| 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 | 40.1 | Very low | 39.7 | Very low | 244 Ų | 244 | 131.6 Ų | 131.6 | 100% | 1.202 | 83% | 0.827 | S | S | * | * | 0 | 106.8 | 0 | -165.8 | 164.8 | -175.8 | 0 | 0 | 105.6 | |||||
| 2 | E | 42.6 | Very low | 40.3 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -74.2 | 166.7 | 177.1 | -59.7 | -171.4 | 120.2 | 0 | 0 | 110.1 | ||||
| 3 | P | 44.4 | Very low | 41 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | -143.2 | 142.9 | 103.5 | 30.2 | -12.7 | 0 | 0 | 0 | 116.5 | |||||
| 4 | V | 36.5 | Very low | 41.4 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 76% | 0.764 | 83% | 0.831 | S | S | * | * | trans | 72.3 | 114.6 | 139.7 | 177.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 5 | T | 41 | Very low | 41.9 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | trans | -73.4 | 153.8 | 161.9 | 44.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 6 | V | 38.8 | Very low | 42.8 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -122.9 | 126.8 | 159.9 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | S | 37.2 | Very low | 43.2 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -10.6 | 134.7 | 174.2 | -50.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 8 | A | 45.2 | Very low | 44.2 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -67.8 | 149 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 9 | D | 35.7 | Very low | 45.1 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -112.4 | 117.7 | 158.8 | -179.7 | 33.8 | 0 | 0 | 0 | 108.8 | ||||
| 10 | G | 42.3 | Very low | 45.9 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 81% | 0.814 | 78% | 0.777 | S | S | * | * | trans | -102.6 | 82.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 11 | G | 32.8 | Very low | 47.2 | Very low | 55 Ų | 55 | 121.1 Ų | 121.1 | 57% | 0.567 | 76% | 0.762 | S | S | * | * | trans | -104.7 | 103.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R13 | G11-R13 PolarHBondContact O-N 3.13Š| ||
| 12 | D | 46.4 | Very low | 48.8 | Very low | 170 Ų | 170 | 112.7 Ų | 112.7 | 91% | 0.909 | 73% | 0.731 | S | S | * | * | trans | -61.9 | 97.3 | 176.3 | -104.3 | -47.6 | 0 | 0 | 0 | 111.7 | P14 | D12-P14 WeakPolarHBondContact O-CD 3.41Š| ||
| 13 | R | 50.3 | Low | 50.3 | Low | 224 Ų | 224 | 107.8 Ų | 107.8 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | trans | -88.6 | 111.6 | 171.2 | -59.7 | -177.9 | 81.5 | 171.3 | 8.6 | 107.4 | G11 A15 | G11-R13 PolarHBondContact O-N 3.13Å; R13-A15 PolarHBondContact O-N 3.44Å; R13-A15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | P | 45.7 | Very low | 51.9 | Low | 122 Ų | 122 | 106.9 Ų | 106.9 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | trans | -57.9 | 124.8 | -179.9 | 23.4 | -33.4 | 0 | 0 | 0 | 109.5 | D12 A16 | D12-P14 WeakPolarHBondContact O-CD 3.41Å; P14-A16 PolarHBondContact O-N 3.41Å | ||
| 15 | A | 49.7 | Very low | 54 | Low | 102 Ų | 102 | 107.8 Ų | 107.8 | 84% | 0.843 | 69% | 0.693 | S | S | * | * | trans | -57.8 | 104.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R13 | R13-A15 PolarHBondContact O-N 3.44Å; R13-A15 VanDerWaalsContact O-N 3.14Å | ||
| 16 | A | 55.7 | Low | 56.1 | Low | 65 Ų | 65 | 110.8 Ų | 110.8 | 54% | 0.537 | 69% | 0.689 | S | S | . | * | trans | -69.5 | 133.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | P14 S18 | P14-A16 PolarHBondContact O-N 3.41Å; A16-S18 PolarHBondContact O-N 3.22Å | ||
| 17 | P | 49.9 | Very low | 58.3 | Low | 93 Ų | 93 | 107.3 Ų | 107.3 | 60% | 0.604 | 67% | 0.674 | S | S | * | * | trans | -62.8 | 110.1 | 177.4 | 23.9 | -32.8 | 0 | 0 | 0 | 110.7 | G19 L20 | P17-G19 PolarHBondContact O-N 2.92Å; P17-L20 HydrophobicContact CG-CD1 4.03Å | ||
| 18 | S | 61.1 | Low | 60.5 | Low | 125 Ų | 125 | 104.9 Ų | 104.9 | 87% | 0.874 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 116.2 | 179.7 | -62 | 0 | 0 | 0 | 0 | 111.1 | A16 | A16-S18 PolarHBondContact O-N 3.22Š|
| 19 | G | 62.2 | Low | 62.4 | Low | 74 Ų | 74 | 104.9 Ų | 104.9 | 76% | 0.763 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139.3 | -20.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P17 S21 | P17-G19 PolarHBondContact O-N 2.92Å; G19-S21 PolarHBondContact O-N 3.11Å |
| 20 | L | 59.7 | Low | 64.9 | Low | 53 Ų | 53 | 106 Ų | 106 | 28% | 0.277 | 63% | 0.628 | S | S | . | * | trans | -75.2 | 118.9 | -175.4 | -55.2 | 178.9 | 0 | 0 | 0 | 112.5 | P17 Q24 R25 | P17-L20 HydrophobicContact CG-CD1 4.03Å; L20-Q24 HydrophobicContact CD2-CG 4.32Å; L20-R25 HydrophobicContact CB-CG 4.32Å; L20-R25 PolarHBondContact O-NE 2.9Å | ||
| 21 | S | 74.4 | Confident | 67.1 | Low | 67 Ų | 67 | 110.5 Ų | 110.5 | 47% | 0.469 | 62% | 0.62 | S | S | . | * | trans | -59.8 | 156.4 | 179.6 | 179.9 | 0 | 0 | 0 | 0 | 113 | G19 S23 Q24 R25 | G19-S21 PolarHBondContact O-N 3.11Å; S21-S23 PolarHBondContact O-N 2.88Å; S21-S23 PolarHBondContact OG-OG 3.46Å; S21-Q24 CarbonylContact O-C 3.6Å; S21-Q24 WeakPolarHBondContact O-CA 3.23Å; S21-Q24 WeakPolarHBondContact O-CB 3.2Å; S21-Q24 PolarHBondContact O-N 3.08Å; S21-R25 PolarHBondContact O-N 3.48Å | ||
| 22 | A | 73.8 | Confident | 69.8 | Low | 67 Ų | 67 | 115.4 Ų | 115.4 | 55% | 0.554 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -58.8 | -32.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R26 | A22-R26 VanDerWaalsContact O-CG 3.31Å; A22-R26 WeakPolarHBondContact O-CG 3.42Å; A22-R26 PolarHBondContact O-N 2.95Å |
| 23 | S | 74 | Confident | 71.9 | Confident | 80 Ų | 80 | 114.2 Ų | 114.2 | 56% | 0.559 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.8 | -42.2 | 171.1 | 54 | 0 | 0 | 0 | 0 | 111.9 | S21 R26 A27 | S21-S23 PolarHBondContact O-N 2.88Å; S21-S23 PolarHBondContact OG-OG 3.46Å; S23-R26 PolarHBondContact O-N 2.72Å; S23-A27 WeakPolarHBondContact O-CB 3.24Å; S23-A27 PolarHBondContact O-N 3.23Å |
| 24 | Q | 78.7 | Confident | 73.7 | Confident | 98 Ų | 98 | 108.8 Ų | 108.8 | 46% | 0.458 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.6 | -41.3 | -179.6 | -161.5 | 171.3 | 12.5 | 0 | 0 | 111.8 | L20 S21 R26 A27 E28 | L20-Q24 HydrophobicContact CD2-CG 4.32Å; S21-Q24 CarbonylContact O-C 3.6Å; S21-Q24 WeakPolarHBondContact O-CA 3.23Å; S21-Q24 WeakPolarHBondContact O-CB 3.2Å; S21-Q24 PolarHBondContact O-N 3.08Å; Q24-R26 VanDerWaalsContact C-N 3.33Å; Q24-R26 PolarHBondContact O-N 3.38Å; Q24-A27 PolarHBondContact O-N 2.95Å; Q24-E28 WeakPolarHBondContact O-CB 3.49Å; Q24-E28 PolarHBondContact O-N 2.81Å |
| 25 | R | 80.8 | Confident | 75.7 | Confident | 144 Ų | 144 | 107.6 Ų | 107.6 | 54% | 0.543 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.6 | -40.9 | 171.6 | -67 | -177.6 | -176.2 | -159 | -5 | 112.1 | L20 S21 L29 | L20-R25 HydrophobicContact CB-CG 4.32Å; L20-R25 PolarHBondContact O-NE 2.9Å; S21-R25 PolarHBondContact O-N 3.48Å; R25-L29 WeakPolarHBondContact O-CB 3.47Å; R25-L29 PolarHBondContact O-N 3.43Å |
| 26 | R | 83.8 | Confident | 77.3 | Confident | 198 Ų | 198 | 107.9 Ų | 107.9 | 75% | 0.747 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.1 | -42 | 175.2 | -70.4 | 171.3 | -177.6 | -174.3 | 1.3 | 111.9 | A22 S23 Q24 L29 R30 | A22-R26 VanDerWaalsContact O-CG 3.31Å; A22-R26 WeakPolarHBondContact O-CG 3.42Å; A22-R26 PolarHBondContact O-N 2.95Å; S23-R26 PolarHBondContact O-N 2.72Å; Q24-R26 VanDerWaalsContact C-N 3.33Å; Q24-R26 PolarHBondContact O-N 3.38Å; R26-L29 PolarHBondContact O-N 3.48Å; R26-R30 PolarHBondContact O-N 3.38Å |
| 27 | A | 85.3 | Confident | 78.8 | Confident | 60 Ų | 60 | 108.7 Ų | 108.7 | 50% | 0.496 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.1 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S23 Q24 R30 R31 | S23-A27 WeakPolarHBondContact O-CB 3.24Å; S23-A27 PolarHBondContact O-N 3.23Å; Q24-A27 PolarHBondContact O-N 2.95Å; A27-R30 PolarHBondContact O-N 3.43Å; A27-R31 PolarHBondContact O-N 3.2Å |
| 28 | E | 83.7 | Confident | 80.5 | Confident | 62 Ų | 62 | 107.1 Ų | 107.1 | 29% | 0.29 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.3 | -41.8 | 177 | -159.3 | -162.8 | 150 | 0 | 0 | 111.9 | Q24 R30 R31 R32 | Q24-E28 WeakPolarHBondContact O-CB 3.49Å; Q24-E28 PolarHBondContact O-N 2.81Å; E28-R30 VanDerWaalsContact C-N 3.27Å; E28-R30 PolarHBondContact O-N 3.49Å; E28-R31 WeakPolarHBondContact O-CB 3.38Å; E28-R31 PolarHBondContact O-N 2.85Å; E28-R31 VanDerWaalsContact O-N 3.12Å; E28-R32 WeakPolarHBondContact O-CG 3.37Å; E28-R32 PolarHBondContact O-N 3.34Å; E28-R32 IonicContact OE1-CZ 3.19Å; E28-R32 IonicContact OE1-NE 2.88Å; E28-R32 PolarHBondContact OE1-NE 2.9Å; E28-R32 IonicContact OE1-NH2 2.67Å; E28-R32 PolarHBondContact OE1-NH2 2.92Å |
| 29 | L | 84.9 | Confident | 81.6 | Confident | 103 Ų | 103 | 105.9 Ų | 105.9 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | 173 | -165.6 | 103.7 | 0 | 0 | 0 | 111.4 | R25 R26 K33 | R25-L29 WeakPolarHBondContact O-CB 3.47Å; R25-L29 PolarHBondContact O-N 3.43Å; R26-L29 PolarHBondContact O-N 3.48Å; L29-K33 WeakPolarHBondContact O-CB 3.19Å; L29-K33 WeakPolarHBondContact O-CG 3.32Å; L29-K33 PolarHBondContact O-N 2.94Å |
| 30 | R | 88.6 | Confident | 82.6 | Confident | 185 Ų | 185 | 107.9 Ų | 107.9 | 70% | 0.698 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 173.1 | -171 | 177.7 | -178.5 | 179.9 | 0.5 | 111.7 | R26 A27 E28 K33 L34 | R26-R30 PolarHBondContact O-N 3.38Å; A27-R30 PolarHBondContact O-N 3.43Å; E28-R30 VanDerWaalsContact C-N 3.27Å; E28-R30 PolarHBondContact O-N 3.49Å; R30-K33 PolarHBondContact O-N 3.41Å; R30-L34 HydrophobicContact CG-CD1 4.31Å; R30-L34 WeakPolarHBondContact O-CG 3.21Å; R30-L34 PolarHBondContact O-N 3Å |
| 31 | R | 88.8 | Confident | 83.8 | Confident | 174 Ų | 174 | 112.7 Ų | 112.7 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.1 | -49.8 | 175 | -175.7 | -175.7 | 179.1 | -159.8 | 0.2 | 111.4 | A27 E28 K33 L34 L35 | A27-R31 PolarHBondContact O-N 3.2Å; E28-R31 WeakPolarHBondContact O-CB 3.38Å; E28-R31 PolarHBondContact O-N 2.85Å; E28-R31 VanDerWaalsContact O-N 3.12Å; R31-K33 PolarHBondContact O-N 3.49Å; R31-L34 PolarHBondContact O-N 3.18Å; R31-L35 HydrophobicContact CG-CD1 4.3Å; R31-L35 WeakPolarHBondContact O-CG 3.27Å; R31-L35 PolarHBondContact O-N 2.98Å |
| 32 | R | 88.6 | Confident | 84.3 | Confident | 158 Ų | 158 | 113.7 Ų | 113.7 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.2 | -45.4 | 176.7 | -67.8 | -179.3 | -174 | -148.1 | 6.3 | 111.2 | E28 L34 L35 M36 | E28-R32 WeakPolarHBondContact O-CG 3.37Å; E28-R32 PolarHBondContact O-N 3.34Å; E28-R32 IonicContact OE1-CZ 3.19Å; E28-R32 IonicContact OE1-NE 2.88Å; E28-R32 PolarHBondContact OE1-NE 2.9Å; E28-R32 IonicContact OE1-NH2 2.67Å; E28-R32 PolarHBondContact OE1-NH2 2.92Å; R32-L34 PolarHBondContact O-N 3.41Å; R32-L35 PolarHBondContact O-N 2.84Å; R32-M36 VanDerWaalsContact O-CG 3.31Å; R32-M36 WeakPolarHBondContact O-CG 3.36Å; R32-M36 PolarHBondContact O-N 3.27Å |
| 33 | K | 90 | Very high | 84.7 | Confident | 145 Ų | 145 | 113 Ų | 113 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.2 | -39 | 175.6 | -77.2 | -176.3 | 175.5 | -170.2 | 0 | 113.7 | L29 R30 R31 N37 | L29-K33 WeakPolarHBondContact O-CB 3.19Å; L29-K33 WeakPolarHBondContact O-CG 3.32Å; L29-K33 PolarHBondContact O-N 2.94Å; R30-K33 PolarHBondContact O-N 3.41Å; R31-K33 PolarHBondContact O-N 3.49Å; K33-N37 WeakPolarHBondContact O-CB 3.45Å; K33-N37 PolarHBondContact O-N 2.97Å |
| 34 | L | 88.9 | Confident | 85.1 | Confident | 110 Ų | 110 | 117.6 Ų | 117.6 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67 | -41 | 176.2 | -73.1 | 169.3 | 0 | 0 | 0 | 112 | R30 R31 R32 N37 S38 | R30-L34 HydrophobicContact CG-CD1 4.31Å; R30-L34 WeakPolarHBondContact O-CG 3.21Å; R30-L34 PolarHBondContact O-N 3Å; R31-L34 PolarHBondContact O-N 3.18Å; R32-L34 PolarHBondContact O-N 3.41Å; L34-N37 PolarHBondContact O-N 3.32Å; L34-S38 PolarHBondContact O-N 3.43Å; L34-S38 PolarHBondContact O-OG 3.49Å |
| 35 | L | 87.1 | Confident | 85.2 | Confident | 96 Ų | 96 | 119.3 Ų | 119.3 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.1 | -53.5 | 175.2 | -69.4 | 168.9 | 0 | 0 | 0 | 111.1 | R31 R32 N37 S38 E39 | R31-L35 HydrophobicContact CG-CD1 4.3Å; R31-L35 WeakPolarHBondContact O-CG 3.27Å; R31-L35 PolarHBondContact O-N 2.98Å; R32-L35 PolarHBondContact O-N 2.84Å; L35-N37 PolarHBondContact O-N 3.36Å; L35-S38 PolarHBondContact O-N 3.49Å; L35-S38 PolarHBondContact O-OG 2.87Å; L35-E39 WeakPolarHBondContact O-CB 3.26Å; L35-E39 PolarHBondContact O-N 3.29Å |
| 36 | M | 83.8 | Confident | 85 | Confident | 109 Ų | 109 | 117.6 Ų | 117.6 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.4 | -35.1 | 177.7 | -60.6 | -65.2 | -76.7 | 0 | 0 | 112.4 | R32 Q40 | R32-M36 VanDerWaalsContact O-CG 3.31Å; R32-M36 WeakPolarHBondContact O-CG 3.36Å; R32-M36 PolarHBondContact O-N 3.27Å; M36-Q40 WeakPolarHBondContact O-CB 3.34Å; M36-Q40 VanDerWaalsContact O-CG 3.25Å; M36-Q40 WeakPolarHBondContact O-CG 3.27Å; M36-Q40 PolarHBondContact O-N 3.4Å |
| 37 | N | 87.4 | Confident | 84.3 | Confident | 81 Ų | 81 | 110.8 Ų | 110.8 | 43% | 0.433 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.7 | -39.7 | 174.9 | -175.6 | -102.9 | 0 | 0 | 0 | 112.6 | K33 L34 L35 E39 Q40 R41 | K33-N37 WeakPolarHBondContact O-CB 3.45Å; K33-N37 PolarHBondContact O-N 2.97Å; L34-N37 PolarHBondContact O-N 3.32Å; L35-N37 PolarHBondContact O-N 3.36Å; N37-E39 VanDerWaalsContact C-N 3.3Å; N37-E39 PolarHBondContact O-N 2.9Å; N37-Q40 PolarHBondContact O-N 3.49Å; N37-R41 WeakPolarHBondContact O-CG 3.5Å; N37-R41 PolarHBondContact O-N 2.87Å |
| 38 | S | 86.2 | Confident | 83.3 | Confident | 61 Ų | 61 | 114.4 Ų | 114.4 | 43% | 0.427 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 174 | 66.7 | 0 | 0 | 0 | 0 | 112.1 | L34 L35 R41 I42 | L34-S38 PolarHBondContact O-N 3.43Å; L34-S38 PolarHBondContact O-OG 3.49Å; L35-S38 PolarHBondContact O-N 3.49Å; L35-S38 PolarHBondContact O-OG 2.87Å; S38-R41 PolarHBondContact O-N 2.9Å; S38-I42 PolarHBondContact O-N 3.43Å |
| 39 | E | 83.1 | Confident | 82 | Confident | 99 Ų | 99 | 117.5 Ų | 117.5 | 46% | 0.463 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69 | -45.9 | 175.9 | -167.9 | -174.3 | 151.2 | 0 | 0 | 111.9 | L35 N37 R41 I42 N43 | L35-E39 WeakPolarHBondContact O-CB 3.26Å; L35-E39 PolarHBondContact O-N 3.29Å; N37-E39 VanDerWaalsContact C-N 3.3Å; N37-E39 PolarHBondContact O-N 2.9Å; E39-R41 PolarHBondContact O-N 2.91Å; E39-I42 WeakPolarHBondContact O-CG2 3.21Å; E39-I42 PolarHBondContact O-N 3.49Å; E39-I42 VanDerWaalsContact O-N 3.16Å; E39-N43 WeakPolarHBondContact O-CB 3.25Å; E39-N43 VanDerWaalsContact O-CG 3.25Å; E39-N43 PolarHBondContact O-N 2.85Å |
| 40 | Q | 84 | Confident | 80.4 | Confident | 115 Ų | 115 | 121.3 Ų | 121.3 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.8 | -33.5 | 172.1 | -74.8 | 170.9 | -5.9 | 0 | 0 | 112.6 | M36 N37 R44 | M36-Q40 WeakPolarHBondContact O-CB 3.34Å; M36-Q40 VanDerWaalsContact O-CG 3.25Å; M36-Q40 WeakPolarHBondContact O-CG 3.27Å; M36-Q40 PolarHBondContact O-N 3.4Å; N37-Q40 PolarHBondContact O-N 3.49Å; Q40-R44 PolarHBondContact O-N 3.34Å |
| 41 | R | 83.4 | Confident | 78.6 | Confident | 154 Ų | 154 | 118.5 Ų | 118.5 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -73.7 | -43.4 | 173.8 | -72.3 | 177.8 | 67 | -142.4 | -3.2 | 112 | N37 S38 E39 R44 I45 | N37-R41 WeakPolarHBondContact O-CG 3.5Å; N37-R41 PolarHBondContact O-N 2.87Å; S38-R41 PolarHBondContact O-N 2.9Å; E39-R41 PolarHBondContact O-N 2.91Å; R41-R44 PolarHBondContact O-N 3.03Å; R41-I45 WeakPolarHBondContact O-CG1 3.29Å; R41-I45 PolarHBondContact O-N 3.43Å; R41-I45 VanDerWaalsContact O-N 3.1Å |
| 42 | I | 85.6 | Confident | 76.5 | Confident | 88 Ų | 88 | 113 Ų | 113 | 45% | 0.451 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.4 | -41.1 | -179.9 | -143.2 | 175 | 0 | 0 | 0 | 111 | S38 E39 R44 I45 M46 | S38-I42 PolarHBondContact O-N 3.43Å; E39-I42 WeakPolarHBondContact O-CG2 3.21Å; E39-I42 PolarHBondContact O-N 3.49Å; E39-I42 VanDerWaalsContact O-N 3.16Å; I42-R44 PolarHBondContact O-N 2.83Å; I42-I45 PolarHBondContact O-N 3.08Å; I42-M46 HydrophobicContact CD1-SD 4.29Å; I42-M46 HydrophobicContact CG1-CG 4.31Å; I42-M46 HydrophobicContact CG1-SD 3.98Å; I42-M46 HydrophobicContact CG2-SD 4.41Å; I42-M46 WeakPolarHBondContact O-CB 3.25Å; I42-M46 WeakPolarHBondContact O-CG 3.2Å; I42-M46 PolarHBondContact O-N 2.73Å |
| 43 | N | 82.8 | Confident | 74.1 | Confident | 53 Ų | 53 | 110 Ų | 110 | 28% | 0.283 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -29.1 | 177.6 | -68.3 | -11.3 | 0 | 0 | 0 | 112.4 | E39 G47 F48 | E39-N43 WeakPolarHBondContact O-CB 3.25Å; E39-N43 VanDerWaalsContact O-CG 3.25Å; E39-N43 PolarHBondContact O-N 2.85Å; N43-G47 PolarHBondContact O-N 3.36Å; N43-F48 HydrophobicContact CB-CB 4.24Å; N43-F48 HydrophobicContact CB-CD2 4.47Å; N43-F48 PolarHBondContact O-N 2.83Å |
| 44 | R | 82.4 | Confident | 71.8 | Confident | 176 Ų | 176 | 106.9 Ų | 106.9 | 66% | 0.664 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74 | -38.3 | 171.5 | -169.5 | -177.9 | -58.6 | 171.4 | 3.1 | 112.9 | Q40 R41 I42 | Q40-R44 PolarHBondContact O-N 3.34Å; R41-R44 PolarHBondContact O-N 3.03Å; I42-R44 PolarHBondContact O-N 2.83Å |
| 45 | I | 79.9 | Confident | 69.3 | Low | 134 Ų | 134 | 105.9 Ų | 105.9 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.2 | -38 | 177.9 | -67.3 | 164.7 | 0 | 0 | 0 | 111.1 | R41 I42 G47 | R41-I45 WeakPolarHBondContact O-CG1 3.29Å; R41-I45 PolarHBondContact O-N 3.43Å; R41-I45 VanDerWaalsContact O-N 3.1Å; I42-I45 PolarHBondContact O-N 3.08Å; I45-G47 PolarHBondContact O-N 3.38Å |
| 46 | M | 78.1 | Confident | 67 | Low | 109 Ų | 109 | 109.9 Ų | 109.9 | 54% | 0.537 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | 2.6 | 178.4 | -64.6 | -179.9 | 74.1 | 0 | 0 | 113.8 | I42 F48 | I42-M46 HydrophobicContact CD1-SD 4.29Å; I42-M46 HydrophobicContact CG1-CG 4.31Å; I42-M46 HydrophobicContact CG1-SD 3.98Å; I42-M46 HydrophobicContact CG2-SD 4.41Å; I42-M46 WeakPolarHBondContact O-CB 3.25Å; I42-M46 WeakPolarHBondContact O-CG 3.2Å; I42-M46 PolarHBondContact O-N 2.73Å; M46-F48 VanDerWaalsContact C-N 3.27Å; M46-F48 HydrophobicContact CB-CD2 3.76Å; M46-F48 HydrophobicContact CB-CE2 3.77Å; M46-F48 HydrophobicContact CB-CG 4.44Å; M46-F48 HydrophobicContact CB-CZ 4.45Å; M46-F48 HydrophobicContact CE-CE2 3.58Å; M46-F48 HydrophobicContact CE-CZ 3.9Å; M46-F48 HydrophobicContact CG-CE2 4.42Å; M46-F48 PolarHBondContact O-N 2.91Å; M46-F48 HydrophobicContact SD-CD2 4.46Å; M46-F48 HydrophobicContact SD-CE2 3.84Å |
| 47 | G | 68.2 | Low | 64.9 | Low | 55 Ų | 55 | 113.5 Ų | 113.5 | 57% | 0.567 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.2 | 10.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N43 I45 H49 | N43-G47 PolarHBondContact O-N 3.36Å; I45-G47 PolarHBondContact O-N 3.38Å; G47-H49 PolarHBondContact O-N 2.95Å; G47-H49 VanDerWaalsContact O-N 3.07Å |
| 48 | F | 64 | Low | 62.4 | Low | 135 Ų | 135 | 117.1 Ų | 117.1 | 59% | 0.592 | 63% | 0.626 | S | S | * | * | trans | -69.2 | -1.9 | -179.9 | -66.9 | -47.4 | 0 | 0 | 0 | 114.5 | N43 M46 R50 | N43-F48 HydrophobicContact CB-CB 4.24Å; N43-F48 HydrophobicContact CB-CD2 4.47Å; N43-F48 PolarHBondContact O-N 2.83Å; M46-F48 VanDerWaalsContact C-N 3.27Å; M46-F48 HydrophobicContact CB-CD2 3.76Å; M46-F48 HydrophobicContact CB-CE2 3.77Å; M46-F48 HydrophobicContact CB-CG 4.44Å; M46-F48 HydrophobicContact CB-CZ 4.45Å; M46-F48 HydrophobicContact CE-CE2 3.58Å; M46-F48 HydrophobicContact CE-CZ 3.9Å; M46-F48 HydrophobicContact CG-CE2 4.42Å; M46-F48 PolarHBondContact O-N 2.91Å; M46-F48 HydrophobicContact SD-CD2 4.46Å; M46-F48 HydrophobicContact SD-CE2 3.84Å; F48-R50 PolarHBondContact O-N 2.97Å | ||
| 49 | H | 57.1 | Low | 59.8 | Low | 128 Ų | 128 | 119.6 Ų | 119.6 | 59% | 0.593 | 63% | 0.634 | S | S | * | * | trans | -69.7 | 76.1 | 160.7 | -83.6 | -68.4 | 0 | 0 | 0 | 110.6 | G47 P51 | G47-H49 PolarHBondContact O-N 2.95Å; G47-H49 VanDerWaalsContact O-N 3.07Å; H49-P51 VanDerWaalsContact O-CD 3.29Å; H49-P51 WeakPolarHBondContact O-CD 3.38Å | ||
| 50 | R | 51.8 | Low | 57.5 | Low | 183 Ų | 183 | 122.4 Ų | 122.4 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | trans | -57.3 | 117.8 | 171.7 | 174.8 | 176.7 | 174 | 155.8 | -3.6 | 110.2 | F48 G52 | F48-R50 PolarHBondContact O-N 2.97Å; R50-G52 PolarHBondContact NE-O 2.93Å; R50-G52 PolarHBondContact O-N 3.27Å | ||
| 51 | P | 49.9 | Very low | 55.1 | Low | 126 Ų | 126 | 122.5 Ų | 122.5 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -75.5 | 113.8 | 168.2 | 30.8 | -30.7 | 0 | 0 | 0 | 108.7 | H49 | H49-P51 VanDerWaalsContact O-CD 3.29Å; H49-P51 WeakPolarHBondContact O-CD 3.38Å |
| 52 | G | 45.5 | Very low | 52.7 | Low | 58 Ų | 58 | 124.2 Ų | 124.2 | 60% | 0.598 | 67% | 0.668 | S | S | * | * | trans | 86.3 | 105.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R50 | R50-G52 PolarHBondContact NE-O 2.93Å; R50-G52 PolarHBondContact O-N 3.27Å | ||
| 53 | S | 37.6 | Very low | 50.2 | Low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | trans | -156.2 | 104.7 | 145.2 | -157.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 54 | G | 40.8 | Very low | 48 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 81% | 0.814 | 70% | 0.704 | S | S | * | * | trans | -90.1 | 131.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 55 | A | 36.5 | Very low | 46.1 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | 176.8 | 124.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 56 | E | 40.1 | Very low | 43.9 | Very low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | cis | -173.7 | -174.2 | -13.7 | -118.5 | 160.3 | -145 | 0 | 0 | 104 | ||||
| 57 | E | 39.7 | Very low | 41.6 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | 59.5 | 94.9 | 178.3 | -55.7 | -168.9 | 132.1 | 0 | 0 | 116.2 | ||||
| 58 | E | 34.6 | Very low | 39.9 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 73% | 0.729 | 72% | 0.721 | S | S | * | * | 82 | 99.1 | 78 | -164.1 | -162.6 | 127.5 | 0 | 0 | 114.9 | |||||
| 59 | N | 31.2 | Very low | 38.4 | Very low | 113 Ų | 113 | 132 Ų | 132 | 60% | 0.604 | 73% | 0.728 | S | S | * | * | -166.3 | 158.2 | 100.6 | -120 | -60.8 | 0 | 0 | 0 | 116.5 | |||||
| 60 | Q | 34.8 | Very low | 37.2 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | -43.4 | 151.1 | -175.4 | -58.2 | 156.5 | 56.4 | 0 | 0 | 115.5 | ||||
| 61 | T | 32.8 | Very low | 36.4 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | -166.3 | 152.6 | 59.5 | 42.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 62 | K | 33.4 | Very low | 35.6 | Very low | 189 Ų | 189 | 132.9 Ų | 132.9 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | 78.8 | 91 | 147.8 | -74.2 | 170.6 | 179.3 | 179.2 | 0 | 122.6 | ||||
| 63 | S | 32.8 | Very low | 34.8 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | 61.4 | 94.6 | 122 | 60.9 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 64 | K | 37.3 | Very low | 34.6 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | 22.3 | 148.3 | 105.8 | -174.2 | 172.3 | -177.4 | 173.4 | 0 | 119.1 | Q66 | K64-Q66 VanDerWaalsContact CE-OE1 3.24Š| |||
| 65 | P | 42.9 | Very low | 34 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | cis | -133.8 | 162.1 | 12.8 | 18.4 | 8.1 | 0 | 0 | 0 | 120.8 | ||||
| 66 | Q | 33.6 | Very low | 34 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | 27.7 | 137.5 | 131.9 | -58.5 | 168 | -114.6 | 0 | 0 | 122.5 | K64 | K64-Q66 VanDerWaalsContact CE-OE1 3.24Š| ||
| 67 | D | 29.3 | Very low | 34.5 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | -141.9 | 171.6 | 96.2 | -146.1 | -11.5 | 0 | 0 | 0 | 111.8 | |||||
| 68 | S | 32.8 | Very low | 34.2 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | trans | -144.8 | 150.2 | -166.3 | 178.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 69 | D | 31.6 | Very low | 34.2 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | 164.3 | 159.9 | 120.2 | -93.8 | 4.3 | 0 | 0 | 0 | 117.8 | |||||
| 70 | K | 33 | Very low | 34.1 | Very low | 175 Ų | 175 | 131 Ų | 131 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | trans | 69.5 | 108 | 160.7 | -76.2 | 174.6 | 177.1 | -178.5 | 0 | 118.9 | ||||
| 71 | L | 34.3 | Very low | 34.5 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | 52.2 | 133.1 | 71.9 | -53.7 | 171.1 | 0 | 0 | 0 | 112.1 | |||||
| 72 | N | 32.2 | Very low | 34.6 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -172.1 | 173.3 | 8.3 | -108.6 | -2.5 | 0 | 0 | 0 | 107.8 | ||||
| 73 | S | 29.4 | Very low | 34.6 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | cis | -177.1 | 149.4 | -15.8 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 74 | L | 33.7 | Very low | 34.8 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 95% | 0.948 | 75% | 0.749 | S | S | * | * | trans | 58 | 131.6 | 155.9 | -65.9 | 163.9 | 0 | 0 | 0 | 120.8 | ||||
| 75 | G | 29 | Very low | 34.6 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | 150.4 | 120.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 76 | V | 36.7 | Very low | 34.1 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -156.8 | 147.9 | -178.4 | -166.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 77 | P | 50.7 | Low | 34.2 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | cis | -128.9 | -165 | -37.6 | 39.8 | -22.9 | 0 | 0 | 0 | 113.1 | ||||
| 78 | S | 32.1 | Very low | 34.3 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | 108.7 | 149 | 141 | -157.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 79 | V | 35.1 | Very low | 34.4 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | 125.4 | 112.5 | 143.9 | -178.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 80 | S | 29.2 | Very low | 34.3 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 59% | 0.594 | 78% | 0.781 | S | S | * | * | trans | 62.7 | 120.9 | 148 | -70.3 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 81 | K | 43 | Very low | 34.2 | Very low | 190 Ų | 190 | 128.9 Ų | 128.9 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | 59.9 | 155.6 | 120.3 | -56.2 | 171 | 179.4 | 172 | 0 | 118.8 | |||||
| 82 | R | 35.6 | Very low | 34 | Very low | 222 Ų | 222 | 125.4 Ų | 125.4 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | cis | -166.2 | 171.2 | 25 | -156.8 | -162.3 | -65.6 | -170.4 | -0.7 | 111.8 | ||||
| 83 | V | 33.1 | Very low | 34 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | 91.3 | 154.9 | 158 | -173.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 84 | V | 35.7 | Very low | 34.2 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | trans | -145.4 | 168.1 | -167.5 | 168.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 85 | L | 33.5 | Very low | 34.1 | Very low | 171 Ų | 171 | 124.6 Ų | 124.6 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | 74.7 | 151.1 | -177.4 | -105.7 | 66 | 0 | 0 | 0 | 114.5 | ||||
| 86 | G | 31.8 | Very low | 34.5 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | cis | -168 | -179.4 | 2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 87 | D | 36.7 | Very low | 35.1 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -84 | 161.5 | -169.3 | -149.4 | -17.5 | 0 | 0 | 0 | 114.4 | ||||
| 88 | S | 30.5 | Very low | 33.9 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -166.3 | 155.3 | 171.7 | -83 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 89 | V | 35.8 | Very low | 33.7 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -128.8 | 139.9 | -148.2 | -176.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 90 | S | 30.3 | Very low | 33.6 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | trans | 167.4 | 157.3 | 148.7 | 41.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 91 | G | 30.1 | Very low | 33.6 | Very low | 78 Ų | 78 | 126.9 Ų | 126.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | cis | 169.2 | 85.3 | -11.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 92 | G | 30.6 | Very low | 33 | Very low | 72 Ų | 72 | 126.3 Ų | 126.3 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 66.5 | 135.9 | 148.5 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 93 | T | 32.2 | Very low | 33 | Very low | 143 Ų | 143 | 120.2 Ų | 120.2 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | 170 | 142.9 | 123 | 31 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 94 | S | 33 | Very low | 32.9 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 52.2 | 147 | 158.7 | -72.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 95 | D | 30.6 | Very low | 32.5 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | cis | -160.5 | 153.2 | -10.1 | -120.3 | -50.4 | 0 | 0 | 0 | 115.2 | ||||
| 96 | Q | 39.1 | Very low | 32.3 | Very low | 174 Ų | 174 | 118.3 Ų | 118.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 63.9 | 155.3 | 156 | -66.5 | -102.3 | 18.6 | 0 | 0 | 124.3 | ||||
| 97 | P | 47.5 | Very low | 32.4 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -138.9 | 174.9 | -161.2 | 45.1 | -27 | 0 | 0 | 0 | 118.5 | ||||
| 98 | S | 26.6 | Very low | 32.1 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | 176.4 | 156.6 | 146.3 | -80.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 99 | G | 27.4 | Very low | 32 | Very low | 63 Ų | 63 | 120.7 Ų | 120.7 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | cis | 149.6 | 132 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 100 | V | 32.8 | Very low | 31.7 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | 71.1 | 117.7 | 172.6 | -164.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 101 | A | 30.3 | Very low | 31.7 | Very low | 90 Ų | 90 | 124.7 Ų | 124.7 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | 64.3 | 150.7 | 71.4 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 102 | E | 30.8 | Very low | 32.2 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | cis | -153.7 | -165.1 | 6.4 | -147.1 | -157.6 | 159.7 | 0 | 0 | 107.6 | ||||
| 103 | V | 33.9 | Very low | 32.1 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 57% | 0.57 | 76% | 0.761 | S | S | * | * | cis | -166.2 | 166.3 | 5.3 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 104 | K | 31.4 | Very low | 32.1 | Very low | 190 Ų | 190 | 128.6 Ų | 128.6 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | 67.6 | 152.6 | 163.5 | -90.5 | 164 | -172.9 | 175.6 | 0 | 118.8 | ||||
| 105 | G | 27.4 | Very low | 32 | Very low | 60 Ų | 60 | 132.1 Ų | 132.1 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | cis | 99.3 | 142.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 106 | T | 30.2 | Very low | 32.2 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | cis | -168.2 | 153.1 | -4.2 | -39.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 107 | Q | 32.1 | Very low | 31.7 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 67.9 | 169.8 | 170.3 | -36.4 | -171 | 99.2 | 0 | 0 | 115.9 | ||||
| 108 | L | 31.5 | Very low | 30.9 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | cis | -155.3 | 158.8 | -3.2 | -163.2 | 72.8 | 0 | 0 | 0 | 109.4 | ||||
| 109 | G | 27.3 | Very low | 31.4 | Very low | 61 Ų | 61 | 132.1 Ų | 132.1 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | trans | 97.8 | 120.4 | 137.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 110 | D | 30.3 | Very low | 31.7 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | 21 | 133.7 | 142 | -51.7 | -26.5 | 0 | 0 | 0 | 121.8 | ||||
| 111 | K | 31.2 | Very low | 31.5 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | 176.9 | 135.5 | 95 | 179.1 | 166.8 | -169.6 | -53.3 | 0 | 113.1 | |||||
| 112 | L | 39.8 | Very low | 31.4 | Very low | 151 Ų | 151 | 138 Ų | 138 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -75.8 | 137.4 | 160.7 | -84 | 79.3 | 0 | 0 | 0 | 110.4 | ||||
| 113 | D | 29.6 | Very low | 31.3 | Very low | 125 Ų | 125 | 135 Ų | 135 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | -178.9 | 167.9 | 112.7 | -126.2 | -53.8 | 0 | 0 | 0 | 114.8 | |||||
| 114 | S | 30.8 | Very low | 31.2 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | 64.1 | 118.2 | 162.9 | -58.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 115 | F | 31.4 | Very low | 31.2 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | cis | 81.7 | 110.8 | 49.2 | -79.4 | -78.2 | 0 | 0 | 0 | 116.2 | ||||
| 116 | I | 34.1 | Very low | 31.5 | Very low | 147 Ų | 147 | 136 Ų | 136 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | 61.5 | 122.3 | 148.6 | -59.4 | 160.1 | 0 | 0 | 0 | 115.8 | ||||
| 117 | Q | 29.8 | Very low | 31.8 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | -173.2 | 160 | 57 | -154.7 | 178.4 | -7.4 | 0 | 0 | 111.9 | |||||
| 118 | P | 30.5 | Very low | 32 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -112 | 155.8 | 152.9 | 35.9 | -26.8 | 0 | 0 | 0 | 112.9 | ||||
| 119 | P | 36.6 | Very low | 32.2 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -82.1 | 165.1 | -162.6 | 33.3 | -38 | 0 | 0 | 0 | 116 | ||||
| 120 | E | 33.2 | Very low | 32.6 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -94.4 | 164.2 | -177.6 | -63.8 | -168.1 | 109.7 | 0 | 0 | 115.3 | ||||
| 121 | C | 30.1 | Very low | 33.2 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | 79.9 | 112.7 | 149.8 | -157.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 122 | S | 27.2 | Very low | 33.4 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -152.6 | 120.1 | 131.7 | -169.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 123 | S | 28.8 | Very low | 33.3 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -0.5 | 135.5 | 165.4 | -53.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 124 | N | 31.6 | Very low | 33.9 | Very low | 153 Ų | 153 | 155.5 Ų | 155.5 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -102.1 | 170.1 | 175.4 | -163.5 | 42.7 | 0 | 0 | 0 | 113.4 | ||||
| 125 | D | 32.6 | Very low | 34.2 | Very low | 148 Ų | 148 | 154.6 Ų | 154.6 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -52.3 | 158.2 | -174.2 | -69.7 | -54.8 | 0 | 0 | 0 | 117.7 | ||||
| 126 | G | 33.6 | Very low | 34.4 | Very low | 66 Ų | 66 | 153.5 Ų | 153.5 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | trans | -106.4 | -171.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 127 | V | 36.6 | Very low | 35.4 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 95% | 0.952 | 82% | 0.822 | S | S | * | * | trans | 83.1 | 127 | -174.1 | -170.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 128 | E | 34.9 | Very low | 35.5 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -88.3 | 152.3 | -159 | -56.6 | 170.8 | 106 | 0 | 0 | 114.8 | ||||
| 129 | L | 36.3 | Very low | 36.1 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | trans | -103.9 | 127 | 174.5 | -130.2 | 167.5 | 0 | 0 | 0 | 110.7 | Q131 | L129-Q131 PolarHBondContact O-N 3.33Š| ||
| 130 | R | 35.2 | Very low | 36.3 | Very low | 247 Ų | 247 | 146.5 Ų | 146.5 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | -71.2 | 81.9 | -171.2 | -170.2 | 179.2 | 176.6 | 134.1 | -0.6 | 114.2 | ||||
| 131 | Q | 43.3 | Very low | 36.7 | Very low | 171 Ų | 171 | 142 Ų | 142 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | 7.4 | 112.9 | 151.6 | -166.2 | -174.2 | 79.6 | 0 | 0 | 118.7 | L129 | L129-Q131 PolarHBondContact O-N 3.33Š| ||
| 132 | R | 35.5 | Very low | 37.4 | Very low | 245 Ų | 245 | 140.9 Ų | 140.9 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -161.1 | 90.4 | 144.7 | -102.3 | -179.8 | 179.2 | 171.5 | -0.9 | 106 | ||||
| 133 | S | 37.5 | Very low | 38.2 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | 55.3 | 89.4 | 67.1 | -165.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 134 | R | 43.3 | Very low | 39.1 | Very low | 252 Ų | 252 | 145.9 Ų | 145.9 | 95% | 0.951 | 80% | 0.799 | S | S | * | * | 177.7 | 108.9 | 108.4 | -172.5 | 174.1 | -170.2 | 174.9 | 2.7 | 110.7 | |||||
| 135 | G | 35.1 | Very low | 39.9 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 149.4 | 96.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 136 | D | 36.1 | Very low | 40.8 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -109.3 | 178.5 | -179.7 | -150.3 | 27.1 | 0 | 0 | 0 | 109.5 | ||||
| 137 | P | 54.7 | Low | 41.6 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | -120.1 | 172 | -98.2 | 37 | -21.8 | 0 | 0 | 0 | 113.3 | |||||
| 138 | T | 31.8 | Very low | 42.6 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | -145.8 | 110.8 | 153.8 | -35 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 139 | A | 44.6 | Very low | 44 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 87% | 0.868 | 73% | 0.728 | S | S | * | * | trans | -67.5 | 142.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 140 | G | 41 | Very low | 45.3 | Very low | 48 Ų | 48 | 129.3 Ų | 129.3 | 50% | 0.495 | 71% | 0.71 | S | S | . | * | trans | 142.3 | 25.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | R144 | G140-R144 VanDerWaalsContact O-CZ 3.24Å; G140-R144 PolarHBondContact O-NH1 3.43Å; G140-R144 PolarHBondContact O-NH2 3.01Å | ||
| 141 | S | 41.5 | Very low | 47.1 | Very low | 87 Ų | 87 | 122.7 Ų | 122.7 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | trans | -106.6 | -26 | -178.6 | 53.3 | 0 | 0 | 0 | 0 | 115.1 | Q143 R144 | S141-Q143 VanDerWaalsContact C-N 3.31Å; S141-Q143 PolarHBondContact O-N 2.9Å; S141-R144 PolarHBondContact O-N 3.23Å | ||
| 142 | A | 43.5 | Very low | 48.4 | Very low | 97 Ų | 97 | 120 Ų | 120 | 80% | 0.802 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -40.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 143 | Q | 45.8 | Very low | 49.9 | Very low | 165 Ų | 165 | 117.1 Ų | 117.1 | 77% | 0.771 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -8.8 | 179.7 | -159.2 | 171.8 | 6.5 | 0 | 0 | 113.6 | S141 S146 | S141-Q143 VanDerWaalsContact C-N 3.31Å; S141-Q143 PolarHBondContact O-N 2.9Å; Q143-S146 PolarHBondContact O-OG 3.49Å |
| 144 | R | 47.7 | Very low | 51.5 | Low | 172 Ų | 172 | 116.1 Ų | 116.1 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -92.1 | -21.5 | -175.2 | -156.2 | 174.2 | -71.4 | 131.4 | 1.4 | 112.8 | G140 S141 H148 | G140-R144 VanDerWaalsContact O-CZ 3.24Å; G140-R144 PolarHBondContact O-NH1 3.43Å; G140-R144 PolarHBondContact O-NH2 3.01Å; S141-R144 PolarHBondContact O-N 3.23Å; R144-H148 WeakPolarHBondContact O-CB 3.4Å; R144-H148 PolarHBondContact O-N 3.4Å; R144-H148 VanDerWaalsContact O-N 3.11Å |
| 145 | A | 47.8 | Very low | 52.9 | Low | 71 Ų | 71 | 107 Ų | 107 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.6 | -38.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H148 G149 | A145-H148 PolarHBondContact O-N 3.41Å; A145-G149 PolarHBondContact O-N 2.97Å; A145-G149 VanDerWaalsContact O-N 3.13Å |
| 146 | S | 50.5 | Low | 54.7 | Low | 82 Ų | 82 | 110.8 Ų | 110.8 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.7 | -47.1 | 178 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | Q143 H148 G149 L150 | Q143-S146 PolarHBondContact O-OG 3.49Å; S146-H148 PolarHBondContact O-N 3.17Å; S146-G149 PolarHBondContact O-N 2.92Å; S146-L150 PolarHBondContact O-N 3.25Å; S146-L150 VanDerWaalsContact O-N 3.13Å |
| 147 | H | 51.7 | Low | 56.5 | Low | 121 Ų | 121 | 108.1 Ų | 108.1 | 56% | 0.56 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58.2 | -46.5 | 172.3 | -78.1 | -91.8 | 0 | 0 | 0 | 111.3 | G149 L150 E151 | H147-G149 VanDerWaalsContact C-N 3.25Å; H147-G149 PolarHBondContact O-N 2.86Å; H147-L150 PolarHBondContact O-N 3.39Å; H147-E151 WeakPolarHBondContact O-CG 3.37Å; H147-E151 PolarHBondContact O-N 2.7Å |
| 148 | H | 56.7 | Low | 57.7 | Low | 139 Ų | 139 | 110 Ų | 110 | 64% | 0.644 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62 | -33.4 | -177.4 | -148.3 | -5.8 | 0 | 0 | 0 | 113.1 | R144 A145 S146 Q152 | R144-H148 WeakPolarHBondContact O-CB 3.4Å; R144-H148 PolarHBondContact O-N 3.4Å; R144-H148 VanDerWaalsContact O-N 3.11Å; A145-H148 PolarHBondContact O-N 3.41Å; S146-H148 PolarHBondContact O-N 3.17Å; H148-Q152 WeakPolarHBondContact O-CB 3.39Å; H148-Q152 PolarHBondContact O-N 3.11Å; H148-Q152 VanDerWaalsContact O-N 3.12Å |
| 149 | G | 64.4 | Low | 59.9 | Low | 29 Ų | 29 | 108.7 Ų | 108.7 | 30% | 0.299 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.2 | -45.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A145 S146 H147 Q152 Y153 | A145-G149 PolarHBondContact O-N 2.97Å; A145-G149 VanDerWaalsContact O-N 3.13Å; S146-G149 PolarHBondContact O-N 2.92Å; H147-G149 VanDerWaalsContact C-N 3.25Å; H147-G149 PolarHBondContact O-N 2.86Å; G149-Q152 CarbonylContact O-C 3.6Å; G149-Q152 WeakPolarHBondContact O-CA 3.46Å; G149-Q152 WeakPolarHBondContact O-CB 3.47Å; G149-Q152 PolarHBondContact O-N 3.45Å; G149-Q152 VanDerWaalsContact O-N 3.09Å; G149-Y153 VanDerWaalsContact O-CD2 3.28Å; G149-Y153 WeakPolarHBondContact O-CD2 3.45Å; G149-Y153 PolarHBondContact O-N 3.29Å |
| 150 | L | 64.4 | Low | 61 | Low | 102 Ų | 102 | 106.4 Ų | 106.4 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -42.7 | 178.5 | -167.9 | 150.9 | 0 | 0 | 0 | 111.7 | S146 H147 Q152 Y153 L154 | S146-L150 PolarHBondContact O-N 3.25Å; S146-L150 VanDerWaalsContact O-N 3.13Å; H147-L150 PolarHBondContact O-N 3.39Å; L150-Q152 PolarHBondContact O-N 3.27Å; L150-Y153 PolarHBondContact O-N 2.91Å; L150-Y153 VanDerWaalsContact O-N 3.08Å; L150-L154 HydrophobicContact CD2-CD1 3.53Å; L150-L154 HydrophobicContact CD2-CG 3.84Å; L150-L154 PolarHBondContact O-N 3.27Å |
| 151 | E | 71.8 | Confident | 62.4 | Low | 107 Ų | 107 | 106.5 Ų | 106.5 | 50% | 0.5 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.3 | -34.2 | 171.1 | -67.7 | -59.2 | 150.8 | 0 | 0 | 112.2 | H147 L154 S155 | H147-E151 WeakPolarHBondContact O-CG 3.37Å; H147-E151 PolarHBondContact O-N 2.7Å; E151-L154 PolarHBondContact O-N 3.34Å; E151-S155 WeakPolarHBondContact O-CB 3.1Å; E151-S155 PolarHBondContact O-N 2.92Å; E151-S155 PolarHBondContact O-OG 3.41Å |
| 152 | Q | 71.8 | Confident | 64 | Low | 116 Ų | 116 | 108.6 Ų | 108.6 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.7 | -24.5 | 175.7 | -166.5 | 168.6 | 67.3 | 0 | 0 | 113.3 | H148 G149 L150 S155 | H148-Q152 WeakPolarHBondContact O-CB 3.39Å; H148-Q152 PolarHBondContact O-N 3.11Å; H148-Q152 VanDerWaalsContact O-N 3.12Å; G149-Q152 CarbonylContact O-C 3.6Å; G149-Q152 WeakPolarHBondContact O-CA 3.46Å; G149-Q152 WeakPolarHBondContact O-CB 3.47Å; G149-Q152 PolarHBondContact O-N 3.45Å; G149-Q152 VanDerWaalsContact O-N 3.09Å; L150-Q152 PolarHBondContact O-N 3.27Å; Q152-S155 WeakPolarHBondContact CA-OG 3.3Å; Q152-S155 PolarHBondContact O-OG 3.03Å |
| 153 | Y | 66.4 | Low | 64.9 | Low | 184 Ų | 184 | 109 Ų | 109 | 72% | 0.722 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -77.4 | -43.2 | 166.9 | -80.8 | -75.4 | 0 | 0 | 0 | 111.9 | G149 L150 R156 F157 | G149-Y153 VanDerWaalsContact O-CD2 3.28Å; G149-Y153 WeakPolarHBondContact O-CD2 3.45Å; G149-Y153 PolarHBondContact O-N 3.29Å; L150-Y153 PolarHBondContact O-N 2.91Å; L150-Y153 VanDerWaalsContact O-N 3.08Å; Y153-R156 PolarHBondContact O-N 3.07Å; Y153-F157 VanDerWaalsContact O-CB 3.3Å; Y153-F157 WeakPolarHBondContact O-CB 3.44Å; Y153-F157 PolarHBondContact O-N 3.16Å |
| 154 | L | 71.4 | Confident | 65.8 | Low | 86 Ų | 86 | 104.9 Ų | 104.9 | 45% | 0.45 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 177.6 | -73.5 | -178.1 | 0 | 0 | 0 | 111.9 | L150 E151 R156 F157 E158 | L150-L154 HydrophobicContact CD2-CD1 3.53Å; L150-L154 HydrophobicContact CD2-CG 3.84Å; L150-L154 PolarHBondContact O-N 3.27Å; E151-L154 PolarHBondContact O-N 3.34Å; L154-R156 PolarHBondContact O-N 3.48Å; L154-F157 CarbonylContact O-C 3.58Å; L154-F157 PolarHBondContact O-N 3.07Å; L154-E158 WeakPolarHBondContact O-CB 3.48Å; L154-E158 PolarHBondContact O-N 3.46Å |
| 155 | S | 72.3 | Confident | 66.7 | Low | 61 Ų | 61 | 103.8 Ų | 103.8 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -39 | 176.8 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | E151 Q152 E158 E159 | E151-S155 WeakPolarHBondContact O-CB 3.1Å; E151-S155 PolarHBondContact O-N 2.92Å; E151-S155 PolarHBondContact O-OG 3.41Å; Q152-S155 WeakPolarHBondContact CA-OG 3.3Å; Q152-S155 PolarHBondContact O-OG 3.03Å; S155-E158 PolarHBondContact O-N 2.84Å; S155-E159 VanDerWaalsContact O-CB 3.27Å; S155-E159 WeakPolarHBondContact O-CB 3.33Å; S155-E159 PolarHBondContact O-N 3.28Å |
| 156 | R | 73.9 | Confident | 67.3 | Low | 159 Ų | 159 | 105.5 Ų | 105.5 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.7 | -33.7 | 172.5 | -78.6 | -163.5 | 171.4 | 108 | 2.7 | 113.7 | Y153 L154 A160 | Y153-R156 PolarHBondContact O-N 3.07Å; L154-R156 PolarHBondContact O-N 3.48Å; R156-A160 WeakPolarHBondContact O-CB 3.32Å; R156-A160 PolarHBondContact O-N 2.95Å |
| 157 | F | 73.5 | Confident | 67.5 | Low | 101 Ų | 101 | 108 Ų | 108 | 44% | 0.443 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 173.5 | 175.6 | -95.5 | 0 | 0 | 0 | 111.3 | Y153 L154 A160 M161 L247 | Y153-F157 VanDerWaalsContact O-CB 3.3Å; Y153-F157 WeakPolarHBondContact O-CB 3.44Å; Y153-F157 PolarHBondContact O-N 3.16Å; L154-F157 CarbonylContact O-C 3.58Å; L154-F157 PolarHBondContact O-N 3.07Å; F157-A160 PolarHBondContact O-N 3.07Å; F157-M161 HydrophobicContact CD1-CG 4.29Å; F157-M161 HydrophobicContact CE1-CG 3.86Å; F157-M161 HydrophobicContact CE2-CG 4.26Å; F157-M161 HydrophobicContact CZ-CG 3.84Å; F157-M161 HydrophobicContact CZ-SD 4.36Å; F157-M161 VanDerWaalsContact O-CB 3.31Å; F157-M161 WeakPolarHBondContact O-CB 3.27Å; F157-M161 VanDerWaalsContact O-CG 3.29Å; F157-M161 WeakPolarHBondContact O-CG 3.48Å; F157-M161 PolarHBondContact O-N 3.44Å; F157-L247 HydrophobicContact CE2-CD2 3.7Å; F157-L247 HydrophobicContact CZ-CD1 4.31Å; F157-L247 HydrophobicContact CZ-CD2 3.59Å |
| 158 | E | 79.3 | Confident | 67.8 | Low | 136 Ų | 136 | 106.3 Ų | 106.3 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.6 | -42.9 | 173.2 | -173.4 | 176.7 | -175.7 | 0 | 0 | 111.2 | L154 S155 A160 M161 K162 | L154-E158 WeakPolarHBondContact O-CB 3.48Å; L154-E158 PolarHBondContact O-N 3.46Å; S155-E158 PolarHBondContact O-N 2.84Å; E158-A160 PolarHBondContact O-N 3.11Å; E158-M161 CarbonylContact O-C 3.52Å; E158-M161 PolarHBondContact O-N 3.5Å; E158-K162 WeakPolarHBondContact O-CB 3.4Å; E158-K162 PolarHBondContact O-N 3.39Å |
| 159 | E | 77 | Confident | 67.4 | Low | 115 Ų | 115 | 104.1 Ų | 104.1 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 173.4 | -175.3 | 173.6 | -145.4 | 0 | 0 | 111.2 | S155 M161 K162 L163 | S155-E159 VanDerWaalsContact O-CB 3.27Å; S155-E159 WeakPolarHBondContact O-CB 3.33Å; S155-E159 PolarHBondContact O-N 3.28Å; E159-M161 PolarHBondContact O-N 2.85Å; E159-K162 PolarHBondContact O-N 3.29Å; E159-L163 HydrophobicContact CG-CD1 4.41Å; E159-L163 WeakPolarHBondContact O-CB 3.5Å; E159-L163 WeakPolarHBondContact O-CG 3.13Å; E159-L163 PolarHBondContact O-N 2.87Å |
| 160 | A | 68.7 | Low | 66.4 | Low | 57 Ų | 57 | 110.3 Ų | 110.3 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R156 F157 E158 K162 R164 | R156-A160 WeakPolarHBondContact O-CB 3.32Å; R156-A160 PolarHBondContact O-N 2.95Å; F157-A160 PolarHBondContact O-N 3.07Å; E158-A160 PolarHBondContact O-N 3.11Å; A160-K162 VanDerWaalsContact C-N 3.33Å; A160-R164 VanDerWaalsContact O-CB 3.29Å; A160-R164 WeakPolarHBondContact O-CB 3.4Å; A160-R164 PolarHBondContact O-N 2.88Å |
| 161 | M | 70.5 | Confident | 65.3 | Low | 50 Ų | 50 | 112.7 Ų | 112.7 | 25% | 0.246 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -69.9 | -28.4 | 175.1 | -78.3 | -74.5 | -72.9 | 0 | 0 | 112.8 | F157 E158 E159 K165 L247 | F157-M161 HydrophobicContact CD1-CG 4.29Å; F157-M161 HydrophobicContact CE1-CG 3.86Å; F157-M161 HydrophobicContact CE2-CG 4.26Å; F157-M161 HydrophobicContact CZ-CG 3.84Å; F157-M161 HydrophobicContact CZ-SD 4.36Å; F157-M161 VanDerWaalsContact O-CB 3.31Å; F157-M161 WeakPolarHBondContact O-CB 3.27Å; F157-M161 VanDerWaalsContact O-CG 3.29Å; F157-M161 WeakPolarHBondContact O-CG 3.48Å; F157-M161 PolarHBondContact O-N 3.44Å; E158-M161 CarbonylContact O-C 3.52Å; E158-M161 PolarHBondContact O-N 3.5Å; E159-M161 PolarHBondContact O-N 2.85Å; M161-K165 WeakPolarHBondContact O-CB 3.41Å; M161-K165 VanDerWaalsContact O-CG 3.31Å; M161-K165 WeakPolarHBondContact O-CG 3.29Å; M161-K165 PolarHBondContact O-N 3.44Å; M161-L247 HydrophobicContact CE-CD1 4.18Å; M161-L247 HydrophobicContact SD-CD1 4.49Å |
| 162 | K | 75.8 | Confident | 63.9 | Low | 131 Ų | 131 | 112.7 Ų | 112.7 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.9 | -45.2 | 175.5 | -175.9 | 174 | 178.5 | 178.1 | 0 | 110.7 | E158 E159 A160 R164 K165 Q166 | E158-K162 WeakPolarHBondContact O-CB 3.4Å; E158-K162 PolarHBondContact O-N 3.39Å; E159-K162 PolarHBondContact O-N 3.29Å; A160-K162 VanDerWaalsContact C-N 3.33Å; K162-R164 VanDerWaalsContact C-N 3.31Å; K162-R164 PolarHBondContact O-N 3.06Å; K162-K165 WeakPolarHBondContact O-CB 3.22Å; K162-K165 PolarHBondContact O-N 3.24Å; K162-Q166 WeakPolarHBondContact O-CG 3.31Å; K162-Q166 PolarHBondContact O-N 2.78Å |
| 163 | L | 62.1 | Low | 62.2 | Low | 104 Ų | 104 | 111.2 Ų | 111.2 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.1 | -42 | 169.3 | -69.8 | 168.5 | 0 | 0 | 0 | 111.2 | E159 Q166 L167 | E159-L163 HydrophobicContact CG-CD1 4.41Å; E159-L163 WeakPolarHBondContact O-CB 3.5Å; E159-L163 WeakPolarHBondContact O-CG 3.13Å; E159-L163 PolarHBondContact O-N 2.87Å; L163-Q166 PolarHBondContact O-N 3.32Å; L163-L167 WeakPolarHBondContact O-CB 3.22Å; L163-L167 PolarHBondContact O-N 2.78Å |
| 164 | R | 65.1 | Low | 61 | Low | 80 Ų | 80 | 110.7 Ų | 110.7 | 30% | 0.302 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.3 | -39.7 | 173.6 | -170.8 | -179.9 | -175.6 | -178.2 | 4.9 | 112.7 | A160 K162 L167 I168 | A160-R164 VanDerWaalsContact O-CB 3.29Å; A160-R164 WeakPolarHBondContact O-CB 3.4Å; A160-R164 PolarHBondContact O-N 2.88Å; K162-R164 VanDerWaalsContact C-N 3.31Å; K162-R164 PolarHBondContact O-N 3.06Å; R164-L167 PolarHBondContact O-N 3.27Å; R164-I168 HydrophobicContact CG-CD1 4Å; R164-I168 WeakPolarHBondContact O-CB 3.43Å; R164-I168 VanDerWaalsContact O-CG1 3.25Å; R164-I168 WeakPolarHBondContact O-CG1 3.45Å; R164-I168 PolarHBondContact O-N 2.87Å |
| 165 | K | 65.3 | Low | 59.6 | Low | 148 Ų | 148 | 114.5 Ų | 114.5 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.2 | -40.4 | 172.8 | -81.5 | 173.7 | 178 | 177.9 | 0 | 111.5 | M161 K162 I168 S169 | M161-K165 WeakPolarHBondContact O-CB 3.41Å; M161-K165 VanDerWaalsContact O-CG 3.31Å; M161-K165 WeakPolarHBondContact O-CG 3.29Å; M161-K165 PolarHBondContact O-N 3.44Å; K162-K165 WeakPolarHBondContact O-CB 3.22Å; K162-K165 PolarHBondContact O-N 3.24Å; K165-I168 PolarHBondContact O-N 2.88Å; K165-S169 WeakPolarHBondContact O-CB 3.46Å; K165-S169 PolarHBondContact O-N 3.27Å; K165-S169 PolarHBondContact O-OG 2.88Å |
| 166 | Q | 61.4 | Low | 58.2 | Low | 107 Ų | 107 | 114.2 Ų | 114.2 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.7 | -48.4 | 174.9 | -73.2 | 175.9 | -78.5 | 0 | 0 | 111 | K162 L163 I168 S169 E170 | K162-Q166 WeakPolarHBondContact O-CG 3.31Å; K162-Q166 PolarHBondContact O-N 2.78Å; L163-Q166 PolarHBondContact O-N 3.32Å; Q166-I168 PolarHBondContact O-N 2.98Å; Q166-S169 WeakPolarHBondContact CA-OG 3.1Å; Q166-S169 CarbonylContact O-C 3.5Å; Q166-S169 WeakPolarHBondContact O-CA 3.3Å; Q166-S169 PolarHBondContact O-N 3.21Å; Q166-S169 PolarHBondContact O-OG 2.89Å; Q166-E170 PolarHBondContact O-N 2.71Å |
| 167 | L | 54.2 | Low | 56.9 | Low | 134 Ų | 134 | 108.8 Ų | 108.8 | 70% | 0.702 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.3 | -18.6 | 177.4 | -169.8 | 143.8 | 0 | 0 | 0 | 114 | L163 R164 | L163-L167 WeakPolarHBondContact O-CB 3.22Å; L163-L167 PolarHBondContact O-N 2.78Å; R164-L167 PolarHBondContact O-N 3.27Å |
| 168 | I | 56.8 | Low | 55.4 | Low | 87 Ų | 87 | 108 Ų | 108 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -89.4 | -27.7 | 169.9 | -69.6 | 168.3 | 0 | 0 | 0 | 111.7 | R164 K165 Q166 T238 | R164-I168 HydrophobicContact CG-CD1 4Å; R164-I168 WeakPolarHBondContact O-CB 3.43Å; R164-I168 VanDerWaalsContact O-CG1 3.25Å; R164-I168 WeakPolarHBondContact O-CG1 3.45Å; R164-I168 PolarHBondContact O-N 2.87Å; K165-I168 PolarHBondContact O-N 2.88Å; Q166-I168 PolarHBondContact O-N 2.98Å; I168-T238 HydrophobicContact CD1-CG2 4.22Å |
| 169 | S | 48.6 | Very low | 54 | Low | 93 Ų | 93 | 104.8 Ų | 104.8 | 65% | 0.65 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -80.5 | -22.5 | 173.5 | 71.8 | 0 | 0 | 0 | 0 | 113.4 | K165 Q166 K171 | K165-S169 WeakPolarHBondContact O-CB 3.46Å; K165-S169 PolarHBondContact O-N 3.27Å; K165-S169 PolarHBondContact O-OG 2.88Å; Q166-S169 WeakPolarHBondContact CA-OG 3.1Å; Q166-S169 CarbonylContact O-C 3.5Å; Q166-S169 WeakPolarHBondContact O-CA 3.3Å; Q166-S169 PolarHBondContact O-N 3.21Å; Q166-S169 PolarHBondContact O-OG 2.89Å; S169-K171 VanDerWaalsContact C-N 3.28Å; S169-K171 PolarHBondContact O-N 3.47Å |
| 170 | E | 44 | Very low | 52.8 | Low | 159 Ų | 159 | 102.9 Ų | 102.9 | 74% | 0.743 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -68.7 | 92 | 167.6 | -161.5 | 166 | 141.1 | 0 | 0 | 107.6 | Q166 | Q166-E170 PolarHBondContact O-N 2.71Š|
| 171 | K | 40.5 | Very low | 52.2 | Low | 152 Ų | 152 | 106.7 Ų | 106.7 | 66% | 0.661 | 56% | 0.559 | S | S | * | * | trans | -37 | 128.7 | -172.5 | 178 | -173.6 | 174.5 | -171.2 | 0 | 111.5 | S169 S173 | S169-K171 VanDerWaalsContact C-N 3.28Å; S169-K171 PolarHBondContact O-N 3.47Å; K171-S173 PolarHBondContact O-N 2.87Å; K171-S173 VanDerWaalsContact O-N 3.09Å | ||
| 172 | P | 44 | Very low | 51.7 | Low | 106 Ų | 106 | 110.3 Ų | 110.3 | 69% | 0.688 | 58% | 0.576 | S | S | * | * | trans | -55.5 | 122.8 | 174.2 | 24.3 | -33.5 | 0 | 0 | 0 | 109.1 | Q174 | P172-Q174 PolarHBondContact O-N 2.87Š| ||
| 173 | S | 35.1 | Very low | 51.1 | Low | 86 Ų | 86 | 105.9 Ų | 105.9 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | trans | -57.4 | 133.1 | 179.7 | 44.3 | 0 | 0 | 0 | 0 | 109.6 | K171 E175 | K171-S173 PolarHBondContact O-N 2.87Å; K171-S173 VanDerWaalsContact O-N 3.09Å; S173-E175 PolarHBondContact O-N 2.87Å | ||
| 174 | Q | 41.8 | Very low | 51.4 | Low | 173 Ų | 173 | 104.2 Ų | 104.2 | 81% | 0.808 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -82.5 | 67.3 | -163.3 | -172 | 175.5 | -26.7 | 0 | 0 | 111 | P172 | P172-Q174 PolarHBondContact O-N 2.87Š|
| 175 | E | 41.1 | Very low | 52.1 | Low | 166 Ų | 166 | 104 Ų | 104 | 78% | 0.776 | 56% | 0.559 | S | S | * | * | trans | -130.5 | 22.1 | -170.1 | -143.3 | 173.1 | 132.4 | 0 | 0 | 113.2 | S173 | S173-E175 PolarHBondContact O-N 2.87Š| ||
| 176 | D | 43.8 | Very low | 52.5 | Low | 55 Ų | 55 | 100.5 Ų | 100.5 | 29% | 0.294 | 54% | 0.544 | S | S | . | . | trans | -112.2 | 29.8 | 176 | -66.9 | -65.7 | 0 | 0 | 0 | 112.4 | T180 K235 | D176-T180 WeakPolarHBondContact O-CB 3.39Å; D176-T180 PolarHBondContact O-OG1 2.92Å; D176-K235 WeakPolarHBondContact OD1-CE 3.49Å; D176-K235 IonicContact OD1-NZ 3.24Å; D176-K235 PolarHBondContact OD1-NZ 3.35Å; D176-K235 WeakPolarHBondContact OD2-CD 3.4Å; D176-K235 IonicContact OD2-NZ 2.78Å; D176-K235 PolarHBondContact OD2-NZ 3.12Å | ||
| 177 | G | 46.1 | Very low | 53.2 | Low | 44 Ų | 44 | 100 Ų | 100 | 45% | 0.454 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -65.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | T179 T180 E181 | G177-T179 PolarHBondContact O-N 3.32Å; G177-T180 PolarHBondContact O-N 2.86Å; G177-T180 VanDerWaalsContact O-N 3.16Å; G177-E181 PolarHBondContact O-N 3.33Å |
| 178 | S | 43.2 | Very low | 54.5 | Low | 85 Ų | 85 | 98.6 Ų | 98.6 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59 | -42.7 | -172.8 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | T180 E181 E182 | S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 3.3Å; S178-E181 PolarHBondContact O-N 3.43Å; S178-E182 PolarHBondContact O-N 2.92Å |
| 179 | T | 48.8 | Very low | 55.7 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 42% | 0.417 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.5 | -35.7 | -179.8 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | G177 F183 | G177-T179 PolarHBondContact O-N 3.32Å; T179-F183 VanDerWaalsContact O-CD2 3.23Å; T179-F183 WeakPolarHBondContact O-CD2 3.44Å; T179-F183 PolarHBondContact O-N 2.9Å |
| 180 | T | 53 | Low | 57.4 | Low | 75 Ų | 75 | 98.2 Ų | 98.2 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.5 | -41.4 | 179.8 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | D176 G177 S178 E182 F183 D184 | D176-T180 WeakPolarHBondContact O-CB 3.39Å; D176-T180 PolarHBondContact O-OG1 2.92Å; G177-T180 PolarHBondContact O-N 2.86Å; G177-T180 VanDerWaalsContact O-N 3.16Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 3.3Å; T180-E182 PolarHBondContact O-N 2.9Å; T180-F183 PolarHBondContact O-N 3.06Å; T180-D184 PolarHBondContact O-N 3.18Å |
| 181 | E | 56 | Low | 59.2 | Low | 137 Ų | 137 | 93.7 Ų | 93.7 | 64% | 0.64 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -35.5 | -179.9 | -68 | 176.3 | 143.4 | 0 | 0 | 112.9 | G177 S178 S185 | G177-E181 PolarHBondContact O-N 3.33Å; S178-E181 PolarHBondContact O-N 3.43Å; E181-S185 WeakPolarHBondContact O-CB 3.08Å; E181-S185 PolarHBondContact O-N 3.31Å; E181-S185 PolarHBondContact O-OG 3.13Å |
| 182 | E | 59.9 | Low | 61.3 | Low | 127 Ų | 127 | 90.1 Ų | 90.1 | 59% | 0.593 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.4 | -48.1 | 171.4 | -72.1 | -171 | 177.5 | 0 | 0 | 111.7 | S178 T180 D184 S185 F186 | S178-E182 PolarHBondContact O-N 2.92Å; T180-E182 PolarHBondContact O-N 2.9Å; E182-D184 VanDerWaalsContact C-N 3.33Å; E182-D184 PolarHBondContact O-N 2.94Å; E182-S185 WeakPolarHBondContact O-CB 3.37Å; E182-S185 PolarHBondContact O-N 3.4Å; E182-S185 VanDerWaalsContact O-N 3.17Å; E182-F186 WeakPolarHBondContact O-CD2 3.39Å; E182-F186 PolarHBondContact O-N 3.32Å |
| 183 | F | 61.5 | Low | 63.1 | Low | 38 Ų | 38 | 86.1 Ų | 86.1 | 17% | 0.167 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | -179 | -85.3 | -74.3 | 0 | 0 | 0 | 112.6 | T179 T180 F186 R187 Y226 K231 K234 | T179-F183 VanDerWaalsContact O-CD2 3.23Å; T179-F183 WeakPolarHBondContact O-CD2 3.44Å; T179-F183 PolarHBondContact O-N 2.9Å; T180-F183 PolarHBondContact O-N 3.06Å; F183-F186 PolarHBondContact O-N 2.78Å; F183-R187 WeakPolarHBondContact O-CG 3.44Å; F183-R187 PolarHBondContact O-N 3.2Å; F183-Y226 HydrophobicContact CE1-CE2 4.42Å; F183-K231 HydrophobicContact CD1-CD 4.35Å; F183-K231 HydrophobicContact CE1-CB 4.03Å; F183-K231 HydrophobicContact CE1-CD 3.7Å; F183-K231 HydrophobicContact CE1-CG 3.73Å; F183-K231 HydrophobicContact CZ-CB 3.97Å; F183-K231 HydrophobicContact CZ-CD 4.28Å; F183-K231 HydrophobicContact CZ-CG 3.78Å; F183-K234 HydrophobicContact CE2-CG 4.43Å; F183-K234 HydrophobicContact CZ-CG 4.36Å |
| 184 | D | 69.3 | Low | 65.4 | Low | 69 Ų | 69 | 82 Ų | 82 | 37% | 0.369 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.8 | -33.5 | 176.3 | -78.5 | -17.6 | 0 | 0 | 0 | 112.2 | T180 E182 F186 R187 I188 | T180-D184 PolarHBondContact O-N 3.18Å; E182-D184 VanDerWaalsContact C-N 3.33Å; E182-D184 PolarHBondContact O-N 2.94Å; D184-F186 VanDerWaalsContact C-N 3.33Å; D184-F186 PolarHBondContact O-N 3.11Å; D184-R187 WeakPolarHBondContact O-CB 3.26Å; D184-R187 PolarHBondContact O-N 2.94Å; D184-R187 VanDerWaalsContact O-N 3.13Å; D184-R187 WeakPolarHBondContact OD1-CD 3.44Å; D184-R187 IonicContact OD1-CZ 2.9Å; D184-R187 IonicContact OD1-NE 2.8Å; D184-R187 IonicContact OD1-NH1 3.96Å; D184-R187 PolarHBondContact OD1-NH1 2.81Å; D184-I188 WeakPolarHBondContact O-CD1 3.38Å; D184-I188 VanDerWaalsContact O-CG1 3.26Å; D184-I188 WeakPolarHBondContact O-CG1 3.37Å; D184-I188 PolarHBondContact O-N 3.39Å |
| 185 | S | 78.9 | Confident | 67.4 | Low | 75 Ų | 75 | 75.2 Ų | 75.2 | 52% | 0.524 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 170.1 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | E181 E182 F189 | E181-S185 WeakPolarHBondContact O-CB 3.08Å; E181-S185 PolarHBondContact O-N 3.31Å; E181-S185 PolarHBondContact O-OG 3.13Å; E182-S185 WeakPolarHBondContact O-CB 3.37Å; E182-S185 PolarHBondContact O-N 3.4Å; E182-S185 VanDerWaalsContact O-N 3.17Å; S185-F189 PolarHBondContact O-N 3.05Å |
| 186 | F | 74.3 | Confident | 69.4 | Low | 74 Ų | 74 | 72.7 Ų | 72.7 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 173.4 | -79.1 | -78.1 | 0 | 0 | 0 | 112.9 | E182 F183 D184 R190 Y222 K231 | E182-F186 WeakPolarHBondContact O-CD2 3.39Å; E182-F186 PolarHBondContact O-N 3.32Å; F183-F186 PolarHBondContact O-N 2.78Å; D184-F186 VanDerWaalsContact C-N 3.33Å; D184-F186 PolarHBondContact O-N 3.11Å; F186-R190 WeakPolarHBondContact O-CB 3.26Å; F186-R190 PolarHBondContact O-N 3.09Å; F186-Y222 PolarHBondContact O-OH 3.4Å; F186-Y222 VanDerWaalsContact O-OH 3.09Å; F186-K231 VanDerWaalsContact CD1-NZ 3.28Å; F186-K231 VanDerWaalsContact CZ-NZ 3.32Å |
| 187 | R | 76.9 | Confident | 71.3 | Confident | 97 Ų | 97 | 72.2 Ų | 72.2 | 37% | 0.366 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 175.8 | -74.3 | 159 | 162.2 | -176.2 | -5.2 | 111.6 | F183 D184 R190 L191 E267 | F183-R187 WeakPolarHBondContact O-CG 3.44Å; F183-R187 PolarHBondContact O-N 3.2Å; D184-R187 WeakPolarHBondContact O-CB 3.26Å; D184-R187 PolarHBondContact O-N 2.94Å; D184-R187 VanDerWaalsContact O-N 3.13Å; D184-R187 WeakPolarHBondContact OD1-CD 3.44Å; D184-R187 IonicContact OD1-CZ 2.9Å; D184-R187 IonicContact OD1-NE 2.8Å; D184-R187 IonicContact OD1-NH1 3.96Å; D184-R187 PolarHBondContact OD1-NH1 2.81Å; R187-R190 PolarHBondContact O-N 3.2Å; R187-L191 VanDerWaalsContact O-CB 3.32Å; R187-L191 WeakPolarHBondContact O-CB 3.4Å; R187-L191 PolarHBondContact O-N 3.18Å; R187-E267 IonicContact CZ-OE1 2.95Å; R187-E267 IonicContact NE-OE1 2.99Å; R187-E267 PolarHBondContact NE-OE1 3.35Å; R187-E267 IonicContact NH2-OE1 3.85Å; R187-E267 PolarHBondContact NH2-OE1 2.73Å |
| 188 | I | 81.9 | Confident | 73 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 54% | 0.538 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 176.5 | -67.3 | 161.6 | 0 | 0 | 0 | 109.9 | D184 R190 L191 V192 | D184-I188 WeakPolarHBondContact O-CD1 3.38Å; D184-I188 VanDerWaalsContact O-CG1 3.26Å; D184-I188 WeakPolarHBondContact O-CG1 3.37Å; D184-I188 PolarHBondContact O-N 3.39Å; I188-R190 VanDerWaalsContact C-N 3.33Å; I188-R190 PolarHBondContact O-N 3.19Å; I188-L191 PolarHBondContact O-N 3.44Å; I188-V192 HydrophobicContact CG2-CG2 4.27Å; I188-V192 WeakPolarHBondContact O-CB 3.3Å; I188-V192 VanDerWaalsContact O-CG2 3.3Å; I188-V192 WeakPolarHBondContact O-CG2 3.38Å; I188-V192 PolarHBondContact O-N 2.92Å |
| 189 | F | 81.9 | Confident | 74.7 | Confident | 147 Ų | 147 | 70.3 Ų | 70.3 | 65% | 0.645 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -57.9 | -44.3 | 176.1 | 179.9 | -83.6 | 0 | 0 | 0 | 112.3 | S185 G193 Y222 | S185-F189 PolarHBondContact O-N 3.05Å; F189-G193 PolarHBondContact O-N 2.9Å; F189-Y222 AromaticContact CD1-CE2 3.87Å; F189-Y222 HydrophobicContact CD1-CE2 3.87Å; F189-Y222 HydrophobicContact CE1-CE2 4.12Å |
| 190 | R | 83.1 | Confident | 76 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 177.4 | -169.6 | -177.7 | 69.3 | -167.2 | 12 | 111.3 | F186 R187 I188 G193 C194 Y222 E267 D271 | F186-R190 WeakPolarHBondContact O-CB 3.26Å; F186-R190 PolarHBondContact O-N 3.09Å; R187-R190 PolarHBondContact O-N 3.2Å; I188-R190 VanDerWaalsContact C-N 3.33Å; I188-R190 PolarHBondContact O-N 3.19Å; R190-G193 PolarHBondContact O-N 2.91Å; R190-C194 PolarHBondContact O-N 3.01Å; R190-C194 PolarHBondContact O-SG 3.34Å; R190-Y222 HydrophobicContact CB-CD2 4.32Å; R190-Y222 HydrophobicContact CB-CE1 4.07Å; R190-Y222 HydrophobicContact CB-CE2 3.87Å; R190-Y222 HydrophobicContact CG-CD1 4.05Å; R190-Y222 HydrophobicContact CG-CD2 3.9Å; R190-Y222 HydrophobicContact CG-CE1 4.12Å; R190-Y222 HydrophobicContact CG-CE2 3.98Å; R190-Y222 HydrophobicContact CG-CG 3.94Å; R190-E267 IonicContact CZ-OE2 3.77Å; R190-E267 IonicContact NH1-OE2 2.77Å; R190-E267 PolarHBondContact NH1-OE2 3.16Å; R190-E267 PolarHBondContact NH2-O 2.8Å; R190-D271 WeakPolarHBondContact CD-OD2 3.33Å; R190-D271 IonicContact CZ-OD1 3.59Å; R190-D271 VanDerWaalsContact CZ-OD1 3.24Å; R190-D271 IonicContact CZ-OD2 3.85Å; R190-D271 IonicContact NE-OD1 3.92Å; R190-D271 PolarHBondContact NE-OD1 3.38Å; R190-D271 IonicContact NE-OD2 2.68Å; R190-D271 PolarHBondContact NE-OD2 3.26Å; R190-D271 IonicContact NH1-OD2 2.94Å; R190-D271 VanDerWaalsContact NH2-CG 3.26Å; R190-D271 IonicContact NH2-OD1 3.04Å; R190-D271 PolarHBondContact NH2-OD1 3.05Å; R190-D271 IonicContact NH2-OD2 2.72Å; R190-D271 PolarHBondContact NH2-OD2 3.19Å |
| 191 | L | 81.9 | Confident | 77.2 | Confident | 64 Ų | 64 | 65.4 Ų | 65.4 | 34% | 0.335 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | -178.4 | -164.9 | 69.4 | 0 | 0 | 0 | 112.3 | R187 I188 C194 A195 V274 | R187-L191 VanDerWaalsContact O-CB 3.32Å; R187-L191 WeakPolarHBondContact O-CB 3.4Å; R187-L191 PolarHBondContact O-N 3.18Å; I188-L191 PolarHBondContact O-N 3.44Å; L191-C194 PolarHBondContact O-N 3.34Å; L191-A195 PolarHBondContact O-N 3.28Å; L191-V274 HydrophobicContact CD1-CB 3.82Å; L191-V274 HydrophobicContact CD1-CG1 3.85Å; L191-V274 HydrophobicContact CD1-CG2 3.95Å; L191-V274 HydrophobicContact CG-CG1 4.24Å |
| 192 | V | 85.4 | Confident | 78.1 | Confident | 77 Ų | 77 | 60.2 Ų | 60.2 | 47% | 0.467 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 173.5 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | I188 C194 A195 L196 | I188-V192 HydrophobicContact CG2-CG2 4.27Å; I188-V192 WeakPolarHBondContact O-CB 3.3Å; I188-V192 VanDerWaalsContact O-CG2 3.3Å; I188-V192 WeakPolarHBondContact O-CG2 3.38Å; I188-V192 PolarHBondContact O-N 2.92Å; V192-C194 PolarHBondContact O-N 3.04Å; V192-A195 PolarHBondContact O-N 2.94Å; V192-L196 HydrophobicContact CG1-CD1 3.83Å; V192-L196 HydrophobicContact CG1-CG 4.22Å; V192-L196 WeakPolarHBondContact O-CB 3.39Å; V192-L196 VanDerWaalsContact O-CG 3.31Å; V192-L196 WeakPolarHBondContact O-CG 3.33Å; V192-L196 PolarHBondContact O-N 2.84Å |
| 193 | G | 82.5 | Confident | 78.6 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 24% | 0.237 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F189 R190 L197 | F189-G193 PolarHBondContact O-N 2.9Å; R190-G193 PolarHBondContact O-N 2.91Å; G193-L197 WeakPolarHBondContact O-CB 3.34Å; G193-L197 PolarHBondContact O-N 2.68Å |
| 194 | C | 83.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.3 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | R190 L191 V192 L197 A198 Y275 | R190-C194 PolarHBondContact O-N 3.01Å; R190-C194 PolarHBondContact O-SG 3.34Å; L191-C194 PolarHBondContact O-N 3.34Å; V192-C194 PolarHBondContact O-N 3.04Å; C194-L197 PolarHBondContact O-N 2.99Å; C194-A198 PolarHBondContact O-N 3.09Å; C194-Y275 WeakPolarHBondContact O-CD2 3.35Å |
| 195 | A | 82.9 | Confident | 78.6 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L191 V192 L197 A198 L199 T278 | L191-A195 PolarHBondContact O-N 3.28Å; V192-A195 PolarHBondContact O-N 2.94Å; A195-L197 VanDerWaalsContact C-N 3.29Å; A195-L197 PolarHBondContact O-N 3.28Å; A195-A198 PolarHBondContact O-N 2.98Å; A195-L199 PolarHBondContact O-N 2.67Å; A195-L199 VanDerWaalsContact O-N 3.07Å; A195-T278 HydrophobicContact CB-CG2 4.19Å |
| 196 | L | 83.9 | Confident | 77.4 | Confident | 112 Ų | 112 | 64.2 Ų | 64.2 | 59% | 0.586 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.2 | -35.2 | 174.4 | -70.6 | 174 | 0 | 0 | 0 | 111.9 | V192 G200 | V192-L196 HydrophobicContact CG1-CD1 3.83Å; V192-L196 HydrophobicContact CG1-CG 4.22Å; V192-L196 WeakPolarHBondContact O-CB 3.39Å; V192-L196 VanDerWaalsContact O-CG 3.31Å; V192-L196 WeakPolarHBondContact O-CG 3.33Å; V192-L196 PolarHBondContact O-N 2.84Å; L196-G200 PolarHBondContact O-N 3.23Å |
| 197 | L | 83.1 | Confident | 76.6 | Confident | 45 Ų | 45 | 69 Ų | 69 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 173.7 | -174.5 | 72.6 | 0 | 0 | 0 | 111.7 | G193 C194 A195 L199 G200 V201 P214 L218 Y275 | G193-L197 WeakPolarHBondContact O-CB 3.34Å; G193-L197 PolarHBondContact O-N 2.68Å; C194-L197 PolarHBondContact O-N 2.99Å; A195-L197 VanDerWaalsContact C-N 3.29Å; A195-L197 PolarHBondContact O-N 3.28Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.03Å; L197-G200 PolarHBondContact O-N 3.45Å; L197-V201 HydrophobicContact CD1-CG2 4.21Å; L197-V201 HydrophobicContact CG-CG2 4.18Å; L197-V201 WeakPolarHBondContact O-CB 3.45Å; L197-V201 WeakPolarHBondContact O-CG2 3.49Å; L197-V201 PolarHBondContact O-N 3.47Å; L197-P214 HydrophobicContact CD1-CB 4.25Å; L197-P214 HydrophobicContact CD2-CB 4.24Å; L197-P214 WeakPolarHBondContact CD2-O 3.46Å; L197-P214 HydrophobicContact CG-CB 4.47Å; L197-L218 HydrophobicContact CB-CD2 4.29Å; L197-L218 HydrophobicContact CD2-CB 3.9Å; L197-L218 HydrophobicContact CD2-CD2 3.72Å; L197-L218 HydrophobicContact CD2-CG 4.43Å; L197-Y275 HydrophobicContact CB-CE2 4.46Å; L197-Y275 HydrophobicContact CD2-CE2 4.13Å; L197-Y275 HydrophobicContact CG-CE2 4.18Å |
| 198 | A | 81 | Confident | 75.5 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | C194 A195 V201 R202 Y275 T278 F279 | C194-A198 PolarHBondContact O-N 3.09Å; A195-A198 PolarHBondContact O-N 2.98Å; A198-V201 PolarHBondContact O-N 3.02Å; A198-R202 PolarHBondContact O-N 3.38Å; A198-Y275 HydrophobicContact CB-CD2 3.64Å; A198-Y275 HydrophobicContact CB-CE2 3.79Å; A198-Y275 HydrophobicContact CB-CG 4.35Å; A198-T278 VanDerWaalsContact CB-OG1 3.3Å; A198-T278 WeakPolarHBondContact CB-OG1 3.42Å; A198-F279 HydrophobicContact CB-CB 4.23Å |
| 199 | L | 78.7 | Confident | 74.2 | Confident | 89 Ų | 89 | 75.5 Ų | 75.5 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 174.8 | -174.8 | 70.2 | 0 | 0 | 0 | 111.6 | A195 L197 V201 R202 A203 C282 | A195-L199 PolarHBondContact O-N 2.67Å; A195-L199 VanDerWaalsContact O-N 3.07Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.03Å; L199-V201 PolarHBondContact O-N 3.22Å; L199-R202 PolarHBondContact O-N 2.82Å; L199-A203 VanDerWaalsContact O-CB 3.25Å; L199-A203 WeakPolarHBondContact O-CB 3.36Å; L199-A203 PolarHBondContact O-N 3.41Å; L199-C282 HydrophobicContact CD1-CB 4.49Å |
| 200 | G | 76.2 | Confident | 73.2 | Confident | 26 Ų | 26 | 71.9 Ų | 71.9 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L196 L197 A203 F204 | L196-G200 PolarHBondContact O-N 3.23Å; L197-G200 PolarHBondContact O-N 3.45Å; G200-A203 PolarHBondContact O-N 3.05Å; G200-F204 WeakPolarHBondContact O-CB 3.35Å; G200-F204 WeakPolarHBondContact O-CD2 3.36Å; G200-F204 PolarHBondContact O-N 2.93Å |
| 201 | V | 79.6 | Confident | 72.6 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 9% | 0.091 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 178 | 172.2 | 0 | 0 | 0 | 0 | 111 | L197 A198 L199 V205 P214 F279 | L197-V201 HydrophobicContact CD1-CG2 4.21Å; L197-V201 HydrophobicContact CG-CG2 4.18Å; L197-V201 WeakPolarHBondContact O-CB 3.45Å; L197-V201 WeakPolarHBondContact O-CG2 3.49Å; L197-V201 PolarHBondContact O-N 3.47Å; A198-V201 PolarHBondContact O-N 3.02Å; L199-V201 PolarHBondContact O-N 3.22Å; V201-V205 HydrophobicContact CG1-CB 4.43Å; V201-V205 CarbonylContact O-C 3.58Å; V201-V205 WeakPolarHBondContact O-CA 3.27Å; V201-V205 WeakPolarHBondContact O-CB 3.39Å; V201-V205 PolarHBondContact O-N 2.84Å; V201-P214 HydrophobicContact CG1-CG 4.2Å; V201-P214 HydrophobicContact CG2-CB 3.86Å; V201-P214 HydrophobicContact CG2-CG 3.48Å; V201-P214 VanDerWaalsContact CG2-CG 3.48Å; V201-F279 HydrophobicContact CG1-CE2 4.43Å |
| 202 | R | 73.6 | Confident | 72.1 | Confident | 28 Ų | 28 | 75.6 Ų | 75.6 | 11% | 0.106 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.1 | -35.9 | 173.2 | -173.6 | 60.1 | 167.2 | 82.2 | -4.4 | 112.3 | A198 L199 C206 F279 H283 L286 D287 | A198-R202 PolarHBondContact O-N 3.38Å; L199-R202 PolarHBondContact O-N 2.82Å; R202-C206 PolarHBondContact NH1-SG 3.3Å; R202-C206 VanDerWaalsContact NH1-SG 3.41Å; R202-C206 PolarHBondContact O-SG 3.21Å; R202-F279 HydrophobicContact CB-CD2 4.21Å; R202-F279 HydrophobicContact CB-CE2 4.06Å; R202-H283 PolarHBondContact NE-CD2 3.49Å; R202-H283 PolarHBondContact NH2-CD2 2.89Å; R202-H283 PolarHBondContact NH2-CE1 3.22Å; R202-H283 VanDerWaalsContact NH2-CG 3.25Å; R202-H283 PolarHBondContact NH2-ND1 3.04Å; R202-H283 PolarHBondContact NH2-NE2 2.85Å; R202-L286 HydrophobicContact CG-CD1 3.74Å; R202-D287 IonicContact CZ-OD1 2.73Å; R202-D287 IonicContact NH2-OD1 2.81Å; R202-D287 PolarHBondContact NH2-OD1 3.28Å; R202-D287 IonicContact NH2-OD2 2.78Å |
| 203 | A | 71 | Confident | 71.1 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 55% | 0.554 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -72 | -41.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L199 G200 | L199-A203 VanDerWaalsContact O-CB 3.25Å; L199-A203 WeakPolarHBondContact O-CB 3.36Å; L199-A203 PolarHBondContact O-N 3.41Å; G200-A203 PolarHBondContact O-N 3.05Å |
| 204 | F | 68.1 | Low | 70.5 | Confident | 184 Ų | 184 | 74.5 Ų | 74.5 | 81% | 0.807 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -108.1 | -21 | -170.8 | -69.2 | -81.7 | 0 | 0 | 0 | 115.2 | G200 | G200-F204 WeakPolarHBondContact O-CB 3.35Å; G200-F204 WeakPolarHBondContact O-CD2 3.36Å; G200-F204 PolarHBondContact O-N 2.93Å |
| 205 | V | 62.3 | Low | 70.1 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 33% | 0.327 | 40% | 0.4 | S | S | . | . | trans | -125.7 | 23.4 | -162.2 | -151 | 0 | 0 | 0 | 0 | 113.5 | V201 K207 L209 | V201-V205 HydrophobicContact CG1-CB 4.43Å; V201-V205 CarbonylContact O-C 3.58Å; V201-V205 WeakPolarHBondContact O-CA 3.27Å; V201-V205 WeakPolarHBondContact O-CB 3.39Å; V201-V205 PolarHBondContact O-N 2.84Å; V205-K207 PolarHBondContact O-N 2.95Å; V205-L209 HydrophobicContact CG1-CB 3.85Å; V205-L209 HydrophobicContact CG1-CD1 4.22Å; V205-L209 HydrophobicContact CG1-CD2 4.31Å; V205-L209 HydrophobicContact CG1-CG 4.34Å | ||
| 206 | C | 54.9 | Low | 69.4 | Low | 87 Ų | 87 | 78.1 Ų | 78.1 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -1.1 | 179.5 | -90.4 | 0 | 0 | 0 | 0 | 117.5 | R202 | R202-C206 PolarHBondContact NH1-SG 3.3Å; R202-C206 VanDerWaalsContact NH1-SG 3.41Å; R202-C206 PolarHBondContact O-SG 3.21Å |
| 207 | K | 55.8 | Low | 68.5 | Low | 174 Ų | 174 | 77.2 Ų | 77.2 | 76% | 0.757 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -79.5 | -175.1 | -123.2 | 174.1 | 172.9 | 60 | 0 | 114 | V205 | V205-K207 PolarHBondContact O-N 2.95Š|
| 208 | Y | 54.1 | Low | 67.9 | Low | 209 Ų | 209 | 77.6 Ų | 77.6 | 82% | 0.82 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.4 | 42.4 | -167.2 | -69 | -68.1 | 0 | 0 | 0 | 115.8 | ||
| 209 | L | 55.8 | Low | 67.8 | Low | 131 Ų | 131 | 78.2 Ų | 78.2 | 69% | 0.686 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -114.9 | 145.7 | 163.6 | -84.3 | 74.8 | 0 | 0 | 0 | 110.3 | V205 I211 | V205-L209 HydrophobicContact CG1-CB 3.85Å; V205-L209 HydrophobicContact CG1-CD1 4.22Å; V205-L209 HydrophobicContact CG1-CD2 4.31Å; V205-L209 HydrophobicContact CG1-CG 4.34Å; L209-I211 PolarHBondContact O-N 3.39Å |
| 210 | S | 61.2 | Low | 67.3 | Low | 71 Ų | 71 | 80 Ų | 80 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | trans | -59.9 | 126 | -179.6 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | F212 A213 P214 | S210-F212 PolarHBondContact O-N 3.07Å; S210-F212 VanDerWaalsContact O-N 3.08Å; S210-F212 PolarHBondContact OG-N 2.87Å; S210-A213 WeakPolarHBondContact O-CB 3.23Å; S210-A213 PolarHBondContact O-N 2.99Å; S210-P214 WeakPolarHBondContact O-CD 3.39Å | ||
| 211 | I | 70 | Confident | 66.9 | Low | 62 Ų | 62 | 81.2 Ų | 81.2 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -30 | 176.3 | -65.9 | 166.4 | 0 | 0 | 0 | 111.8 | L209 Y275 F279 | L209-I211 PolarHBondContact O-N 3.39Å; I211-Y275 HydrophobicContact CG2-CE1 4.02Å; I211-Y275 WeakPolarHBondContact O-CE1 3.39Å; I211-Y275 PolarHBondContact O-OH 3.24Å; I211-F279 HydrophobicContact CD1-CE1 3.79Å; I211-F279 HydrophobicContact CD1-CZ 3.73Å; I211-F279 HydrophobicContact CG1-CE1 4.39Å; I211-F279 HydrophobicContact CG1-CE2 4.43Å; I211-F279 HydrophobicContact CG1-CZ 3.94Å; I211-F279 HydrophobicContact CG2-CD1 4.5Å; I211-F279 HydrophobicContact CG2-CE1 4.41Å; I211-F279 HydrophobicContact CG2-CE2 4.48Å; I211-F279 HydrophobicContact CG2-CZ 4.4Å |
| 212 | F | 71.4 | Confident | 66.7 | Low | 103 Ų | 103 | 82.2 Ų | 82.2 | 45% | 0.452 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -83.8 | -26.2 | 178.8 | -65.1 | -82.7 | 0 | 0 | 0 | 113.8 | S210 F215 L216 L272 | S210-F212 PolarHBondContact O-N 3.07Å; S210-F212 VanDerWaalsContact O-N 3.08Å; S210-F212 PolarHBondContact OG-N 2.87Å; F212-F215 PolarHBondContact O-N 3.13Å; F212-L216 HydrophobicContact CB-CD1 4.03Å; F212-L216 HydrophobicContact CB-CG 4.45Å; F212-L216 VanDerWaalsContact O-CB 3.29Å; F212-L216 WeakPolarHBondContact O-CB 3.49Å; F212-L216 WeakPolarHBondContact O-CG 3.08Å; F212-L216 PolarHBondContact O-N 3.17Å; F212-L272 HydrophobicContact CD1-CD1 4.4Å; F212-L272 HydrophobicContact CE1-CD1 4.19Å |
| 213 | A | 64.8 | Low | 66.4 | Low | 46 Ų | 46 | 86.2 Ų | 86.2 | 38% | 0.38 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.6 | -48.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S210 T217 | S210-A213 WeakPolarHBondContact O-CB 3.23Å; S210-A213 PolarHBondContact O-N 2.99Å; A213-T217 WeakPolarHBondContact O-CG2 3.19Å; A213-T217 PolarHBondContact O-N 3.17Å; A213-T217 PolarHBondContact O-OG1 3.4Å |
| 214 | P | 68.3 | Low | 66.1 | Low | 31 Ų | 31 | 84.4 Ų | 84.4 | 20% | 0.201 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 178.3 | 27.7 | -33.1 | 0 | 0 | 0 | 112 | L197 V201 S210 T217 L218 | L197-P214 HydrophobicContact CD1-CB 4.25Å; L197-P214 HydrophobicContact CD2-CB 4.24Å; L197-P214 WeakPolarHBondContact CD2-O 3.46Å; L197-P214 HydrophobicContact CG-CB 4.47Å; V201-P214 HydrophobicContact CG1-CG 4.2Å; V201-P214 HydrophobicContact CG2-CB 3.86Å; V201-P214 HydrophobicContact CG2-CG 3.48Å; V201-P214 VanDerWaalsContact CG2-CG 3.48Å; S210-P214 WeakPolarHBondContact O-CD 3.39Å; P214-T217 PolarHBondContact O-N 2.82Å; P214-T217 PolarHBondContact O-OG1 3.45Å; P214-T217 VanDerWaalsContact O-OG1 3.07Å; P214-L218 PolarHBondContact O-N 3Å |
| 215 | F | 75.1 | Confident | 65.9 | Low | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.018 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 174.8 | 175.3 | -94.6 | 0 | 0 | 0 | 110.9 | F212 T217 L218 Q219 D271 L272 Y275 | F212-F215 PolarHBondContact O-N 3.13Å; F215-T217 VanDerWaalsContact C-N 3.35Å; F215-T217 PolarHBondContact O-N 3.01Å; F215-L218 PolarHBondContact O-N 3.22Å; F215-Q219 HydrophobicContact CE1-CB 4.28Å; F215-Q219 HydrophobicContact CE1-CG 4.23Å; F215-Q219 HydrophobicContact CZ-CB 4.45Å; F215-Q219 HydrophobicContact CZ-CG 4.18Å; F215-Q219 VanDerWaalsContact O-CB 3.27Å; F215-Q219 WeakPolarHBondContact O-CB 3.12Å; F215-Q219 PolarHBondContact O-N 3.02Å; F215-D271 HydrophobicContact CE2-CB 4.17Å; F215-D271 HydrophobicContact CZ-CB 4.17Å; F215-L272 HydrophobicContact CD1-CD1 3.9Å; F215-L272 HydrophobicContact CE1-CB 3.86Å; F215-L272 HydrophobicContact CE1-CD1 3.71Å; F215-L272 HydrophobicContact CE1-CG 4.3Å; F215-L272 HydrophobicContact CE2-CB 4.42Å; F215-L272 HydrophobicContact CG-CD1 4.48Å; F215-L272 VanDerWaalsContact CZ-CA 3.44Å; F215-L272 HydrophobicContact CZ-CB 3.63Å; F215-L272 HydrophobicContact CZ-CD1 4.13Å; F215-L272 HydrophobicContact CZ-CG 4.48Å; F215-Y275 HydrophobicContact CB-CD1 4.03Å; F215-Y275 HydrophobicContact CB-CD2 4.27Å; F215-Y275 HydrophobicContact CB-CE1 3.81Å; F215-Y275 HydrophobicContact CB-CE2 4.07Å; F215-Y275 HydrophobicContact CB-CG 4.26Å; F215-Y275 AromaticContact CD2-CD1 3.89Å; F215-Y275 HydrophobicContact CD2-CD1 3.89Å; F215-Y275 AromaticContact CD2-CD2 3.75Å; F215-Y275 HydrophobicContact CD2-CD2 3.75Å; F215-Y275 HydrophobicContact CD2-CE2 4.4Å; F215-Y275 AromaticContact CD2-CG 3.47Å; F215-Y275 HydrophobicContact CD2-CG 3.47Å; F215-Y275 VanDerWaalsContact CD2-CG 3.47Å; F215-Y275 HydrophobicContact CE2-CG 4.18Å; F215-Y275 HydrophobicContact CG-CD1 4.05Å; F215-Y275 HydrophobicContact CG-CD2 4.41Å; F215-Y275 HydrophobicContact CG-CE1 4.34Å; F215-Y275 HydrophobicContact CG-CG 4.09Å |
| 216 | L | 68.9 | Low | 65.9 | Low | 103 Ų | 103 | 80.8 Ų | 80.8 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | -179.7 | -71.5 | 171.4 | 0 | 0 | 0 | 112.4 | F212 L220 | F212-L216 HydrophobicContact CB-CD1 4.03Å; F212-L216 HydrophobicContact CB-CG 4.45Å; F212-L216 VanDerWaalsContact O-CB 3.29Å; F212-L216 WeakPolarHBondContact O-CB 3.49Å; F212-L216 WeakPolarHBondContact O-CG 3.08Å; F212-L216 PolarHBondContact O-N 3.17Å; L216-L220 WeakPolarHBondContact O-CB 3.47Å; L216-L220 PolarHBondContact O-N 3.18Å |
| 217 | T | 65.9 | Low | 66.1 | Low | 93 Ų | 93 | 85.2 Ų | 85.2 | 57% | 0.571 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -71.6 | -38.8 | 174.8 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | A213 P214 F215 A221 | A213-T217 WeakPolarHBondContact O-CG2 3.19Å; A213-T217 PolarHBondContact O-N 3.17Å; A213-T217 PolarHBondContact O-OG1 3.4Å; P214-T217 PolarHBondContact O-N 2.82Å; P214-T217 PolarHBondContact O-OG1 3.45Å; P214-T217 VanDerWaalsContact O-OG1 3.07Å; F215-T217 VanDerWaalsContact C-N 3.35Å; F215-T217 PolarHBondContact O-N 3.01Å; T217-A221 WeakPolarHBondContact O-CB 3.44Å; T217-A221 PolarHBondContact O-N 3.13Å |
| 218 | L | 70.5 | Confident | 66 | Low | 53 Ų | 53 | 86 Ų | 86 | 28% | 0.277 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 171 | 179.9 | 65.7 | 0 | 0 | 0 | 110.9 | L197 P214 F215 A221 Y222 | L197-L218 HydrophobicContact CB-CD2 4.29Å; L197-L218 HydrophobicContact CD2-CB 3.9Å; L197-L218 HydrophobicContact CD2-CD2 3.72Å; L197-L218 HydrophobicContact CD2-CG 4.43Å; P214-L218 PolarHBondContact O-N 3Å; F215-L218 PolarHBondContact O-N 3.22Å; L218-A221 PolarHBondContact O-N 2.84Å; L218-Y222 WeakPolarHBondContact O-CB 3.17Å; L218-Y222 PolarHBondContact O-N 3.37Å |
| 219 | Q | 77.3 | Confident | 65.8 | Low | 12 Ų | 12 | 82.2 Ų | 82.2 | 6% | 0.056 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | -177.9 | -154.1 | 67.2 | 9 | 0 | 0 | 112.2 | F215 Y222 M223 V268 D271 | F215-Q219 HydrophobicContact CE1-CB 4.28Å; F215-Q219 HydrophobicContact CE1-CG 4.23Å; F215-Q219 HydrophobicContact CZ-CB 4.45Å; F215-Q219 HydrophobicContact CZ-CG 4.18Å; F215-Q219 VanDerWaalsContact O-CB 3.27Å; F215-Q219 WeakPolarHBondContact O-CB 3.12Å; F215-Q219 PolarHBondContact O-N 3.02Å; Q219-Y222 PolarHBondContact O-N 3.2Å; Q219-M223 PolarHBondContact O-N 3.06Å; Q219-V268 HydrophobicContact CG-CG1 3.9Å; Q219-V268 HydrophobicContact CG-CG2 4.43Å; Q219-D271 PolarHBondContact NE2-OD2 3.34Å |
| 220 | L | 69.1 | Low | 65.3 | Low | 128 Ų | 128 | 81.9 Ų | 81.9 | 67% | 0.67 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.3 | -39.7 | 175.6 | -177.8 | 62.3 | 0 | 0 | 0 | 111.7 | L216 Y222 M223 G224 | L216-L220 WeakPolarHBondContact O-CB 3.47Å; L216-L220 PolarHBondContact O-N 3.18Å; L220-Y222 VanDerWaalsContact C-N 3.32Å; L220-M223 PolarHBondContact O-N 3.49Å; L220-G224 PolarHBondContact O-N 2.77Å |
| 221 | A | 67.9 | Low | 65.1 | Low | 51 Ų | 51 | 80.4 Ų | 80.4 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T217 L218 G224 L225 | T217-A221 WeakPolarHBondContact O-CB 3.44Å; T217-A221 PolarHBondContact O-N 3.13Å; L218-A221 PolarHBondContact O-N 2.84Å; A221-G224 PolarHBondContact O-N 3.04Å; A221-L225 WeakPolarHBondContact O-CG 3.39Å; A221-L225 PolarHBondContact O-N 3.19Å |
| 222 | Y | 73.9 | Confident | 64.3 | Low | 36 Ų | 36 | 79.6 Ų | 79.6 | 14% | 0.141 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 177.7 | -139.3 | -79.8 | 0 | 0 | 0 | 112.5 | F186 F189 R190 L218 Q219 L220 G224 L225 Y226 | F186-Y222 PolarHBondContact O-OH 3.4Å; F186-Y222 VanDerWaalsContact O-OH 3.09Å; F189-Y222 AromaticContact CD1-CE2 3.87Å; F189-Y222 HydrophobicContact CD1-CE2 3.87Å; F189-Y222 HydrophobicContact CE1-CE2 4.12Å; R190-Y222 HydrophobicContact CB-CD2 4.32Å; R190-Y222 HydrophobicContact CB-CE1 4.07Å; R190-Y222 HydrophobicContact CB-CE2 3.87Å; R190-Y222 HydrophobicContact CG-CD1 4.05Å; R190-Y222 HydrophobicContact CG-CD2 3.9Å; R190-Y222 HydrophobicContact CG-CE1 4.12Å; R190-Y222 HydrophobicContact CG-CE2 3.98Å; R190-Y222 HydrophobicContact CG-CG 3.94Å; L218-Y222 WeakPolarHBondContact O-CB 3.17Å; L218-Y222 PolarHBondContact O-N 3.37Å; Q219-Y222 PolarHBondContact O-N 3.2Å; L220-Y222 VanDerWaalsContact C-N 3.32Å; Y222-G224 VanDerWaalsContact C-N 3.34Å; Y222-L225 PolarHBondContact O-N 2.87Å; Y222-Y226 WeakPolarHBondContact O-CB 3.39Å; Y222-Y226 PolarHBondContact O-N 3.4Å |
| 223 | M | 67.6 | Low | 63.1 | Low | 112 Ų | 112 | 83.9 Ų | 83.9 | 55% | 0.552 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.7 | -35.6 | 170.7 | -76.8 | -158.4 | 70.6 | 0 | 0 | 112.6 | Q219 L220 Y226 K227 V268 | Q219-M223 PolarHBondContact O-N 3.06Å; L220-M223 PolarHBondContact O-N 3.49Å; M223-Y226 PolarHBondContact O-N 3.02Å; M223-K227 PolarHBondContact O-N 2.89Å; M223-V268 HydrophobicContact SD-CG2 4.48Å |
| 224 | G | 65.3 | Low | 62.6 | Low | 29 Ų | 29 | 85.4 Ų | 85.4 | 30% | 0.299 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.2 | -50.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L220 A221 Y222 Y226 K227 Y228 | L220-G224 PolarHBondContact O-N 2.77Å; A221-G224 PolarHBondContact O-N 3.04Å; Y222-G224 VanDerWaalsContact C-N 3.34Å; G224-Y226 VanDerWaalsContact C-N 3.31Å; G224-Y226 PolarHBondContact O-N 3.24Å; G224-K227 WeakPolarHBondContact O-CA 3.49Å; G224-K227 WeakPolarHBondContact O-CB 3.34Å; G224-K227 PolarHBondContact O-N 3.42Å; G224-Y228 WeakPolarHBondContact O-CD2 3.27Å; G224-Y228 PolarHBondContact O-N 3.4Å |
| 225 | L | 63.3 | Low | 61.8 | Low | 106 Ų | 106 | 90.3 Ų | 90.3 | 56% | 0.555 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.5 | -33.8 | 176.5 | -68.4 | 170.9 | 0 | 0 | 0 | 112.4 | A221 Y222 K227 Y228 F229 | A221-L225 WeakPolarHBondContact O-CG 3.39Å; A221-L225 PolarHBondContact O-N 3.19Å; Y222-L225 PolarHBondContact O-N 2.87Å; L225-K227 PolarHBondContact O-N 3.04Å; L225-Y228 PolarHBondContact O-N 3.03Å; L225-F229 PolarHBondContact O-N 2.95Å |
| 226 | Y | 63 | Low | 61 | Low | 56 Ų | 56 | 93.6 Ų | 93.6 | 22% | 0.22 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.1 | -20.5 | 170.5 | -164 | -81 | 0 | 0 | 0 | 112.8 | F183 Y222 M223 G224 K231 K234 | F183-Y226 HydrophobicContact CE1-CE2 4.42Å; Y222-Y226 WeakPolarHBondContact O-CB 3.39Å; Y222-Y226 PolarHBondContact O-N 3.4Å; M223-Y226 PolarHBondContact O-N 3.02Å; G224-Y226 VanDerWaalsContact C-N 3.31Å; G224-Y226 PolarHBondContact O-N 3.24Å; Y226-K231 HydrophobicContact CD2-CD 4.15Å; Y226-K231 HydrophobicContact CE2-CB 4.32Å; Y226-K231 HydrophobicContact CE2-CD 3.84Å; Y226-K234 PolarHBondContact OH-NZ 3.13Å |
| 227 | K | 59.7 | Low | 60.5 | Low | 179 Ų | 179 | 97.5 Ų | 97.5 | 78% | 0.778 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -81.4 | -23.6 | 171.8 | -162.8 | 179.2 | 179.5 | -179.6 | 0 | 113.1 | M223 G224 L225 | M223-K227 PolarHBondContact O-N 2.89Å; G224-K227 WeakPolarHBondContact O-CA 3.49Å; G224-K227 WeakPolarHBondContact O-CB 3.34Å; G224-K227 PolarHBondContact O-N 3.42Å; L225-K227 PolarHBondContact O-N 3.04Å |
| 228 | Y | 52.8 | Low | 60.3 | Low | 192 Ų | 192 | 96.5 Ų | 96.5 | 75% | 0.753 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -89.7 | -23.4 | 177.1 | -69.4 | -74.9 | 0 | 0 | 0 | 113.6 | G224 L225 P230 | G224-Y228 WeakPolarHBondContact O-CD2 3.27Å; G224-Y228 PolarHBondContact O-N 3.4Å; L225-Y228 PolarHBondContact O-N 3.03Å; Y228-P230 VanDerWaalsContact C-CD 3.48Å; Y228-P230 WeakPolarHBondContact O-CD 3.41Å |
| 229 | F | 49.6 | Very low | 60.4 | Low | 128 Ų | 128 | 96.7 Ų | 96.7 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -97.7 | 88.7 | 162 | -84.6 | -94.4 | 0 | 0 | 0 | 109.6 | L225 K231 | L225-F229 PolarHBondContact O-N 2.95Å; F229-K231 HydrophobicContact CB-CD 4.37Å; F229-K231 HydrophobicContact CB-CG 4.46Å; F229-K231 VanDerWaalsContact O-CB 3.29Å; F229-K231 WeakPolarHBondContact O-CB 3.18Å; F229-K231 PolarHBondContact O-N 3.03Å |
| 230 | P | 46.5 | Very low | 60.2 | Low | 124 Ų | 124 | 102.3 Ų | 102.3 | 81% | 0.805 | 52% | 0.523 | S | S | * | . | trans | -60.8 | 103.8 | 169.8 | 26.2 | -33.6 | 0 | 0 | 0 | 108.9 | Y228 | Y228-P230 VanDerWaalsContact C-CD 3.48Å; Y228-P230 WeakPolarHBondContact O-CD 3.41Å | ||
| 231 | K | 55.7 | Low | 60.2 | Low | 41 Ų | 41 | 101.9 Ų | 101.9 | 18% | 0.178 | 52% | 0.52 | C | S | . | . | trans | -106.2 | 107.2 | -151.3 | -134.7 | 166.9 | -178.3 | 167.9 | 0 | 113.6 | F183 F186 Y226 F229 | F183-K231 HydrophobicContact CD1-CD 4.35Å; F183-K231 HydrophobicContact CE1-CB 4.03Å; F183-K231 HydrophobicContact CE1-CD 3.7Å; F183-K231 HydrophobicContact CE1-CG 3.73Å; F183-K231 HydrophobicContact CZ-CB 3.97Å; F183-K231 HydrophobicContact CZ-CD 4.28Å; F183-K231 HydrophobicContact CZ-CG 3.78Å; F186-K231 VanDerWaalsContact CD1-NZ 3.28Å; F186-K231 VanDerWaalsContact CZ-NZ 3.32Å; Y226-K231 HydrophobicContact CD2-CD 4.15Å; Y226-K231 HydrophobicContact CE2-CB 4.32Å; Y226-K231 HydrophobicContact CE2-CD 3.84Å; F229-K231 HydrophobicContact CB-CD 4.37Å; F229-K231 HydrophobicContact CB-CG 4.46Å; F229-K231 VanDerWaalsContact O-CB 3.29Å; F229-K231 WeakPolarHBondContact O-CB 3.18Å; F229-K231 PolarHBondContact O-N 3.03Å | ||
| 232 | G | 54.6 | Low | 60.3 | Low | 44 Ų | 44 | 100.2 Ų | 100.2 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | trans | 59 | 127.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117 | K234 | G232-K234 VanDerWaalsContact C-N 3.28Å; G232-K234 PolarHBondContact O-N 3.43Å | ||
| 233 | E | 45 | Very low | 60.3 | Low | 193 Ų | 193 | 99.3 Ų | 99.3 | 90% | 0.902 | 50% | 0.504 | S | S | * | . | trans | -66.3 | 82.2 | 173.8 | -66.7 | -179.6 | -163 | 0 | 0 | 111.7 | K235 | E233-K235 PolarHBondContact O-N 3.11Š| ||
| 234 | K | 54.6 | Low | 60.7 | Low | 78 Ų | 78 | 96.2 Ų | 96.2 | 34% | 0.339 | 50% | 0.497 | S | S | . | . | trans | -67.1 | 99.2 | 173.7 | -62.1 | 174.5 | -157.9 | 158.2 | 0 | 108.7 | F183 Y226 G232 I236 E260 | F183-K234 HydrophobicContact CE2-CG 4.43Å; F183-K234 HydrophobicContact CZ-CG 4.36Å; Y226-K234 PolarHBondContact OH-NZ 3.13Å; G232-K234 VanDerWaalsContact C-N 3.28Å; G232-K234 PolarHBondContact O-N 3.43Å; K234-I236 WeakPolarHBondContact O-CD1 3.4Å; K234-I236 PolarHBondContact O-N 3.49Å; K234-E260 IonicContact NZ-OE1 3.9Å; K234-E260 PolarHBondContact NZ-OE1 3.35Å | ||
| 235 | K | 52.3 | Low | 61.2 | Low | 135 Ų | 135 | 97.3 Ų | 97.3 | 59% | 0.587 | 50% | 0.495 | S | S | * | . | trans | -53.8 | 105.3 | 167 | -70.6 | 172.7 | -174 | 149 | 0 | 108.8 | D176 E233 K237 | D176-K235 WeakPolarHBondContact OD1-CE 3.49Å; D176-K235 IonicContact OD1-NZ 3.24Å; D176-K235 PolarHBondContact OD1-NZ 3.35Å; D176-K235 WeakPolarHBondContact OD2-CD 3.4Å; D176-K235 IonicContact OD2-NZ 2.78Å; D176-K235 PolarHBondContact OD2-NZ 3.12Å; E233-K235 PolarHBondContact O-N 3.11Å; K235-K237 PolarHBondContact O-N 2.72Å | ||
| 236 | I | 58 | Low | 61.7 | Low | 72 Ų | 72 | 95.1 Ų | 95.1 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | trans | -64.5 | 110 | 178.9 | -61.4 | 97.1 | 0 | 0 | 0 | 107.4 | K234 T238 N256 M259 | K234-I236 WeakPolarHBondContact O-CD1 3.4Å; K234-I236 PolarHBondContact O-N 3.49Å; I236-T238 PolarHBondContact O-N 3.39Å; I236-N256 WeakPolarHBondContact CD1-OD1 3.29Å; I236-N256 WeakPolarHBondContact CG1-OD1 3.31Å; I236-M259 HydrophobicContact CG2-SD 3.86Å | ||
| 237 | K | 57.7 | Low | 62.3 | Low | 186 Ų | 186 | 96.9 Ų | 96.9 | 81% | 0.809 | 50% | 0.497 | S | S | * | . | trans | -60.6 | 110.5 | 176.5 | -65.9 | -179.2 | -179.7 | 178.2 | 0 | 107.7 | K235 T239 | K235-K237 PolarHBondContact O-N 2.72Å; K237-T239 WeakPolarHBondContact O-CG2 3.41Å; K237-T239 PolarHBondContact O-N 3.34Å | ||
| 238 | T | 62.1 | Low | 63.2 | Low | 72 Ų | 72 | 92.4 Ų | 92.4 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | trans | -64 | 92.7 | -175.5 | -58.9 | 0 | 0 | 0 | 0 | 110.3 | I168 I236 | I168-T238 HydrophobicContact CD1-CG2 4.22Å; I236-T238 PolarHBondContact O-N 3.39Å | ||
| 239 | T | 71.5 | Confident | 64.3 | Low | 56 Ų | 56 | 86.3 Ų | 86.3 | 34% | 0.344 | 48% | 0.484 | S | S | . | . | trans | -75.1 | 160.6 | -180 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | K237 L241 T242 A243 M259 | K237-T239 WeakPolarHBondContact O-CG2 3.41Å; K237-T239 PolarHBondContact O-N 3.34Å; T239-L241 PolarHBondContact O-N 3.44Å; T239-L241 PolarHBondContact OG1-N 3.39Å; T239-T242 PolarHBondContact N-OG1 3.09Å; T239-T242 WeakPolarHBondContact O-CB 3.48Å; T239-T242 PolarHBondContact O-N 3.48Å; T239-T242 VanDerWaalsContact O-N 3.11Å; T239-T242 PolarHBondContact OG1-N 3.19Å; T239-T242 PolarHBondContact OG1-OG1 3.47Å; T239-A243 PolarHBondContact O-N 2.76Å; T239-M259 HydrophobicContact CG2-CE 4.23Å | ||
| 240 | V | 73 | Confident | 65.8 | Low | 131 Ų | 131 | 83.3 Ų | 83.3 | 79% | 0.794 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.9 | -37.1 | 170.8 | -177.8 | 0 | 0 | 0 | 0 | 111 | A243 A244 | V240-A243 PolarHBondContact O-N 2.86Å; V240-A244 PolarHBondContact O-N 3.48Å |
| 241 | L | 69.4 | Low | 67.4 | Low | 118 Ų | 118 | 80.6 Ų | 80.6 | 62% | 0.618 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 175.2 | -176.7 | 67.9 | 0 | 0 | 0 | 111.8 | T239 A243 A244 L245 | T239-L241 PolarHBondContact O-N 3.44Å; T239-L241 PolarHBondContact OG1-N 3.39Å; L241-A243 VanDerWaalsContact C-N 3.29Å; L241-A243 PolarHBondContact O-N 2.86Å; L241-A244 PolarHBondContact O-N 3.21Å; L241-L245 HydrophobicContact CD1-CD1 4.39Å; L241-L245 HydrophobicContact CD1-CG 4.38Å; L241-L245 HydrophobicContact CG-CD1 3.97Å; L241-L245 HydrophobicContact CG-CG 4.39Å; L241-L245 VanDerWaalsContact O-CG 3.3Å; L241-L245 WeakPolarHBondContact O-CG 3.41Å; L241-L245 PolarHBondContact O-N 3.23Å |
| 242 | T | 71.6 | Confident | 68.1 | Low | 17 Ų | 17 | 81 Ų | 81 | 10% | 0.104 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 173.3 | -50.4 | 0 | 0 | 0 | 0 | 110.9 | T239 L246 I255 | T239-T242 PolarHBondContact N-OG1 3.09Å; T239-T242 WeakPolarHBondContact O-CB 3.48Å; T239-T242 PolarHBondContact O-N 3.48Å; T239-T242 VanDerWaalsContact O-N 3.11Å; T239-T242 PolarHBondContact OG1-N 3.19Å; T239-T242 PolarHBondContact OG1-OG1 3.47Å; T242-L246 HydrophobicContact CG2-CD1 4.42Å; T242-L246 WeakPolarHBondContact O-CD1 3.29Å; T242-L246 VanDerWaalsContact O-CG 3.27Å; T242-L246 WeakPolarHBondContact O-CG 3.31Å; T242-L246 PolarHBondContact O-N 3.27Å; T242-I255 HydrophobicContact CG2-CG2 4.06Å |
| 243 | A | 72.4 | Confident | 69.1 | Low | 16 Ų | 16 | 85.3 Ų | 85.3 | 13% | 0.132 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T239 V240 L241 L247 | T239-A243 PolarHBondContact O-N 2.76Å; V240-A243 PolarHBondContact O-N 2.86Å; L241-A243 VanDerWaalsContact C-N 3.29Å; L241-A243 PolarHBondContact O-N 2.86Å; A243-L247 WeakPolarHBondContact O-CG 3.25Å; A243-L247 PolarHBondContact O-N 3.33Å |
| 244 | A | 76.4 | Confident | 70.7 | Confident | 47 Ų | 47 | 79.9 Ų | 79.9 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V240 L241 L246 L247 S248 | V240-A244 PolarHBondContact O-N 3.48Å; L241-A244 PolarHBondContact O-N 3.21Å; A244-L246 VanDerWaalsContact C-N 3.34Å; A244-L246 PolarHBondContact O-N 2.72Å; A244-L247 CarbonylContact O-C 3.52Å; A244-L247 WeakPolarHBondContact O-CA 3.28Å; A244-L247 WeakPolarHBondContact O-CB 3.3Å; A244-L247 PolarHBondContact O-N 3.45Å; A244-S248 PolarHBondContact O-N 2.83Å; A244-S248 PolarHBondContact O-OG 3.18Å; A244-S248 VanDerWaalsContact O-OG 3.13Å |
| 245 | L | 75.3 | Confident | 71.9 | Confident | 52 Ų | 52 | 76.5 Ų | 76.5 | 27% | 0.272 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 179.2 | -67.9 | 166.9 | 0 | 0 | 0 | 112.4 | L241 L247 S248 I250 I255 | L241-L245 HydrophobicContact CD1-CD1 4.39Å; L241-L245 HydrophobicContact CD1-CG 4.38Å; L241-L245 HydrophobicContact CG-CD1 3.97Å; L241-L245 HydrophobicContact CG-CG 4.39Å; L241-L245 VanDerWaalsContact O-CG 3.3Å; L241-L245 WeakPolarHBondContact O-CG 3.41Å; L241-L245 PolarHBondContact O-N 3.23Å; L245-L247 VanDerWaalsContact C-N 3.33Å; L245-S248 WeakPolarHBondContact O-CB 3.45Å; L245-S248 PolarHBondContact O-N 2.88Å; L245-I250 HydrophobicContact CB-CD1 4.49Å; L245-I250 HydrophobicContact CD2-CD1 3.87Å; L245-I250 WeakPolarHBondContact O-CB 3.29Å; L245-I250 PolarHBondContact O-N 2.86Å; L245-I255 HydrophobicContact CB-CD1 3.53Å; L245-I255 HydrophobicContact CB-CG1 3.87Å; L245-I255 HydrophobicContact CB-CG2 4.47Å; L245-I255 HydrophobicContact CD1-CG1 4.35Å; L245-I255 HydrophobicContact CD1-CG2 3.9Å |
| 246 | L | 74.4 | Confident | 72.9 | Confident | 60 Ų | 60 | 73.3 Ų | 73.3 | 31% | 0.314 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 171.2 | -71.4 | 166.3 | 0 | 0 | 0 | 111.8 | T242 A244 S248 G249 A252 I255 | T242-L246 HydrophobicContact CG2-CD1 4.42Å; T242-L246 WeakPolarHBondContact O-CD1 3.29Å; T242-L246 VanDerWaalsContact O-CG 3.27Å; T242-L246 WeakPolarHBondContact O-CG 3.31Å; T242-L246 PolarHBondContact O-N 3.27Å; A244-L246 VanDerWaalsContact C-N 3.34Å; A244-L246 PolarHBondContact O-N 2.72Å; L246-S248 VanDerWaalsContact C-N 3.29Å; L246-G249 PolarHBondContact O-N 3Å; L246-G249 VanDerWaalsContact O-N 3.09Å; L246-A252 HydrophobicContact CD2-CB 3.83Å; L246-I255 HydrophobicContact CD2-CD1 3.77Å; L246-I255 HydrophobicContact CG-CD1 3.77Å |
| 247 | L | 75.8 | Confident | 74 | Confident | 93 Ų | 93 | 79.2 Ų | 79.2 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -71.9 | -22.9 | 174.5 | -67.5 | 172.8 | 0 | 0 | 0 | 112.7 | F157 M161 A243 A244 L245 G249 | F157-L247 HydrophobicContact CE2-CD2 3.7Å; F157-L247 HydrophobicContact CZ-CD1 4.31Å; F157-L247 HydrophobicContact CZ-CD2 3.59Å; M161-L247 HydrophobicContact CE-CD1 4.18Å; M161-L247 HydrophobicContact SD-CD1 4.49Å; A243-L247 WeakPolarHBondContact O-CG 3.25Å; A243-L247 PolarHBondContact O-N 3.33Å; A244-L247 CarbonylContact O-C 3.52Å; A244-L247 WeakPolarHBondContact O-CA 3.28Å; A244-L247 WeakPolarHBondContact O-CB 3.3Å; A244-L247 PolarHBondContact O-N 3.45Å; L245-L247 VanDerWaalsContact C-N 3.33Å; L247-G249 PolarHBondContact O-N 3.35Å |
| 248 | S | 77.9 | Confident | 74.9 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 60% | 0.601 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 6.3 | 166.4 | -49.7 | 0 | 0 | 0 | 0 | 113.7 | A244 L245 L246 I250 | A244-S248 PolarHBondContact O-N 2.83Å; A244-S248 PolarHBondContact O-OG 3.18Å; A244-S248 VanDerWaalsContact O-OG 3.13Å; L245-S248 WeakPolarHBondContact O-CB 3.45Å; L245-S248 PolarHBondContact O-N 2.88Å; L246-S248 VanDerWaalsContact C-N 3.29Å; S248-I250 VanDerWaalsContact C-N 3.29Å; S248-I250 PolarHBondContact O-N 2.99Å |
| 249 | G | 77.2 | Confident | 75.7 | Confident | 64 Ų | 64 | 72.3 Ų | 72.3 | 66% | 0.66 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 10.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L246 L247 | L246-G249 PolarHBondContact O-N 3Å; L246-G249 VanDerWaalsContact O-N 3.09Å; L247-G249 PolarHBondContact O-N 3.35Å |
| 250 | I | 80.1 | Confident | 75.9 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 33% | 0.328 | 42% | 0.421 | S | S | . | . | trans | -79.8 | 130.3 | -179.3 | -56.3 | 173.5 | 0 | 0 | 0 | 109.1 | L245 S248 V254 I255 | L245-I250 HydrophobicContact CB-CD1 4.49Å; L245-I250 HydrophobicContact CD2-CD1 3.87Å; L245-I250 WeakPolarHBondContact O-CB 3.29Å; L245-I250 PolarHBondContact O-N 2.86Å; S248-I250 VanDerWaalsContact C-N 3.29Å; S248-I250 PolarHBondContact O-N 2.99Å; I250-V254 HydrophobicContact CG2-CB 4.21Å; I250-V254 HydrophobicContact CG2-CG1 4.24Å; I250-I255 HydrophobicContact CB-CD1 4.15Å; I250-I255 HydrophobicContact CB-CG1 4.22Å; I250-I255 HydrophobicContact CG2-CD1 4.23Å; I250-I255 HydrophobicContact CG2-CG1 3.78Å; I250-I255 WeakPolarHBondContact O-CD1 3.18Å | ||
| 251 | P | 79.6 | Confident | 76.2 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 44% | 0.442 | 41% | 0.408 | S | S | . | . | trans | -57 | 141 | 179.5 | -14.4 | 18.1 | 0 | 0 | 0 | 113.1 | E253 V254 I255 | P251-E253 WeakPolarHBondContact CB-OE2 3.34Å; P251-E253 PolarHBondContact O-N 2.83Å; P251-V254 HydrophobicContact CB-CG2 4.16Å; P251-V254 HydrophobicContact CG-CG2 4.07Å; P251-V254 PolarHBondContact O-N 3.08Å; P251-I255 PolarHBondContact O-N 2.86Å | ||
| 252 | A | 71.4 | Confident | 76.8 | Confident | 49 Ų | 49 | 73.8 Ų | 73.8 | 41% | 0.405 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58 | -33.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L246 V254 I255 N256 | L246-A252 HydrophobicContact CD2-CB 3.83Å; A252-V254 VanDerWaalsContact C-N 3.33Å; A252-V254 PolarHBondContact O-N 2.84Å; A252-I255 PolarHBondContact O-N 3Å; A252-N256 VanDerWaalsContact O-CB 3.23Å; A252-N256 WeakPolarHBondContact O-CB 3.4Å; A252-N256 PolarHBondContact O-N 2.89Å |
| 253 | E | 75.3 | Confident | 77.1 | Confident | 134 Ų | 134 | 75.6 Ų | 75.6 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 178.9 | -56.3 | 68.9 | -149.7 | 0 | 0 | 111 | P251 R257 | P251-E253 WeakPolarHBondContact CB-OE2 3.34Å; P251-E253 PolarHBondContact O-N 2.83Å; E253-R257 WeakPolarHBondContact O-CB 3.23Å; E253-R257 PolarHBondContact O-N 2.94Å |
| 254 | V | 78.8 | Confident | 77.3 | Confident | 80 Ų | 80 | 76.5 Ų | 76.5 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -74.7 | -41.2 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | I250 P251 A252 S258 | I250-V254 HydrophobicContact CG2-CB 4.21Å; I250-V254 HydrophobicContact CG2-CG1 4.24Å; P251-V254 HydrophobicContact CB-CG2 4.16Å; P251-V254 HydrophobicContact CG-CG2 4.07Å; P251-V254 PolarHBondContact O-N 3.08Å; A252-V254 VanDerWaalsContact C-N 3.33Å; A252-V254 PolarHBondContact O-N 2.84Å; V254-S258 WeakPolarHBondContact O-CB 3.48Å; V254-S258 PolarHBondContact O-N 3.46Å; V254-S258 PolarHBondContact O-OG 3.3Å |
| 255 | I | 79.1 | Confident | 77.5 | Confident | 7 Ų | 7 | 80.3 Ų | 80.3 | 4% | 0.036 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 177.8 | -58.9 | 161.1 | 0 | 0 | 0 | 110.9 | T242 L245 L246 I250 P251 A252 S258 M259 | T242-I255 HydrophobicContact CG2-CG2 4.06Å; L245-I255 HydrophobicContact CB-CD1 3.53Å; L245-I255 HydrophobicContact CB-CG1 3.87Å; L245-I255 HydrophobicContact CB-CG2 4.47Å; L245-I255 HydrophobicContact CD1-CG1 4.35Å; L245-I255 HydrophobicContact CD1-CG2 3.9Å; L246-I255 HydrophobicContact CD2-CD1 3.77Å; L246-I255 HydrophobicContact CG-CD1 3.77Å; I250-I255 HydrophobicContact CB-CD1 4.15Å; I250-I255 HydrophobicContact CB-CG1 4.22Å; I250-I255 HydrophobicContact CG2-CD1 4.23Å; I250-I255 HydrophobicContact CG2-CG1 3.78Å; I250-I255 WeakPolarHBondContact O-CD1 3.18Å; P251-I255 PolarHBondContact O-N 2.86Å; A252-I255 PolarHBondContact O-N 3Å; I255-S258 PolarHBondContact O-OG 2.83Å; I255-S258 VanDerWaalsContact O-OG 3.05Å; I255-M259 WeakPolarHBondContact O-CB 3.1Å; I255-M259 PolarHBondContact O-N 3.41Å |
| 256 | N | 75.1 | Confident | 77.8 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.6 | -51 | 176.2 | -177.4 | 12.9 | 0 | 0 | 0 | 110.8 | I236 A252 S258 M259 E260 | I236-N256 WeakPolarHBondContact CD1-OD1 3.29Å; I236-N256 WeakPolarHBondContact CG1-OD1 3.31Å; A252-N256 VanDerWaalsContact O-CB 3.23Å; A252-N256 WeakPolarHBondContact O-CB 3.4Å; A252-N256 PolarHBondContact O-N 2.89Å; N256-S258 VanDerWaalsContact C-N 3.32Å; N256-S258 PolarHBondContact O-N 3.45Å; N256-M259 PolarHBondContact O-N 2.76Å; N256-E260 PolarHBondContact O-N 2.93Å |
| 257 | R | 79.8 | Confident | 78.1 | Confident | 196 Ų | 196 | 77.7 Ų | 77.7 | 74% | 0.74 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | 179.9 | -173.5 | 173.7 | -177.4 | 164.5 | 0.2 | 112.8 | E253 T261 | E253-R257 WeakPolarHBondContact O-CB 3.23Å; E253-R257 PolarHBondContact O-N 2.94Å; R257-T261 WeakPolarHBondContact O-CB 3.49Å; R257-T261 PolarHBondContact O-N 3.21Å; R257-T261 PolarHBondContact O-OG1 2.87Å |
| 258 | S | 77.9 | Confident | 78.4 | Confident | 44 Ų | 44 | 75.3 Ų | 75.3 | 31% | 0.308 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.4 | -43.8 | 174.6 | 69.4 | 0 | 0 | 0 | 0 | 111.7 | V254 I255 N256 E260 T261 Y262 | V254-S258 WeakPolarHBondContact O-CB 3.48Å; V254-S258 PolarHBondContact O-N 3.46Å; V254-S258 PolarHBondContact O-OG 3.3Å; I255-S258 PolarHBondContact O-OG 2.83Å; I255-S258 VanDerWaalsContact O-OG 3.05Å; N256-S258 VanDerWaalsContact C-N 3.32Å; N256-S258 PolarHBondContact O-N 3.45Å; S258-E260 PolarHBondContact O-N 3.39Å; S258-T261 PolarHBondContact O-N 3.49Å; S258-Y262 WeakPolarHBondContact O-CD2 3.36Å; S258-Y262 PolarHBondContact O-N 3.48Å |
| 259 | M | 77.9 | Confident | 78.7 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 34% | 0.335 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 175.4 | -175.8 | -179.1 | -74.6 | 0 | 0 | 112.2 | I236 T239 I255 N256 S263 | I236-M259 HydrophobicContact CG2-SD 3.86Å; T239-M259 HydrophobicContact CG2-CE 4.23Å; I255-M259 WeakPolarHBondContact O-CB 3.1Å; I255-M259 PolarHBondContact O-N 3.41Å; N256-M259 PolarHBondContact O-N 2.76Å; M259-S263 VanDerWaalsContact O-CB 3.26Å; M259-S263 WeakPolarHBondContact O-CB 3.34Å; M259-S263 PolarHBondContact O-N 2.9Å |
| 260 | E | 76.4 | Confident | 79.1 | Confident | 84 Ų | 84 | 78.1 Ų | 78.1 | 39% | 0.393 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 174.8 | -179.7 | 161.7 | -131.4 | 0 | 0 | 111.7 | K234 N256 S258 S263 K264 | K234-E260 IonicContact NZ-OE1 3.9Å; K234-E260 PolarHBondContact NZ-OE1 3.35Å; N256-E260 PolarHBondContact O-N 2.93Å; S258-E260 PolarHBondContact O-N 3.39Å; E260-S263 PolarHBondContact O-N 2.94Å; E260-K264 HydrophobicContact CG-CG 4.25Å; E260-K264 WeakPolarHBondContact O-CB 3.47Å; E260-K264 WeakPolarHBondContact O-CG 3.34Å; E260-K264 PolarHBondContact O-N 3.49Å |
| 261 | T | 79.1 | Confident | 79.3 | Confident | 86 Ų | 86 | 75.2 Ų | 75.2 | 53% | 0.528 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 178.5 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | R257 S258 K264 M265 | R257-T261 WeakPolarHBondContact O-CB 3.49Å; R257-T261 PolarHBondContact O-N 3.21Å; R257-T261 PolarHBondContact O-OG1 2.87Å; S258-T261 PolarHBondContact O-N 3.49Å; T261-K264 PolarHBondContact O-N 2.88Å; T261-M265 WeakPolarHBondContact O-CB 3.37Å; T261-M265 PolarHBondContact O-N 2.88Å |
| 262 | Y | 80.9 | Confident | 79.5 | Confident | 166 Ų | 166 | 74.1 Ų | 74.1 | 65% | 0.651 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.3 | -38.1 | 175.6 | -73.6 | -60.7 | 0 | 0 | 0 | 112.4 | S258 K264 M265 G266 | S258-Y262 WeakPolarHBondContact O-CD2 3.36Å; S258-Y262 PolarHBondContact O-N 3.48Å; Y262-K264 PolarHBondContact O-N 3.24Å; Y262-M265 PolarHBondContact O-N 2.79Å; Y262-G266 PolarHBondContact O-N 2.76Å |
| 263 | S | 78.9 | Confident | 80.1 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.1 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | M259 E260 E267 | M259-S263 VanDerWaalsContact O-CB 3.26Å; M259-S263 WeakPolarHBondContact O-CB 3.34Å; M259-S263 PolarHBondContact O-N 2.9Å; E260-S263 PolarHBondContact O-N 2.94Å; S263-E267 WeakPolarHBondContact O-CB 3.39Å; S263-E267 PolarHBondContact O-N 2.86Å |
| 264 | K | 76.8 | Confident | 80.7 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 15% | 0.148 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 175.4 | -74.2 | -70.9 | 137.3 | -163.4 | 0 | 112.4 | E260 T261 Y262 E267 V268 | E260-K264 HydrophobicContact CG-CG 4.25Å; E260-K264 WeakPolarHBondContact O-CB 3.47Å; E260-K264 WeakPolarHBondContact O-CG 3.34Å; E260-K264 PolarHBondContact O-N 3.49Å; T261-K264 PolarHBondContact O-N 2.88Å; Y262-K264 PolarHBondContact O-N 3.24Å; K264-E267 IonicContact NZ-OE1 2.99Å; K264-E267 IonicContact NZ-OE2 2.71Å; K264-E267 PolarHBondContact NZ-OE2 3.26Å; K264-E267 PolarHBondContact O-N 2.71Å; K264-V268 VanDerWaalsContact O-CG2 3.29Å; K264-V268 WeakPolarHBondContact O-CG2 3.49Å; K264-V268 PolarHBondContact O-N 2.74Å |
| 265 | M | 80.5 | Confident | 81 | Confident | 128 Ų | 128 | 66.8 Ų | 66.8 | 63% | 0.631 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 174.6 | -175.9 | -179.3 | 175.6 | 0 | 0 | 111.7 | T261 Y262 V268 F269 | T261-M265 WeakPolarHBondContact O-CB 3.37Å; T261-M265 PolarHBondContact O-N 2.88Å; Y262-M265 PolarHBondContact O-N 2.79Å; M265-V268 PolarHBondContact O-N 3.09Å; M265-F269 WeakPolarHBondContact O-CB 3.49Å; M265-F269 PolarHBondContact O-N 2.82Å |
| 266 | G | 81.3 | Confident | 81.3 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y262 V268 F269 T270 | Y262-G266 PolarHBondContact O-N 2.76Å; G266-V268 VanDerWaalsContact C-N 3.34Å; G266-V268 PolarHBondContact O-N 3.38Å; G266-F269 PolarHBondContact O-N 2.7Å; G266-T270 PolarHBondContact O-N 2.93Å; G266-T270 PolarHBondContact O-OG1 2.85Å; G266-T270 VanDerWaalsContact O-OG1 3.11Å |
| 267 | E | 81.6 | Confident | 81.9 | Confident | 22 Ų | 22 | 74.5 Ų | 74.5 | 10% | 0.103 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -55.3 | -47.9 | 171.7 | -88.9 | -173.4 | -169.2 | 0 | 0 | 112.1 | R187 R190 S263 K264 T270 D271 | R187-E267 IonicContact CZ-OE1 2.95Å; R187-E267 IonicContact NE-OE1 2.99Å; R187-E267 PolarHBondContact NE-OE1 3.35Å; R187-E267 IonicContact NH2-OE1 3.85Å; R187-E267 PolarHBondContact NH2-OE1 2.73Å; R190-E267 IonicContact CZ-OE2 3.77Å; R190-E267 IonicContact NH1-OE2 2.77Å; R190-E267 PolarHBondContact NH1-OE2 3.16Å; R190-E267 PolarHBondContact NH2-O 2.8Å; S263-E267 WeakPolarHBondContact O-CB 3.39Å; S263-E267 PolarHBondContact O-N 2.86Å; K264-E267 IonicContact NZ-OE1 2.99Å; K264-E267 IonicContact NZ-OE2 2.71Å; K264-E267 PolarHBondContact NZ-OE2 3.26Å; K264-E267 PolarHBondContact O-N 2.71Å; E267-T270 PolarHBondContact O-N 3.02Å; E267-D271 VanDerWaalsContact O-CG 3.22Å; E267-D271 PolarHBondContact O-N 3.33Å |
| 268 | V | 81.3 | Confident | 82.2 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 26% | 0.261 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 178.9 | 169.5 | 0 | 0 | 0 | 0 | 112 | Q219 M223 K264 M265 G266 D271 L272 | Q219-V268 HydrophobicContact CG-CG1 3.9Å; Q219-V268 HydrophobicContact CG-CG2 4.43Å; M223-V268 HydrophobicContact SD-CG2 4.48Å; K264-V268 VanDerWaalsContact O-CG2 3.29Å; K264-V268 WeakPolarHBondContact O-CG2 3.49Å; K264-V268 PolarHBondContact O-N 2.74Å; M265-V268 PolarHBondContact O-N 3.09Å; G266-V268 VanDerWaalsContact C-N 3.34Å; G266-V268 PolarHBondContact O-N 3.38Å; V268-D271 PolarHBondContact O-N 3.1Å; V268-L272 PolarHBondContact O-N 3.32Å; V268-L272 VanDerWaalsContact O-N 3.11Å |
| 269 | F | 83.6 | Confident | 82.5 | Confident | 128 Ų | 128 | 65.6 Ų | 65.6 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68.8 | -37.9 | 179.2 | -165.3 | -99.2 | 0 | 0 | 0 | 111.9 | M265 G266 D271 L272 C273 | M265-F269 WeakPolarHBondContact O-CB 3.49Å; M265-F269 PolarHBondContact O-N 2.82Å; G266-F269 PolarHBondContact O-N 2.7Å; F269-D271 PolarHBondContact O-N 2.8Å; F269-L272 HydrophobicContact CD2-CD2 4.47Å; F269-L272 WeakPolarHBondContact O-CB 3.48Å; F269-L272 PolarHBondContact O-N 3.41Å; F269-C273 VanDerWaalsContact CE1-SG 3.51Å; F269-C273 PolarHBondContact O-N 2.95Å; F269-C273 PolarHBondContact O-SG 3.25Å; F269-C273 VanDerWaalsContact O-SG 3.36Å |
| 270 | T | 86 | Confident | 82.8 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 172.6 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | G266 E267 L272 C273 V274 | G266-T270 PolarHBondContact O-N 2.93Å; G266-T270 PolarHBondContact O-OG1 2.85Å; G266-T270 VanDerWaalsContact O-OG1 3.11Å; E267-T270 PolarHBondContact O-N 3.02Å; T270-L272 VanDerWaalsContact C-N 3.31Å; T270-L272 PolarHBondContact O-N 3.37Å; T270-C273 PolarHBondContact O-N 2.82Å; T270-V274 PolarHBondContact O-N 3.34Å |
| 271 | D | 84.3 | Confident | 83.3 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.011 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 176.4 | -51.5 | -45.4 | 0 | 0 | 0 | 111.4 | R190 F215 Q219 E267 V268 F269 V274 Y275 | R190-D271 WeakPolarHBondContact CD-OD2 3.33Å; R190-D271 IonicContact CZ-OD1 3.59Å; R190-D271 VanDerWaalsContact CZ-OD1 3.24Å; R190-D271 IonicContact CZ-OD2 3.85Å; R190-D271 IonicContact NE-OD1 3.92Å; R190-D271 PolarHBondContact NE-OD1 3.38Å; R190-D271 IonicContact NE-OD2 2.68Å; R190-D271 PolarHBondContact NE-OD2 3.26Å; R190-D271 IonicContact NH1-OD2 2.94Å; R190-D271 VanDerWaalsContact NH2-CG 3.26Å; R190-D271 IonicContact NH2-OD1 3.04Å; R190-D271 PolarHBondContact NH2-OD1 3.05Å; R190-D271 IonicContact NH2-OD2 2.72Å; R190-D271 PolarHBondContact NH2-OD2 3.19Å; F215-D271 HydrophobicContact CE2-CB 4.17Å; F215-D271 HydrophobicContact CZ-CB 4.17Å; Q219-D271 PolarHBondContact NE2-OD2 3.34Å; E267-D271 VanDerWaalsContact O-CG 3.22Å; E267-D271 PolarHBondContact O-N 3.33Å; V268-D271 PolarHBondContact O-N 3.1Å; F269-D271 PolarHBondContact O-N 2.8Å; D271-V274 PolarHBondContact O-N 3.43Å; D271-Y275 WeakPolarHBondContact O-CB 3.36Å; D271-Y275 PolarHBondContact O-N 2.9Å |
| 272 | L | 83.6 | Confident | 83.4 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 177 | 176 | 61.8 | 0 | 0 | 0 | 111.8 | F212 F215 V268 F269 T270 V274 Y275 F276 | F212-L272 HydrophobicContact CD1-CD1 4.4Å; F212-L272 HydrophobicContact CE1-CD1 4.19Å; F215-L272 HydrophobicContact CD1-CD1 3.9Å; F215-L272 HydrophobicContact CE1-CB 3.86Å; F215-L272 HydrophobicContact CE1-CD1 3.71Å; F215-L272 HydrophobicContact CE1-CG 4.3Å; F215-L272 HydrophobicContact CE2-CB 4.42Å; F215-L272 HydrophobicContact CG-CD1 4.48Å; F215-L272 VanDerWaalsContact CZ-CA 3.44Å; F215-L272 HydrophobicContact CZ-CB 3.63Å; F215-L272 HydrophobicContact CZ-CD1 4.13Å; F215-L272 HydrophobicContact CZ-CG 4.48Å; V268-L272 PolarHBondContact O-N 3.32Å; V268-L272 VanDerWaalsContact O-N 3.11Å; F269-L272 HydrophobicContact CD2-CD2 4.47Å; F269-L272 WeakPolarHBondContact O-CB 3.48Å; F269-L272 PolarHBondContact O-N 3.41Å; T270-L272 VanDerWaalsContact C-N 3.31Å; T270-L272 PolarHBondContact O-N 3.37Å; L272-V274 VanDerWaalsContact C-N 3.34Å; L272-V274 PolarHBondContact O-N 3.23Å; L272-Y275 PolarHBondContact O-N 2.89Å; L272-F276 WeakPolarHBondContact O-CB 3.34Å; L272-F276 PolarHBondContact O-N 3.03Å |
| 273 | C | 85.1 | Confident | 83.5 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.6 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | F269 T270 F276 F277 | F269-C273 VanDerWaalsContact CE1-SG 3.51Å; F269-C273 PolarHBondContact O-N 2.95Å; F269-C273 PolarHBondContact O-SG 3.25Å; F269-C273 VanDerWaalsContact O-SG 3.36Å; T270-C273 PolarHBondContact O-N 2.82Å; C273-F276 PolarHBondContact O-N 3.49Å; C273-F277 WeakPolarHBondContact O-CB 3.43Å; C273-F277 PolarHBondContact O-N 3.28Å |
| 274 | V | 86.3 | Confident | 83.8 | Confident | 45 Ų | 45 | 63 Ų | 63 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.8 | -37.1 | 178.7 | 172.2 | 0 | 0 | 0 | 0 | 112.1 | L191 T270 D271 L272 T278 | L191-V274 HydrophobicContact CD1-CB 3.82Å; L191-V274 HydrophobicContact CD1-CG1 3.85Å; L191-V274 HydrophobicContact CD1-CG2 3.95Å; L191-V274 HydrophobicContact CG-CG1 4.24Å; T270-V274 PolarHBondContact O-N 3.34Å; D271-V274 PolarHBondContact O-N 3.43Å; L272-V274 VanDerWaalsContact C-N 3.34Å; L272-V274 PolarHBondContact O-N 3.23Å; V274-T278 WeakPolarHBondContact O-CB 3.41Å; V274-T278 PolarHBondContact O-N 2.97Å; V274-T278 PolarHBondContact O-OG1 2.87Å |
| 275 | Y | 85.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59 | -48.6 | 170.1 | 174.6 | -95.9 | 0 | 0 | 0 | 111.5 | C194 L197 A198 I211 F215 D271 L272 T278 F279 | C194-Y275 WeakPolarHBondContact O-CD2 3.35Å; L197-Y275 HydrophobicContact CB-CE2 4.46Å; L197-Y275 HydrophobicContact CD2-CE2 4.13Å; L197-Y275 HydrophobicContact CG-CE2 4.18Å; A198-Y275 HydrophobicContact CB-CD2 3.64Å; A198-Y275 HydrophobicContact CB-CE2 3.79Å; A198-Y275 HydrophobicContact CB-CG 4.35Å; I211-Y275 HydrophobicContact CG2-CE1 4.02Å; I211-Y275 WeakPolarHBondContact O-CE1 3.39Å; I211-Y275 PolarHBondContact O-OH 3.24Å; F215-Y275 HydrophobicContact CB-CD1 4.03Å; F215-Y275 HydrophobicContact CB-CD2 4.27Å; F215-Y275 HydrophobicContact CB-CE1 3.81Å; F215-Y275 HydrophobicContact CB-CE2 4.07Å; F215-Y275 HydrophobicContact CB-CG 4.26Å; F215-Y275 AromaticContact CD2-CD1 3.89Å; F215-Y275 HydrophobicContact CD2-CD1 3.89Å; F215-Y275 AromaticContact CD2-CD2 3.75Å; F215-Y275 HydrophobicContact CD2-CD2 3.75Å; F215-Y275 HydrophobicContact CD2-CE2 4.4Å; F215-Y275 AromaticContact CD2-CG 3.47Å; F215-Y275 HydrophobicContact CD2-CG 3.47Å; F215-Y275 VanDerWaalsContact CD2-CG 3.47Å; F215-Y275 HydrophobicContact CE2-CG 4.18Å; F215-Y275 HydrophobicContact CG-CD1 4.05Å; F215-Y275 HydrophobicContact CG-CD2 4.41Å; F215-Y275 HydrophobicContact CG-CE1 4.34Å; F215-Y275 HydrophobicContact CG-CG 4.09Å; D271-Y275 WeakPolarHBondContact O-CB 3.36Å; D271-Y275 PolarHBondContact O-N 2.9Å; L272-Y275 PolarHBondContact O-N 2.89Å; Y275-T278 PolarHBondContact O-N 3.12Å; Y275-T278 PolarHBondContact O-OG1 3.31Å; Y275-F279 VanDerWaalsContact O-CB 3.25Å; Y275-F279 WeakPolarHBondContact O-CB 3.43Å; Y275-F279 PolarHBondContact O-N 2.97Å |
| 276 | F | 84.8 | Confident | 84.1 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.8 | -39 | -178.6 | -167.2 | -117.7 | 0 | 0 | 0 | 112.3 | L272 C273 F279 I280 | L272-F276 WeakPolarHBondContact O-CB 3.34Å; L272-F276 PolarHBondContact O-N 3.03Å; C273-F276 PolarHBondContact O-N 3.49Å; F276-F279 PolarHBondContact O-N 3.27Å; F276-I280 HydrophobicContact CD1-CD1 3.81Å; F276-I280 HydrophobicContact CE1-CD1 3.44Å; F276-I280 VanDerWaalsContact CE1-CD1 3.44Å; F276-I280 HydrophobicContact CE2-CD1 4.26Å; F276-I280 HydrophobicContact CG-CD1 4.37Å; F276-I280 HydrophobicContact CZ-CD1 3.69Å; F276-I280 HydrophobicContact CZ-CG1 4.45Å; F276-I280 WeakPolarHBondContact O-CG1 3.41Å; F276-I280 PolarHBondContact O-N 3.37Å |
| 277 | F | 87.9 | Confident | 83.9 | Confident | 138 Ų | 138 | 64.2 Ų | 64.2 | 61% | 0.605 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.9 | -48.3 | 173.3 | 174.8 | -98 | 0 | 0 | 0 | 112 | C273 I280 F281 | C273-F277 WeakPolarHBondContact O-CB 3.43Å; C273-F277 PolarHBondContact O-N 3.28Å; F277-I280 PolarHBondContact O-N 3Å; F277-F281 VanDerWaalsContact O-CB 3.26Å; F277-F281 WeakPolarHBondContact O-CB 3.39Å; F277-F281 PolarHBondContact O-N 3.24Å |
| 278 | T | 86.4 | Confident | 84 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 177.2 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | A195 A198 V274 Y275 F281 C282 | A195-T278 HydrophobicContact CB-CG2 4.19Å; A198-T278 VanDerWaalsContact CB-OG1 3.3Å; A198-T278 WeakPolarHBondContact CB-OG1 3.42Å; V274-T278 WeakPolarHBondContact O-CB 3.41Å; V274-T278 PolarHBondContact O-N 2.97Å; V274-T278 PolarHBondContact O-OG1 2.87Å; Y275-T278 PolarHBondContact O-N 3.12Å; Y275-T278 PolarHBondContact O-OG1 3.31Å; T278-F281 PolarHBondContact O-N 3.48Å; T278-C282 VanDerWaalsContact O-CB 3.27Å; T278-C282 WeakPolarHBondContact O-CB 3.31Å; T278-C282 PolarHBondContact O-N 3.36Å; T278-C282 PolarHBondContact O-SG 2.83Å |
| 279 | F | 83.4 | Confident | 83.9 | Confident | 24 Ų | 24 | 75.9 Ų | 75.9 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 173.4 | -178.4 | -93.1 | 0 | 0 | 0 | 112.2 | A198 V201 R202 I211 Y275 F276 H283 | A198-F279 HydrophobicContact CB-CB 4.23Å; V201-F279 HydrophobicContact CG1-CE2 4.43Å; R202-F279 HydrophobicContact CB-CD2 4.21Å; R202-F279 HydrophobicContact CB-CE2 4.06Å; I211-F279 HydrophobicContact CD1-CE1 3.79Å; I211-F279 HydrophobicContact CD1-CZ 3.73Å; I211-F279 HydrophobicContact CG1-CE1 4.39Å; I211-F279 HydrophobicContact CG1-CE2 4.43Å; I211-F279 HydrophobicContact CG1-CZ 3.94Å; I211-F279 HydrophobicContact CG2-CD1 4.5Å; I211-F279 HydrophobicContact CG2-CE1 4.41Å; I211-F279 HydrophobicContact CG2-CE2 4.48Å; I211-F279 HydrophobicContact CG2-CZ 4.4Å; Y275-F279 VanDerWaalsContact O-CB 3.25Å; Y275-F279 WeakPolarHBondContact O-CB 3.43Å; Y275-F279 PolarHBondContact O-N 2.97Å; F276-F279 PolarHBondContact O-N 3.27Å; F279-H283 WeakPolarHBondContact O-CB 3.38Å; F279-H283 PolarHBondContact O-N 3.04Å |
| 280 | I | 85.1 | Confident | 83 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 176 | -69.5 | 171.3 | 0 | 0 | 0 | 110.6 | F276 F277 C282 H283 E284 | F276-I280 HydrophobicContact CD1-CD1 3.81Å; F276-I280 HydrophobicContact CE1-CD1 3.44Å; F276-I280 VanDerWaalsContact CE1-CD1 3.44Å; F276-I280 HydrophobicContact CE2-CD1 4.26Å; F276-I280 HydrophobicContact CG-CD1 4.37Å; F276-I280 HydrophobicContact CZ-CD1 3.69Å; F276-I280 HydrophobicContact CZ-CG1 4.45Å; F276-I280 WeakPolarHBondContact O-CG1 3.41Å; F276-I280 PolarHBondContact O-N 3.37Å; F277-I280 PolarHBondContact O-N 3Å; I280-C282 VanDerWaalsContact C-N 3.32Å; I280-C282 PolarHBondContact O-N 3.29Å; I280-H283 CarbonylContact O-C 3.6Å; I280-H283 WeakPolarHBondContact O-CA 3.47Å; I280-H283 VanDerWaalsContact O-CB 3.24Å; I280-H283 WeakPolarHBondContact O-CB 3.31Å; I280-H283 PolarHBondContact O-N 3.02Å; I280-E284 HydrophobicContact CG2-CG 4.18Å; I280-E284 WeakPolarHBondContact O-CG 3.48Å; I280-E284 PolarHBondContact O-N 3.43Å |
| 281 | F | 86.4 | Confident | 81.6 | Confident | 120 Ų | 120 | 73.5 Ų | 73.5 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | -178.5 | -175.5 | -96.2 | 0 | 0 | 0 | 112 | F277 T278 H283 L285 | F277-F281 VanDerWaalsContact O-CB 3.26Å; F277-F281 WeakPolarHBondContact O-CB 3.39Å; F277-F281 PolarHBondContact O-N 3.24Å; T278-F281 PolarHBondContact O-N 3.48Å; F281-H283 VanDerWaalsContact C-N 3.31Å; F281-H283 PolarHBondContact O-N 3.5Å; F281-L285 VanDerWaalsContact O-CB 3.27Å; F281-L285 WeakPolarHBondContact O-CB 3.33Å; F281-L285 PolarHBondContact O-N 3.42Å |
| 282 | C | 82.6 | Confident | 80.1 | Confident | 21 Ų | 21 | 79.5 Ų | 79.5 | 14% | 0.142 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.8 | -25.2 | 172.6 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | L199 T278 I280 L286 | L199-C282 HydrophobicContact CD1-CB 4.49Å; T278-C282 VanDerWaalsContact O-CB 3.27Å; T278-C282 WeakPolarHBondContact O-CB 3.31Å; T278-C282 PolarHBondContact O-N 3.36Å; T278-C282 PolarHBondContact O-SG 2.83Å; I280-C282 VanDerWaalsContact C-N 3.32Å; I280-C282 PolarHBondContact O-N 3.29Å; C282-L286 VanDerWaalsContact O-CB 3.32Å; C282-L286 WeakPolarHBondContact O-CB 3.25Å; C282-L286 WeakPolarHBondContact O-CD1 3.49Å; C282-L286 WeakPolarHBondContact O-CG 3.44Å; C282-L286 PolarHBondContact O-N 3.01Å |
| 283 | H | 82.6 | Confident | 78.3 | Confident | 68 Ų | 68 | 82.5 Ų | 82.5 | 32% | 0.315 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.3 | -53.7 | 172.8 | -166 | -59.2 | 0 | 0 | 0 | 111 | R202 F279 I280 F281 L285 L286 D287 | R202-H283 PolarHBondContact NE-CD2 3.49Å; R202-H283 PolarHBondContact NH2-CD2 2.89Å; R202-H283 PolarHBondContact NH2-CE1 3.22Å; R202-H283 VanDerWaalsContact NH2-CG 3.25Å; R202-H283 PolarHBondContact NH2-ND1 3.04Å; R202-H283 PolarHBondContact NH2-NE2 2.85Å; F279-H283 WeakPolarHBondContact O-CB 3.38Å; F279-H283 PolarHBondContact O-N 3.04Å; I280-H283 CarbonylContact O-C 3.6Å; I280-H283 WeakPolarHBondContact O-CA 3.47Å; I280-H283 VanDerWaalsContact O-CB 3.24Å; I280-H283 WeakPolarHBondContact O-CB 3.31Å; I280-H283 PolarHBondContact O-N 3.02Å; F281-H283 VanDerWaalsContact C-N 3.31Å; F281-H283 PolarHBondContact O-N 3.5Å; H283-L285 VanDerWaalsContact C-N 3.32Å; H283-L285 PolarHBondContact O-N 2.93Å; H283-L286 PolarHBondContact O-N 2.94Å; H283-D287 IonicContact CE1-OD1 3.63Å; H283-D287 IonicContact CE1-OD2 2.88Å; H283-D287 PolarHBondContact CE1-OD2 2.67Å; H283-D287 IonicContact ND1-OD1 3.38Å; H283-D287 IonicContact ND1-OD2 3.89Å; H283-D287 PolarHBondContact ND1-OD2 3.31Å; H283-D287 WeakPolarHBondContact O-CB 3.36Å; H283-D287 PolarHBondContact O-N 3.4Å |
| 284 | E | 84.6 | Confident | 76.4 | Confident | 125 Ų | 125 | 88.8 Ų | 88.8 | 58% | 0.584 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.7 | -41.5 | 177.8 | -61 | -61.7 | 125.1 | 0 | 0 | 111.5 | I280 D287 Y288 | I280-E284 HydrophobicContact CG2-CG 4.18Å; I280-E284 WeakPolarHBondContact O-CG 3.48Å; I280-E284 PolarHBondContact O-N 3.43Å; E284-D287 PolarHBondContact O-N 3.25Å; E284-Y288 VanDerWaalsContact O-CB 3.23Å; E284-Y288 WeakPolarHBondContact O-CB 3.41Å; E284-Y288 PolarHBondContact O-N 3.16Å |
| 285 | L | 84.7 | Confident | 75.9 | Confident | 73 Ų | 73 | 91 Ų | 91 | 38% | 0.382 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 177.9 | -167.2 | 83.3 | 0 | 0 | 0 | 112.5 | F281 H283 W289 | F281-L285 VanDerWaalsContact O-CB 3.27Å; F281-L285 WeakPolarHBondContact O-CB 3.33Å; F281-L285 PolarHBondContact O-N 3.42Å; H283-L285 VanDerWaalsContact C-N 3.32Å; H283-L285 PolarHBondContact O-N 2.93Å; L285-W289 PolarHBondContact O-N 2.88Å; L285-W289 VanDerWaalsContact O-N 3.08Å |
| 286 | L | 78.7 | Confident | 75.4 | Confident | 70 Ų | 70 | 95.7 Ų | 95.7 | 37% | 0.366 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.2 | -34.4 | 179.3 | -75.5 | 171.2 | 0 | 0 | 0 | 112.4 | R202 C282 H283 G290 | R202-L286 HydrophobicContact CG-CD1 3.74Å; C282-L286 VanDerWaalsContact O-CB 3.32Å; C282-L286 WeakPolarHBondContact O-CB 3.25Å; C282-L286 WeakPolarHBondContact O-CD1 3.49Å; C282-L286 WeakPolarHBondContact O-CG 3.44Å; C282-L286 PolarHBondContact O-N 3.01Å; H283-L286 PolarHBondContact O-N 2.94Å; L286-G290 PolarHBondContact O-N 3.3Å |
| 287 | D | 78.2 | Confident | 74.9 | Confident | 79 Ų | 79 | 95.5 Ų | 95.5 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -75 | -35.6 | 177.1 | -68.7 | 5.5 | 0 | 0 | 0 | 111 | R202 H283 E284 G290 S291 | R202-D287 IonicContact CZ-OD1 2.73Å; R202-D287 IonicContact NH2-OD1 2.81Å; R202-D287 PolarHBondContact NH2-OD1 3.28Å; R202-D287 IonicContact NH2-OD2 2.78Å; H283-D287 IonicContact CE1-OD1 3.63Å; H283-D287 IonicContact CE1-OD2 2.88Å; H283-D287 PolarHBondContact CE1-OD2 2.67Å; H283-D287 IonicContact ND1-OD1 3.38Å; H283-D287 IonicContact ND1-OD2 3.89Å; H283-D287 PolarHBondContact ND1-OD2 3.31Å; H283-D287 WeakPolarHBondContact O-CB 3.36Å; H283-D287 PolarHBondContact O-N 3.4Å; E284-D287 PolarHBondContact O-N 3.25Å; D287-G290 PolarHBondContact O-N 3.07Å; D287-S291 WeakPolarHBondContact O-CB 3.29Å; D287-S291 PolarHBondContact O-N 2.99Å |
| 288 | Y | 82.9 | Confident | 74.1 | Confident | 148 Ų | 148 | 93 Ų | 93 | 58% | 0.58 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.9 | -52.8 | 169.9 | -177.2 | -79.9 | 0 | 0 | 0 | 111.2 | E284 G290 S291 E292 | E284-Y288 VanDerWaalsContact O-CB 3.23Å; E284-Y288 WeakPolarHBondContact O-CB 3.41Å; E284-Y288 PolarHBondContact O-N 3.16Å; Y288-G290 PolarHBondContact O-N 2.87Å; Y288-S291 PolarHBondContact O-N 3.32Å; Y288-E292 WeakPolarHBondContact CE1-OE2 3.43Å; Y288-E292 PolarHBondContact O-N 2.92Å; Y288-E292 PolarHBondContact OH-OE2 2.91Å; Y288-E292 VanDerWaalsContact OH-OE2 3.11Å |
| 289 | W | 79.3 | Confident | 73.4 | Confident | 163 Ų | 163 | 97 Ų | 97 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -34 | 176 | -81.6 | -10.2 | 0 | 0 | 0 | 113.4 | L285 S291 E292 | L285-W289 PolarHBondContact O-N 2.88Å; L285-W289 VanDerWaalsContact O-N 3.08Å; W289-S291 PolarHBondContact O-N 3Å; W289-E292 PolarHBondContact O-N 3.14Å; W289-E292 VanDerWaalsContact O-N 3.13Å |
| 290 | G | 64 | Low | 72.7 | Confident | 52 Ų | 52 | 101.9 Ų | 101.9 | 54% | 0.536 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -28.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | L286 D287 Y288 E292 | L286-G290 PolarHBondContact O-N 3.3Å; D287-G290 PolarHBondContact O-N 3.07Å; Y288-G290 PolarHBondContact O-N 2.87Å; G290-E292 VanDerWaalsContact C-N 3.31Å |
| 291 | S | 56.9 | Low | 71.8 | Confident | 106 Ų | 106 | 104.1 Ų | 104.1 | 74% | 0.741 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -8.9 | 173.1 | -171.8 | 0 | 0 | 0 | 0 | 114 | D287 Y288 W289 | D287-S291 WeakPolarHBondContact O-CB 3.29Å; D287-S291 PolarHBondContact O-N 2.99Å; Y288-S291 PolarHBondContact O-N 3.32Å; W289-S291 PolarHBondContact O-N 3Å |
| 292 | E | 54 | Low | 70.7 | Confident | 128 Ų | 128 | 102.8 Ų | 102.8 | 60% | 0.598 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 12.1 | -177.2 | -144 | 169.6 | 117.1 | 0 | 0 | 112.5 | Y288 W289 G290 | Y288-E292 WeakPolarHBondContact CE1-OE2 3.43Å; Y288-E292 PolarHBondContact O-N 2.92Å; Y288-E292 PolarHBondContact OH-OE2 2.91Å; Y288-E292 VanDerWaalsContact OH-OE2 3.11Å; W289-E292 PolarHBondContact O-N 3.14Å; W289-E292 VanDerWaalsContact O-N 3.13Å; G290-E292 VanDerWaalsContact C-N 3.31Å |
| 293 | V | 44.4 | Very low | 69.7 | Low | 109 Ų | 109 | 109.7 Ų | 109.7 | 66% | 0.661 | 59% | 0.589 | S | S | * | * | trans | -116.5 | 114.8 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 294 | P | 46.3 | Very low | 68.5 | Low | 195 Ų | 195 | 113.5 Ų | 113.5 | 100% | 1.266 | 61% | 0.614 | S | S | * | * | trans | -70.4 | 0 | 176.3 | -20 | 33.6 | 0 | 0 | 0 | 115.5 |
Retrieved 294 of 294 residues in 67.7 ms
(Link to these results)