Å; I299-L360 HydrophobicContact CG1-CD1 4.07Å; I299-L360 HydrophobicContact CG2-CD1 3.48Å; I299-L360 VanDerWaalsContact CG2-CD1 3.48Å; L303-L360 HydrophobicContact CD1-CB 4.08Å; L307-L360 HydrophobicContact CD1-CD2 4.09Å; N356-L360 PolarHBondContact O-N 3.22Å; L357-L360 PolarHBondContact O-N 3.47Å; L360-D363 PolarHBondContact O-N 3.06Å; L360-V364 WeakPolarHBondContact O-CG2 3.19Å; L360-V364 PolarHBondContact O-N 3.47Å; L360-I375 HydrophobicContact CD2-CD1 3.67Å; L360-I378 HydrophobicContact CD1-CG2 3.91Å; L360-I378 HydrophobicContact CD2-CD1 4.4Å; L360-I378 HydrophobicContact CD2-CG2 3.81Å; L360-I378 HydrophobicContact CG-CG2 3.98Å |
| 361 | L | 90.1 | Very high | 91 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 174.9 | -174.3 | 65.9 | 0 | 0 | 0 | 110.9 | L303 L357 D363 V364 F365 L431 | L303-L361 HydrophobicContact CD1-CB 4.17Å; L303-L361 HydrophobicContact CD1-CD1 4.39Å; L303-L361 HydrophobicContact CD2-CD1 3.74Å; L357-L361 WeakPolarHBondContact O-CB 3.25Å; L357-L361 PolarHBondContact O-N 3.08Å; L361-D363 VanDerWaalsContact C-N 3.27Å; L361-D363 PolarHBondContact O-N 3.32Å; L361-V364 PolarHBondContact O-N 3.3Å; L361-F365 HydrophobicContact CD1-CD2 4.42Å; L361-F365 HydrophobicContact CD1-CE2 3.77Å; L361-F365 HydrophobicContact CG-CD2 4.3Å; L361-F365 HydrophobicContact CG-CE2 3.93Å; L361-F365 WeakPolarHBondContact O-CD2 2.96Å; L361-F365 PolarHBondContact O-N 2.68Å; L361-L431 HydrophobicContact CD1-CD2 4.47Å |
| 362 | A | 90.6 | Very high | 90.5 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A358 V359 F365 L366 F368 | A358-A362 VanDerWaalsContact O-CB 3.3Å; A358-A362 WeakPolarHBondContact O-CB 3.25Å; A358-A362 PolarHBondContact O-N 3.31Å; V359-A362 PolarHBondContact O-N 3.07Å; A362-F365 PolarHBondContact O-N 3.02Å; A362-L366 VanDerWaalsContact O-CB 3.3Å; A362-L366 WeakPolarHBondContact O-CB 3.22Å; A362-L366 WeakPolarHBondContact O-CG 3.23Å; A362-L366 PolarHBondContact O-N 3.41Å; A362-F368 HydrophobicContact CB-CE1 4.27Å |
| 363 | D | 88.7 | Confident | 90.2 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -37.4 | 176 | -171.3 | 57.9 | 0 | 0 | 0 | 112.6 | V359 L360 L361 F365 L366 S367 F368 L369 | V359-D363 PolarHBondContact O-N 3.1Å; L360-D363 PolarHBondContact O-N 3.06Å; L361-D363 VanDerWaalsContact C-N 3.27Å; L361-D363 PolarHBondContact O-N 3.32Å; D363-F365 PolarHBondContact O-N 3.06Å; D363-L366 PolarHBondContact O-N 2.8Å; D363-S367 WeakPolarHBondContact O-CA 3.48Å; D363-S367 PolarHBondContact O-N 2.92Å; D363-F368 HydrophobicContact CB-CD1 4.1Å; D363-F368 HydrophobicContact CB-CE1 3.67Å; D363-F368 HydrophobicContact CB-CZ 4.24Å; D363-F368 PolarHBondContact OD1-N 2.94Å; D363-L369 HydrophobicContact CB-CD1 3.95Å; D363-L369 HydrophobicContact CB-CG 4.25Å; D363-L369 WeakPolarHBondContact OD1-CB 3.35Å; D363-L369 WeakPolarHBondContact OD1-CG 3.26Å; D363-L369 PolarHBondContact OD1-N 3.19Å |
| 364 | V | 85.4 | Confident | 89.9 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.6 | -39.5 | 173.1 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | F91 L303 L306 L307 L360 L361 | F91-V364 HydrophobicContact CZ-CG1 4.25Å; L303-V364 HydrophobicContact CB-CG2 4.43Å; L303-V364 HydrophobicContact CD2-CG2 4.3Å; L306-V364 HydrophobicContact CB-CG1 4.37Å; L306-V364 HydrophobicContact CD1-CG1 4.28Å; L307-V364 HydrophobicContact CD2-CG2 3.6Å; L307-V364 HydrophobicContact CG-CG2 3.93Å; L360-V364 WeakPolarHBondContact O-CG2 3.19Å; L360-V364 PolarHBondContact O-N 3.47Å; L361-V364 PolarHBondContact O-N 3.3Å |
| 365 | F | 84 | Confident | 89.7 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 40% | 0.399 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -81.3 | -41.9 | 179.3 | -71.6 | -69.5 | 0 | 0 | 0 | 114.1 | L361 A362 D363 L435 | L361-F365 HydrophobicContact CD1-CD2 4.42Å; L361-F365 HydrophobicContact CD1-CE2 3.77Å; L361-F365 HydrophobicContact CG-CD2 4.3Å; L361-F365 HydrophobicContact CG-CE2 3.93Å; L361-F365 WeakPolarHBondContact O-CD2 2.96Å; L361-F365 PolarHBondContact O-N 2.68Å; A362-F365 PolarHBondContact O-N 3.02Å; D363-F365 PolarHBondContact O-N 3.06Å; F365-L435 HydrophobicContact CE1-CD2 3.64Å; F365-L435 HydrophobicContact CZ-CD2 3.78Å |
| 366 | L | 86.8 | Confident | 89.5 | Confident | 131 Ų | 131 | 51.8 Ų | 51.8 | 69% | 0.686 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -100 | -18.7 | -170.1 | -58.9 | 176.5 | 0 | 0 | 0 | 113.4 | A362 D363 F368 | A362-L366 VanDerWaalsContact O-CB 3.3Å; A362-L366 WeakPolarHBondContact O-CB 3.22Å; A362-L366 WeakPolarHBondContact O-CG 3.23Å; A362-L366 PolarHBondContact O-N 3.41Å; D363-L366 PolarHBondContact O-N 2.8Å; L366-F368 VanDerWaalsContact C-N 3.34Å; L366-F368 HydrophobicContact CB-CD1 4.21Å; L366-F368 PolarHBondContact O-N 3.4Å |
| 367 | S | 84.4 | Confident | 89.4 | Confident | 54 Ų | 54 | 54 Ų | 54 | 38% | 0.378 | 30% | 0.301 | S | S | . | . | trans | 48.8 | 50.5 | -176.3 | -55 | 0 | 0 | 0 | 0 | 112.9 | R90 D363 | R90-S367 PolarHBondContact NH1-OG 3.4Å; R90-S367 VanDerWaalsContact NH1-OG 3.16Å; R90-S367 PolarHBondContact NH2-OG 3.26Å; D363-S367 WeakPolarHBondContact O-CA 3.48Å; D363-S367 PolarHBondContact O-N 2.92Å | ||
| 368 | F | 88.4 | Confident | 89.4 | Confident | 106 Ų | 106 | 54.5 Ų | 54.5 | 47% | 0.465 | 30% | 0.303 | S | S | . | . | trans | -91.4 | -19.3 | -173.6 | 72.5 | -94.2 | 0 | 0 | 0 | 113 | V359 A362 D363 L366 P370 | V359-F368 HydrophobicContact CG1-CZ 4.18Å; A362-F368 HydrophobicContact CB-CE1 4.27Å; D363-F368 HydrophobicContact CB-CD1 4.1Å; D363-F368 HydrophobicContact CB-CE1 3.67Å; D363-F368 HydrophobicContact CB-CZ 4.24Å; D363-F368 PolarHBondContact OD1-N 2.94Å; L366-F368 VanDerWaalsContact C-N 3.34Å; L366-F368 HydrophobicContact CB-CD1 4.21Å; L366-F368 PolarHBondContact O-N 3.4Å; F368-P370 WeakPolarHBondContact O-CD 3.05Å | ||
| 369 | L | 86.4 | Confident | 89.4 | Confident | 24 Ų | 24 | 52 Ų | 52 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | trans | -74.1 | 121.4 | 177.3 | -70.1 | 175.1 | 0 | 0 | 0 | 109.9 | F309 D363 L374 I375 I378 | F309-L369 WeakPolarHBondContact CE1-O 3.41Å; F309-L369 HydrophobicContact CZ-CB 4.48Å; D363-L369 HydrophobicContact CB-CD1 3.95Å; D363-L369 HydrophobicContact CB-CG 4.25Å; D363-L369 WeakPolarHBondContact OD1-CB 3.35Å; D363-L369 WeakPolarHBondContact OD1-CG 3.26Å; D363-L369 PolarHBondContact OD1-N 3.19Å; L369-L374 HydrophobicContact CD2-CD1 4.43Å; L369-I375 HydrophobicContact CD1-CD1 3.36Å; L369-I375 HydrophobicContact CD1-CG1 4.24Å; L369-I378 HydrophobicContact CD1-CD1 3.96Å | ||
| 370 | P | 84 | Confident | 89.5 | Confident | 113 Ų | 113 | 51.7 Ų | 51.7 | 73% | 0.734 | 28% | 0.279 | S | S | * | . | trans | -85.4 | -12.8 | -170.7 | 32.2 | -37 | 0 | 0 | 0 | 114 | F368 L374 | F368-P370 WeakPolarHBondContact O-CD 3.05Å; P370-L374 HydrophobicContact CG-CD1 4.12Å | ||
| 371 | S | 87.4 | Confident | 89.8 | Confident | 39 Ų | 39 | 56 Ų | 56 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -144.1 | 136.6 | -168.4 | -174.1 | 0 | 0 | 0 | 0 | 112.9 | Y373 L374 | S371-Y373 PolarHBondContact O-N 3.43Å; S371-Y373 WeakPolarHBondContact OG-CD2 3.39Å; S371-Y373 PolarHBondContact OG-N 3.31Å; S371-L374 WeakPolarHBondContact O-CB 3.41Å; S371-L374 PolarHBondContact O-N 2.93Å | ||
| 372 | I | 87.2 | Confident | 90 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -30.4 | 173.6 | -167.2 | 170.3 | 0 | 0 | 0 | 112.7 | F309 T312 L314 Q319 Y323 L374 I375 F376 | F309-I372 HydrophobicContact CB-CB 4.26Å; F309-I372 HydrophobicContact CD2-CB 4.24Å; F309-I372 HydrophobicContact CD2-CG1 4.26Å; F309-I372 HydrophobicContact CG-CB 4.08Å; T312-I372 HydrophobicContact CG2-CB 4.1Å; T312-I372 HydrophobicContact CG2-CD1 4.33Å; T312-I372 HydrophobicContact CG2-CG2 3.76Å; L314-I372 HydrophobicContact CD1-CD1 4.25Å; Q319-I372 HydrophobicContact CB-CD1 4.27Å; Q319-I372 HydrophobicContact CG-CD1 3.59Å; Y323-I372 HydrophobicContact CE1-CG1 4.35Å; I372-L374 VanDerWaalsContact C-N 3.26Å; I372-L374 PolarHBondContact O-N 3.41Å; I372-I375 WeakPolarHBondContact O-CB 3.44Å; I372-I375 PolarHBondContact O-N 2.99Å; I372-I375 VanDerWaalsContact O-N 3.14Å; I372-F376 HydrophobicContact CD1-CE1 3.86Å; I372-F376 HydrophobicContact CD1-CE2 4.41Å; I372-F376 HydrophobicContact CD1-CZ 3.65Å; I372-F376 HydrophobicContact CG1-CD1 4.16Å; I372-F376 HydrophobicContact CG1-CE1 3.73Å; I372-F376 HydrophobicContact CG1-CE2 4.28Å; I372-F376 HydrophobicContact CG1-CZ 3.79Å; I372-F376 WeakPolarHBondContact O-CG 3.25Å; I372-F376 PolarHBondContact O-N 3.33Å |
| 373 | Y | 90.1 | Very high | 90.3 | Very high | 172 Ų | 172 | 51.9 Ų | 51.9 | 68% | 0.675 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68.1 | -28.1 | -179.2 | -60.6 | -69.5 | 0 | 0 | 0 | 112.4 | S371 F376 A377 | S371-Y373 PolarHBondContact O-N 3.43Å; S371-Y373 WeakPolarHBondContact OG-CD2 3.39Å; S371-Y373 PolarHBondContact OG-N 3.31Å; Y373-F376 HydrophobicContact CD1-CD2 4.03Å; Y373-F376 HydrophobicContact CD1-CE2 4.42Å; Y373-F376 PolarHBondContact O-N 2.84Å; Y373-A377 PolarHBondContact O-N 3.42Å |
| 374 | L | 91.1 | Very high | 90.7 | Very high | 82 Ų | 82 | 55.1 Ų | 55.1 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | 172.7 | -67 | 173.3 | 0 | 0 | 0 | 110.7 | L369 P370 S371 I372 A377 I378 | L369-L374 HydrophobicContact CD2-CD1 4.43Å; P370-L374 HydrophobicContact CG-CD1 4.12Å; S371-L374 WeakPolarHBondContact O-CB 3.41Å; S371-L374 PolarHBondContact O-N 2.93Å; I372-L374 VanDerWaalsContact C-N 3.26Å; I372-L374 PolarHBondContact O-N 3.41Å; L374-A377 PolarHBondContact O-N 2.95Å; L374-I378 WeakPolarHBondContact O-CG1 3.47Å; L374-I378 PolarHBondContact O-N 3.46Å |
| 375 | I | 91.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 172.8 | -65 | -69.6 | 0 | 0 | 0 | 110.4 | F309 Y323 L360 L369 I372 A377 I378 V379 | F309-I375 HydrophobicContact CE2-CB 4.47Å; F309-I375 HydrophobicContact CE2-CD1 4.47Å; F309-I375 HydrophobicContact CE2-CG1 3.6Å; F309-I375 HydrophobicContact CZ-CD1 4.46Å; F309-I375 HydrophobicContact CZ-CG1 3.7Å; Y323-I375 HydrophobicContact CD1-CG2 4.13Å; Y323-I375 HydrophobicContact CE1-CB 4.4Å; Y323-I375 HydrophobicContact CE1-CG2 3.47Å; Y323-I375 VanDerWaalsContact CE1-CG2 3.47Å; L360-I375 HydrophobicContact CD2-CD1 3.67Å; L369-I375 HydrophobicContact CD1-CD1 3.36Å; L369-I375 HydrophobicContact CD1-CG1 4.24Å; I372-I375 WeakPolarHBondContact O-CB 3.44Å; I372-I375 PolarHBondContact O-N 2.99Å; I372-I375 VanDerWaalsContact O-N 3.14Å; I375-A377 VanDerWaalsContact C-N 3.26Å; I375-A377 PolarHBondContact O-N 3.44Å; I375-I378 CarbonylContact O-C 3.57Å; I375-I378 PolarHBondContact O-N 2.97Å; I375-V379 HydrophobicContact CG2-CG2 3.94Å; I375-V379 WeakPolarHBondContact O-CB 3.4Å; I375-V379 VanDerWaalsContact O-CG2 3.27Å; I375-V379 WeakPolarHBondContact O-CG2 3.41Å; I375-V379 PolarHBondContact O-N 3.42Å |
| 376 | F | 92.6 | Very high | 91.7 | Very high | 30 Ų | 30 | 50.8 Ų | 50.8 | 13% | 0.132 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.9 | -42.2 | 174.9 | -73.2 | -9.1 | 0 | 0 | 0 | 112.6 | L314 W322 Y323 L326 I372 Y373 L380 | L314-F376 HydrophobicContact CD1-CZ 4.05Å; W322-F376 HydrophobicContact CB-CE1 3.83Å; W322-F376 HydrophobicContact CB-CZ 3.8Å; W322-F376 HydrophobicContact CG-CZ 4.2Å; Y323-F376 AromaticContact CD1-CD1 3.61Å; Y323-F376 HydrophobicContact CD1-CD1 3.61Å; Y323-F376 AromaticContact CD1-CE1 3.53Å; Y323-F376 HydrophobicContact CD1-CE1 3.53Å; Y323-F376 AromaticContact CE1-CD1 3.5Å; Y323-F376 HydrophobicContact CE1-CD1 3.5Å; Y323-F376 AromaticContact CE1-CE1 3.33Å; Y323-F376 HydrophobicContact CE1-CE1 3.33Å; L326-F376 HydrophobicContact CD1-CB 3.43Å; L326-F376 VanDerWaalsContact CD1-CB 3.43Å; L326-F376 HydrophobicContact CD1-CD1 3.58Å; L326-F376 HydrophobicContact CD1-CD2 4.12Å; L326-F376 HydrophobicContact CD1-CE1 4.32Å; L326-F376 HydrophobicContact CD1-CG 3.45Å; L326-F376 VanDerWaalsContact CD1-CG 3.45Å; I372-F376 HydrophobicContact CD1-CE1 3.86Å; I372-F376 HydrophobicContact CD1-CE2 4.41Å; I372-F376 HydrophobicContact CD1-CZ 3.65Å; I372-F376 HydrophobicContact CG1-CD1 4.16Å; I372-F376 HydrophobicContact CG1-CE1 3.73Å; I372-F376 HydrophobicContact CG1-CE2 4.28Å; I372-F376 HydrophobicContact CG1-CZ 3.79Å; I372-F376 WeakPolarHBondContact O-CG 3.25Å; I372-F376 PolarHBondContact O-N 3.33Å; Y373-F376 HydrophobicContact CD1-CD2 4.03Å; Y373-F376 HydrophobicContact CD1-CE2 4.42Å; Y373-F376 PolarHBondContact O-N 2.84Å; F376-L380 WeakPolarHBondContact O-CB 3.3Å; F376-L380 PolarHBondContact O-N 2.96Å |
| 377 | A | 95.1 | Very high | 92.1 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 48% | 0.479 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y373 L374 I375 L380 Y381 | Y373-A377 PolarHBondContact O-N 3.42Å; L374-A377 PolarHBondContact O-N 2.95Å; I375-A377 VanDerWaalsContact C-N 3.26Å; I375-A377 PolarHBondContact O-N 3.44Å; A377-L380 PolarHBondContact O-N 3.04Å; A377-Y381 VanDerWaalsContact O-CB 3.32Å; A377-Y381 WeakPolarHBondContact O-CB 3.38Å; A377-Y381 PolarHBondContact O-N 3.07Å |
| 378 | I | 94.6 | Very high | 92.7 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 177.1 | -72.5 | 162.4 | 0 | 0 | 0 | 111.6 | N356 L360 L369 L374 I375 Y381 E382 | N356-I378 WeakPolarHBondContact OD1-CG2 3.38Å; L360-I378 HydrophobicContact CD1-CG2 3.91Å; L360-I378 HydrophobicContact CD2-CD1 4.4Å; L360-I378 HydrophobicContact CD2-CG2 3.81Å; L360-I378 HydrophobicContact CG-CG2 3.98Å; L369-I378 HydrophobicContact CD1-CD1 3.96Å; L374-I378 WeakPolarHBondContact O-CG1 3.47Å; L374-I378 PolarHBondContact O-N 3.46Å; I375-I378 CarbonylContact O-C 3.57Å; I375-I378 PolarHBondContact O-N 2.97Å; I378-Y381 WeakPolarHBondContact O-CB 3.39Å; I378-Y381 PolarHBondContact O-N 3.37Å; I378-E382 WeakPolarHBondContact O-CB 3.35Å; I378-E382 PolarHBondContact O-N 3.02Å |
| 379 | V | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.8 | -39 | 178.9 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | F304 Y323 L326 I375 Y381 E382 G383 | F304-V379 HydrophobicContact CE1-CG2 3.5Å; F304-V379 VanDerWaalsContact CE1-CG2 3.5Å; F304-V379 HydrophobicContact CE2-CG1 4.01Å; F304-V379 HydrophobicContact CE2-CG2 4.37Å; F304-V379 HydrophobicContact CZ-CB 4.08Å; F304-V379 HydrophobicContact CZ-CG1 3.58Å; F304-V379 HydrophobicContact CZ-CG2 3.4Å; Y323-V379 HydrophobicContact CD1-CG2 4.34Å; Y323-V379 WeakPolarHBondContact O-CG1 3.43Å; L326-V379 HydrophobicContact CB-CG1 4.25Å; I375-V379 HydrophobicContact CG2-CG2 3.94Å; I375-V379 WeakPolarHBondContact O-CB 3.4Å; I375-V379 VanDerWaalsContact O-CG2 3.27Å; I375-V379 WeakPolarHBondContact O-CG2 3.41Å; I375-V379 PolarHBondContact O-N 3.42Å; V379-Y381 VanDerWaalsContact C-N 3.32Å; V379-E382 WeakPolarHBondContact O-CB 3.22Å; V379-E382 PolarHBondContact O-N 2.81Å; V379-G383 PolarHBondContact O-N 3.27Å; V379-G383 VanDerWaalsContact O-N 3.13Å |
| 380 | L | 95.9 | Very high | 93.5 | Very high | 48 Ų | 48 | 36.2 Ų | 36.2 | 25% | 0.251 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 171.9 | -177.7 | 64.3 | 0 | 0 | 0 | 111.2 | L326 T329 F376 A377 G383 F384 | L326-L380 VanDerWaalsContact O-CD1 3.26Å; L326-L380 WeakPolarHBondContact O-CD1 3.29Å; T329-L380 HydrophobicContact CG2-CD1 4.38Å; F376-L380 WeakPolarHBondContact O-CB 3.3Å; F376-L380 PolarHBondContact O-N 2.96Å; A377-L380 PolarHBondContact O-N 3.04Å; L380-G383 PolarHBondContact O-N 2.95Å; L380-F384 HydrophobicContact CD1-CE1 4.46Å; L380-F384 HydrophobicContact CD1-CE2 4.4Å; L380-F384 HydrophobicContact CD1-CZ 4.05Å; L380-F384 HydrophobicContact CD2-CE2 4.16Å; L380-F384 HydrophobicContact CD2-CZ 4.19Å; L380-F384 HydrophobicContact CG-CD2 4.47Å; L380-F384 HydrophobicContact CG-CE2 3.77Å; L380-F384 HydrophobicContact CG-CZ 3.88Å; L380-F384 WeakPolarHBondContact O-CD2 3.42Å; L380-F384 PolarHBondContact O-N 3.3Å; L380-F384 VanDerWaalsContact O-N 3.09Å |
| 381 | Y | 96.8 | Very high | 94 | Very high | 89 Ų | 89 | 30.9 Ų | 30.9 | 35% | 0.349 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 176.2 | 172.9 | -111.5 | 0 | 0 | 0 | 112.9 | A377 I378 V379 G383 F384 L385 | A377-Y381 VanDerWaalsContact O-CB 3.32Å; A377-Y381 WeakPolarHBondContact O-CB 3.38Å; A377-Y381 PolarHBondContact O-N 3.07Å; I378-Y381 WeakPolarHBondContact O-CB 3.39Å; I378-Y381 PolarHBondContact O-N 3.37Å; V379-Y381 VanDerWaalsContact C-N 3.32Å; Y381-G383 VanDerWaalsContact C-N 3.33Å; Y381-G383 PolarHBondContact O-N 3.22Å; Y381-F384 WeakPolarHBondContact O-CB 3.18Å; Y381-F384 PolarHBondContact O-N 2.84Å; Y381-F384 VanDerWaalsContact O-N 3.1Å; Y381-L385 HydrophobicContact CD1-CD1 4.12Å; Y381-L385 HydrophobicContact CE1-CD1 3.47Å; Y381-L385 VanDerWaalsContact CE1-CD1 3.47Å; Y381-L385 HydrophobicContact CE1-CG 4.15Å; Y381-L385 HydrophobicContact CE2-CD1 4.21Å; Y381-L385 HydrophobicContact CE2-CD2 4.05Å; Y381-L385 HydrophobicContact CE2-CG 4.03Å; Y381-L385 PolarHBondContact O-N 2.95Å |
| 382 | E | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -53.6 | -50.3 | 172.1 | -175.8 | -149.5 | 153.3 | 0 | 0 | 111.1 | E296 I299 N300 F304 N356 I378 V379 F384 L385 G386 | E296-E382 WeakPolarHBondContact CG-OE1 3.22Å; I299-E382 HydrophobicContact CD1-CG 4.19Å; I299-E382 WeakPolarHBondContact CG2-OE2 3.3Å; N300-E382 PolarHBondContact ND2-OE1 2.96Å; F304-E382 WeakPolarHBondContact CZ-OE2 3.47Å; N356-E382 WeakPolarHBondContact ND2-CB 3.37Å; I378-E382 WeakPolarHBondContact O-CB 3.35Å; I378-E382 PolarHBondContact O-N 3.02Å; V379-E382 WeakPolarHBondContact O-CB 3.22Å; V379-E382 PolarHBondContact O-N 2.81Å; E382-F384 VanDerWaalsContact C-N 3.27Å; E382-F384 PolarHBondContact O-N 2.97Å; E382-L385 PolarHBondContact O-N 2.94Å; E382-L385 VanDerWaalsContact O-N 3.16Å; E382-G386 PolarHBondContact O-N 2.93Å |
| 383 | G | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -36 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G330 V331 S334 V379 L380 Y381 G387 | G330-G383 CarbonylContact C-O 3.57Å; V331-G383 VanDerWaalsContact CA-O 3.28Å; V331-G383 WeakPolarHBondContact CA-O 3.44Å; V331-G383 PolarHBondContact N-O 3.48Å; S334-G383 PolarHBondContact OG-O 3.27Å; V379-G383 PolarHBondContact O-N 3.27Å; V379-G383 VanDerWaalsContact O-N 3.13Å; L380-G383 PolarHBondContact O-N 2.95Å; Y381-G383 VanDerWaalsContact C-N 3.33Å; Y381-G383 PolarHBondContact O-N 3.22Å; G383-G387 PolarHBondContact O-N 2.97Å; G383-G387 VanDerWaalsContact O-N 3.11Å |
| 384 | F | 96.4 | Very high | 95 | Very high | 74 Ų | 74 | 20.5 Ų | 20.5 | 33% | 0.325 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.8 | -68.2 | -42.1 | 0 | 0 | 0 | 112.7 | G330 V333 S334 L380 Y381 E382 A388 | G330-F384 VanDerWaalsContact O-CD1 3.28Å; G330-F384 WeakPolarHBondContact O-CD1 3.45Å; V333-F384 HydrophobicContact CB-CD1 4.42Å; V333-F384 HydrophobicContact CB-CE1 3.82Å; V333-F384 HydrophobicContact CG1-CD1 4.36Å; V333-F384 HydrophobicContact CG1-CE1 3.68Å; S334-F384 WeakPolarHBondContact CB-O 3.48Å; S334-F384 PolarHBondContact OG-O 3.38Å; L380-F384 HydrophobicContact CD1-CE1 4.46Å; L380-F384 HydrophobicContact CD1-CE2 4.4Å; L380-F384 HydrophobicContact CD1-CZ 4.05Å; L380-F384 HydrophobicContact CD2-CE2 4.16Å; L380-F384 HydrophobicContact CD2-CZ 4.19Å; L380-F384 HydrophobicContact CG-CD2 4.47Å; L380-F384 HydrophobicContact CG-CE2 3.77Å; L380-F384 HydrophobicContact CG-CZ 3.88Å; L380-F384 WeakPolarHBondContact O-CD2 3.42Å; L380-F384 PolarHBondContact O-N 3.3Å; L380-F384 VanDerWaalsContact O-N 3.09Å; Y381-F384 WeakPolarHBondContact O-CB 3.18Å; Y381-F384 PolarHBondContact O-N 2.84Å; Y381-F384 VanDerWaalsContact O-N 3.1Å; E382-F384 VanDerWaalsContact C-N 3.27Å; E382-F384 PolarHBondContact O-N 2.97Å; F384-A388 WeakPolarHBondContact O-CB 3.36Å; F384-A388 PolarHBondContact O-N 3.39Å |
| 385 | L | 96.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 17.1 Ų | 17.1 | 5% | 0.047 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 179.7 | -69.3 | 179.6 | 0 | 0 | 0 | 111.3 | L349 L352 Q353 Y381 E382 A389 | L349-L385 HydrophobicContact CD2-CD2 3.72Å; L352-L385 HydrophobicContact CB-CD1 3.8Å; L352-L385 HydrophobicContact CB-CD2 4.07Å; L352-L385 HydrophobicContact CD1-CD2 4.08Å; Q353-L385 HydrophobicContact CB-CD1 4.31Å; Y381-L385 HydrophobicContact CD1-CD1 4.12Å; Y381-L385 HydrophobicContact CE1-CD1 3.47Å; Y381-L385 VanDerWaalsContact CE1-CD1 3.47Å; Y381-L385 HydrophobicContact CE1-CG 4.15Å; Y381-L385 HydrophobicContact CE2-CD1 4.21Å; Y381-L385 HydrophobicContact CE2-CD2 4.05Å; Y381-L385 HydrophobicContact CE2-CG 4.03Å; Y381-L385 PolarHBondContact O-N 2.95Å; E382-L385 PolarHBondContact O-N 2.94Å; E382-L385 VanDerWaalsContact O-N 3.16Å; L385-A389 VanDerWaalsContact O-CB 3.28Å; L385-A389 WeakPolarHBondContact O-CB 3.48Å; L385-A389 PolarHBondContact O-N 3.46Å |
| 386 | G | 95.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.5 | -60.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E296 E382 A388 A389 Y390 | E296-G386 WeakPolarHBondContact OE2-CA 3.18Å; E382-G386 PolarHBondContact O-N 2.93Å; G386-A388 VanDerWaalsContact C-N 3.32Å; G386-A388 PolarHBondContact O-N 3.4Å; G386-A389 PolarHBondContact O-N 2.92Å; G386-Y390 PolarHBondContact O-N 3.35Å |
| 387 | G | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.5 | -34.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | S334 G383 Y390 V391 | S334-G387 WeakPolarHBondContact OG-CA 3.18Å; G383-G387 PolarHBondContact O-N 2.97Å; G383-G387 VanDerWaalsContact O-N 3.11Å; G387-Y390 PolarHBondContact O-N 2.92Å; G387-V391 WeakPolarHBondContact O-CG1 3.46Å; G387-V391 PolarHBondContact O-N 2.98Å; G387-V391 VanDerWaalsContact O-N 3.09Å |
| 388 | A | 96.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 13.7 Ų | 13.7 | 7% | 0.066 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S334 I343 L349 F384 G386 N392 | S334-A388 PolarHBondContact OG-N 2.56Å; I343-A388 HydrophobicContact CD1-CB 4.37Å; L349-A388 HydrophobicContact CD1-CB 4.06Å; F384-A388 WeakPolarHBondContact O-CB 3.36Å; F384-A388 PolarHBondContact O-N 3.39Å; G386-A388 VanDerWaalsContact C-N 3.32Å; G386-A388 PolarHBondContact O-N 3.4Å; A388-N392 VanDerWaalsContact O-CB 3.27Å; A388-N392 WeakPolarHBondContact O-CB 3.3Å; A388-N392 PolarHBondContact O-N 3.15Å; A388-N392 VanDerWaalsContact O-N 3.08Å; A388-N392 PolarHBondContact O-ND2 3.38Å |
| 389 | A | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L289 V292 I346 L349 L385 G386 T393 | L289-A389 HydrophobicContact CD1-CB 4.11Å; V292-A389 HydrophobicContact CB-CB 4.19Å; V292-A389 HydrophobicContact CG1-CB 3.84Å; V292-A389 HydrophobicContact CG2-CB 3.87Å; I346-A389 HydrophobicContact CG2-CB 4.37Å; L349-A389 HydrophobicContact CB-CB 4.3Å; L349-A389 HydrophobicContact CD1-CB 3.92Å; L385-A389 VanDerWaalsContact O-CB 3.28Å; L385-A389 WeakPolarHBondContact O-CB 3.48Å; L385-A389 PolarHBondContact O-N 3.46Å; G386-A389 PolarHBondContact O-N 2.92Å; A389-T393 WeakPolarHBondContact O-CB 3.02Å; A389-T393 PolarHBondContact O-N 3.36Å; A389-T393 PolarHBondContact O-OG1 3.1Å |
| 390 | Y | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.8 | -61.7 | 176.4 | -176.8 | -83.2 | 0 | 0 | 0 | 111.1 | E167 W185 S186 Y293 G386 G387 N392 T393 Y394 | E167-Y390 WeakPolarHBondContact OE1-CE2 3.33Å; E167-Y390 PolarHBondContact OE1-OH 3.42Å; W185-Y390 PolarHBondContact NE1-OH 3.43Å; S186-Y390 WeakPolarHBondContact OG-CD1 3.33Å; S186-Y390 WeakPolarHBondContact OG-CE1 3.32Å; Y293-Y390 HydrophobicContact CE2-CD2 4.16Å; Y293-Y390 AromaticContact CZ-CD2 3.94Å; Y293-Y390 WeakPolarHBondContact OH-CD2 3.42Å; G386-Y390 PolarHBondContact O-N 3.35Å; G387-Y390 PolarHBondContact O-N 2.92Å; Y390-N392 VanDerWaalsContact C-N 3.33Å; Y390-N392 PolarHBondContact O-N 3.27Å; Y390-T393 PolarHBondContact O-N 2.77Å; Y390-Y394 AromaticContact CD1-CD2 3.91Å; Y390-Y394 HydrophobicContact CD1-CD2 3.91Å; Y390-Y394 HydrophobicContact CD1-CE2 4.03Å; Y390-Y394 HydrophobicContact CD2-CD2 4.26Å; Y390-Y394 AromaticContact CD2-CE2 3.58Å; Y390-Y394 HydrophobicContact CD2-CE2 3.58Å; Y390-Y394 AromaticContact CE1-CD2 3.79Å; Y390-Y394 HydrophobicContact CE1-CD2 3.79Å; Y390-Y394 AromaticContact CE1-CE2 3.81Å; Y390-Y394 HydrophobicContact CE1-CE2 3.81Å; Y390-Y394 HydrophobicContact CE2-CD2 4.2Å; Y390-Y394 AromaticContact CE2-CE2 3.38Å; Y390-Y394 HydrophobicContact CE2-CE2 3.38Å; Y390-Y394 HydrophobicContact CG-CD2 4.16Å; Y390-Y394 AromaticContact CG-CE2 3.94Å; Y390-Y394 HydrophobicContact CG-CE2 3.94Å; Y390-Y394 AromaticContact CZ-CD2 3.95Å; Y390-Y394 AromaticContact CZ-CE2 3.49Å; Y390-Y394 VanDerWaalsContact CZ-CE2 3.49Å; Y390-Y394 WeakPolarHBondContact O-CD2 3.46Å; Y390-Y394 PolarHBondContact O-N 3.05Å |
| 391 | V | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | -171.5 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | S186 L338 G387 H395 | S186-V391 WeakPolarHBondContact OG-CB 3.43Å; L338-V391 HydrophobicContact CB-CG2 4.03Å; L338-V391 HydrophobicContact CD1-CG1 4.38Å; L338-V391 HydrophobicContact CD1-CG2 4.17Å; L338-V391 HydrophobicContact CD2-CG2 4.06Å; L338-V391 HydrophobicContact CG-CG2 4.31Å; G387-V391 WeakPolarHBondContact O-CG1 3.46Å; G387-V391 PolarHBondContact O-N 2.98Å; G387-V391 VanDerWaalsContact O-N 3.09Å; V391-H395 VanDerWaalsContact O-CB 3.26Å; V391-H395 WeakPolarHBondContact O-CB 3.48Å; V391-H395 PolarHBondContact O-N 3.39Å |
| 392 | N | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72.9 | -32.6 | -179.8 | -74.1 | -82.6 | 0 | 0 | 0 | 112 | R342 I343 I346 A388 Y390 N396 | R342-N392 WeakPolarHBondContact CA-OD1 3.29Å; I343-N392 HydrophobicContact CB-CB 4.46Å; I343-N392 PolarHBondContact N-OD1 3.14Å; I343-N392 WeakPolarHBondContact O-CB 3.47Å; I346-N392 HydrophobicContact CD1-CB 3.52Å; A388-N392 VanDerWaalsContact O-CB 3.27Å; A388-N392 WeakPolarHBondContact O-CB 3.3Å; A388-N392 PolarHBondContact O-N 3.15Å; A388-N392 VanDerWaalsContact O-N 3.08Å; A388-N392 PolarHBondContact O-ND2 3.38Å; Y390-N392 VanDerWaalsContact C-N 3.33Å; Y390-N392 PolarHBondContact O-N 3.27Å; N392-N396 VanDerWaalsContact O-CB 3.27Å; N392-N396 WeakPolarHBondContact O-CB 3.28Å; N392-N396 PolarHBondContact O-N 3.37Å; N392-N396 PolarHBondContact O-ND2 3.42Å |
| 393 | T | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.9 | -54.2 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | Y285 L289 I346 A389 Y390 H395 N396 V397 | Y285-T393 HydrophobicContact CD1-CG2 4.31Å; Y285-T393 HydrophobicContact CG-CG2 4.29Å; L289-T393 HydrophobicContact CD2-CG2 3.82Å; I346-T393 WeakPolarHBondContact CG2-OG1 3.45Å; A389-T393 WeakPolarHBondContact O-CB 3.02Å; A389-T393 PolarHBondContact O-N 3.36Å; A389-T393 PolarHBondContact O-OG1 3.1Å; Y390-T393 PolarHBondContact O-N 2.77Å; T393-H395 VanDerWaalsContact C-N 3.31Å; T393-H395 PolarHBondContact O-N 3.06Å; T393-N396 PolarHBondContact O-N 3.01Å; T393-V397 HydrophobicContact CG2-CG2 4.36Å; T393-V397 WeakPolarHBondContact O-CB 3.29Å; T393-V397 VanDerWaalsContact O-CG2 3.26Å; T393-V397 WeakPolarHBondContact O-CG2 3.42Å; T393-V397 PolarHBondContact O-N 2.92Å |
| 394 | Y | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -37.6 | 179.8 | -69 | -73.9 | 0 | 0 | 0 | 112.2 | L171 Y390 V397 A398 M410 A413 C414 | L171-Y394 HydrophobicContact CD1-CD1 4.22Å; L171-Y394 HydrophobicContact CD1-CE1 3.54Å; L171-Y394 HydrophobicContact CD1-CE2 4.35Å; L171-Y394 HydrophobicContact CD2-CD1 3.89Å; L171-Y394 HydrophobicContact CD2-CD2 4.46Å; L171-Y394 HydrophobicContact CD2-CE1 4.08Å; L171-Y394 HydrophobicContact CD2-CG 4.08Å; L171-Y394 HydrophobicContact CG-CE1 4.37Å; Y390-Y394 AromaticContact CD1-CD2 3.91Å; Y390-Y394 HydrophobicContact CD1-CD2 3.91Å; Y390-Y394 HydrophobicContact CD1-CE2 4.03Å; Y390-Y394 HydrophobicContact CD2-CD2 4.26Å; Y390-Y394 AromaticContact CD2-CE2 3.58Å; Y390-Y394 HydrophobicContact CD2-CE2 3.58Å; Y390-Y394 AromaticContact CE1-CD2 3.79Å; Y390-Y394 HydrophobicContact CE1-CD2 3.79Å; Y390-Y394 AromaticContact CE1-CE2 3.81Å; Y390-Y394 HydrophobicContact CE1-CE2 3.81Å; Y390-Y394 HydrophobicContact CE2-CD2 4.2Å; Y390-Y394 AromaticContact CE2-CE2 3.38Å; Y390-Y394 HydrophobicContact CE2-CE2 3.38Å; Y390-Y394 HydrophobicContact CG-CD2 4.16Å; Y390-Y394 AromaticContact CG-CE2 3.94Å; Y390-Y394 HydrophobicContact CG-CE2 3.94Å; Y390-Y394 AromaticContact CZ-CD2 3.95Å; Y390-Y394 AromaticContact CZ-CE2 3.49Å; Y390-Y394 VanDerWaalsContact CZ-CE2 3.49Å; Y390-Y394 WeakPolarHBondContact O-CD2 3.46Å; Y390-Y394 PolarHBondContact O-N 3.05Å; Y394-V397 PolarHBondContact O-N 3.49Å; Y394-A398 WeakPolarHBondContact O-CB 3.29Å; Y394-A398 PolarHBondContact O-N 2.94Å; Y394-M410 HydrophobicContact CD1-SD 3.88Å; Y394-M410 WeakPolarHBondContact O-CE 3.39Å; Y394-A413 HydrophobicContact CE1-CB 4.15Å; Y394-C414 VanDerWaalsContact OH-CA 3.32Å; Y394-C414 WeakPolarHBondContact OH-CA 3.46Å |
| 395 | H | 94.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.046 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.7 | -172.7 | 65.3 | 0 | 0 | 0 | 112.4 | L338 V391 T393 A398 L399 | L338-H395 HydrophobicContact CD1-CB 3.9Å; L338-H395 HydrophobicContact CD2-CB 3.94Å; V391-H395 VanDerWaalsContact O-CB 3.26Å; V391-H395 WeakPolarHBondContact O-CB 3.48Å; V391-H395 PolarHBondContact O-N 3.39Å; T393-H395 VanDerWaalsContact C-N 3.31Å; T393-H395 PolarHBondContact O-N 3.06Å; H395-A398 WeakPolarHBondContact O-CB 3.45Å; H395-A398 PolarHBondContact O-N 3.32Å; H395-L399 WeakPolarHBondContact NE2-CD1 3.29Å; H395-L399 WeakPolarHBondContact O-CG 3.47Å; H395-L399 PolarHBondContact O-N 2.69Å; H395-L399 VanDerWaalsContact O-N 3.16Å |
| 396 | N | 93.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 178.6 | -66.1 | -26.3 | 0 | 0 | 0 | 111.2 | Y285 I343 N392 T393 A398 L399 E400 | Y285-N396 HydrophobicContact CE1-CB 3.81Å; I343-N396 PolarHBondContact O-ND2 3.5Å; I343-N396 VanDerWaalsContact O-ND2 3.14Å; N392-N396 VanDerWaalsContact O-CB 3.27Å; N392-N396 WeakPolarHBondContact O-CB 3.28Å; N392-N396 PolarHBondContact O-N 3.37Å; N392-N396 PolarHBondContact O-ND2 3.42Å; T393-N396 PolarHBondContact O-N 3.01Å; N396-A398 VanDerWaalsContact C-N 3.28Å; N396-A398 PolarHBondContact O-N 3.24Å; N396-L399 PolarHBondContact O-N 2.82Å; N396-E400 WeakPolarHBondContact O-CB 3.37Å; N396-E400 WeakPolarHBondContact O-CG 3.22Å; N396-E400 PolarHBondContact O-N 3.06Å |
| 397 | V | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 173.3 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | L282 Y285 T393 Y394 L399 T401 A409 M410 | L282-V397 HydrophobicContact CD2-CG1 4Å; L282-V397 HydrophobicContact CD2-CG2 3.99Å; Y285-V397 HydrophobicContact CD2-CG2 3.59Å; Y285-V397 HydrophobicContact CE2-CG2 4.09Å; Y285-V397 HydrophobicContact CG-CG2 3.99Å; T393-V397 HydrophobicContact CG2-CG2 4.36Å; T393-V397 WeakPolarHBondContact O-CB 3.29Å; T393-V397 VanDerWaalsContact O-CG2 3.26Å; T393-V397 WeakPolarHBondContact O-CG2 3.42Å; T393-V397 PolarHBondContact O-N 2.92Å; Y394-V397 PolarHBondContact O-N 3.49Å; V397-L399 VanDerWaalsContact C-N 3.32Å; V397-L399 PolarHBondContact O-N 3.38Å; V397-T401 WeakPolarHBondContact O-CB 3.5Å; V397-T401 PolarHBondContact O-N 3.48Å; V397-T401 VanDerWaalsContact O-N 3.15Å; V397-T401 PolarHBondContact O-OG1 2.88Å; V397-A409 HydrophobicContact CG1-CB 3.86Å; V397-M410 HydrophobicContact CB-CE 4.47Å; V397-M410 HydrophobicContact CG1-CE 4.16Å; V397-M410 HydrophobicContact CG1-SD 4.11Å |
| 398 | A | 90.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -34.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | I182 Y394 H395 N396 R406 M410 | I182-A398 HydrophobicContact CD1-CB 3.3Å; Y394-A398 WeakPolarHBondContact O-CB 3.29Å; Y394-A398 PolarHBondContact O-N 2.94Å; H395-A398 WeakPolarHBondContact O-CB 3.45Å; H395-A398 PolarHBondContact O-N 3.32Å; N396-A398 VanDerWaalsContact C-N 3.28Å; N396-A398 PolarHBondContact O-N 3.24Å; A398-R406 WeakPolarHBondContact O-CD 3.1Å; A398-M410 HydrophobicContact CB-CE 3.32Å |
| 399 | L | 89.4 | Confident | 90.3 | Very high | 101 Ų | 101 | 31.7 Ų | 31.7 | 53% | 0.529 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -86.7 | -34.8 | -175.8 | -70.2 | 178.7 | 0 | 0 | 0 | 112.5 | H395 N396 V397 | H395-L399 WeakPolarHBondContact NE2-CD1 3.29Å; H395-L399 WeakPolarHBondContact O-CG 3.47Å; H395-L399 PolarHBondContact O-N 2.69Å; H395-L399 VanDerWaalsContact O-N 3.16Å; N396-L399 PolarHBondContact O-N 2.82Å; V397-L399 VanDerWaalsContact C-N 3.32Å; V397-L399 PolarHBondContact O-N 3.38Å |
| 400 | E | 88.6 | Confident | 90.1 | Very high | 82 Ų | 82 | 31.7 Ų | 31.7 | 38% | 0.383 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -91.6 | -18.3 | -174.6 | -65.6 | -175.6 | 171.4 | 0 | 0 | 113.2 | Y285 R344 N396 | Y285-E400 WeakPolarHBondContact CE2-OE2 3.45Å; Y285-E400 PolarHBondContact OH-OE1 3.13Å; Y285-E400 PolarHBondContact OH-OE2 3.19Å; R344-E400 IonicContact CZ-OE1 3.31Å; R344-E400 VanDerWaalsContact CZ-OE1 3.31Å; R344-E400 IonicContact NE-OE1 3.35Å; R344-E400 PolarHBondContact NE-OE1 3.34Å; R344-E400 IonicContact NH2-OE1 2.7Å; R344-E400 PolarHBondContact NH2-OE1 3.47Å; N396-E400 WeakPolarHBondContact O-CB 3.37Å; N396-E400 WeakPolarHBondContact O-CG 3.22Å; N396-E400 PolarHBondContact O-N 3.06Å |
| 401 | T | 88.5 | Confident | 89.8 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 15% | 0.147 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -90.6 | 135.7 | 178 | -47.7 | 0 | 0 | 0 | 0 | 110.6 | V397 H405 R406 A409 | V397-T401 WeakPolarHBondContact O-CB 3.5Å; V397-T401 PolarHBondContact O-N 3.48Å; V397-T401 VanDerWaalsContact O-N 3.15Å; V397-T401 PolarHBondContact O-OG1 2.88Å; T401-H405 HydrophobicContact CG2-CB 3.61Å; T401-R406 HydrophobicContact CG2-CB 4.45Å; T401-A409 HydrophobicContact CG2-CB 3.74Å |
| 402 | S | 84.3 | Confident | 89.6 | Confident | 64 Ų | 64 | 31.9 Ų | 31.9 | 45% | 0.448 | 16% | 0.161 | S | C | . | . | trans | -63.2 | 152 | 173 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | K404 H405 R406 | S402-K404 PolarHBondContact O-N 2.9Å; S402-K404 VanDerWaalsContact O-N 3.14Å; S402-H405 PolarHBondContact O-N 3.32Å; S402-H405 PolarHBondContact OG-CD2 3.3Å; S402-R406 PolarHBondContact O-N 3.48Å | ||
| 403 | D | 79.4 | Confident | 89.4 | Confident | 116 Ų | 116 | 31.9 Ų | 31.9 | 62% | 0.62 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -55 | -38.1 | -176.7 | -63.9 | -50.5 | 0 | 0 | 0 | 112.5 | H405 R406 | D403-H405 PolarHBondContact O-N 3.2Å; D403-R406 PolarHBondContact O-N 2.83Å; D403-R406 IonicContact OD1-CZ 3.05Å; D403-R406 IonicContact OD1-NE 3.93Å; D403-R406 IonicContact OD1-NH1 3.07Å; D403-R406 PolarHBondContact OD1-NH1 3.16Å; D403-R406 IonicContact OD1-NH2 2.76Å; D403-R406 PolarHBondContact OD1-NH2 3.25Å |
| 404 | K | 79.7 | Confident | 89.3 | Confident | 136 Ų | 136 | 31.9 Ų | 31.9 | 59% | 0.591 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -57.6 | -32.2 | 176.1 | -171.2 | -169.9 | 177.5 | -154.8 | 0 | 113.5 | L270 E274 S402 | L270-K404 HydrophobicContact CD2-CD 4.34Å; L270-K404 HydrophobicContact CD2-CG 4.48Å; E274-K404 IonicContact OE1-NZ 2.78Å; E274-K404 PolarHBondContact OE1-NZ 2.8Å; E274-K404 IonicContact OE2-NZ 3.51Å; S402-K404 PolarHBondContact O-N 2.9Å; S402-K404 VanDerWaalsContact O-N 3.14Å |
| 405 | H | 86.2 | Confident | 89.2 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 13% | 0.13 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -109.3 | -7.9 | -175.4 | -58.6 | -44.4 | 0 | 0 | 0 | 113.3 | L270 E274 V278 T401 S402 D403 E407 F408 A409 | L270-H405 WeakPolarHBondContact CD1-ND1 3.48Å; L270-H405 WeakPolarHBondContact CD2-CE1 3.41Å; E274-H405 IonicContact OE1-CE1 3.05Å; E274-H405 PolarHBondContact OE1-CE1 3.33Å; E274-H405 IonicContact OE1-NE2 3.44Å; E274-H405 PolarHBondContact OE1-NE2 2.73Å; V278-H405 HydrophobicContact CG1-CB 4.37Å; V278-H405 HydrophobicContact CG2-CB 4.12Å; T401-H405 HydrophobicContact CG2-CB 3.61Å; S402-H405 PolarHBondContact O-N 3.32Å; S402-H405 PolarHBondContact OG-CD2 3.3Å; D403-H405 PolarHBondContact O-N 3.2Å; H405-E407 PolarHBondContact O-N 3.18Å; H405-F408 PolarHBondContact O-N 2.9Å; H405-A409 WeakPolarHBondContact O-CB 3.5Å; H405-A409 PolarHBondContact O-N 3.48Å |
| 406 | R | 86.7 | Confident | 89.2 | Confident | 38 Ų | 38 | 32.4 Ų | 32.4 | 14% | 0.143 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | -171 | -174.1 | 165.9 | 62.2 | -154.8 | -7.2 | 112.3 | A175 A398 T401 S402 D403 A409 M410 | A175-R406 HydrophobicContact CB-CB 4.1Å; A175-R406 HydrophobicContact CB-CG 3.73Å; A175-R406 PolarHBondContact O-NE 2.87Å; A175-R406 PolarHBondContact O-NH2 3.31Å; A398-R406 WeakPolarHBondContact O-CD 3.1Å; T401-R406 HydrophobicContact CG2-CB 4.45Å; S402-R406 PolarHBondContact O-N 3.48Å; D403-R406 PolarHBondContact O-N 2.83Å; D403-R406 IonicContact OD1-CZ 3.05Å; D403-R406 IonicContact OD1-NE 3.93Å; D403-R406 IonicContact OD1-NH1 3.07Å; D403-R406 PolarHBondContact OD1-NH1 3.16Å; D403-R406 IonicContact OD1-NH2 2.76Å; D403-R406 PolarHBondContact OD1-NH2 3.25Å; R406-A409 PolarHBondContact O-N 3.29Å; R406-M410 HydrophobicContact CG-CE 4.12Å; R406-M410 VanDerWaalsContact O-CG 3.29Å; R406-M410 WeakPolarHBondContact O-CG 3.45Å; R406-M410 PolarHBondContact O-N 3.3Å |
| 407 | E | 88.6 | Confident | 89.1 | Confident | 25 Ų | 25 | 32.1 Ų | 32.1 | 12% | 0.117 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.3 | -55.8 | 176.9 | -172.1 | -179.6 | -178.1 | 0 | 0 | 111.3 | Y125 A175 H405 A409 M410 E411 | Y125-E407 PolarHBondContact OH-OE1 3.31Å; A175-E407 HydrophobicContact CB-CB 4.2Å; H405-E407 PolarHBondContact O-N 3.18Å; E407-A409 VanDerWaalsContact C-N 3.29Å; E407-A409 PolarHBondContact O-N 2.8Å; E407-M410 PolarHBondContact O-N 3.12Å; E407-E411 WeakPolarHBondContact O-CG 3.16Å; E407-E411 PolarHBondContact O-N 3.31Å; E407-E411 VanDerWaalsContact O-N 3.11Å |
| 408 | F | 89.7 | Confident | 89.1 | Confident | 25 Ų | 25 | 32.2 Ų | 32.2 | 11% | 0.11 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -39.2 | 177.1 | 173.5 | -97 | 0 | 0 | 0 | 112.5 | P117 R275 V278 H405 E411 A412 | P117-F408 HydrophobicContact CB-CD2 4.27Å; P117-F408 HydrophobicContact CB-CE2 3.73Å; R275-F408 HydrophobicContact CB-CE1 4.11Å; R275-F408 HydrophobicContact CB-CE2 4.04Å; R275-F408 HydrophobicContact CB-CZ 3.69Å; R275-F408 HydrophobicContact CG-CD2 4.39Å; R275-F408 HydrophobicContact CG-CE2 4.07Å; R275-F408 HydrophobicContact CG-CZ 4.19Å; R275-F408 WeakPolarHBondContact O-CE1 3.49Å; V278-F408 HydrophobicContact CB-CD1 4.28Å; V278-F408 HydrophobicContact CB-CE1 4.18Å; V278-F408 HydrophobicContact CG1-CD1 3.93Å; V278-F408 HydrophobicContact CG1-CE1 4.13Å; H405-F408 PolarHBondContact O-N 2.9Å; F408-E411 PolarHBondContact O-N 3.4Å; F408-A412 HydrophobicContact CE1-CB 4.38Å; F408-A412 HydrophobicContact CZ-CB 4.47Å; F408-A412 WeakPolarHBondContact O-CB 3.25Å; F408-A412 PolarHBondContact O-N 2.88Å |
| 409 | A | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V278 L282 V397 T401 H405 R406 E407 A413 | V278-A409 HydrophobicContact CG1-CB 4.36Å; L282-A409 HydrophobicContact CD1-CB 3.66Å; L282-A409 HydrophobicContact CD2-CB 4.13Å; L282-A409 HydrophobicContact CG-CB 4.47Å; V397-A409 HydrophobicContact CG1-CB 3.86Å; T401-A409 HydrophobicContact CG2-CB 3.74Å; H405-A409 WeakPolarHBondContact O-CB 3.5Å; H405-A409 PolarHBondContact O-N 3.48Å; R406-A409 PolarHBondContact O-N 3.29Å; E407-A409 VanDerWaalsContact C-N 3.29Å; E407-A409 PolarHBondContact O-N 2.8Å; A409-A413 VanDerWaalsContact O-CB 3.22Å; A409-A413 WeakPolarHBondContact O-CB 3.34Å; A409-A413 PolarHBondContact O-N 3.47Å |
| 410 | M | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 172.6 | -69 | -58.4 | 172.2 | 0 | 0 | 111.5 | I182 Y394 V397 A398 R406 E407 C414 | I182-M410 HydrophobicContact CD1-CE 3.92Å; Y394-M410 HydrophobicContact CD1-SD 3.88Å; Y394-M410 WeakPolarHBondContact O-CE 3.39Å; V397-M410 HydrophobicContact CB-CE 4.47Å; V397-M410 HydrophobicContact CG1-CE 4.16Å; V397-M410 HydrophobicContact CG1-SD 4.11Å; A398-M410 HydrophobicContact CB-CE 3.32Å; R406-M410 HydrophobicContact CG-CE 4.12Å; R406-M410 VanDerWaalsContact O-CG 3.29Å; R406-M410 WeakPolarHBondContact O-CG 3.45Å; R406-M410 PolarHBondContact O-N 3.3Å; E407-M410 PolarHBondContact O-N 3.12Å; M410-C414 WeakPolarHBondContact O-CB 3.18Å; M410-C414 PolarHBondContact O-N 3.1Å; M410-C414 VanDerWaalsContact O-N 3.12Å |
| 411 | E | 89.6 | Confident | 89.6 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 177.1 | -66.7 | -172.1 | 169 | 0 | 0 | 111.8 | P117 R128 V168 S172 E407 F408 C414 | P117-E411 HydrophobicContact CG-CB 4.4Å; R128-E411 IonicContact NH1-OE1 3.55Å; V168-E411 HydrophobicContact CG1-CB 4.31Å; V168-E411 HydrophobicContact CG1-CG 3.82Å; S172-E411 VanDerWaalsContact OG-CD 3.28Å; S172-E411 WeakPolarHBondContact OG-CG 3.49Å; S172-E411 PolarHBondContact OG-OE1 3.11Å; E407-E411 WeakPolarHBondContact O-CG 3.16Å; E407-E411 PolarHBondContact O-N 3.31Å; E407-E411 VanDerWaalsContact O-N 3.11Å; F408-E411 PolarHBondContact O-N 3.4Å; E411-C414 VanDerWaalsContact O-CB 3.22Å; E411-C414 WeakPolarHBondContact O-CB 3.4Å; E411-C414 PolarHBondContact O-N 3.01Å |
| 412 | A | 91.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -43.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F279 L282 F408 C414 I415 | F279-A412 HydrophobicContact CD2-CB 4.05Å; L282-A412 HydrophobicContact CD1-CB 4.09Å; F408-A412 HydrophobicContact CE1-CB 4.38Å; F408-A412 HydrophobicContact CZ-CB 4.47Å; F408-A412 WeakPolarHBondContact O-CB 3.25Å; F408-A412 PolarHBondContact O-N 2.88Å; A412-C414 PolarHBondContact O-N 2.9Å; A412-I415 PolarHBondContact O-N 3.49Å |
| 413 | A | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.4 | -29.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y394 A409 I415 S416 | Y394-A413 HydrophobicContact CE1-CB 4.15Å; A409-A413 VanDerWaalsContact O-CB 3.22Å; A409-A413 WeakPolarHBondContact O-CB 3.34Å; A409-A413 PolarHBondContact O-N 3.47Å; A413-I415 PolarHBondContact O-N 3.02Å; A413-S416 VanDerWaalsContact O-CB 3.28Å; A413-S416 WeakPolarHBondContact O-CB 3.16Å; A413-S416 PolarHBondContact O-N 3.49Å; A413-S416 VanDerWaalsContact O-N 3.15Å; A413-S416 PolarHBondContact O-OG 3.37Å |
| 414 | C | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.5 | 178.2 | -160.1 | 0 | 0 | 0 | 0 | 114.5 | K113 L171 Y394 M410 E411 A412 S416 | K113-C414 HydrophobicContact CD-CB 4.35Å; K113-C414 WeakPolarHBondContact CD-O 3.16Å; K113-C414 VanDerWaalsContact CD-SG 3.57Å; K113-C414 VanDerWaalsContact CE-SG 3.5Å; K113-C414 PolarHBondContact NZ-O 3.34Å; K113-C414 PolarHBondContact NZ-SG 3.07Å; L171-C414 HydrophobicContact CD1-CB 4.27Å; Y394-C414 VanDerWaalsContact OH-CA 3.32Å; Y394-C414 WeakPolarHBondContact OH-CA 3.46Å; M410-C414 WeakPolarHBondContact O-CB 3.18Å; M410-C414 PolarHBondContact O-N 3.1Å; M410-C414 VanDerWaalsContact O-N 3.12Å; E411-C414 VanDerWaalsContact O-CB 3.22Å; E411-C414 WeakPolarHBondContact O-CB 3.4Å; E411-C414 PolarHBondContact O-N 3.01Å; A412-C414 PolarHBondContact O-N 2.9Å; C414-S416 PolarHBondContact O-N 3.42Å |
| 415 | I | 93.1 | Very high | 90.8 | Very high | 21 Ų | 21 | 14.6 Ų | 14.6 | 11% | 0.108 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64 | -28.6 | 176.1 | -64.4 | 163.9 | 0 | 0 | 0 | 111.5 | K113 L114 P117 A412 A413 D417 L419 | K113-I415 HydrophobicContact CB-CG1 4.25Å; K113-I415 WeakPolarHBondContact O-CG1 3.3Å; L114-I415 HydrophobicContact CD2-CD1 4.25Å; L114-I415 HydrophobicContact CD2-CG1 4.43Å; L114-I415 HydrophobicContact CD2-CG2 3.69Å; P117-I415 HydrophobicContact CG-CD1 4.16Å; A412-I415 PolarHBondContact O-N 3.49Å; A413-I415 PolarHBondContact O-N 3.02Å; I415-D417 PolarHBondContact O-N 2.99Å; I415-L419 HydrophobicContact CG2-CB 4.46Å; I415-L419 VanDerWaalsContact O-CB 3.26Å; I415-L419 WeakPolarHBondContact O-CB 3.31Å; I415-L419 PolarHBondContact O-N 3.01Å |
| 416 | S | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | -167.1 | -45.2 | 0 | 0 | 0 | 0 | 113.8 | I286 V290 A413 C414 G420 | I286-S416 WeakPolarHBondContact CA-OG 3.41Å; I286-S416 WeakPolarHBondContact CG1-OG 3.31Å; I286-S416 WeakPolarHBondContact CG2-OG 3.36Å; V290-S416 VanDerWaalsContact CG2-O 3.29Å; V290-S416 WeakPolarHBondContact CG2-O 3.19Å; A413-S416 VanDerWaalsContact O-CB 3.28Å; A413-S416 WeakPolarHBondContact O-CB 3.16Å; A413-S416 PolarHBondContact O-N 3.49Å; A413-S416 VanDerWaalsContact O-N 3.15Å; A413-S416 PolarHBondContact O-OG 3.37Å; C414-S416 PolarHBondContact O-N 3.42Å; S416-G420 PolarHBondContact O-N 3.35Å; S416-G420 VanDerWaalsContact O-N 3.11Å |
| 417 | D | 92 | Very high | 90.8 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -47.2 | -175.4 | 62.2 | -2.9 | 0 | 0 | 0 | 111.1 | K113 Y293 I415 L419 G420 I421 | K113-D417 VanDerWaalsContact NZ-CG 3.32Å; K113-D417 IonicContact NZ-OD1 2.74Å; K113-D417 PolarHBondContact NZ-OD1 3.15Å; K113-D417 IonicContact NZ-OD2 3.09Å; K113-D417 PolarHBondContact NZ-OD2 3.35Å; K113-D417 VanDerWaalsContact NZ-OD2 3.09Å; Y293-D417 HydrophobicContact CD1-CB 3.9Å; Y293-D417 HydrophobicContact CD2-CB 3.7Å; Y293-D417 HydrophobicContact CE1-CB 3.87Å; Y293-D417 HydrophobicContact CE2-CB 3.7Å; Y293-D417 HydrophobicContact CG-CB 3.8Å; I415-D417 PolarHBondContact O-N 2.99Å; D417-L419 VanDerWaalsContact C-N 3.35Å; D417-L419 PolarHBondContact O-N 3.37Å; D417-G420 PolarHBondContact O-N 3.46Å; D417-I421 WeakPolarHBondContact O-CG1 3.18Å; D417-I421 PolarHBondContact O-N 3.43Å |
| 418 | T | 92.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.3 | -34.2 | -172.8 | -52.7 | 0 | 0 | 0 | 0 | 110.2 | I106 T109 L110 K113 S422 | I106-T418 HydrophobicContact CD1-CG2 3.84Å; I106-T418 HydrophobicContact CG1-CG2 3.67Å; T109-T418 HydrophobicContact CG2-CG2 3.79Å; L110-T418 HydrophobicContact CB-CG2 3.67Å; L110-T418 HydrophobicContact CD1-CG2 4.03Å; L110-T418 HydrophobicContact CG-CG2 4.45Å; K113-T418 VanDerWaalsContact CD-OG1 3.29Å; K113-T418 WeakPolarHBondContact CD-OG1 3.43Å; K113-T418 WeakPolarHBondContact CE-OG1 3.44Å; K113-T418 PolarHBondContact NZ-OG1 3.15Å; K113-T418 VanDerWaalsContact NZ-OG1 3.11Å; T418-S422 VanDerWaalsContact O-CB 3.26Å; T418-S422 WeakPolarHBondContact O-CB 3.37Å; T418-S422 PolarHBondContact O-N 3.03Å; T418-S422 PolarHBondContact O-OG 3.49Å |
| 419 | L | 94.6 | Very high | 89.7 | Confident | 61 Ų | 61 | 21.5 Ų | 21.5 | 32% | 0.319 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -63.1 | -47.6 | 171.3 | -178.9 | 61.8 | 0 | 0 | 0 | 110.9 | L110 V290 I415 D417 S422 M423 | L110-L419 HydrophobicContact CD1-CB 4.28Å; V290-L419 HydrophobicContact CG1-CG 4.5Å; V290-L419 HydrophobicContact CG2-CB 4.4Å; V290-L419 HydrophobicContact CG2-CD2 4.06Å; V290-L419 HydrophobicContact CG2-CG 4.47Å; I415-L419 HydrophobicContact CG2-CB 4.46Å; I415-L419 VanDerWaalsContact O-CB 3.26Å; I415-L419 WeakPolarHBondContact O-CB 3.31Å; I415-L419 PolarHBondContact O-N 3.01Å; D417-L419 VanDerWaalsContact C-N 3.35Å; D417-L419 PolarHBondContact O-N 3.37Å; L419-S422 PolarHBondContact O-N 2.92Å; L419-M423 HydrophobicContact CD1-CG 4.39Å; L419-M423 HydrophobicContact CD1-SD 4.33Å; L419-M423 HydrophobicContact CG-SD 4.19Å; L419-M423 WeakPolarHBondContact O-CB 3.4Å; L419-M423 VanDerWaalsContact O-CG 3.3Å; L419-M423 WeakPolarHBondContact O-CG 3.44Å; L419-M423 PolarHBondContact O-N 3.49Å |
| 420 | G | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F294 S416 D417 S422 M423 S424 | F294-G420 WeakPolarHBondContact CA-O 3.09Å; S416-G420 PolarHBondContact O-N 3.35Å; S416-G420 VanDerWaalsContact O-N 3.11Å; D417-G420 PolarHBondContact O-N 3.46Å; G420-S422 PolarHBondContact O-N 3.19Å; G420-M423 PolarHBondContact O-N 3.22Å; G420-S424 WeakPolarHBondContact O-CB 3.48Å; G420-S424 PolarHBondContact O-N 2.87Å |
| 421 | I | 91.5 | Very high | 88.3 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.036 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 177.3 | -64 | 164.9 | 0 | 0 | 0 | 111 | L102 I106 Y293 Y297 D417 S424 G425 | L102-I421 HydrophobicContact CD2-CG2 3.38Å; I106-I421 HydrophobicContact CB-CG2 4.18Å; I106-I421 HydrophobicContact CD1-CB 4.37Å; I106-I421 HydrophobicContact CD1-CD1 4.08Å; I106-I421 HydrophobicContact CD1-CG2 4Å; I106-I421 HydrophobicContact CG1-CB 4.03Å; I106-I421 HydrophobicContact CG1-CG2 3.63Å; I106-I421 HydrophobicContact CG2-CG2 4.31Å; Y293-I421 HydrophobicContact CD1-CD1 3.85Å; Y293-I421 HydrophobicContact CD1-CG1 3.82Å; Y293-I421 HydrophobicContact CE1-CD1 4.26Å; Y297-I421 HydrophobicContact CD1-CB 4.25Å; Y297-I421 HydrophobicContact CD1-CD1 4.49Å; Y297-I421 HydrophobicContact CD1-CG1 3.88Å; Y297-I421 HydrophobicContact CD1-CG2 3.54Å; Y297-I421 HydrophobicContact CD2-CD1 4.27Å; Y297-I421 HydrophobicContact CD2-CG1 3.58Å; Y297-I421 HydrophobicContact CE1-CD1 4.02Å; Y297-I421 HydrophobicContact CE1-CG1 3.92Å; Y297-I421 HydrophobicContact CE1-CG2 3.79Å; Y297-I421 HydrophobicContact CE2-CD1 3.76Å; Y297-I421 HydrophobicContact CE2-CG1 3.61Å; Y297-I421 HydrophobicContact CG-CB 4.28Å; Y297-I421 HydrophobicContact CG-CG1 3.71Å; Y297-I421 HydrophobicContact CG-CG2 4.03Å; D417-I421 WeakPolarHBondContact O-CG1 3.18Å; D417-I421 PolarHBondContact O-N 3.43Å; I421-S424 WeakPolarHBondContact O-CB 3.43Å; I421-S424 PolarHBondContact O-N 3.09Å; I421-G425 PolarHBondContact O-N 2.87Å |
| 422 | S | 91.3 | Very high | 87.4 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | -179.6 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | T418 L419 G420 S424 G425 F426 | T418-S422 VanDerWaalsContact O-CB 3.26Å; T418-S422 WeakPolarHBondContact O-CB 3.37Å; T418-S422 PolarHBondContact O-N 3.03Å; T418-S422 PolarHBondContact O-OG 3.49Å; L419-S422 PolarHBondContact O-N 2.92Å; G420-S422 PolarHBondContact O-N 3.19Å; S422-S424 VanDerWaalsContact C-N 3.27Å; S422-S424 PolarHBondContact O-N 3.36Å; S422-G425 PolarHBondContact O-N 3.19Å; S422-F426 WeakPolarHBondContact O-CD2 3.49Å; S422-F426 PolarHBondContact O-N 3.47Å |
| 423 | M | 91.6 | Very high | 86.5 | Confident | 86 Ų | 86 | 31.4 Ų | 31.4 | 42% | 0.424 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.3 | -39.8 | 176.1 | -73.9 | 177.9 | 64.1 | 0 | 0 | 111.9 | V290 F294 L419 G420 F426 L427 | V290-M423 HydrophobicContact CG1-SD 4.34Å; F294-M423 HydrophobicContact CD2-CB 3.93Å; F294-M423 HydrophobicContact CE2-CB 4.41Å; L419-M423 HydrophobicContact CD1-CG 4.39Å; L419-M423 HydrophobicContact CD1-SD 4.33Å; L419-M423 HydrophobicContact CG-SD 4.19Å; L419-M423 WeakPolarHBondContact O-CB 3.4Å; L419-M423 VanDerWaalsContact O-CG 3.3Å; L419-M423 WeakPolarHBondContact O-CG 3.44Å; L419-M423 PolarHBondContact O-N 3.49Å; G420-M423 PolarHBondContact O-N 3.22Å; M423-F426 PolarHBondContact O-N 3.39Å; M423-L427 PolarHBondContact O-N 3.4Å; M423-L427 VanDerWaalsContact O-N 3.1Å |
| 424 | S | 89.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -51.4 | 175.4 | 171 | 0 | 0 | 0 | 0 | 111.6 | F294 Y297 F298 G420 I421 S422 F426 L427 A428 | F294-S424 WeakPolarHBondContact O-CB 3.14Å; Y297-S424 PolarHBondContact O-OG 3.47Å; F298-S424 WeakPolarHBondContact CA-OG 3.22Å; F298-S424 WeakPolarHBondContact CB-OG 3.47Å; F298-S424 PolarHBondContact N-OG 2.92Å; G420-S424 WeakPolarHBondContact O-CB 3.48Å; G420-S424 PolarHBondContact O-N 2.87Å; I421-S424 WeakPolarHBondContact O-CB 3.43Å; I421-S424 PolarHBondContact O-N 3.09Å; S422-S424 VanDerWaalsContact C-N 3.27Å; S422-S424 PolarHBondContact O-N 3.36Å; S424-F426 VanDerWaalsContact C-N 3.3Å; S424-F426 PolarHBondContact O-N 3.23Å; S424-L427 PolarHBondContact O-N 2.95Å; S424-L427 VanDerWaalsContact O-N 3.12Å; S424-A428 VanDerWaalsContact O-CB 3.31Å; S424-A428 WeakPolarHBondContact O-CB 3.48Å; S424-A428 PolarHBondContact O-N 3.33Å |
| 425 | G | 84.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.5 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I421 S422 L427 L429 | I421-G425 PolarHBondContact O-N 2.87Å; S422-G425 PolarHBondContact O-N 3.19Å; G425-L427 PolarHBondContact O-N 2.03Å; G425-L429 PolarHBondContact O-N 3.1Å |
| 426 | F | 85.8 | Confident | 83.4 | Confident | 117 Ų | 117 | 37.3 Ų | 37.3 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 177.2 | -84.7 | -67.1 | 0 | 0 | 0 | 113.3 | L103 L107 S422 M423 S424 P430 | L103-F426 HydrophobicContact CD1-CD1 4.19Å; L103-F426 HydrophobicContact CD1-CE1 4.44Å; L103-F426 HydrophobicContact CD1-CG 4.37Å; L103-F426 HydrophobicContact CD2-CD1 4.38Å; L103-F426 HydrophobicContact CD2-CD2 3.67Å; L103-F426 HydrophobicContact CD2-CE1 4.43Å; L103-F426 HydrophobicContact CD2-CE2 3.72Å; L103-F426 HydrophobicContact CD2-CG 4Å; L103-F426 HydrophobicContact CD2-CZ 4.1Å; L107-F426 HydrophobicContact CD1-CZ 4.34Å; L107-F426 HydrophobicContact CD2-CE2 3.98Å; L107-F426 HydrophobicContact CD2-CZ 4.31Å; S422-F426 WeakPolarHBondContact O-CD2 3.49Å; S422-F426 PolarHBondContact O-N 3.47Å; M423-F426 PolarHBondContact O-N 3.39Å; S424-F426 VanDerWaalsContact C-N 3.3Å; S424-F426 PolarHBondContact O-N 3.23Å; F426-P430 WeakPolarHBondContact O-CD 3Å |
| 427 | L | 85.9 | Confident | 82.1 | Confident | 89 Ų | 89 | 47.1 Ų | 47.1 | 47% | 0.466 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -84.9 | -23.8 | -179.3 | -71.6 | 178.2 | 0 | 0 | 0 | 113.3 | F294 F298 M423 S424 G425 L429 P430 L431 | F294-L427 HydrophobicContact CE2-CD1 3.75Å; F294-L427 HydrophobicContact CZ-CD1 3.89Å; F298-L427 HydrophobicContact CD2-CB 4.43Å; F298-L427 HydrophobicContact CE2-CB 3.87Å; M423-L427 PolarHBondContact O-N 3.4Å; M423-L427 VanDerWaalsContact O-N 3.1Å; S424-L427 PolarHBondContact O-N 2.95Å; S424-L427 VanDerWaalsContact O-N 3.12Å; G425-L427 PolarHBondContact O-N 2.03Å; L427-L429 VanDerWaalsContact C-N 3.34Å; L427-P430 VanDerWaalsContact O-CD 3.31Å; L427-P430 WeakPolarHBondContact O-CD 3.48Å; L427-P430 WeakPolarHBondContact O-CG 3.34Å; L427-L431 PolarHBondContact O-N 3.21Å |
| 428 | A | 79.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.8 | -33.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A99 F298 S424 L431 H432 | A99-A428 HydrophobicContact CB-CB 3.93Å; F298-A428 HydrophobicContact CD2-CB 4.46Å; F298-A428 HydrophobicContact CE2-CB 4.44Å; S424-A428 VanDerWaalsContact O-CB 3.31Å; S424-A428 WeakPolarHBondContact O-CB 3.48Å; S424-A428 PolarHBondContact O-N 3.33Å; A428-L431 PolarHBondContact O-N 3.38Å; A428-H432 WeakPolarHBondContact O-CB 3.35Å; A428-H432 PolarHBondContact O-N 3.12Å |
| 429 | L | 76 | Confident | 78.5 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.5 | -58.1 | 177 | -70.1 | 175.4 | 0 | 0 | 0 | 113.8 | A99 A100 L103 G425 L427 L431 H432 D433 | A99-L429 HydrophobicContact CB-CD2 3.98Å; A99-L429 HydrophobicContact CB-CG 4.25Å; A100-L429 HydrophobicContact CB-CD2 4.12Å; L103-L429 HydrophobicContact CD1-CD1 3.6Å; L103-L429 HydrophobicContact CD1-CG 4.33Å; G425-L429 PolarHBondContact O-N 3.1Å; L427-L429 VanDerWaalsContact C-N 3.34Å; L429-L431 VanDerWaalsContact C-N 3.28Å; L429-L431 PolarHBondContact O-N 3.37Å; L429-H432 PolarHBondContact O-N 3.27Å; L429-D433 PolarHBondContact O-N 3.13Å; L429-D433 VanDerWaalsContact O-N 3.1Å |
| 430 | P | 79 | Confident | 77.7 | Confident | 71 Ų | 71 | 57.1 Ų | 57.1 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.1 | -29.4 | 178.8 | 27 | -35.4 | 0 | 0 | 0 | 112.5 | F426 L427 F434 | F426-P430 WeakPolarHBondContact O-CD 3Å; L427-P430 VanDerWaalsContact O-CD 3.31Å; L427-P430 WeakPolarHBondContact O-CD 3.48Å; L427-P430 WeakPolarHBondContact O-CG 3.34Å; P430-F434 WeakPolarHBondContact O-CB 3.07Å; P430-F434 PolarHBondContact O-N 3.31Å |
| 431 | L | 74.2 | Confident | 76.8 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65 | -46.4 | 174.4 | 179.2 | 66.3 | 0 | 0 | 0 | 111 | F298 L303 L361 L427 A428 L429 D433 F434 L435 | F298-L431 HydrophobicContact CE1-CD2 3.48Å; F298-L431 VanDerWaalsContact CE1-CD2 3.48Å; F298-L431 HydrophobicContact CE2-CD2 4.39Å; F298-L431 HydrophobicContact CZ-CB 4.32Å; F298-L431 HydrophobicContact CZ-CD2 3.3Å; F298-L431 HydrophobicContact CZ-CG 4.36Å; L303-L431 HydrophobicContact CD2-CD2 4.11Å; L361-L431 HydrophobicContact CD1-CD2 4.47Å; L427-L431 PolarHBondContact O-N 3.21Å; A428-L431 PolarHBondContact O-N 3.38Å; L429-L431 VanDerWaalsContact C-N 3.28Å; L429-L431 PolarHBondContact O-N 3.37Å; L431-D433 VanDerWaalsContact C-N 3.34Å; L431-D433 PolarHBondContact O-N 3.47Å; L431-F434 WeakPolarHBondContact O-CB 3.39Å; L431-F434 PolarHBondContact O-N 3.48Å; L431-L435 HydrophobicContact CD1-CD1 3.82Å; L431-L435 HydrophobicContact CD1-CG 4.02Å; L431-L435 HydrophobicContact CD2-CD1 4.14Å; L431-L435 HydrophobicContact CG-CD1 3.7Å; L431-L435 HydrophobicContact CG-CG 4.26Å; L431-L435 WeakPolarHBondContact O-CB 3.24Å; L431-L435 WeakPolarHBondContact O-CG 3.32Å; L431-L435 PolarHBondContact O-N 3.22Å |
| 432 | H | 70.1 | Confident | 76 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 176.3 | 178.6 | -87.2 | 0 | 0 | 0 | 110.5 | A428 L429 F434 L435 C436 | A428-H432 WeakPolarHBondContact O-CB 3.35Å; A428-H432 PolarHBondContact O-N 3.12Å; L429-H432 PolarHBondContact O-N 3.27Å; H432-F434 VanDerWaalsContact C-N 3.29Å; H432-F434 PolarHBondContact O-N 3.16Å; H432-L435 PolarHBondContact O-N 3.36Å; H432-C436 PolarHBondContact CE1-SG 2.76Å; H432-C436 WeakPolarHBondContact O-CB 3.07Å; H432-C436 PolarHBondContact O-N 2.86Å; H432-C436 PolarHBondContact O-SG 2.96Å |
| 433 | D | 72.9 | Confident | 75.1 | Confident | 89 Ų | 89 | 66.6 Ų | 66.6 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 176.5 | -78.8 | -3.4 | 0 | 0 | 0 | 113 | L429 L431 R437 | L429-D433 PolarHBondContact O-N 3.13Å; L429-D433 VanDerWaalsContact O-N 3.1Å; L431-D433 VanDerWaalsContact C-N 3.34Å; L431-D433 PolarHBondContact O-N 3.47Å; D433-R437 VanDerWaalsContact O-CG 3.28Å; D433-R437 WeakPolarHBondContact O-CG 3.49Å; D433-R437 PolarHBondContact O-N 3.05Å |
| 434 | F | 76.3 | Confident | 74.1 | Confident | 112 Ų | 112 | 65.4 Ų | 65.4 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.5 | -47.4 | 175.8 | 176.1 | -98.2 | 0 | 0 | 0 | 111.8 | P430 L431 H432 R437 F438 | P430-F434 WeakPolarHBondContact O-CB 3.07Å; P430-F434 PolarHBondContact O-N 3.31Å; L431-F434 WeakPolarHBondContact O-CB 3.39Å; L431-F434 PolarHBondContact O-N 3.48Å; H432-F434 VanDerWaalsContact C-N 3.29Å; H432-F434 PolarHBondContact O-N 3.16Å; F434-R437 PolarHBondContact O-N 3.12Å; F434-F438 AromaticContact CE1-CD2 3.94Å; F434-F438 HydrophobicContact CE1-CD2 3.94Å; F434-F438 HydrophobicContact CE1-CE2 4.35Å; F434-F438 AromaticContact CZ-CD2 3.9Å; F434-F438 HydrophobicContact CZ-CD2 3.9Å; F434-F438 HydrophobicContact CZ-CE2 4.13Å; F434-F438 PolarHBondContact O-N 2.96Å; F434-F438 VanDerWaalsContact O-N 3.16Å |
| 435 | L | 69.4 | Low | 73 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.8 | -35.2 | -178.4 | -68.8 | 173.3 | 0 | 0 | 0 | 112.3 | L306 F365 L431 H432 R437 F438 | L306-L435 HydrophobicContact CD1-CB 4.45Å; L306-L435 HydrophobicContact CD1-CD1 3.3Å; L306-L435 HydrophobicContact CD1-CG 4.45Å; F365-L435 HydrophobicContact CE1-CD2 3.64Å; F365-L435 HydrophobicContact CZ-CD2 3.78Å; L431-L435 HydrophobicContact CD1-CD1 3.82Å; L431-L435 HydrophobicContact CD1-CG 4.02Å; L431-L435 HydrophobicContact CD2-CD1 4.14Å; L431-L435 HydrophobicContact CG-CD1 3.7Å; L431-L435 HydrophobicContact CG-CG 4.26Å; L431-L435 WeakPolarHBondContact O-CB 3.24Å; L431-L435 WeakPolarHBondContact O-CG 3.32Å; L431-L435 PolarHBondContact O-N 3.22Å; H432-L435 PolarHBondContact O-N 3.36Å; L435-R437 PolarHBondContact O-N 3.32Å; L435-F438 WeakPolarHBondContact O-CB 3.28Å; L435-F438 PolarHBondContact O-N 3.03Å; L435-F438 VanDerWaalsContact O-N 3.09Å |
| 436 | C | 66.6 | Low | 72.2 | Confident | 31 Ų | 31 | 74.7 Ų | 74.7 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.5 | -22.9 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | S89 C93 H432 | S89-C436 WeakPolarHBondContact CB-O 3.34Å; C93-C436 HydrophobicContact CB-CB 4.02Å; C93-C436 WeakPolarHBondContact CB-SG 3.34Å; C93-C436 VanDerWaalsContact SG-CA 3.58Å; C93-C436 WeakPolarHBondContact SG-CB 3.34Å; C93-C436 CovalentContact SG-SG 2.03Å; C93-C436 PolarHBondContact SG-SG 3.48Å; H432-C436 PolarHBondContact CE1-SG 2.76Å; H432-C436 WeakPolarHBondContact O-CB 3.07Å; H432-C436 PolarHBondContact O-N 2.86Å; H432-C436 PolarHBondContact O-SG 2.96Å |
| 437 | R | 65.6 | Low | 71.2 | Confident | 206 Ų | 206 | 71.5 Ų | 71.5 | 78% | 0.777 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -7.5 | 172.8 | -67.5 | 175.9 | -167.9 | -179.5 | 7.4 | 112.8 | D433 F434 L435 | D433-R437 VanDerWaalsContact O-CG 3.28Å; D433-R437 WeakPolarHBondContact O-CG 3.49Å; D433-R437 PolarHBondContact O-N 3.05Å; F434-R437 PolarHBondContact O-N 3.12Å; L435-R437 PolarHBondContact O-N 3.32Å |
| 438 | F | 61 | Low | 69.9 | Low | 93 Ų | 93 | 70 Ų | 70 | 41% | 0.408 | 35% | 0.352 | S | S | . | . | trans | -78.5 | 127.2 | -177.9 | -154.1 | -89.9 | 0 | 0 | 0 | 110 | F434 L435 | F434-F438 AromaticContact CE1-CD2 3.94Å; F434-F438 HydrophobicContact CE1-CD2 3.94Å; F434-F438 HydrophobicContact CE1-CE2 4.35Å; F434-F438 AromaticContact CZ-CD2 3.9Å; F434-F438 HydrophobicContact CZ-CD2 3.9Å; F434-F438 HydrophobicContact CZ-CE2 4.13Å; F434-F438 PolarHBondContact O-N 2.96Å; F434-F438 VanDerWaalsContact O-N 3.16Å; L435-F438 WeakPolarHBondContact O-CB 3.28Å; L435-F438 PolarHBondContact O-N 3.03Å; L435-F438 VanDerWaalsContact O-N 3.09Å | ||
| 439 | P | 48.3 | Very low | 69 | Low | 129 Ų | 129 | 76.3 Ų | 76.3 | 84% | 0.838 | 38% | 0.383 | S | S | * | . | trans | -73.3 | 0 | -175.6 | 28.7 | -33.5 | 0 | 0 | 0 | 114.6 | S88 | S88-P439 CarbonylContact O-C 3.47Å; S88-P439 VanDerWaalsContact O-CA 3.24Å; S88-P439 WeakPolarHBondContact O-CA 3.28Å |
Retrieved 439 of 439 residues in 185.9 ms
(Link to these results)