| 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 | 33.4 | Very low | 33.2 | Very low | 243 Ų | 243 | 129.6 Ų | 129.6 | 100% | 1.197 | 83% | 0.834 | S | S | * | * | 0 | 92.2 | 0 | -74.6 | 172.2 | 168 | 0 | 0 | 106 | |||||
| 2 | A | 33.9 | Very low | 32.7 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | 69.5 | 137.9 | 97.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 3 | E | 34.3 | Very low | 33.2 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 69% | 0.692 | 83% | 0.832 | S | S | * | * | cis | -177.9 | 153.5 | -20 | -160.2 | -156.6 | 161.3 | 0 | 0 | 103.6 | ||||
| 4 | K | 37.7 | Very low | 33.5 | Very low | 177 Ų | 177 | 127 Ų | 127 | 77% | 0.77 | 83% | 0.831 | S | S | * | * | trans | 69.6 | 145.4 | 163.3 | -73.5 | 163.5 | 176.9 | 131.2 | 0 | 118.3 | ||||
| 5 | G | 29.3 | Very low | 34 | Very low | 73 Ų | 73 | 123.2 Ų | 123.2 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | cis | -177.2 | 175 | 7.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 6 | A | 32.8 | Very low | 34.2 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -37.6 | 148 | -172.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 7 | A | 30.2 | Very low | 34.6 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | -162 | 120.4 | 128.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 8 | T | 33.1 | Very low | 34.8 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -61.7 | 131.6 | 167.2 | -32.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 9 | V | 33.3 | Very low | 35.2 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -122.7 | 115.2 | 161.2 | 173 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 10 | V | 36.5 | Very low | 35.6 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -70.7 | 138.8 | 167.2 | 167.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 11 | G | 30.4 | Very low | 36.3 | Very low | 77 Ų | 77 | 131.3 Ų | 131.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 163.2 | 104.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 12 | G | 27.4 | Very low | 37.3 | Very low | 78 Ų | 78 | 123.6 Ų | 123.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 171.6 | 63 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 13 | D | 38.8 | Very low | 38.5 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | -47.7 | 130.3 | 160.9 | -175.9 | 34.5 | 0 | 0 | 0 | 111.2 | ||||
| 14 | S | 37.3 | Very low | 40.5 | Very low | 117 Ų | 117 | 118 Ų | 118 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -168.9 | 100.6 | 153.5 | -87.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 15 | G | 41.5 | Very low | 42.8 | Very low | 70 Ų | 70 | 115 Ų | 115 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | -63.2 | 138.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 16 | D | 37.5 | Very low | 45.7 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | trans | -164.3 | 95.8 | 135.3 | -128.5 | -10 | 0 | 0 | 0 | 108 | Y19 | D16-Y19 WeakPolarHBondContact OD1-CD2 3.41Š| ||
| 17 | S | 41.5 | Very low | 48.6 | Very low | 108 Ų | 108 | 116 Ų | 116 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -128.2 | 16.7 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 18 | Y | 37.8 | Very low | 51.6 | Low | 202 Ų | 202 | 112.2 Ų | 112.2 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -107.5 | -5.5 | -179 | -91.1 | -85.3 | 0 | 0 | 0 | 113.8 | ||
| 19 | Y | 41.7 | Very low | 54.6 | Low | 175 Ų | 175 | 112 Ų | 112 | 69% | 0.686 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -96.7 | -17.2 | -177.8 | -80.1 | -75.8 | 0 | 0 | 0 | 115.5 | D16 | D16-Y19 WeakPolarHBondContact OD1-CD2 3.41Å |
| 20 | E | 43.4 | Very low | 57.6 | Low | 174 Ų | 174 | 107 Ų | 107 | 81% | 0.813 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.6 | -34.1 | 177.5 | -68.8 | -140.8 | 162.8 | 0 | 0 | 112.8 | C23 D24 | E20-C23 PolarHBondContact O-N 3.41Å; E20-D24 PolarHBondContact O-N 2.91Å |
| 21 | D | 50.9 | Low | 60.5 | Low | 125 Ų | 125 | 100.4 Ų | 100.4 | 67% | 0.668 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.8 | -36.6 | -175.3 | -160 | 37.3 | 0 | 0 | 0 | 112.8 | C23 D24 D25 | D21-C23 VanDerWaalsContact C-N 3.33Å; D21-C23 PolarHBondContact O-N 3.2Å; D21-D24 PolarHBondContact O-N 3.43Å; D21-D25 PolarHBondContact O-N 3.23Å; D21-D25 VanDerWaalsContact O-N 3.1Å |
| 22 | V | 54.7 | Low | 63.7 | Low | 81 Ų | 81 | 98.9 Ų | 98.9 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.4 | -31 | 178.4 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | R26 | V22-R26 PolarHBondContact O-N 3.35Å |
| 23 | C | 58.4 | Low | 67 | Low | 67 Ų | 67 | 99.8 Ų | 99.8 | 45% | 0.453 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.5 | -41.2 | 176.5 | -154.5 | 0 | 0 | 0 | 0 | 110.2 | E20 D21 R26 V27 | E20-C23 PolarHBondContact O-N 3.41Å; D21-C23 VanDerWaalsContact C-N 3.33Å; D21-C23 PolarHBondContact O-N 3.2Å; C23-R26 PolarHBondContact O-N 3.32Å; C23-V27 VanDerWaalsContact O-CG2 3.25Å; C23-V27 WeakPolarHBondContact O-CG2 3.34Å; C23-V27 PolarHBondContact O-N 3.24Å |
| 24 | D | 75.1 | Confident | 69.8 | Low | 69 Ų | 69 | 92.5 Ų | 92.5 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 177.1 | -159.1 | 22.5 | 0 | 0 | 0 | 111.6 | E20 D21 R26 V27 V28 | E20-D24 PolarHBondContact O-N 2.91Å; D21-D24 PolarHBondContact O-N 3.43Å; D24-R26 VanDerWaalsContact C-N 3.35Å; D24-R26 PolarHBondContact O-N 3.47Å; D24-V27 PolarHBondContact O-N 2.89Å; D24-V27 VanDerWaalsContact O-N 3.16Å; D24-V28 WeakPolarHBondContact O-CB 3.29Å; D24-V28 VanDerWaalsContact O-CG2 3.23Å; D24-V28 WeakPolarHBondContact O-CG2 3.35Å; D24-V28 PolarHBondContact O-N 3.42Å |
| 25 | D | 86.3 | Confident | 72.6 | Confident | 112 Ų | 112 | 86.9 Ų | 86.9 | 60% | 0.599 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.1 | -39.1 | 179.7 | -170.5 | 57.4 | 0 | 0 | 0 | 113.2 | D21 V28 K29 | D21-D25 PolarHBondContact O-N 3.23Å; D21-D25 VanDerWaalsContact O-N 3.1Å; D25-V28 PolarHBondContact O-N 3.49Å; D25-K29 WeakPolarHBondContact O-CB 3.43Å; D25-K29 PolarHBondContact O-N 2.63Å |
| 26 | R | 90.1 | Very high | 75.1 | Confident | 186 Ų | 186 | 88.1 Ų | 88.1 | 70% | 0.702 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 176.3 | -70.2 | -177.4 | -176.4 | -162.8 | 2.4 | 112.4 | V22 C23 D24 K29 A30 | V22-R26 PolarHBondContact O-N 3.35Å; C23-R26 PolarHBondContact O-N 3.32Å; D24-R26 VanDerWaalsContact C-N 3.35Å; D24-R26 PolarHBondContact O-N 3.47Å; R26-K29 PolarHBondContact O-N 2.77Å; R26-A30 WeakPolarHBondContact O-CB 3.47Å; R26-A30 PolarHBondContact O-N 2.95Å |
| 27 | V | 93.9 | Very high | 77.9 | Confident | 8 Ų | 8 | 84.3 Ų | 84.3 | 5% | 0.048 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67 | -45.5 | 177.8 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | C23 D24 K29 A30 A31 L58 P126 Q127 L130 | C23-V27 VanDerWaalsContact O-CG2 3.25Å; C23-V27 WeakPolarHBondContact O-CG2 3.34Å; C23-V27 PolarHBondContact O-N 3.24Å; D24-V27 PolarHBondContact O-N 2.89Å; D24-V27 VanDerWaalsContact O-N 3.16Å; V27-K29 VanDerWaalsContact C-N 3.29Å; V27-K29 PolarHBondContact O-N 3.26Å; V27-A30 PolarHBondContact O-N 2.9Å; V27-A31 PolarHBondContact O-N 3.44Å; V27-L58 HydrophobicContact CG1-CD1 3.59Å; V27-L58 HydrophobicContact CG1-CD2 4.14Å; V27-P126 HydrophobicContact CG1-CB 3.55Å; V27-Q127 VanDerWaalsContact CG2-CD 3.48Å; V27-Q127 HydrophobicContact CG2-CG 3.57Å; V27-L130 HydrophobicContact CG1-CD1 3.83Å; V27-L130 WeakPolarHBondContact O-CD1 3.21Å |
| 28 | V | 94.8 | Very high | 80.5 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 11% | 0.109 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | D24 D25 A31 V32 P54 L58 | D24-V28 WeakPolarHBondContact O-CB 3.29Å; D24-V28 VanDerWaalsContact O-CG2 3.23Å; D24-V28 WeakPolarHBondContact O-CG2 3.35Å; D24-V28 PolarHBondContact O-N 3.42Å; D25-V28 PolarHBondContact O-N 3.49Å; V28-A31 PolarHBondContact O-N 2.94Å; V28-V32 WeakPolarHBondContact O-CG2 3.45Å; V28-V32 PolarHBondContact O-N 3.42Å; V28-V32 VanDerWaalsContact O-N 3.08Å; V28-P54 HydrophobicContact CG1-CB 3.22Å; V28-P54 HydrophobicContact CG1-CG 4.41Å; V28-L58 HydrophobicContact CG2-CD2 3.92Å |
| 29 | K | 95.2 | Very high | 83.1 | Confident | 129 Ų | 129 | 73.5 Ų | 73.5 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.6 | -47.6 | 174.1 | -172.3 | -176 | 178.9 | -163.6 | 0 | 112.2 | D25 R26 V27 A31 V32 E33 | D25-K29 WeakPolarHBondContact O-CB 3.43Å; D25-K29 PolarHBondContact O-N 2.63Å; R26-K29 PolarHBondContact O-N 2.77Å; V27-K29 VanDerWaalsContact C-N 3.29Å; V27-K29 PolarHBondContact O-N 3.26Å; K29-A31 VanDerWaalsContact C-N 3.27Å; K29-A31 PolarHBondContact O-N 3.46Å; K29-V32 PolarHBondContact O-N 3.09Å; K29-E33 WeakPolarHBondContact CE-OE1 3.47Å; K29-E33 IonicContact NZ-OE1 3.85Å; K29-E33 WeakPolarHBondContact O-CG 3.4Å; K29-E33 PolarHBondContact O-N 3.48Å |
| 30 | A | 96.6 | Very high | 85.5 | Confident | 31 Ų | 31 | 68 Ų | 68 | 26% | 0.256 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R26 V27 E33 V34 L130 | R26-A30 WeakPolarHBondContact O-CB 3.47Å; R26-A30 PolarHBondContact O-N 2.95Å; V27-A30 PolarHBondContact O-N 2.9Å; A30-E33 PolarHBondContact O-N 3.25Å; A30-V34 WeakPolarHBondContact O-CG2 3.43Å; A30-V34 PolarHBondContact O-N 3Å; A30-L130 HydrophobicContact CB-CD1 4.02Å |
| 31 | A | 97.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V27 V28 K29 E33 V34 F35 I57 L58 L61 L130 | V27-A31 PolarHBondContact O-N 3.44Å; V28-A31 PolarHBondContact O-N 2.94Å; K29-A31 VanDerWaalsContact C-N 3.27Å; K29-A31 PolarHBondContact O-N 3.46Å; A31-E33 VanDerWaalsContact C-N 3.34Å; A31-V34 PolarHBondContact O-N 2.91Å; A31-F35 VanDerWaalsContact O-CB 3.26Å; A31-F35 WeakPolarHBondContact O-CB 3.41Å; A31-F35 PolarHBondContact O-N 3.3Å; A31-I57 HydrophobicContact CB-CG2 4.23Å; A31-I57 WeakPolarHBondContact O-CG2 3.26Å; A31-L58 HydrophobicContact CB-CB 4.01Å; A31-L58 HydrophobicContact CB-CD1 3.82Å; A31-L61 HydrophobicContact CB-CD1 4.45Å; A31-L61 WeakPolarHBondContact O-CD1 3.5Å; A31-L130 HydrophobicContact CB-CD1 3.91Å; A31-L130 HydrophobicContact CB-CD2 3.97Å |
| 32 | V | 96.6 | Very high | 89.7 | Confident | 45 Ų | 45 | 63.9 Ų | 63.9 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.4 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | V28 K29 F35 E36 P54 I57 | V28-V32 WeakPolarHBondContact O-CG2 3.45Å; V28-V32 PolarHBondContact O-N 3.42Å; V28-V32 VanDerWaalsContact O-N 3.08Å; K29-V32 PolarHBondContact O-N 3.09Å; V32-F35 PolarHBondContact O-N 3.45Å; V32-E36 HydrophobicContact CG1-CG 4.43Å; V32-E36 WeakPolarHBondContact O-CG 3.47Å; V32-E36 PolarHBondContact O-N 3.41Å; V32-P54 HydrophobicContact CG2-CB 3.79Å; V32-P54 HydrophobicContact CG2-CG 4.19Å; V32-I57 HydrophobicContact CG2-CD1 4.21Å |
| 33 | E | 96.9 | Very high | 91.5 | Very high | 97 Ų | 97 | 60 Ų | 60 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 177.1 | -71.6 | 173.7 | -174.5 | 0 | 0 | 111.7 | K29 A30 A31 F35 E36 K37 | K29-E33 WeakPolarHBondContact CE-OE1 3.47Å; K29-E33 IonicContact NZ-OE1 3.85Å; K29-E33 WeakPolarHBondContact O-CG 3.4Å; K29-E33 PolarHBondContact O-N 3.48Å; A30-E33 PolarHBondContact O-N 3.25Å; A31-E33 VanDerWaalsContact C-N 3.34Å; E33-F35 VanDerWaalsContact C-N 3.3Å; E33-F35 PolarHBondContact O-N 2.94Å; E33-E36 PolarHBondContact O-N 3.31Å; E33-K37 WeakPolarHBondContact O-CB 3.39Å; E33-K37 VanDerWaalsContact O-CG 3.28Å; E33-K37 WeakPolarHBondContact O-CG 3.33Å; E33-K37 PolarHBondContact O-N 3.03Å |
| 34 | V | 97.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | A30 A31 K37 L38 L61 L130 M133 D134 L137 | A30-V34 WeakPolarHBondContact O-CG2 3.43Å; A30-V34 PolarHBondContact O-N 3Å; A31-V34 PolarHBondContact O-N 2.91Å; V34-K37 WeakPolarHBondContact O-CB 3.39Å; V34-K37 PolarHBondContact O-N 2.88Å; V34-L38 HydrophobicContact CG1-CD1 4.23Å; V34-L38 WeakPolarHBondContact O-CG 3.47Å; V34-L38 PolarHBondContact O-N 3.42Å; V34-L61 HydrophobicContact CB-CD1 4.21Å; V34-L61 HydrophobicContact CG1-CD1 3.94Å; V34-L130 HydrophobicContact CB-CD2 4.35Å; V34-L130 HydrophobicContact CG2-CB 4.48Å; V34-L130 HydrophobicContact CG2-CD2 4.28Å; V34-M133 HydrophobicContact CG1-CB 3.96Å; V34-D134 HydrophobicContact CG2-CB 3.98Å; V34-L137 HydrophobicContact CG1-CD1 3.94Å |
| 35 | F | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 178.7 | -171.9 | -109.3 | 0 | 0 | 0 | 112.9 | A31 V32 E33 K37 L38 K39 L46 I51 I57 L60 L61 | A31-F35 VanDerWaalsContact O-CB 3.26Å; A31-F35 WeakPolarHBondContact O-CB 3.41Å; A31-F35 PolarHBondContact O-N 3.3Å; V32-F35 PolarHBondContact O-N 3.45Å; E33-F35 VanDerWaalsContact C-N 3.3Å; E33-F35 PolarHBondContact O-N 2.94Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.08Å; F35-L38 WeakPolarHBondContact O-CB 3.36Å; F35-L38 PolarHBondContact O-N 2.9Å; F35-K39 HydrophobicContact CD1-CD 4.49Å; F35-K39 HydrophobicContact CE1-CD 4.34Å; F35-K39 PolarHBondContact O-N 3.48Å; F35-L46 HydrophobicContact CD2-CD1 4.14Å; F35-L46 HydrophobicContact CD2-CD2 4.33Å; F35-L46 HydrophobicContact CE2-CD1 3.92Å; F35-L46 HydrophobicContact CE2-CD2 3.63Å; F35-L46 HydrophobicContact CE2-CG 4.4Å; F35-L46 HydrophobicContact CZ-CD1 4.46Å; F35-L46 HydrophobicContact CZ-CD2 4.4Å; F35-I51 HydrophobicContact CZ-CB 4.33Å; F35-I57 HydrophobicContact CB-CG2 3.45Å; F35-I57 VanDerWaalsContact CB-CG2 3.45Å; F35-I57 HydrophobicContact CD1-CD1 3.65Å; F35-I57 HydrophobicContact CD1-CG1 4.04Å; F35-I57 HydrophobicContact CD1-CG2 4.26Å; F35-I57 HydrophobicContact CD2-CG1 4.5Å; F35-I57 HydrophobicContact CD2-CG2 3.95Å; F35-I57 HydrophobicContact CE1-CD1 3.93Å; F35-I57 HydrophobicContact CE1-CG1 4.13Å; F35-I57 HydrophobicContact CG-CD1 4.17Å; F35-I57 HydrophobicContact CG-CG1 4.21Å; F35-I57 HydrophobicContact CG-CG2 3.66Å; F35-I57 HydrophobicContact CZ-CG1 4.46Å; F35-L60 HydrophobicContact CD2-CD2 4.45Å; F35-L60 HydrophobicContact CE2-CD2 3.89Å; F35-L61 HydrophobicContact CB-CD1 4.27Å |
| 36 | E | 95 | Very high | 94.3 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 173.4 | -69.7 | -55.3 | 129.3 | 0 | 0 | 111.2 | V32 E33 L38 K39 G40 | V32-E36 HydrophobicContact CG1-CG 4.43Å; V32-E36 WeakPolarHBondContact O-CG 3.47Å; V32-E36 PolarHBondContact O-N 3.41Å; E33-E36 PolarHBondContact O-N 3.31Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-L38 PolarHBondContact O-N 3.22Å; E36-K39 PolarHBondContact O-N 3.22Å; E36-K39 IonicContact OE1-NZ 2.75Å; E36-K39 PolarHBondContact OE1-NZ 3.45Å; E36-G40 PolarHBondContact O-N 3.37Å |
| 37 | K | 95.6 | Very high | 94.1 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 172.4 | -74.7 | -176 | 171.4 | -164.3 | 0 | 111.4 | E33 V34 F35 G40 V41 D134 L137 D138 R141 | E33-K37 WeakPolarHBondContact O-CB 3.39Å; E33-K37 VanDerWaalsContact O-CG 3.28Å; E33-K37 WeakPolarHBondContact O-CG 3.33Å; E33-K37 PolarHBondContact O-N 3.03Å; V34-K37 WeakPolarHBondContact O-CB 3.39Å; V34-K37 PolarHBondContact O-N 2.88Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.08Å; K37-G40 PolarHBondContact O-N 3.42Å; K37-V41 PolarHBondContact O-N 3.36Å; K37-D134 WeakPolarHBondContact CD-OD1 3.43Å; K37-D134 WeakPolarHBondContact CE-OD1 3.41Å; K37-D134 IonicContact NZ-OD1 2.79Å; K37-D134 PolarHBondContact NZ-OD1 2.74Å; K37-D134 IonicContact NZ-OD2 3.69Å; K37-D134 PolarHBondContact NZ-OD2 3.43Å; K37-L137 HydrophobicContact CB-CD1 3.9Å; K37-D138 IonicContact NZ-OD1 2.56Å; K37-D138 PolarHBondContact NZ-OD1 2.83Å; K37-D138 IonicContact NZ-OD2 3.85Å; K37-D138 PolarHBondContact NZ-OD2 3.16Å; K37-R141 VanDerWaalsContact CD-NH1 3.28Å; K37-R141 VanDerWaalsContact CG-NH1 3.35Å; K37-R141 VanDerWaalsContact CG-NH2 3.26Å; K37-R141 PolarHBondContact O-NH2 3.37Å |
| 38 | L | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 175.8 | -77.6 | 163.3 | 0 | 0 | 0 | 112.8 | V34 F35 E36 G40 V41 K42 C43 L46 L61 I71 W74 M75 M133 L137 | V34-L38 HydrophobicContact CG1-CD1 4.23Å; V34-L38 WeakPolarHBondContact O-CG 3.47Å; V34-L38 PolarHBondContact O-N 3.42Å; F35-L38 WeakPolarHBondContact O-CB 3.36Å; F35-L38 PolarHBondContact O-N 2.9Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-L38 PolarHBondContact O-N 3.22Å; L38-G40 VanDerWaalsContact C-N 3.34Å; L38-V41 WeakPolarHBondContact O-CG2 3.32Å; L38-V41 PolarHBondContact O-N 2.85Å; L38-K42 PolarHBondContact O-N 3.37Å; L38-C43 HydrophobicContact CB-CB 4.28Å; L38-C43 HydrophobicContact CD2-CB 4.14Å; L38-C43 WeakPolarHBondContact O-CB 3.13Å; L38-C43 PolarHBondContact O-N 3.27Å; L38-C43 VanDerWaalsContact O-N 3.11Å; L38-L46 HydrophobicContact CB-CD1 3.51Å; L38-L61 HydrophobicContact CD1-CD2 3.8Å; L38-I71 HydrophobicContact CD1-CG2 4.19Å; L38-I71 HydrophobicContact CD2-CG2 4Å; L38-W74 HydrophobicContact CD2-CZ3 4.21Å; L38-M75 HydrophobicContact CD2-CG 4.3Å; L38-M75 HydrophobicContact CD2-SD 3.87Å; L38-M133 HydrophobicContact CD1-CE 4.3Å; L38-L137 HydrophobicContact CD2-CD1 4.23Å; L38-L137 HydrophobicContact CD2-CD2 3.74Å; L38-L137 HydrophobicContact CD2-CG 4.49Å; L38-L137 HydrophobicContact CG-CD1 3.92Å; L38-L137 HydrophobicContact CG-CD2 4.19Å |
| 39 | K | 93 | Very high | 93 | Very high | 83 Ų | 83 | 56.3 Ų | 56.3 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 172.4 | -72.9 | 179.8 | -177.2 | 162.4 | 0 | 111.6 | F35 E36 V41 K42 L46 | F35-K39 HydrophobicContact CD1-CD 4.49Å; F35-K39 HydrophobicContact CE1-CD 4.34Å; F35-K39 PolarHBondContact O-N 3.48Å; E36-K39 PolarHBondContact O-N 3.22Å; E36-K39 IonicContact OE1-NZ 2.75Å; E36-K39 PolarHBondContact OE1-NZ 3.45Å; K39-V41 PolarHBondContact O-N 3.33Å; K39-K42 WeakPolarHBondContact O-CA 3.43Å; K39-K42 PolarHBondContact O-N 2.95Å; K39-L46 HydrophobicContact CG-CD1 3.96Å |
| 40 | G | 91.1 | Very high | 92.4 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 62% | 0.619 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60 | -33 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | E36 K37 L38 K42 | E36-G40 PolarHBondContact O-N 3.37Å; K37-G40 PolarHBondContact O-N 3.42Å; L38-G40 VanDerWaalsContact C-N 3.34Å; G40-K42 VanDerWaalsContact C-N 3.3Å |
| 41 | V | 91.3 | Very high | 92 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 8.7 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 113.6 | K37 L38 K39 C43 W74 L137 M140 R141 | K37-V41 PolarHBondContact O-N 3.36Å; L38-V41 WeakPolarHBondContact O-CG2 3.32Å; L38-V41 PolarHBondContact O-N 2.85Å; K39-V41 PolarHBondContact O-N 3.33Å; V41-C43 PolarHBondContact O-N 2.9Å; V41-W74 HydrophobicContact CB-CH2 4.28Å; V41-W74 HydrophobicContact CG2-CH2 3.64Å; V41-W74 HydrophobicContact CG2-CZ3 3.98Å; V41-L137 HydrophobicContact CG2-CD2 3.91Å; V41-M140 HydrophobicContact CG2-CE 4.36Å; V41-R141 HydrophobicContact CG1-CG 4.28Å |
| 42 | K | 91.5 | Very high | 91.5 | Very high | 175 Ų | 175 | 66.4 Ų | 66.4 | 76% | 0.761 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 50 | 179.9 | -58.4 | 179.3 | -179.5 | 177.6 | 0 | 112.5 | L38 K39 G40 P44 | L38-K42 PolarHBondContact O-N 3.37Å; K39-K42 WeakPolarHBondContact O-CA 3.43Å; K39-K42 PolarHBondContact O-N 2.95Å; G40-K42 VanDerWaalsContact C-N 3.3Å; K42-P44 WeakPolarHBondContact O-CD 3.24Å |
| 43 | C | 93.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | trans | -56.9 | 117.9 | 173 | 177.9 | 0 | 0 | 0 | 0 | 110 | L38 V41 F45 L46 W74 | L38-C43 HydrophobicContact CB-CB 4.28Å; L38-C43 HydrophobicContact CD2-CB 4.14Å; L38-C43 WeakPolarHBondContact O-CB 3.13Å; L38-C43 PolarHBondContact O-N 3.27Å; L38-C43 VanDerWaalsContact O-N 3.11Å; V41-C43 PolarHBondContact O-N 2.9Å; C43-F45 PolarHBondContact O-N 2.96Å; C43-F45 VanDerWaalsContact O-N 3.17Å; C43-L46 HydrophobicContact CB-CD1 4.27Å; C43-L46 HydrophobicContact CB-CG 4.08Å; C43-L46 PolarHBondContact O-N 3.36Å; C43-W74 HydrophobicContact CB-CE3 4.04Å; C43-W74 HydrophobicContact CB-CH2 3.84Å; C43-W74 HydrophobicContact CB-CZ2 4.47Å; C43-W74 HydrophobicContact CB-CZ3 3.59Å | ||
| 44 | P | 93.6 | Very high | 91.2 | Very high | 60 Ų | 60 | 67.9 Ų | 67.9 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -67.6 | -21.7 | -171.2 | 27.5 | -35.3 | 0 | 0 | 0 | 112.5 | K42 L46 D47 W74 | K42-P44 WeakPolarHBondContact O-CD 3.24Å; P44-L46 VanDerWaalsContact C-N 3.27Å; P44-L46 PolarHBondContact O-N 3.11Å; P44-D47 WeakPolarHBondContact O-CB 3.35Å; P44-D47 PolarHBondContact O-N 3.34Å; P44-W74 HydrophobicContact CG-CG 4.41Å |
| 45 | F | 93.1 | Very high | 90.9 | Very high | 67 Ų | 67 | 73.8 Ų | 73.8 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -67.6 | -34.3 | 176.7 | -63.4 | -80.6 | 0 | 0 | 0 | 110.4 | C43 D47 L49 Y67 D70 I71 W74 | C43-F45 PolarHBondContact O-N 2.96Å; C43-F45 VanDerWaalsContact O-N 3.17Å; F45-D47 PolarHBondContact O-N 2.93Å; F45-L49 VanDerWaalsContact O-CD1 3.27Å; F45-L49 WeakPolarHBondContact O-CD1 3.34Å; F45-Y67 HydrophobicContact CB-CE2 4.21Å; F45-Y67 WeakPolarHBondContact CB-OH 3.48Å; F45-Y67 PolarHBondContact O-OH 3.04Å; F45-D70 HydrophobicContact CD1-CB 3.86Å; F45-D70 HydrophobicContact CE1-CB 3.57Å; F45-D70 HydrophobicContact CZ-CB 4.01Å; F45-I71 HydrophobicContact CB-CG1 3.9Å; F45-I71 HydrophobicContact CG-CG1 4.35Å; F45-W74 HydrophobicContact CD2-CB 4.06Å; F45-W74 HydrophobicContact CD2-CG 4.28Å; F45-W74 HydrophobicContact CE2-CB 3.57Å; F45-W74 AromaticContact CE2-CG 3.92Å; F45-W74 HydrophobicContact CE2-CG 3.92Å |
| 46 | L | 91.8 | Very high | 90.8 | Very high | 13 Ų | 13 | 76.3 Ų | 76.3 | 7% | 0.068 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -76.3 | -10.6 | -179 | -58.4 | -170.1 | 0 | 0 | 0 | 113.4 | F35 L38 K39 C43 P44 G48 L49 L60 Y67 I71 | F35-L46 HydrophobicContact CD2-CD1 4.14Å; F35-L46 HydrophobicContact CD2-CD2 4.33Å; F35-L46 HydrophobicContact CE2-CD1 3.92Å; F35-L46 HydrophobicContact CE2-CD2 3.63Å; F35-L46 HydrophobicContact CE2-CG 4.4Å; F35-L46 HydrophobicContact CZ-CD1 4.46Å; F35-L46 HydrophobicContact CZ-CD2 4.4Å; L38-L46 HydrophobicContact CB-CD1 3.51Å; K39-L46 HydrophobicContact CG-CD1 3.96Å; C43-L46 HydrophobicContact CB-CD1 4.27Å; C43-L46 HydrophobicContact CB-CG 4.08Å; C43-L46 PolarHBondContact O-N 3.36Å; P44-L46 VanDerWaalsContact C-N 3.27Å; P44-L46 PolarHBondContact O-N 3.11Å; L46-G48 PolarHBondContact O-N 3.36Å; L46-L49 PolarHBondContact O-N 2.96Å; L46-L49 VanDerWaalsContact O-N 3.1Å; L46-L60 HydrophobicContact CD2-CD2 4.48Å; L46-Y67 PolarHBondContact N-OH 2.88Å; L46-I71 HydrophobicContact CD2-CD1 4.22Å |
| 47 | D | 85.4 | Confident | 90.8 | Very high | 119 Ų | 119 | 72 Ų | 72 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 121.4 | 179.6 | -72.3 | -25.7 | 0 | 0 | 0 | 110.6 | P44 F45 | P44-D47 WeakPolarHBondContact O-CB 3.35Å; P44-D47 PolarHBondContact O-N 3.34Å; F45-D47 PolarHBondContact O-N 2.93Å |
| 48 | G | 80.3 | Confident | 90.8 | Very high | 61 Ų | 61 | 71 Ų | 71 | 63% | 0.629 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 1.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L46 Y50 | L46-G48 PolarHBondContact O-N 3.36Å; G48-Y50 WeakPolarHBondContact O-CD2 3.45Å; G48-Y50 WeakPolarHBondContact O-CE2 3.49Å |
| 49 | L | 85.6 | Confident | 90.8 | Very high | 61 Ų | 61 | 75.2 Ų | 75.2 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | trans | -89.8 | 112.6 | 171.2 | -82.6 | 142.6 | 0 | 0 | 0 | 111.7 | F45 L46 I51 Y67 | F45-L49 VanDerWaalsContact O-CD1 3.27Å; F45-L49 WeakPolarHBondContact O-CD1 3.34Å; L46-L49 PolarHBondContact O-N 2.96Å; L46-L49 VanDerWaalsContact O-N 3.1Å; L49-I51 VanDerWaalsContact C-N 3.31Å; L49-I51 HydrophobicContact CB-CG1 4.47Å; L49-I51 HydrophobicContact CD2-CD1 3.72Å; L49-I51 HydrophobicContact CD2-CG1 4.07Å; L49-I51 PolarHBondContact O-N 3.12Å; L49-Y67 HydrophobicContact CD1-CE1 4.18Å; L49-Y67 HydrophobicContact CD1-CE2 3.86Å; L49-Y67 WeakPolarHBondContact CD1-OH 3.09Å | ||
| 50 | Y | 83.4 | Confident | 90.9 | Very high | 217 Ų | 217 | 72.5 Ų | 72.5 | 85% | 0.851 | 39% | 0.391 | S | S | * | . | trans | -94.6 | 54.1 | 176.5 | -57.4 | -81.8 | 0 | 0 | 0 | 111.2 | G48 | G48-Y50 WeakPolarHBondContact O-CD2 3.45Å; G48-Y50 WeakPolarHBondContact O-CE2 3.49Å | ||
| 51 | I | 87.6 | Confident | 91.1 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | trans | -86.9 | 122.6 | 175.3 | -56.1 | 173.1 | 0 | 0 | 0 | 108.6 | F35 L49 T56 I57 L60 | F35-I51 HydrophobicContact CZ-CB 4.33Å; L49-I51 VanDerWaalsContact C-N 3.31Å; L49-I51 HydrophobicContact CB-CG1 4.47Å; L49-I51 HydrophobicContact CD2-CD1 3.72Å; L49-I51 HydrophobicContact CD2-CG1 4.07Å; L49-I51 PolarHBondContact O-N 3.12Å; I51-T56 HydrophobicContact CD1-CG2 4.4Å; I51-T56 HydrophobicContact CG2-CG2 3.83Å; I51-I57 HydrophobicContact CG2-CG1 3.66Å; I51-L60 HydrophobicContact CD1-CD2 3.95Å | ||
| 52 | T | 85.9 | Confident | 91.4 | Very high | 127 Ų | 127 | 68.3 Ų | 68.3 | 78% | 0.779 | 35% | 0.354 | S | S | * | . | trans | -122.3 | -17.2 | 177.6 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | P54 | T52-P54 WeakPolarHBondContact O-CD 3.25Š| ||
| 53 | E | 93.8 | Very high | 91.5 | Very high | 119 Ų | 119 | 66.9 Ų | 66.9 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | trans | -79.4 | 121 | -178.4 | -172 | 168.1 | -171 | 0 | 0 | 111.1 | K55 T56 I57 | E53-K55 VanDerWaalsContact C-N 3.3Å; E53-K55 PolarHBondContact O-N 3.49Å; E53-T56 PolarHBondContact O-N 2.85Å; E53-T56 VanDerWaalsContact O-N 3.11Å; E53-I57 PolarHBondContact O-N 3.43Å; E53-I57 VanDerWaalsContact O-N 3.12Å | ||
| 54 | P | 93.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 70.2 Ų | 70.2 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -34.8 | -174.2 | -28.5 | 36.6 | 0 | 0 | 0 | 114.7 | V28 V32 T52 I57 L58 | V28-P54 HydrophobicContact CG1-CB 3.22Å; V28-P54 HydrophobicContact CG1-CG 4.41Å; V32-P54 HydrophobicContact CG2-CB 3.79Å; V32-P54 HydrophobicContact CG2-CG 4.19Å; T52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-I57 PolarHBondContact O-N 2.66Å; P54-L58 PolarHBondContact O-N 2.89Å |
| 55 | K | 92.3 | Very high | 91.6 | Very high | 127 Ų | 127 | 69.7 Ų | 69.7 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.7 | -38.7 | 177.6 | -67.9 | -171.8 | 176.1 | -171.2 | 0 | 112 | E53 I57 L58 E59 | E53-K55 VanDerWaalsContact C-N 3.3Å; E53-K55 PolarHBondContact O-N 3.49Å; K55-I57 VanDerWaalsContact C-N 3.34Å; K55-L58 WeakPolarHBondContact O-CB 3.41Å; K55-L58 PolarHBondContact O-N 3.11Å; K55-E59 WeakPolarHBondContact O-CG 3.45Å; K55-E59 PolarHBondContact O-N 3.13Å |
| 56 | T | 93.9 | Very high | 91.5 | Very high | 53 Ų | 53 | 74.4 Ų | 74.4 | 33% | 0.325 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 175.3 | -48.2 | 0 | 0 | 0 | 0 | 111.6 | I51 E53 E59 L60 | I51-T56 HydrophobicContact CD1-CG2 4.4Å; I51-T56 HydrophobicContact CG2-CG2 3.83Å; E53-T56 PolarHBondContact O-N 2.85Å; E53-T56 VanDerWaalsContact O-N 3.11Å; T56-E59 PolarHBondContact O-N 3.48Å; T56-L60 WeakPolarHBondContact O-CB 3.45Å; T56-L60 PolarHBondContact O-N 3.37Å |
| 57 | I | 95.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 173.1 | -66.4 | 170.4 | 0 | 0 | 0 | 110.3 | A31 V32 F35 I51 E53 P54 K55 E59 L60 L61 | A31-I57 HydrophobicContact CB-CG2 4.23Å; A31-I57 WeakPolarHBondContact O-CG2 3.26Å; V32-I57 HydrophobicContact CG2-CD1 4.21Å; F35-I57 HydrophobicContact CB-CG2 3.45Å; F35-I57 VanDerWaalsContact CB-CG2 3.45Å; F35-I57 HydrophobicContact CD1-CD1 3.65Å; F35-I57 HydrophobicContact CD1-CG1 4.04Å; F35-I57 HydrophobicContact CD1-CG2 4.26Å; F35-I57 HydrophobicContact CD2-CG1 4.5Å; F35-I57 HydrophobicContact CD2-CG2 3.95Å; F35-I57 HydrophobicContact CE1-CD1 3.93Å; F35-I57 HydrophobicContact CE1-CG1 4.13Å; F35-I57 HydrophobicContact CG-CD1 4.17Å; F35-I57 HydrophobicContact CG-CG1 4.21Å; F35-I57 HydrophobicContact CG-CG2 3.66Å; F35-I57 HydrophobicContact CZ-CG1 4.46Å; I51-I57 HydrophobicContact CG2-CG1 3.66Å; E53-I57 PolarHBondContact O-N 3.43Å; E53-I57 VanDerWaalsContact O-N 3.12Å; P54-I57 PolarHBondContact O-N 2.66Å; K55-I57 VanDerWaalsContact C-N 3.34Å; I57-E59 VanDerWaalsContact C-N 3.35Å; I57-E59 PolarHBondContact O-N 2.92Å; I57-L60 WeakPolarHBondContact O-CB 3.34Å; I57-L60 PolarHBondContact O-N 3.48Å; I57-L61 HydrophobicContact CG2-CD1 4Å; I57-L61 WeakPolarHBondContact O-CG 3.46Å; I57-L61 PolarHBondContact O-N 2.95Å; I57-L61 VanDerWaalsContact O-N 3.1Å |
| 58 | L | 95.5 | Very high | 92 | Very high | 22 Ų | 22 | 71.2 Ų | 71.2 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 176.4 | 178.6 | 62.3 | 0 | 0 | 0 | 111.6 | V27 V28 A31 P54 K55 L60 L61 C62 P126 L130 | V27-L58 HydrophobicContact CG1-CD1 3.59Å; V27-L58 HydrophobicContact CG1-CD2 4.14Å; V28-L58 HydrophobicContact CG2-CD2 3.92Å; A31-L58 HydrophobicContact CB-CB 4.01Å; A31-L58 HydrophobicContact CB-CD1 3.82Å; P54-L58 PolarHBondContact O-N 2.89Å; K55-L58 WeakPolarHBondContact O-CB 3.41Å; K55-L58 PolarHBondContact O-N 3.11Å; L58-L60 VanDerWaalsContact C-N 3.35Å; L58-L60 PolarHBondContact O-N 3.1Å; L58-L61 PolarHBondContact O-N 2.74Å; L58-C62 HydrophobicContact CD1-CB 4.2Å; L58-C62 VanDerWaalsContact O-CB 3.26Å; L58-C62 WeakPolarHBondContact O-CB 3.49Å; L58-C62 PolarHBondContact O-N 3.06Å; L58-P126 HydrophobicContact CD1-CB 4.16Å; L58-L130 HydrophobicContact CD1-CD1 4.05Å |
| 59 | E | 94.7 | Very high | 92.7 | Very high | 90 Ų | 90 | 69.3 Ų | 69.3 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 177.5 | -72.1 | -171.9 | 165.5 | 0 | 0 | 112.5 | K55 T56 I57 L61 R63 | K55-E59 WeakPolarHBondContact O-CG 3.45Å; K55-E59 PolarHBondContact O-N 3.13Å; T56-E59 PolarHBondContact O-N 3.48Å; I57-E59 VanDerWaalsContact C-N 3.35Å; I57-E59 PolarHBondContact O-N 2.92Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.48Å; E59-R63 VanDerWaalsContact O-CB 3.27Å; E59-R63 WeakPolarHBondContact O-CB 3.35Å; E59-R63 PolarHBondContact O-N 2.85Å; E59-R63 IonicContact OE1-CZ 3.22Å; E59-R63 IonicContact OE1-NH1 2.69Å; E59-R63 PolarHBondContact OE1-NH1 3.41Å; E59-R63 IonicContact OE1-NH2 3.34Å; E59-R63 PolarHBondContact OE1-NH2 3.45Å; E59-R63 IonicContact OE2-NH1 3.51Å |
| 60 | L | 95.6 | Very high | 93.1 | Very high | 26 Ų | 26 | 67.9 Ų | 67.9 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 177.5 | -174.3 | 70.7 | 0 | 0 | 0 | 112.2 | F35 L46 I51 T56 I57 L58 Y67 | F35-L60 HydrophobicContact CD2-CD2 4.45Å; F35-L60 HydrophobicContact CE2-CD2 3.89Å; L46-L60 HydrophobicContact CD2-CD2 4.48Å; I51-L60 HydrophobicContact CD1-CD2 3.95Å; T56-L60 WeakPolarHBondContact O-CB 3.45Å; T56-L60 PolarHBondContact O-N 3.37Å; I57-L60 WeakPolarHBondContact O-CB 3.34Å; I57-L60 PolarHBondContact O-N 3.48Å; L58-L60 VanDerWaalsContact C-N 3.35Å; L58-L60 PolarHBondContact O-N 3.1Å; L60-Y67 HydrophobicContact CD1-CD1 3.32Å; L60-Y67 HydrophobicContact CD1-CE1 3.57Å; L60-Y67 HydrophobicContact CD1-CG 4.31Å; L60-Y67 HydrophobicContact CD2-CE1 4.07Å; L60-Y67 HydrophobicContact CG-CD1 4.1Å; L60-Y67 HydrophobicContact CG-CE1 4.08Å |
| 61 | L | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -84.6 | -30.3 | -174 | -62.9 | 178.2 | 0 | 0 | 0 | 112.9 | A31 V34 F35 L38 I57 L58 E59 R68 L130 M133 | A31-L61 HydrophobicContact CB-CD1 4.45Å; A31-L61 WeakPolarHBondContact O-CD1 3.5Å; V34-L61 HydrophobicContact CB-CD1 4.21Å; V34-L61 HydrophobicContact CG1-CD1 3.94Å; F35-L61 HydrophobicContact CB-CD1 4.27Å; L38-L61 HydrophobicContact CD1-CD2 3.8Å; I57-L61 HydrophobicContact CG2-CD1 4Å; I57-L61 WeakPolarHBondContact O-CG 3.46Å; I57-L61 PolarHBondContact O-N 2.95Å; I57-L61 VanDerWaalsContact O-N 3.1Å; L58-L61 PolarHBondContact O-N 2.74Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.48Å; L61-R68 WeakPolarHBondContact O-CD 3.25Å; L61-R68 PolarHBondContact O-NE 3.49Å; L61-L130 HydrophobicContact CB-CD2 4.17Å; L61-L130 HydrophobicContact CD1-CD2 4.04Å; L61-M133 HydrophobicContact CB-SD 4.34Å; L61-M133 HydrophobicContact CD2-CE 3.91Å; L61-M133 HydrophobicContact CD2-SD 4.35Å |
| 62 | C | 96.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -110.6 | -15.4 | -169.7 | -64.4 | 0 | 0 | 0 | 0 | 115 | L58 P126 Q129 | L58-C62 HydrophobicContact CD1-CB 4.2Å; L58-C62 VanDerWaalsContact O-CB 3.26Å; L58-C62 WeakPolarHBondContact O-CB 3.49Å; L58-C62 PolarHBondContact O-N 3.06Å; C62-P126 HydrophobicContact CB-CB 4.17Å; C62-P126 HydrophobicContact CB-CG 4.44Å; C62-Q129 VanDerWaalsContact CA-OE1 3.3Å; C62-Q129 PolarHBondContact O-NE2 3.02Å; C62-Q129 PolarHBondContact O-OE1 2.93Å; C62-Q129 VanDerWaalsContact O-OE1 3.09Å |
| 63 | R | 95.3 | Very high | 94.5 | Very high | 144 Ų | 144 | 52 Ų | 52 | 54% | 0.543 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -93 | 147.7 | 177.3 | -70.5 | -166.4 | 168.8 | 150.9 | 8.2 | 112.6 | E59 S65 R68 | E59-R63 VanDerWaalsContact O-CB 3.27Å; E59-R63 WeakPolarHBondContact O-CB 3.35Å; E59-R63 PolarHBondContact O-N 2.85Å; E59-R63 IonicContact OE1-CZ 3.22Å; E59-R63 IonicContact OE1-NH1 2.69Å; E59-R63 PolarHBondContact OE1-NH1 3.41Å; E59-R63 IonicContact OE1-NH2 3.34Å; E59-R63 PolarHBondContact OE1-NH2 3.45Å; E59-R63 IonicContact OE2-NH1 3.51Å; R63-S65 PolarHBondContact O-N 2.97Å; R63-S65 VanDerWaalsContact O-N 3.09Å; R63-R68 WeakPolarHBondContact O-CD 3.21Å |
| 64 | P | 95.4 | Very high | 94.6 | Very high | 71 Ų | 71 | 48.3 Ų | 48.3 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | trans | -59.4 | 117.4 | 175.5 | -20.7 | 33.5 | 0 | 0 | 0 | 110.4 | M121 G122 R123 | P64-M121 WeakPolarHBondContact CA-O 3.46Å; P64-M121 VanDerWaalsContact CB-O 3.26Å; P64-M121 WeakPolarHBondContact CB-O 3.06Å; P64-M121 WeakPolarHBondContact CG-O 3.19Å; P64-G122 WeakPolarHBondContact CD-O 3.13Å; P64-G122 WeakPolarHBondContact CG-O 3.36Å; P64-R123 HydrophobicContact CG-CG 4.11Å | ||
| 65 | S | 93.2 | Very high | 94.7 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | trans | -155.2 | 154 | 175.2 | 70.7 | 0 | 0 | 0 | 0 | 110 | R63 Y67 R68 L69 | R63-S65 PolarHBondContact O-N 2.97Å; R63-S65 VanDerWaalsContact O-N 3.09Å; S65-Y67 PolarHBondContact O-N 2.98Å; S65-R68 PolarHBondContact O-N 2.73Å; S65-R68 VanDerWaalsContact OG-CB 3.26Å; S65-R68 WeakPolarHBondContact OG-CB 3.18Å; S65-R68 PolarHBondContact OG-N 3.45Å; S65-L69 PolarHBondContact O-N 2.98Å | ||
| 66 | K | 91.4 | Very high | 94.8 | Very high | 167 Ų | 167 | 39.8 Ų | 39.8 | 73% | 0.726 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -56.4 | -43 | 172.4 | 176.1 | 174.3 | 176.7 | 170.5 | 0 | 110.9 | R68 L69 D70 | K66-R68 PolarHBondContact O-N 2.88Å; K66-L69 WeakPolarHBondContact O-CB 3.26Å; K66-L69 PolarHBondContact O-N 3.25Å; K66-L69 VanDerWaalsContact O-N 3.11Å; K66-D70 VanDerWaalsContact O-CG 3.29Å; K66-D70 PolarHBondContact O-N 3.32Å |
| 67 | Y | 93 | Very high | 94.8 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | -175.9 | -171 | -87.5 | 0 | 0 | 0 | 112.6 | F45 L46 L49 L60 S65 L69 D70 I71 | F45-Y67 HydrophobicContact CB-CE2 4.21Å; F45-Y67 WeakPolarHBondContact CB-OH 3.48Å; F45-Y67 PolarHBondContact O-OH 3.04Å; L46-Y67 PolarHBondContact N-OH 2.88Å; L49-Y67 HydrophobicContact CD1-CE1 4.18Å; L49-Y67 HydrophobicContact CD1-CE2 3.86Å; L49-Y67 WeakPolarHBondContact CD1-OH 3.09Å; L60-Y67 HydrophobicContact CD1-CD1 3.32Å; L60-Y67 HydrophobicContact CD1-CE1 3.57Å; L60-Y67 HydrophobicContact CD1-CG 4.31Å; L60-Y67 HydrophobicContact CD2-CE1 4.07Å; L60-Y67 HydrophobicContact CG-CD1 4.1Å; L60-Y67 HydrophobicContact CG-CE1 4.08Å; S65-Y67 PolarHBondContact O-N 2.98Å; Y67-L69 VanDerWaalsContact C-N 3.33Å; Y67-L69 PolarHBondContact O-N 2.87Å; Y67-D70 PolarHBondContact O-N 2.88Å; Y67-I71 HydrophobicContact CD1-CD1 3.87Å; Y67-I71 HydrophobicContact CE1-CD1 3.45Å; Y67-I71 VanDerWaalsContact CE1-CD1 3.45Å; Y67-I71 HydrophobicContact CE1-CG1 4.19Å; Y67-I71 PolarHBondContact O-N 2.9Å; Y67-I71 VanDerWaalsContact O-N 3.09Å |
| 68 | R | 94.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 171 | 179.4 | -176.8 | 174.9 | -77.9 | -2 | 112 | L61 R63 S65 K66 D70 I71 L72 L119 L120 G122 | L61-R68 WeakPolarHBondContact O-CD 3.25Å; L61-R68 PolarHBondContact O-NE 3.49Å; R63-R68 WeakPolarHBondContact O-CD 3.21Å; S65-R68 PolarHBondContact O-N 2.73Å; S65-R68 VanDerWaalsContact OG-CB 3.26Å; S65-R68 WeakPolarHBondContact OG-CB 3.18Å; S65-R68 PolarHBondContact OG-N 3.45Å; K66-R68 PolarHBondContact O-N 2.88Å; R68-D70 VanDerWaalsContact C-N 3.31Å; R68-D70 PolarHBondContact O-N 3.34Å; R68-I71 PolarHBondContact O-N 2.94Å; R68-L72 HydrophobicContact CG-CD1 4.29Å; R68-L72 WeakPolarHBondContact O-CG 3.47Å; R68-L72 PolarHBondContact O-N 3.4Å; R68-L119 PolarHBondContact NH2-O 3.44Å; R68-L120 PolarHBondContact NH1-O 2.93Å; R68-G122 VanDerWaalsContact CZ-CA 3.43Å |
| 69 | L | 94.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | -180 | -172.9 | 65.9 | 0 | 0 | 0 | 111.8 | S65 K66 Y67 L72 E73 V95 I99 M102 | S65-L69 PolarHBondContact O-N 2.98Å; K66-L69 WeakPolarHBondContact O-CB 3.26Å; K66-L69 PolarHBondContact O-N 3.25Å; K66-L69 VanDerWaalsContact O-N 3.11Å; Y67-L69 VanDerWaalsContact C-N 3.33Å; Y67-L69 PolarHBondContact O-N 2.87Å; L69-L72 PolarHBondContact O-N 2.8Å; L69-E73 VanDerWaalsContact O-CB 3.28Å; L69-E73 WeakPolarHBondContact O-CB 3.33Å; L69-E73 PolarHBondContact O-N 3.31Å; L69-V95 HydrophobicContact CD2-CG1 3.74Å; L69-I99 HydrophobicContact CD1-CG1 4.19Å; L69-M102 HydrophobicContact CD1-CE 4.33Å; L69-M102 HydrophobicContact CD1-SD 4.04Å |
| 70 | D | 93.6 | Very high | 94.4 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 17% | 0.171 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.5 | -38.1 | 176.2 | -64.3 | -23.2 | 0 | 0 | 0 | 111.3 | F45 K66 Y67 R68 W74 | F45-D70 HydrophobicContact CD1-CB 3.86Å; F45-D70 HydrophobicContact CE1-CB 3.57Å; F45-D70 HydrophobicContact CZ-CB 4.01Å; K66-D70 VanDerWaalsContact O-CG 3.29Å; K66-D70 PolarHBondContact O-N 3.32Å; Y67-D70 PolarHBondContact O-N 2.88Å; R68-D70 VanDerWaalsContact C-N 3.31Å; R68-D70 PolarHBondContact O-N 3.34Å; D70-W74 WeakPolarHBondContact O-CB 3.15Å; D70-W74 PolarHBondContact O-N 3.5Å |
| 71 | I | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -50.8 | 171.3 | -69.8 | 166.1 | 0 | 0 | 0 | 111.1 | L38 F45 L46 Y67 R68 E73 W74 M75 M133 | L38-I71 HydrophobicContact CD1-CG2 4.19Å; L38-I71 HydrophobicContact CD2-CG2 4Å; F45-I71 HydrophobicContact CB-CG1 3.9Å; F45-I71 HydrophobicContact CG-CG1 4.35Å; L46-I71 HydrophobicContact CD2-CD1 4.22Å; Y67-I71 HydrophobicContact CD1-CD1 3.87Å; Y67-I71 HydrophobicContact CE1-CD1 3.45Å; Y67-I71 VanDerWaalsContact CE1-CD1 3.45Å; Y67-I71 HydrophobicContact CE1-CG1 4.19Å; Y67-I71 PolarHBondContact O-N 2.9Å; Y67-I71 VanDerWaalsContact O-N 3.09Å; R68-I71 PolarHBondContact O-N 2.94Å; I71-E73 VanDerWaalsContact C-N 3.34Å; I71-E73 PolarHBondContact O-N 3.4Å; I71-W74 WeakPolarHBondContact O-CB 3.33Å; I71-W74 PolarHBondContact O-N 3.16Å; I71-M75 HydrophobicContact CG2-SD 3.84Å; I71-M75 WeakPolarHBondContact O-CG 3.49Å; I71-M75 PolarHBondContact O-N 3.5Å; I71-M133 HydrophobicContact CG2-CE 3.85Å |
| 72 | L | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | -178.7 | -73.1 | 172.7 | 0 | 0 | 0 | 111.5 | R68 L69 W74 M75 C76 M102 L120 F132 M133 | R68-L72 HydrophobicContact CG-CD1 4.29Å; R68-L72 WeakPolarHBondContact O-CG 3.47Å; R68-L72 PolarHBondContact O-N 3.4Å; L69-L72 PolarHBondContact O-N 2.8Å; L72-W74 VanDerWaalsContact C-N 3.29Å; L72-W74 PolarHBondContact O-N 3.47Å; L72-M75 HydrophobicContact CD2-SD 4.43Å; L72-M75 PolarHBondContact O-N 3.45Å; L72-C76 WeakPolarHBondContact O-CB 3.49Å; L72-C76 PolarHBondContact O-N 3.3Å; L72-C76 PolarHBondContact O-SG 2.76Å; L72-M102 HydrophobicContact CB-CE 3.31Å; L72-L120 HydrophobicContact CD1-CD1 4.17Å; L72-F132 HydrophobicContact CD2-CD1 4.48Å; L72-F132 HydrophobicContact CD2-CE1 4.15Å; L72-M133 HydrophobicContact CD2-CE 3.91Å; L72-M133 HydrophobicContact CD2-CG 3.76Å; L72-M133 HydrophobicContact CD2-SD 4.14Å; L72-M133 HydrophobicContact CG-CE 4.44Å |
| 73 | E | 94.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55 | -49 | 173.6 | 171.9 | 177.4 | -140.9 | 0 | 0 | 110.7 | L69 I71 M75 C76 I77 F87 K98 M102 | L69-E73 VanDerWaalsContact O-CB 3.28Å; L69-E73 WeakPolarHBondContact O-CB 3.33Å; L69-E73 PolarHBondContact O-N 3.31Å; I71-E73 VanDerWaalsContact C-N 3.34Å; I71-E73 PolarHBondContact O-N 3.4Å; E73-M75 PolarHBondContact O-N 3.35Å; E73-C76 PolarHBondContact O-N 3.34Å; E73-I77 HydrophobicContact CG-CD1 3.67Å; E73-I77 HydrophobicContact CG-CG1 4.27Å; E73-I77 WeakPolarHBondContact O-CG1 3.34Å; E73-I77 PolarHBondContact O-N 2.99Å; E73-F87 HydrophobicContact CG-CD2 3.65Å; E73-F87 HydrophobicContact CG-CE2 3.95Å; E73-F87 WeakPolarHBondContact OE1-CB 3.4Å; E73-F87 WeakPolarHBondContact OE1-CD2 3.45Å; E73-K98 VanDerWaalsContact OE1-CE 3.23Å; E73-K98 WeakPolarHBondContact OE1-CE 3.49Å; E73-K98 IonicContact OE1-NZ 3.05Å; E73-K98 PolarHBondContact OE1-NZ 3.32Å; E73-K98 VanDerWaalsContact OE1-NZ 3.16Å; E73-K98 WeakPolarHBondContact OE2-CE 3.5Å; E73-K98 IonicContact OE2-NZ 3.02Å; E73-K98 PolarHBondContact OE2-NZ 3.35Å; E73-M102 VanDerWaalsContact N-CE 3.35Å |
| 74 | W | 95.6 | Very high | 93.1 | Very high | 43 Ų | 43 | 45 Ų | 45 | 16% | 0.163 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | -179.9 | 174.4 | 79.1 | 0 | 0 | 0 | 112.4 | L38 V41 C43 P44 F45 D70 I71 L72 C76 I77 W78 M140 | L38-W74 HydrophobicContact CD2-CZ3 4.21Å; V41-W74 HydrophobicContact CB-CH2 4.28Å; V41-W74 HydrophobicContact CG2-CH2 3.64Å; V41-W74 HydrophobicContact CG2-CZ3 3.98Å; C43-W74 HydrophobicContact CB-CE3 4.04Å; C43-W74 HydrophobicContact CB-CH2 3.84Å; C43-W74 HydrophobicContact CB-CZ2 4.47Å; C43-W74 HydrophobicContact CB-CZ3 3.59Å; P44-W74 HydrophobicContact CG-CG 4.41Å; F45-W74 HydrophobicContact CD2-CB 4.06Å; F45-W74 HydrophobicContact CD2-CG 4.28Å; F45-W74 HydrophobicContact CE2-CB 3.57Å; F45-W74 AromaticContact CE2-CG 3.92Å; F45-W74 HydrophobicContact CE2-CG 3.92Å; D70-W74 WeakPolarHBondContact O-CB 3.15Å; D70-W74 PolarHBondContact O-N 3.5Å; I71-W74 WeakPolarHBondContact O-CB 3.33Å; I71-W74 PolarHBondContact O-N 3.16Å; L72-W74 VanDerWaalsContact C-N 3.29Å; L72-W74 PolarHBondContact O-N 3.47Å; W74-C76 VanDerWaalsContact C-N 3.34Å; W74-C76 PolarHBondContact O-N 3.01Å; W74-I77 PolarHBondContact O-N 2.84Å; W74-W78 WeakPolarHBondContact O-CB 3.41Å; W74-W78 PolarHBondContact O-N 3.36Å; W74-M140 HydrophobicContact CE3-CE 4.36Å; W74-M140 HydrophobicContact CH2-CE 3.56Å; W74-M140 HydrophobicContact CZ2-CE 4.29Å; W74-M140 HydrophobicContact CZ3-CE 3.61Å |
| 75 | M | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 174.7 | -65.3 | 167.4 | 63.5 | 0 | 0 | 111.2 | L38 I71 L72 E73 W78 V79 M133 L136 L137 M140 | L38-M75 HydrophobicContact CD2-CG 4.3Å; L38-M75 HydrophobicContact CD2-SD 3.87Å; I71-M75 HydrophobicContact CG2-SD 3.84Å; I71-M75 WeakPolarHBondContact O-CG 3.49Å; I71-M75 PolarHBondContact O-N 3.5Å; L72-M75 HydrophobicContact CD2-SD 4.43Å; L72-M75 PolarHBondContact O-N 3.45Å; E73-M75 PolarHBondContact O-N 3.35Å; M75-W78 WeakPolarHBondContact O-CB 3.39Å; M75-W78 PolarHBondContact O-N 2.84Å; M75-V79 WeakPolarHBondContact O-CG2 3.44Å; M75-V79 PolarHBondContact O-N 2.78Å; M75-M133 HydrophobicContact CE-CB 4.11Å; M75-M133 HydrophobicContact CE-CE 4.47Å; M75-M133 HydrophobicContact CE-CG 4.5Å; M75-M133 VanDerWaalsContact CE-O 3.27Å; M75-M133 WeakPolarHBondContact CE-O 3.41Å; M75-M133 HydrophobicContact SD-CE 3.8Å; M75-L136 HydrophobicContact CB-CD2 3.62Å; M75-L136 HydrophobicContact CB-CG 4.22Å; M75-L136 HydrophobicContact CE-CB 3.84Å; M75-L136 HydrophobicContact CE-CD2 3.88Å; M75-L136 HydrophobicContact CE-CG 4.06Å; M75-L137 HydrophobicContact CE-CD1 4.18Å; M75-L137 HydrophobicContact CE-CD2 4.01Å; M75-L137 HydrophobicContact CE-CG 3.58Å; M75-M140 HydrophobicContact CB-SD 3.88Å; M75-M140 HydrophobicContact CG-SD 3.92Å |
| 76 | C | 94.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | 177.9 | -69.4 | 0 | 0 | 0 | 0 | 112.8 | L72 E73 W74 W78 V79 C80 L83 M102 L105 | L72-C76 WeakPolarHBondContact O-CB 3.49Å; L72-C76 PolarHBondContact O-N 3.3Å; L72-C76 PolarHBondContact O-SG 2.76Å; E73-C76 PolarHBondContact O-N 3.34Å; W74-C76 VanDerWaalsContact C-N 3.34Å; W74-C76 PolarHBondContact O-N 3.01Å; C76-W78 VanDerWaalsContact C-N 3.28Å; C76-W78 PolarHBondContact O-N 3.47Å; C76-V79 PolarHBondContact O-N 2.82Å; C76-C80 PolarHBondContact O-N 2.88Å; C76-L83 HydrophobicContact CB-CD1 3.97Å; C76-M102 HydrophobicContact CB-CG 4.45Å; C76-L105 HydrophobicContact CB-CD2 3.75Å |
| 77 | I | 93.4 | Very high | 92.2 | Very high | 35 Ų | 35 | 42.2 Ų | 42.2 | 18% | 0.179 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 175.1 | -70.5 | 170.3 | 0 | 0 | 0 | 110.3 | E73 W74 V79 C80 P81 L83 Q84 F87 | E73-I77 HydrophobicContact CG-CD1 3.67Å; E73-I77 HydrophobicContact CG-CG1 4.27Å; E73-I77 WeakPolarHBondContact O-CG1 3.34Å; E73-I77 PolarHBondContact O-N 2.99Å; W74-I77 PolarHBondContact O-N 2.84Å; I77-V79 PolarHBondContact O-N 3.44Å; I77-C80 CarbonylContact O-C 3.39Å; I77-C80 PolarHBondContact O-N 2.81Å; I77-P81 VanDerWaalsContact O-CA 3.27Å; I77-P81 WeakPolarHBondContact O-CA 3.05Å; I77-P81 VanDerWaalsContact O-N 3.1Å; I77-L83 HydrophobicContact CG1-CB 4.4Å; I77-Q84 HydrophobicContact CD1-CB 4.46Å; I77-Q84 HydrophobicContact CG1-CB 4.46Å; I77-Q84 HydrophobicContact CG2-CB 3.99Å; I77-Q84 HydrophobicContact CG2-CG 4.48Å; I77-F87 HydrophobicContact CD1-CD2 4.03Å; I77-F87 HydrophobicContact CG1-CD2 3.92Å; I77-F87 HydrophobicContact CG1-CE2 4.14Å |
| 78 | W | 92.5 | Very high | 91.8 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 36% | 0.36 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.9 | -43.1 | -179.7 | -158.5 | 102.9 | 0 | 0 | 0 | 111.3 | W74 M75 C76 M140 L143 A144 | W74-W78 WeakPolarHBondContact O-CB 3.41Å; W74-W78 PolarHBondContact O-N 3.36Å; M75-W78 WeakPolarHBondContact O-CB 3.39Å; M75-W78 PolarHBondContact O-N 2.84Å; C76-W78 VanDerWaalsContact C-N 3.28Å; C76-W78 PolarHBondContact O-N 3.47Å; W78-M140 HydrophobicContact CB-CE 3.75Å; W78-M140 HydrophobicContact CB-CG 4.47Å; W78-M140 HydrophobicContact CB-SD 4.39Å; W78-M140 HydrophobicContact CD2-CB 4.19Å; W78-M140 HydrophobicContact CD2-CE 3.7Å; W78-M140 HydrophobicContact CD2-CG 4.08Å; W78-M140 HydrophobicContact CE3-CB 3.55Å; W78-M140 HydrophobicContact CE3-CE 4.15Å; W78-M140 HydrophobicContact CE3-CG 3.52Å; W78-M140 HydrophobicContact CG-CE 3.52Å; W78-M140 HydrophobicContact CG-CG 4.5Å; W78-M140 HydrophobicContact CH2-CB 4.4Å; W78-M140 WeakPolarHBondContact CH2-O 3.2Å; W78-M140 HydrophobicContact CZ3-CB 3.7Å; W78-M140 HydrophobicContact CZ3-CG 4.16Å; W78-M140 WeakPolarHBondContact CZ3-O 3.37Å; W78-L143 HydrophobicContact CH2-CB 4.21Å; W78-L143 HydrophobicContact CZ3-CB 3.77Å; W78-A144 HydrophobicContact CH2-CB 3.68Å; W78-A144 HydrophobicContact CZ2-CB 4.08Å |
| 79 | V | 91.6 | Very high | 91.2 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.3 | -37.4 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | M75 C76 I77 L109 L136 M139 M140 | M75-V79 WeakPolarHBondContact O-CG2 3.44Å; M75-V79 PolarHBondContact O-N 2.78Å; C76-V79 PolarHBondContact O-N 2.82Å; I77-V79 PolarHBondContact O-N 3.44Å; V79-L109 HydrophobicContact CG1-CD1 3.81Å; V79-L136 HydrophobicContact CB-CD1 4.35Å; V79-L136 HydrophobicContact CG2-CD1 3.76Å; V79-L136 HydrophobicContact CG2-CG 4.3Å; V79-M139 HydrophobicContact CG1-CG 4.36Å; V79-M139 HydrophobicContact CG1-SD 3.74Å; V79-M140 HydrophobicContact CG2-CG 3.47Å; V79-M140 VanDerWaalsContact CG2-CG 3.47Å |
| 80 | C | 92.2 | Very high | 90.5 | Very high | 35 Ų | 35 | 49 Ų | 49 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | trans | -133.1 | 90.4 | -179.8 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | C76 I77 S82 L83 L105 | C76-C80 PolarHBondContact O-N 2.88Å; I77-C80 CarbonylContact O-C 3.39Å; I77-C80 PolarHBondContact O-N 2.81Å; C80-S82 PolarHBondContact O-N 2.82Å; C80-S82 PolarHBondContact SG-OG 3.23Å; C80-L83 HydrophobicContact CB-CD1 4.16Å; C80-L83 HydrophobicContact CB-CG 4.22Å; C80-L83 WeakPolarHBondContact O-CB 3.43Å; C80-L83 PolarHBondContact O-N 3.21Å; C80-L105 HydrophobicContact CB-CD1 3.88Å; C80-L105 HydrophobicContact CB-CD2 4.17Å | ||
| 81 | P | 90.1 | Very high | 89.3 | Confident | 91 Ų | 91 | 56.5 Ų | 56.5 | 59% | 0.591 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.8 | -175.8 | -29.4 | 36.4 | 0 | 0 | 0 | 114.6 | I77 L83 Q84 | I77-P81 VanDerWaalsContact O-CA 3.27Å; I77-P81 WeakPolarHBondContact O-CA 3.05Å; I77-P81 VanDerWaalsContact O-N 3.1Å; P81-L83 PolarHBondContact O-N 3.42Å; P81-L83 VanDerWaalsContact O-N 3.1Å; P81-Q84 VanDerWaalsContact O-CB 3.27Å; P81-Q84 WeakPolarHBondContact O-CB 3.39Å; P81-Q84 PolarHBondContact O-N 3.17Å |
| 82 | S | 87.9 | Confident | 87.7 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.6 | 176.9 | 72.9 | 0 | 0 | 0 | 0 | 114.2 | C80 Q84 | C80-S82 PolarHBondContact O-N 2.82Å; C80-S82 PolarHBondContact SG-OG 3.23Å; S82-Q84 VanDerWaalsContact C-N 3.27Å; S82-Q84 PolarHBondContact O-N 3.27Å |
| 83 | L | 89.6 | Confident | 85.9 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.9 | -22.6 | 174.2 | -70 | 179.9 | 0 | 0 | 0 | 112.8 | C76 I77 C80 P81 D85 K86 F87 E101 L105 | C76-L83 HydrophobicContact CB-CD1 3.97Å; I77-L83 HydrophobicContact CG1-CB 4.4Å; C80-L83 HydrophobicContact CB-CD1 4.16Å; C80-L83 HydrophobicContact CB-CG 4.22Å; C80-L83 WeakPolarHBondContact O-CB 3.43Å; C80-L83 PolarHBondContact O-N 3.21Å; P81-L83 PolarHBondContact O-N 3.42Å; P81-L83 VanDerWaalsContact O-N 3.1Å; L83-D85 PolarHBondContact O-N 3.16Å; L83-K86 HydrophobicContact CD2-CD 4.1Å; L83-K86 PolarHBondContact O-N 3.39Å; L83-F87 HydrophobicContact CB-CD2 4.22Å; L83-F87 HydrophobicContact CB-CE2 3.83Å; L83-F87 HydrophobicContact CB-CZ 4.05Å; L83-F87 HydrophobicContact CD1-CE2 4.21Å; L83-F87 HydrophobicContact CD1-CZ 4.01Å; L83-F87 HydrophobicContact CD2-CE1 4.4Å; L83-F87 HydrophobicContact CD2-CZ 4.19Å; L83-F87 HydrophobicContact CG-CZ 4.33Å; L83-F87 WeakPolarHBondContact O-CB 3.1Å; L83-F87 VanDerWaalsContact O-CG 3.3Å; L83-F87 WeakPolarHBondContact O-CG 3.16Å; L83-F87 PolarHBondContact O-N 2.95Å; L83-E101 HydrophobicContact CD2-CB 4.41Å; L83-L105 HydrophobicContact CD1-CB 4.36Å; L83-L105 HydrophobicContact CD1-CD2 3.65Å; L83-L105 HydrophobicContact CD1-CG 4.48Å |
| 84 | Q | 89.2 | Confident | 85.1 | Confident | 106 Ų | 106 | 66 Ų | 66 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | -177.8 | -174 | 171 | 17.7 | 0 | 0 | 112 | I77 P81 S82 K86 S88 | I77-Q84 HydrophobicContact CD1-CB 4.46Å; I77-Q84 HydrophobicContact CG1-CB 4.46Å; I77-Q84 HydrophobicContact CG2-CB 3.99Å; I77-Q84 HydrophobicContact CG2-CG 4.48Å; P81-Q84 VanDerWaalsContact O-CB 3.27Å; P81-Q84 WeakPolarHBondContact O-CB 3.39Å; P81-Q84 PolarHBondContact O-N 3.17Å; S82-Q84 VanDerWaalsContact C-N 3.27Å; S82-Q84 PolarHBondContact O-N 3.27Å; Q84-K86 VanDerWaalsContact C-N 3.35Å; Q84-S88 VanDerWaalsContact O-CB 3.25Å; Q84-S88 WeakPolarHBondContact O-CB 3.31Å; Q84-S88 PolarHBondContact O-N 3.36Å; Q84-S88 PolarHBondContact O-OG 3.36Å |
| 85 | D | 86.7 | Confident | 84.5 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 66% | 0.663 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67 | -40 | 179.6 | -66.6 | -33.5 | 0 | 0 | 0 | 111.2 | L83 S88 S89 | L83-D85 PolarHBondContact O-N 3.16Å; D85-S88 PolarHBondContact O-N 2.97Å; D85-S89 PolarHBondContact O-N 2.94Å |
| 86 | K | 85.8 | Confident | 84.2 | Confident | 92 Ų | 92 | 73.3 Ų | 73.3 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 176.8 | -69.6 | -179.6 | 165.4 | -167.6 | 0 | 111.7 | L83 Q84 S88 S89 L90 E101 | L83-K86 HydrophobicContact CD2-CD 4.1Å; L83-K86 PolarHBondContact O-N 3.39Å; Q84-K86 VanDerWaalsContact C-N 3.35Å; K86-S88 VanDerWaalsContact C-N 3.34Å; K86-S88 PolarHBondContact O-N 3.2Å; K86-S89 WeakPolarHBondContact O-CB 3.24Å; K86-S89 PolarHBondContact O-N 3.46Å; K86-L90 VanDerWaalsContact O-CD1 3.32Å; K86-L90 WeakPolarHBondContact O-CD1 3.38Å; K86-L90 WeakPolarHBondContact O-CG 3.33Å; K86-L90 PolarHBondContact O-N 2.93Å; K86-E101 IonicContact NZ-OE2 2.65Å; K86-E101 PolarHBondContact NZ-OE2 3.27Å |
| 87 | F | 88.1 | Confident | 83.9 | Confident | 13 Ų | 13 | 76.1 Ų | 76.1 | 6% | 0.057 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 179.2 | -63.5 | -20.9 | 0 | 0 | 0 | 112.3 | E73 I77 L83 S89 L90 K98 E101 M102 | E73-F87 HydrophobicContact CG-CD2 3.65Å; E73-F87 HydrophobicContact CG-CE2 3.95Å; E73-F87 WeakPolarHBondContact OE1-CB 3.4Å; E73-F87 WeakPolarHBondContact OE1-CD2 3.45Å; I77-F87 HydrophobicContact CD1-CD2 4.03Å; I77-F87 HydrophobicContact CG1-CD2 3.92Å; I77-F87 HydrophobicContact CG1-CE2 4.14Å; L83-F87 HydrophobicContact CB-CD2 4.22Å; L83-F87 HydrophobicContact CB-CE2 3.83Å; L83-F87 HydrophobicContact CB-CZ 4.05Å; L83-F87 HydrophobicContact CD1-CE2 4.21Å; L83-F87 HydrophobicContact CD1-CZ 4.01Å; L83-F87 HydrophobicContact CD2-CE1 4.4Å; L83-F87 HydrophobicContact CD2-CZ 4.19Å; L83-F87 HydrophobicContact CG-CZ 4.33Å; L83-F87 WeakPolarHBondContact O-CB 3.1Å; L83-F87 VanDerWaalsContact O-CG 3.3Å; L83-F87 WeakPolarHBondContact O-CG 3.16Å; L83-F87 PolarHBondContact O-N 2.95Å; F87-S89 PolarHBondContact O-N 3.25Å; F87-L90 HydrophobicContact CD1-CD1 4.32Å; F87-L90 PolarHBondContact O-N 2.92Å; F87-L90 VanDerWaalsContact O-N 3.08Å; F87-K98 HydrophobicContact CD1-CB 4.48Å; F87-K98 HydrophobicContact CD1-CG 3.82Å; F87-K98 HydrophobicContact CE1-CB 4.42Å; F87-K98 HydrophobicContact CE1-CG 3.73Å; F87-K98 HydrophobicContact CG-CG 4.3Å; F87-K98 HydrophobicContact CZ-CG 4.12Å; F87-E101 HydrophobicContact CE1-CB 3.83Å; F87-E101 HydrophobicContact CE1-CG 4.49Å; F87-E101 HydrophobicContact CZ-CB 4.38Å; F87-M102 HydrophobicContact CE2-CG 4.41Å; F87-M102 HydrophobicContact CZ-CG 3.74Å; F87-M102 HydrophobicContact CZ-SD 4.48Å |
| 88 | S | 84.9 | Confident | 83.8 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -31.7 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | Q84 D85 K86 L90 | Q84-S88 VanDerWaalsContact O-CB 3.25Å; Q84-S88 WeakPolarHBondContact O-CB 3.31Å; Q84-S88 PolarHBondContact O-N 3.36Å; Q84-S88 PolarHBondContact O-OG 3.36Å; D85-S88 PolarHBondContact O-N 2.97Å; K86-S88 VanDerWaalsContact C-N 3.34Å; K86-S88 PolarHBondContact O-N 3.2Å; S88-L90 VanDerWaalsContact C-N 3.31Å |
| 89 | S | 81.5 | Confident | 83.8 | Confident | 106 Ų | 106 | 71.5 Ų | 71.5 | 74% | 0.741 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -73.6 | -17.9 | 175.1 | -172.7 | 0 | 0 | 0 | 0 | 113.7 | D85 K86 F87 K91 | D85-S89 PolarHBondContact O-N 2.94Å; K86-S89 WeakPolarHBondContact O-CB 3.24Å; K86-S89 PolarHBondContact O-N 3.46Å; F87-S89 PolarHBondContact O-N 3.25Å; S89-K91 PolarHBondContact O-N 2.99Å |
| 90 | L | 79.8 | Confident | 83.9 | Confident | 52 Ų | 52 | 76.2 Ų | 76.2 | 27% | 0.272 | 44% | 0.443 | S | S | . | . | trans | -95.7 | 34.4 | -170.4 | -77.3 | 161 | 0 | 0 | 0 | 113.4 | K86 F87 S88 G92 A94 V97 | K86-L90 VanDerWaalsContact O-CD1 3.32Å; K86-L90 WeakPolarHBondContact O-CD1 3.38Å; K86-L90 WeakPolarHBondContact O-CG 3.33Å; K86-L90 PolarHBondContact O-N 2.93Å; F87-L90 HydrophobicContact CD1-CD1 4.32Å; F87-L90 PolarHBondContact O-N 2.92Å; F87-L90 VanDerWaalsContact O-N 3.08Å; S88-L90 VanDerWaalsContact C-N 3.31Å; L90-G92 PolarHBondContact O-N 3.38Å; L90-A94 HydrophobicContact CB-CB 4.04Å; L90-A94 HydrophobicContact CD2-CB 3.44Å; L90-A94 VanDerWaalsContact CD2-CB 3.44Å; L90-A94 HydrophobicContact CG-CB 4.32Å; L90-V97 HydrophobicContact CD1-CG1 4.04Å; L90-V97 HydrophobicContact CD2-CB 4.07Å; L90-V97 HydrophobicContact CD2-CG1 3.8Å | ||
| 91 | K | 69.6 | Low | 84 | Confident | 188 Ų | 188 | 76.4 Ų | 76.4 | 82% | 0.817 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 129.9 | -176.3 | -81.2 | 179.7 | 179.1 | 175.3 | 0 | 113.2 | S89 | S89-K91 PolarHBondContact O-N 2.99Š|
| 92 | G | 61.4 | Low | 84.2 | Confident | 79 Ų | 79 | 72.1 Ų | 72.1 | 81% | 0.814 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.8 | -34.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | L90 | L90-G92 PolarHBondContact O-N 3.38Š|
| 93 | T | 58.1 | Low | 84.7 | Confident | 137 Ų | 137 | 68.9 Ų | 68.9 | 84% | 0.84 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.6 | 5.4 | -172.6 | 17 | 0 | 0 | 0 | 0 | 115.1 | ||
| 94 | A | 77.8 | Confident | 85 | Confident | 23 Ų | 23 | 73.7 Ų | 73.7 | 19% | 0.19 | 41% | 0.411 | C | S | . | . | trans | -105.1 | 38.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | L90 D96 V97 K98 | L90-A94 HydrophobicContact CB-CB 4.04Å; L90-A94 HydrophobicContact CD2-CB 3.44Å; L90-A94 VanDerWaalsContact CD2-CB 3.44Å; L90-A94 HydrophobicContact CG-CB 4.32Å; A94-D96 PolarHBondContact O-N 2.98Å; A94-V97 HydrophobicContact CB-CB 4.14Å; A94-V97 HydrophobicContact CB-CG2 4.14Å; A94-V97 PolarHBondContact O-N 3.35Å; A94-K98 PolarHBondContact O-N 3.39Å | ||
| 95 | V | 84.2 | Confident | 85.3 | Confident | 77 Ų | 77 | 69.5 Ų | 69.5 | 47% | 0.467 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L69 V97 K98 I99 | L69-V95 HydrophobicContact CD2-CG1 3.74Å; V95-V97 PolarHBondContact O-N 2.98Å; V95-K98 WeakPolarHBondContact O-CB 3.15Å; V95-K98 PolarHBondContact O-N 3.49Å; V95-I99 HydrophobicContact CG1-CD1 3.74Å; V95-I99 HydrophobicContact CG1-CG1 4.42Å; V95-I99 WeakPolarHBondContact O-CD1 3.25Å; V95-I99 VanDerWaalsContact O-CG1 3.31Å; V95-I99 WeakPolarHBondContact O-CG1 3.17Å; V95-I99 PolarHBondContact O-N 3.37Å |
| 96 | D | 88.1 | Confident | 85.7 | Confident | 118 Ų | 118 | 63.7 Ų | 63.7 | 63% | 0.631 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 178.1 | -57.7 | -35.1 | 0 | 0 | 0 | 112.1 | A94 K98 I99 Q100 | A94-D96 PolarHBondContact O-N 2.98Å; D96-K98 VanDerWaalsContact C-N 3.34Å; D96-I99 PolarHBondContact O-N 2.92Å; D96-Q100 WeakPolarHBondContact O-CB 3.42Å; D96-Q100 PolarHBondContact O-N 2.93Å |
| 97 | V | 88.9 | Confident | 86.2 | Confident | 60 Ų | 60 | 63.3 Ų | 63.3 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | L90 A94 V95 Q100 E101 | L90-V97 HydrophobicContact CD1-CG1 4.04Å; L90-V97 HydrophobicContact CD2-CB 4.07Å; L90-V97 HydrophobicContact CD2-CG1 3.8Å; A94-V97 HydrophobicContact CB-CB 4.14Å; A94-V97 HydrophobicContact CB-CG2 4.14Å; A94-V97 PolarHBondContact O-N 3.35Å; V95-V97 PolarHBondContact O-N 2.98Å; V97-Q100 WeakPolarHBondContact O-CB 3.09Å; V97-Q100 PolarHBondContact O-N 2.97Å; V97-E101 PolarHBondContact O-N 2.87Å |
| 98 | K | 90.9 | Very high | 86.6 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63 | -46.4 | 175.3 | -175.1 | -179.7 | 175 | -174.1 | 0 | 111.1 | E73 F87 A94 V95 D96 Q100 E101 M102 | E73-K98 VanDerWaalsContact OE1-CE 3.23Å; E73-K98 WeakPolarHBondContact OE1-CE 3.49Å; E73-K98 IonicContact OE1-NZ 3.05Å; E73-K98 PolarHBondContact OE1-NZ 3.32Å; E73-K98 VanDerWaalsContact OE1-NZ 3.16Å; E73-K98 WeakPolarHBondContact OE2-CE 3.5Å; E73-K98 IonicContact OE2-NZ 3.02Å; E73-K98 PolarHBondContact OE2-NZ 3.35Å; F87-K98 HydrophobicContact CD1-CB 4.48Å; F87-K98 HydrophobicContact CD1-CG 3.82Å; F87-K98 HydrophobicContact CE1-CB 4.42Å; F87-K98 HydrophobicContact CE1-CG 3.73Å; F87-K98 HydrophobicContact CG-CG 4.3Å; F87-K98 HydrophobicContact CZ-CG 4.12Å; A94-K98 PolarHBondContact O-N 3.39Å; V95-K98 WeakPolarHBondContact O-CB 3.15Å; V95-K98 PolarHBondContact O-N 3.49Å; D96-K98 VanDerWaalsContact C-N 3.34Å; K98-Q100 VanDerWaalsContact C-N 3.29Å; K98-Q100 PolarHBondContact O-N 3.33Å; K98-E101 PolarHBondContact O-N 2.9Å; K98-M102 HydrophobicContact CG-SD 3.99Å; K98-M102 WeakPolarHBondContact O-CG 3.46Å; K98-M102 PolarHBondContact O-N 3.08Å |
| 99 | I | 93.5 | Very high | 87 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 173.9 | -70.7 | 159.1 | 0 | 0 | 0 | 110.1 | L69 V95 D96 E101 M102 V103 Q117 L120 M121 | L69-I99 HydrophobicContact CD1-CG1 4.19Å; V95-I99 HydrophobicContact CG1-CD1 3.74Å; V95-I99 HydrophobicContact CG1-CG1 4.42Å; V95-I99 WeakPolarHBondContact O-CD1 3.25Å; V95-I99 VanDerWaalsContact O-CG1 3.31Å; V95-I99 WeakPolarHBondContact O-CG1 3.17Å; V95-I99 PolarHBondContact O-N 3.37Å; D96-I99 PolarHBondContact O-N 2.92Å; I99-E101 PolarHBondContact O-N 3.34Å; I99-M102 PolarHBondContact O-N 3.06Å; I99-V103 HydrophobicContact CG2-CG2 4.21Å; I99-V103 VanDerWaalsContact O-CG2 3.29Å; I99-V103 WeakPolarHBondContact O-CG2 3.48Å; I99-V103 PolarHBondContact O-N 3.24Å; I99-Q117 HydrophobicContact CG2-CB 4.26Å; I99-Q117 HydrophobicContact CG2-CG 4.44Å; I99-L120 HydrophobicContact CG2-CB 3.96Å; I99-M121 HydrophobicContact CD1-CG 3.6Å; I99-M121 HydrophobicContact CD1-SD 4.19Å; I99-M121 HydrophobicContact CG1-CG 4.49Å; I99-M121 HydrophobicContact CG2-CG 4.47Å |
| 100 | Q | 93.8 | Very high | 87.7 | Confident | 116 Ų | 116 | 70 Ų | 70 | 54% | 0.542 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 178.5 | -173.7 | -178.6 | -2.3 | 0 | 0 | 112.6 | D96 V97 K98 M102 V103 K104 | D96-Q100 WeakPolarHBondContact O-CB 3.42Å; D96-Q100 PolarHBondContact O-N 2.93Å; V97-Q100 WeakPolarHBondContact O-CB 3.09Å; V97-Q100 PolarHBondContact O-N 2.97Å; K98-Q100 VanDerWaalsContact C-N 3.29Å; K98-Q100 PolarHBondContact O-N 3.33Å; Q100-M102 VanDerWaalsContact C-N 3.32Å; Q100-M102 PolarHBondContact O-N 2.9Å; Q100-V103 PolarHBondContact O-N 3.06Å; Q100-K104 WeakPolarHBondContact O-CB 3.46Å; Q100-K104 PolarHBondContact O-N 2.86Å |
| 101 | E | 94.1 | Very high | 88.4 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 19% | 0.187 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.4 | -34.6 | 175.9 | -71.8 | -68.1 | 116.4 | 0 | 0 | 111.9 | L83 K86 F87 V97 K98 I99 K104 L105 | L83-E101 HydrophobicContact CD2-CB 4.41Å; K86-E101 IonicContact NZ-OE2 2.65Å; K86-E101 PolarHBondContact NZ-OE2 3.27Å; F87-E101 HydrophobicContact CE1-CB 3.83Å; F87-E101 HydrophobicContact CE1-CG 4.49Å; F87-E101 HydrophobicContact CZ-CB 4.38Å; V97-E101 PolarHBondContact O-N 2.87Å; K98-E101 PolarHBondContact O-N 2.9Å; I99-E101 PolarHBondContact O-N 3.34Å; E101-K104 PolarHBondContact O-N 3.47Å; E101-L105 PolarHBondContact O-N 3.19Å |
| 102 | M | 95.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.8 | -39.6 | 175.4 | -65.5 | 167.6 | 77.4 | 0 | 0 | 112 | L69 L72 E73 C76 F87 K98 I99 Q100 K104 L105 G106 L120 | L69-M102 HydrophobicContact CD1-CE 4.33Å; L69-M102 HydrophobicContact CD1-SD 4.04Å; L72-M102 HydrophobicContact CB-CE 3.31Å; E73-M102 VanDerWaalsContact N-CE 3.35Å; C76-M102 HydrophobicContact CB-CG 4.45Å; F87-M102 HydrophobicContact CE2-CG 4.41Å; F87-M102 HydrophobicContact CZ-CG 3.74Å; F87-M102 HydrophobicContact CZ-SD 4.48Å; K98-M102 HydrophobicContact CG-SD 3.99Å; K98-M102 WeakPolarHBondContact O-CG 3.46Å; K98-M102 PolarHBondContact O-N 3.08Å; I99-M102 PolarHBondContact O-N 3.06Å; Q100-M102 VanDerWaalsContact C-N 3.32Å; Q100-M102 PolarHBondContact O-N 2.9Å; M102-K104 VanDerWaalsContact C-N 3.34Å; M102-L105 PolarHBondContact O-N 3.36Å; M102-G106 PolarHBondContact O-N 2.92Å; M102-L120 HydrophobicContact CB-CD1 4.06Å; M102-L120 HydrophobicContact CB-CG 4.21Å; M102-L120 HydrophobicContact CE-CD1 4.21Å |
| 103 | V | 96.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 172.1 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | I99 Q100 L105 G106 H107 P114 Q117 L120 | I99-V103 HydrophobicContact CG2-CG2 4.21Å; I99-V103 VanDerWaalsContact O-CG2 3.29Å; I99-V103 WeakPolarHBondContact O-CG2 3.48Å; I99-V103 PolarHBondContact O-N 3.24Å; Q100-V103 PolarHBondContact O-N 3.06Å; V103-L105 PolarHBondContact O-N 3.35Å; V103-G106 CarbonylContact O-C 3.6Å; V103-G106 PolarHBondContact O-N 2.65Å; V103-H107 WeakPolarHBondContact O-CB 3.34Å; V103-H107 PolarHBondContact O-N 2.69Å; V103-P114 WeakPolarHBondContact CG1-O 3.29Å; V103-Q117 HydrophobicContact CG2-CG 4.18Å; V103-L120 HydrophobicContact CG2-CB 4.29Å; V103-L120 HydrophobicContact CG2-CD2 3.71Å; V103-L120 HydrophobicContact CG2-CG 3.89Å |
| 104 | K | 95.9 | Very high | 92.8 | Very high | 107 Ų | 107 | 57 Ų | 57 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 175.8 | -175.9 | -178.2 | 177.6 | -178.7 | 0 | 111.5 | Q100 E101 M102 G106 H107 D108 | Q100-K104 WeakPolarHBondContact O-CB 3.46Å; Q100-K104 PolarHBondContact O-N 2.86Å; E101-K104 PolarHBondContact O-N 3.47Å; M102-K104 VanDerWaalsContact C-N 3.34Å; K104-G106 VanDerWaalsContact C-N 3.34Å; K104-G106 PolarHBondContact O-N 2.8Å; K104-H107 PolarHBondContact O-N 2.91Å; K104-D108 VanDerWaalsContact O-CG 3.25Å; K104-D108 PolarHBondContact O-N 3.48Å |
| 105 | L | 95.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 174.4 | 177.7 | 66.9 | 0 | 0 | 0 | 110.9 | C76 C80 L83 E101 M102 V103 H107 D108 L109 | C76-L105 HydrophobicContact CB-CD2 3.75Å; C80-L105 HydrophobicContact CB-CD1 3.88Å; C80-L105 HydrophobicContact CB-CD2 4.17Å; L83-L105 HydrophobicContact CD1-CB 4.36Å; L83-L105 HydrophobicContact CD1-CD2 3.65Å; L83-L105 HydrophobicContact CD1-CG 4.48Å; E101-L105 PolarHBondContact O-N 3.19Å; M102-L105 PolarHBondContact O-N 3.36Å; V103-L105 PolarHBondContact O-N 3.35Å; L105-H107 VanDerWaalsContact C-N 3.26Å; L105-H107 PolarHBondContact O-N 2.87Å; L105-D108 PolarHBondContact O-N 2.75Å; L105-L109 HydrophobicContact CD1-CD1 3.8Å; L105-L109 HydrophobicContact CD1-CG 4.05Å; L105-L109 HydrophobicContact CD2-CD1 4.39Å; L105-L109 HydrophobicContact CG-CD1 3.79Å; L105-L109 HydrophobicContact CG-CG 4.36Å; L105-L109 WeakPolarHBondContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CG 3.46Å; L105-L109 PolarHBondContact O-N 2.74Å |
| 106 | G | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.1 | -39 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M102 V103 K104 L109 M110 L111 C112 | M102-G106 PolarHBondContact O-N 2.92Å; V103-G106 CarbonylContact O-C 3.6Å; V103-G106 PolarHBondContact O-N 2.65Å; K104-G106 VanDerWaalsContact C-N 3.34Å; K104-G106 PolarHBondContact O-N 2.8Å; G106-L109 CarbonylContact O-C 3.58Å; G106-L109 PolarHBondContact O-N 3.34Å; G106-M110 PolarHBondContact O-N 3.1Å; G106-L111 PolarHBondContact O-N 3.31Å; G106-C112 VanDerWaalsContact C-SG 3.56Å; G106-C112 PolarHBondContact O-N 3.23Å |
| 107 | H | 96.5 | Very high | 94.3 | Very high | 85 Ų | 85 | 58.8 Ų | 58.8 | 39% | 0.394 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.2 | -46.8 | 175.8 | 179.9 | 61 | 0 | 0 | 0 | 112.9 | V103 K104 L105 L109 M110 C112 | V103-H107 WeakPolarHBondContact O-CB 3.34Å; V103-H107 PolarHBondContact O-N 2.69Å; K104-H107 PolarHBondContact O-N 2.91Å; L105-H107 VanDerWaalsContact C-N 3.26Å; L105-H107 PolarHBondContact O-N 2.87Å; H107-L109 PolarHBondContact O-N 2.78Å; H107-M110 WeakPolarHBondContact O-CA 3.35Å; H107-M110 PolarHBondContact O-N 3.37Å; H107-C112 WeakPolarHBondContact CA-O 3.23Å; H107-C112 PolarHBondContact ND1-O 3.37Å |
| 108 | D | 95.1 | Very high | 94.6 | Very high | 106 Ų | 106 | 59.6 Ų | 59.6 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.5 | -31.3 | 177.6 | -68.2 | -17.2 | 0 | 0 | 0 | 111.3 | K104 L105 M110 | K104-D108 VanDerWaalsContact O-CG 3.25Å; K104-D108 PolarHBondContact O-N 3.48Å; L105-D108 PolarHBondContact O-N 2.75Å; D108-M110 VanDerWaalsContact C-N 3.33Å |
| 109 | L | 94.6 | Very high | 94.9 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 2.7 | 174.8 | -62.9 | 177.2 | 0 | 0 | 0 | 114.1 | V79 L105 G106 H107 L111 L136 M139 | V79-L109 HydrophobicContact CG1-CD1 3.81Å; L105-L109 HydrophobicContact CD1-CD1 3.8Å; L105-L109 HydrophobicContact CD1-CG 4.05Å; L105-L109 HydrophobicContact CD2-CD1 4.39Å; L105-L109 HydrophobicContact CG-CD1 3.79Å; L105-L109 HydrophobicContact CG-CG 4.36Å; L105-L109 WeakPolarHBondContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CG 3.46Å; L105-L109 PolarHBondContact O-N 2.74Å; G106-L109 CarbonylContact O-C 3.58Å; G106-L109 PolarHBondContact O-N 3.34Å; H107-L109 PolarHBondContact O-N 2.78Å; L109-L111 HydrophobicContact CB-CD1 4.06Å; L109-L111 HydrophobicContact CB-CG 3.85Å; L109-L111 HydrophobicContact CD1-CD1 4.25Å; L109-L111 PolarHBondContact O-N 3.17Å; L109-L136 HydrophobicContact CD1-CD1 4.12Å; L109-M139 HydrophobicContact CB-CE 4.14Å; L109-M139 HydrophobicContact CD1-CE 4.25Å; L109-M139 HydrophobicContact CD1-SD 3.68Å; L109-M139 HydrophobicContact CD2-CE 3.94Å; L109-M139 HydrophobicContact CD2-SD 3.61Å; L109-M139 HydrophobicContact CG-CE 4.33Å; L109-M139 HydrophobicContact CG-SD 4.13Å |
| 110 | M | 95.9 | Very high | 94.9 | Very high | 176 Ų | 176 | 58.1 Ų | 58.1 | 87% | 0.867 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 28.9 | -177.3 | -53.9 | -175.7 | 174.9 | 0 | 0 | 114.8 | G106 H107 D108 | G106-M110 PolarHBondContact O-N 3.1Å; H107-M110 WeakPolarHBondContact O-CA 3.35Å; H107-M110 PolarHBondContact O-N 3.37Å; D108-M110 VanDerWaalsContact C-N 3.33Å |
| 111 | L | 94.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 15% | 0.152 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -94 | -25.1 | 178.6 | -54.8 | -177.8 | 0 | 0 | 0 | 113 | G106 L109 F132 Q135 L136 | G106-L111 PolarHBondContact O-N 3.31Å; L109-L111 HydrophobicContact CB-CD1 4.06Å; L109-L111 HydrophobicContact CB-CG 3.85Å; L109-L111 HydrophobicContact CD1-CD1 4.25Å; L109-L111 PolarHBondContact O-N 3.17Å; L111-F132 HydrophobicContact CB-CD2 3.76Å; L111-F132 HydrophobicContact CB-CE2 3.77Å; L111-F132 HydrophobicContact CD1-CE2 4.32Å; L111-Q135 HydrophobicContact CD2-CB 3.7Å; L111-Q135 HydrophobicContact CD2-CG 4.46Å; L111-L136 HydrophobicContact CD1-CB 4.23Å; L111-L136 HydrophobicContact CD1-CD1 3.9Å |
| 112 | C | 95.7 | Very high | 94.9 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 9% | 0.088 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -148.9 | 170.6 | 177.1 | 70.5 | 0 | 0 | 0 | 0 | 112.3 | G106 H107 D116 L119 F132 | G106-C112 VanDerWaalsContact C-SG 3.56Å; G106-C112 PolarHBondContact O-N 3.23Å; H107-C112 WeakPolarHBondContact CA-O 3.23Å; H107-C112 PolarHBondContact ND1-O 3.37Å; C112-D116 HydrophobicContact CB-CB 3.92Å; C112-L119 HydrophobicContact CB-CD2 3.64Å; C112-F132 HydrophobicContact CB-CD2 4.35Å; C112-F132 HydrophobicContact CB-CE2 4.33Å |
| 113 | T | 93.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 61.6 Ų | 61.6 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | trans | -87.2 | 162.6 | 173.4 | 68.4 | 0 | 0 | 0 | 0 | 111.3 | D115 D116 | T113-D115 PolarHBondContact O-N 3Å; T113-D115 VanDerWaalsContact O-N 3.17Å; T113-D116 WeakPolarHBondContact CB-OD2 3.33Å; T113-D116 PolarHBondContact N-OD2 3Å; T113-D116 PolarHBondContact O-N 3.49Å; T113-D116 PolarHBondContact OG1-OD2 2.96Å | ||
| 114 | P | 91.9 | Very high | 94.7 | Very high | 72 Ų | 72 | 64.1 Ų | 64.1 | 47% | 0.468 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22 | 179.6 | -23.8 | 35 | 0 | 0 | 0 | 114.6 | V103 | V103-P114 WeakPolarHBondContact CG1-O 3.29Š|
| 115 | D | 92.6 | Very high | 94.6 | Very high | 140 Ų | 140 | 61.7 Ų | 61.7 | 75% | 0.749 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 2.6 | -177.1 | -59.8 | -52.1 | 0 | 0 | 0 | 113 | T113 Q117 | T113-D115 PolarHBondContact O-N 3Å; T113-D115 VanDerWaalsContact O-N 3.17Å; D115-Q117 PolarHBondContact O-N 3.24Å |
| 116 | D | 94.1 | Very high | 94.6 | Very high | 20 Ų | 20 | 63 Ų | 63 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 44.2 | -178.3 | -80.8 | -42.1 | 0 | 0 | 0 | 113.2 | C112 T113 D118 L119 K128 | C112-D116 HydrophobicContact CB-CB 3.92Å; T113-D116 WeakPolarHBondContact CB-OD2 3.33Å; T113-D116 PolarHBondContact N-OD2 3Å; T113-D116 PolarHBondContact O-N 3.49Å; T113-D116 PolarHBondContact OG1-OD2 2.96Å; D116-D118 VanDerWaalsContact C-N 3.27Å; D116-D118 PolarHBondContact O-N 3.37Å; D116-L119 HydrophobicContact CB-CB 4.05Å; D116-L119 HydrophobicContact CB-CD2 4.36Å; D116-L119 WeakPolarHBondContact O-CB 3.43Å; D116-L119 PolarHBondContact O-N 3.34Å; D116-K128 IonicContact OD1-NZ 2.63Å; D116-K128 PolarHBondContact OD1-NZ 3.41Å; D116-K128 IonicContact OD2-NZ 2.74Å |
| 117 | Q | 94.9 | Very high | 94.6 | Very high | 95 Ų | 95 | 67 Ų | 67 | 44% | 0.444 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63 | -35.6 | 176.4 | -65.3 | 174.2 | 20.4 | 0 | 0 | 112 | I99 V103 D115 L119 L120 M121 | I99-Q117 HydrophobicContact CG2-CB 4.26Å; I99-Q117 HydrophobicContact CG2-CG 4.44Å; V103-Q117 HydrophobicContact CG2-CG 4.18Å; D115-Q117 PolarHBondContact O-N 3.24Å; Q117-L119 PolarHBondContact O-N 3.01Å; Q117-L120 PolarHBondContact O-N 2.92Å; Q117-L120 VanDerWaalsContact O-N 3.08Å; Q117-M121 WeakPolarHBondContact O-CG 3.24Å; Q117-M121 PolarHBondContact O-N 3Å |
| 118 | D | 95.1 | Very high | 94.5 | Very high | 76 Ų | 76 | 66 Ų | 66 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.1 | -26 | 177.6 | -78 | -25.4 | 0 | 0 | 0 | 112.8 | D116 M121 G122 R123 E124 | D116-D118 VanDerWaalsContact C-N 3.27Å; D116-D118 PolarHBondContact O-N 3.37Å; D118-M121 VanDerWaalsContact OD1-CE 3.25Å; D118-M121 WeakPolarHBondContact OD1-CE 3.36Å; D118-G122 PolarHBondContact O-N 2.87Å; D118-G122 VanDerWaalsContact O-N 3.08Å; D118-R123 HydrophobicContact CB-CB 4.03Å; D118-R123 PolarHBondContact O-N 2.96Å; D118-E124 HydrophobicContact CB-CG 3.94Å; D118-E124 PolarHBondContact O-N 3.5Å |
| 119 | L | 96 | Very high | 94.6 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.1 | -47 | 172.5 | -172.1 | 67.1 | 0 | 0 | 0 | 110.8 | R68 C112 D116 Q117 G122 E124 K128 Q129 F132 | R68-L119 PolarHBondContact NH2-O 3.44Å; C112-L119 HydrophobicContact CB-CD2 3.64Å; D116-L119 HydrophobicContact CB-CB 4.05Å; D116-L119 HydrophobicContact CB-CD2 4.36Å; D116-L119 WeakPolarHBondContact O-CB 3.43Å; D116-L119 PolarHBondContact O-N 3.34Å; Q117-L119 PolarHBondContact O-N 3.01Å; L119-G122 PolarHBondContact O-N 2.97Å; L119-E124 HydrophobicContact CB-CG 4.14Å; L119-E124 HydrophobicContact CD1-CB 4.11Å; L119-E124 HydrophobicContact CD1-CG 4.34Å; L119-K128 HydrophobicContact CD1-CB 4.25Å; L119-K128 HydrophobicContact CD1-CD 4.15Å; L119-K128 HydrophobicContact CD1-CG 3.76Å; L119-Q129 HydrophobicContact CD1-CB 4.42Å; L119-Q129 HydrophobicContact CD1-CG 4.03Å; L119-F132 HydrophobicContact CD1-CB 4.39Å; L119-F132 HydrophobicContact CD2-CB 3.98Å; L119-F132 HydrophobicContact CD2-CD2 3.68Å; L119-F132 HydrophobicContact CD2-CE2 4.34Å; L119-F132 HydrophobicContact CD2-CG 3.84Å; L119-F132 HydrophobicContact CG-CB 4.36Å; L119-F132 HydrophobicContact CG-CG 4.34Å |
| 120 | L | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -79.7 | -21.4 | -179.1 | -76.5 | -61.6 | 0 | 0 | 0 | 112.2 | R68 L72 I99 M102 V103 Q117 F132 | R68-L120 PolarHBondContact NH1-O 2.93Å; L72-L120 HydrophobicContact CD1-CD1 4.17Å; I99-L120 HydrophobicContact CG2-CB 3.96Å; M102-L120 HydrophobicContact CB-CD1 4.06Å; M102-L120 HydrophobicContact CB-CG 4.21Å; M102-L120 HydrophobicContact CE-CD1 4.21Å; V103-L120 HydrophobicContact CG2-CB 4.29Å; V103-L120 HydrophobicContact CG2-CD2 3.71Å; V103-L120 HydrophobicContact CG2-CG 3.89Å; Q117-L120 PolarHBondContact O-N 2.92Å; Q117-L120 VanDerWaalsContact O-N 3.08Å; L120-F132 HydrophobicContact CD1-CE1 3.77Å; L120-F132 HydrophobicContact CD1-CZ 3.89Å; L120-F132 HydrophobicContact CD2-CZ 4.29Å |
| 121 | M | 93.3 | Very high | 94.8 | Very high | 53 Ų | 53 | 56 Ų | 56 | 26% | 0.261 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -81.8 | -16.6 | 172.5 | -73.9 | -153.5 | -72.4 | 0 | 0 | 114.4 | P64 I99 Q117 D118 R123 | P64-M121 WeakPolarHBondContact CA-O 3.46Å; P64-M121 VanDerWaalsContact CB-O 3.26Å; P64-M121 WeakPolarHBondContact CB-O 3.06Å; P64-M121 WeakPolarHBondContact CG-O 3.19Å; I99-M121 HydrophobicContact CD1-CG 3.6Å; I99-M121 HydrophobicContact CD1-SD 4.19Å; I99-M121 HydrophobicContact CG1-CG 4.49Å; I99-M121 HydrophobicContact CG2-CG 4.47Å; Q117-M121 WeakPolarHBondContact O-CG 3.24Å; Q117-M121 PolarHBondContact O-N 3Å; D118-M121 VanDerWaalsContact OD1-CE 3.25Å; D118-M121 WeakPolarHBondContact OD1-CE 3.36Å; M121-R123 HydrophobicContact CB-CG 4.21Å |
| 122 | G | 94.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 29 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | P64 R68 D118 L119 Q129 | P64-G122 WeakPolarHBondContact CD-O 3.13Å; P64-G122 WeakPolarHBondContact CG-O 3.36Å; R68-G122 VanDerWaalsContact CZ-CA 3.43Å; D118-G122 PolarHBondContact O-N 2.87Å; D118-G122 VanDerWaalsContact O-N 3.08Å; L119-G122 PolarHBondContact O-N 2.97Å; G122-Q129 VanDerWaalsContact CA-OE1 3.29Å; G122-Q129 PolarHBondContact O-NE2 3.45Å |
| 123 | R | 93.8 | Very high | 95.1 | Very high | 170 Ų | 170 | 54.3 Ų | 54.3 | 64% | 0.642 | 28% | 0.276 | S | S | * | . | trans | -104.3 | -14.6 | 178.3 | -62.5 | -179.1 | -176.2 | -87.3 | 0.1 | 113.1 | P64 D118 M121 | P64-R123 HydrophobicContact CG-CG 4.11Å; D118-R123 HydrophobicContact CB-CB 4.03Å; D118-R123 PolarHBondContact O-N 2.96Å; M121-R123 HydrophobicContact CB-CG 4.21Å | ||
| 124 | E | 94.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 28% | 0.276 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -71.5 | 170.9 | 174.6 | -90.1 | -69.5 | -172.1 | 0 | 0 | 113.8 | D118 L119 K128 Q129 | D118-E124 HydrophobicContact CB-CG 3.94Å; D118-E124 PolarHBondContact O-N 3.5Å; L119-E124 HydrophobicContact CB-CG 4.14Å; L119-E124 HydrophobicContact CD1-CB 4.11Å; L119-E124 HydrophobicContact CD1-CG 4.34Å; E124-K128 HydrophobicContact CG-CD 4.38Å; E124-K128 IonicContact OE1-NZ 3.69Å; E124-K128 PolarHBondContact OE1-NZ 3.31Å; E124-Q129 HydrophobicContact CB-CG 4.02Å; E124-Q129 PolarHBondContact O-NE2 3.1Å |
| 125 | C | 94 | Very high | 95.4 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 38% | 0.378 | 26% | 0.26 | S | S | . | . | trans | -61.8 | 137.8 | 176 | 70.1 | 0 | 0 | 0 | 0 | 111.5 | Q127 K128 Q129 | C125-Q127 PolarHBondContact O-N 3.02Å; C125-Q127 VanDerWaalsContact O-N 3.12Å; C125-K128 PolarHBondContact O-N 3.15Å; C125-K128 VanDerWaalsContact O-N 3.09Å; C125-K128 WeakPolarHBondContact SG-CB 3.25Å; C125-Q129 PolarHBondContact O-N 3.49Å; C125-Q129 VanDerWaalsContact O-N 3.16Å | ||
| 126 | P | 95.3 | Very high | 95.6 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -54 | -35.1 | -176.5 | -31 | 37.1 | 0 | 0 | 0 | 114.4 | V27 L58 C62 K128 Q129 L130 | V27-P126 HydrophobicContact CG1-CB 3.55Å; L58-P126 HydrophobicContact CD1-CB 4.16Å; C62-P126 HydrophobicContact CB-CB 4.17Å; C62-P126 HydrophobicContact CB-CG 4.44Å; P126-K128 PolarHBondContact O-N 3.21Å; P126-Q129 PolarHBondContact O-N 3.35Å; P126-L130 WeakPolarHBondContact O-CB 3.4Å; P126-L130 WeakPolarHBondContact O-CG 3.25Å; P126-L130 PolarHBondContact O-N 3.08Å |
| 127 | Q | 95.3 | Very high | 95.7 | Very high | 85 Ų | 85 | 45.4 Ų | 45.4 | 40% | 0.397 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59 | -48.6 | 178.1 | -62.4 | 84.6 | -11.8 | 0 | 0 | 111.6 | V27 C125 L130 Q131 | V27-Q127 VanDerWaalsContact CG2-CD 3.48Å; V27-Q127 HydrophobicContact CG2-CG 3.57Å; C125-Q127 PolarHBondContact O-N 3.02Å; C125-Q127 VanDerWaalsContact O-N 3.12Å; Q127-L130 PolarHBondContact O-N 3.43Å; Q127-Q131 WeakPolarHBondContact O-CB 3.43Å; Q127-Q131 PolarHBondContact O-N 3.5Å |
| 128 | K | 95.3 | Very high | 95.6 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.1 | -40.4 | -180 | -170.3 | -175.9 | 170.8 | -173.4 | 0 | 110.9 | D116 L119 E124 C125 P126 Q131 F132 | D116-K128 IonicContact OD1-NZ 2.63Å; D116-K128 PolarHBondContact OD1-NZ 3.41Å; D116-K128 IonicContact OD2-NZ 2.74Å; L119-K128 HydrophobicContact CD1-CB 4.25Å; L119-K128 HydrophobicContact CD1-CD 4.15Å; L119-K128 HydrophobicContact CD1-CG 3.76Å; E124-K128 HydrophobicContact CG-CD 4.38Å; E124-K128 IonicContact OE1-NZ 3.69Å; E124-K128 PolarHBondContact OE1-NZ 3.31Å; C125-K128 PolarHBondContact O-N 3.15Å; C125-K128 VanDerWaalsContact O-N 3.09Å; C125-K128 WeakPolarHBondContact SG-CB 3.25Å; P126-K128 PolarHBondContact O-N 3.21Å; K128-Q131 PolarHBondContact O-N 3.25Å; K128-F132 PolarHBondContact O-N 2.6Å |
| 129 | Q | 97.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 176.3 | -64.6 | -169.6 | 50.4 | 0 | 0 | 112.4 | C62 L119 G122 E124 C125 P126 F132 M133 | C62-Q129 VanDerWaalsContact CA-OE1 3.3Å; C62-Q129 PolarHBondContact O-NE2 3.02Å; C62-Q129 PolarHBondContact O-OE1 2.93Å; C62-Q129 VanDerWaalsContact O-OE1 3.09Å; L119-Q129 HydrophobicContact CD1-CB 4.42Å; L119-Q129 HydrophobicContact CD1-CG 4.03Å; G122-Q129 VanDerWaalsContact CA-OE1 3.29Å; G122-Q129 PolarHBondContact O-NE2 3.45Å; E124-Q129 HydrophobicContact CB-CG 4.02Å; E124-Q129 PolarHBondContact O-NE2 3.1Å; C125-Q129 PolarHBondContact O-N 3.49Å; C125-Q129 VanDerWaalsContact O-N 3.16Å; P126-Q129 PolarHBondContact O-N 3.35Å; Q129-F132 PolarHBondContact O-N 3.38Å; Q129-M133 WeakPolarHBondContact O-CG 3.32Å; Q129-M133 PolarHBondContact O-N 2.79Å; Q129-M133 VanDerWaalsContact O-N 3.08Å |
| 130 | L | 97.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -40.9 | 179.8 | -68.8 | 169.4 | 0 | 0 | 0 | 111.4 | V27 A30 A31 V34 L58 L61 P126 Q127 F132 M133 D134 | V27-L130 HydrophobicContact CG1-CD1 3.83Å; V27-L130 WeakPolarHBondContact O-CD1 3.21Å; A30-L130 HydrophobicContact CB-CD1 4.02Å; A31-L130 HydrophobicContact CB-CD1 3.91Å; A31-L130 HydrophobicContact CB-CD2 3.97Å; V34-L130 HydrophobicContact CB-CD2 4.35Å; V34-L130 HydrophobicContact CG2-CB 4.48Å; V34-L130 HydrophobicContact CG2-CD2 4.28Å; L58-L130 HydrophobicContact CD1-CD1 4.05Å; L61-L130 HydrophobicContact CB-CD2 4.17Å; L61-L130 HydrophobicContact CD1-CD2 4.04Å; P126-L130 WeakPolarHBondContact O-CB 3.4Å; P126-L130 WeakPolarHBondContact O-CG 3.25Å; P126-L130 PolarHBondContact O-N 3.08Å; Q127-L130 PolarHBondContact O-N 3.43Å; L130-F132 VanDerWaalsContact C-N 3.33Å; L130-F132 PolarHBondContact O-N 3.11Å; L130-M133 PolarHBondContact O-N 2.89Å; L130-D134 VanDerWaalsContact O-CB 3.26Å; L130-D134 WeakPolarHBondContact O-CB 3.12Å; L130-D134 PolarHBondContact O-N 2.74Å |
| 131 | Q | 96.9 | Very high | 94.7 | Very high | 113 Ų | 113 | 46.4 Ų | 46.4 | 53% | 0.528 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 174.9 | -176.9 | 178.5 | 15.1 | 0 | 0 | 111.9 | Q127 K128 D134 Q135 | Q127-Q131 WeakPolarHBondContact O-CB 3.43Å; Q127-Q131 PolarHBondContact O-N 3.5Å; K128-Q131 PolarHBondContact O-N 3.25Å; Q131-D134 PolarHBondContact O-N 3.35Å; Q131-Q135 WeakPolarHBondContact O-CB 3.5Å; Q131-Q135 VanDerWaalsContact O-CG 3.29Å; Q131-Q135 WeakPolarHBondContact O-CG 3.26Å; Q131-Q135 PolarHBondContact O-N 2.9Å |
| 132 | F | 97.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 175.9 | 173.1 | -91.6 | 0 | 0 | 0 | 111.9 | L72 L111 C112 L119 L120 K128 Q129 L130 D134 Q135 L136 | L72-F132 HydrophobicContact CD2-CD1 4.48Å; L72-F132 HydrophobicContact CD2-CE1 4.15Å; L111-F132 HydrophobicContact CB-CD2 3.76Å; L111-F132 HydrophobicContact CB-CE2 3.77Å; L111-F132 HydrophobicContact CD1-CE2 4.32Å; C112-F132 HydrophobicContact CB-CD2 4.35Å; C112-F132 HydrophobicContact CB-CE2 4.33Å; L119-F132 HydrophobicContact CD1-CB 4.39Å; L119-F132 HydrophobicContact CD2-CB 3.98Å; L119-F132 HydrophobicContact CD2-CD2 3.68Å; L119-F132 HydrophobicContact CD2-CE2 4.34Å; L119-F132 HydrophobicContact CD2-CG 3.84Å; L119-F132 HydrophobicContact CG-CB 4.36Å; L119-F132 HydrophobicContact CG-CG 4.34Å; L120-F132 HydrophobicContact CD1-CE1 3.77Å; L120-F132 HydrophobicContact CD1-CZ 3.89Å; L120-F132 HydrophobicContact CD2-CZ 4.29Å; K128-F132 PolarHBondContact O-N 2.6Å; Q129-F132 PolarHBondContact O-N 3.38Å; L130-F132 VanDerWaalsContact C-N 3.33Å; L130-F132 PolarHBondContact O-N 3.11Å; F132-D134 VanDerWaalsContact C-N 3.31Å; F132-D134 PolarHBondContact O-N 2.88Å; F132-Q135 PolarHBondContact O-N 2.89Å; F132-L136 HydrophobicContact CE1-CD2 4.27Å; F132-L136 HydrophobicContact CZ-CD2 4.48Å; F132-L136 WeakPolarHBondContact O-CB 3.46Å; F132-L136 PolarHBondContact O-N 3.48Å |
| 133 | M | 97.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 178.1 | -67.8 | -174.1 | 80 | 0 | 0 | 111.8 | V34 L38 L61 I71 L72 M75 Q129 L130 L136 L137 | V34-M133 HydrophobicContact CG1-CB 3.96Å; L38-M133 HydrophobicContact CD1-CE 4.3Å; L61-M133 HydrophobicContact CB-SD 4.34Å; L61-M133 HydrophobicContact CD2-CE 3.91Å; L61-M133 HydrophobicContact CD2-SD 4.35Å; I71-M133 HydrophobicContact CG2-CE 3.85Å; L72-M133 HydrophobicContact CD2-CE 3.91Å; L72-M133 HydrophobicContact CD2-CG 3.76Å; L72-M133 HydrophobicContact CD2-SD 4.14Å; L72-M133 HydrophobicContact CG-CE 4.44Å; M75-M133 HydrophobicContact CE-CB 4.11Å; M75-M133 HydrophobicContact CE-CE 4.47Å; M75-M133 HydrophobicContact CE-CG 4.5Å; M75-M133 VanDerWaalsContact CE-O 3.27Å; M75-M133 WeakPolarHBondContact CE-O 3.41Å; M75-M133 HydrophobicContact SD-CE 3.8Å; Q129-M133 WeakPolarHBondContact O-CG 3.32Å; Q129-M133 PolarHBondContact O-N 2.79Å; Q129-M133 VanDerWaalsContact O-N 3.08Å; L130-M133 PolarHBondContact O-N 2.89Å; M133-L136 PolarHBondContact O-N 2.87Å; M133-L137 VanDerWaalsContact O-CG 3.3Å; M133-L137 WeakPolarHBondContact O-CG 3.36Å; M133-L137 PolarHBondContact O-N 3.49Å |
| 134 | D | 97.4 | Very high | 92.6 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 21% | 0.214 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -48.4 | 179.2 | -162.9 | 61.2 | 0 | 0 | 0 | 112.1 | V34 K37 L130 Q131 F132 L136 L137 D138 | V34-D134 HydrophobicContact CG2-CB 3.98Å; K37-D134 WeakPolarHBondContact CD-OD1 3.43Å; K37-D134 WeakPolarHBondContact CE-OD1 3.41Å; K37-D134 IonicContact NZ-OD1 2.79Å; K37-D134 PolarHBondContact NZ-OD1 2.74Å; K37-D134 IonicContact NZ-OD2 3.69Å; K37-D134 PolarHBondContact NZ-OD2 3.43Å; L130-D134 VanDerWaalsContact O-CB 3.26Å; L130-D134 WeakPolarHBondContact O-CB 3.12Å; L130-D134 PolarHBondContact O-N 2.74Å; Q131-D134 PolarHBondContact O-N 3.35Å; F132-D134 VanDerWaalsContact C-N 3.31Å; F132-D134 PolarHBondContact O-N 2.88Å; D134-L136 VanDerWaalsContact C-N 3.33Å; D134-L136 PolarHBondContact O-N 3.44Å; D134-L137 PolarHBondContact O-N 3.32Å; D134-D138 PolarHBondContact O-N 3.37Å |
| 135 | Q | 96.8 | Very high | 91.1 | Very high | 73 Ų | 73 | 46.8 Ų | 46.8 | 34% | 0.341 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 177.2 | -70.6 | 173.1 | -14.2 | 0 | 0 | 111.9 | L111 Q131 F132 D138 M139 | L111-Q135 HydrophobicContact CD2-CB 3.7Å; L111-Q135 HydrophobicContact CD2-CG 4.46Å; Q131-Q135 WeakPolarHBondContact O-CB 3.5Å; Q131-Q135 VanDerWaalsContact O-CG 3.29Å; Q131-Q135 WeakPolarHBondContact O-CG 3.26Å; Q131-Q135 PolarHBondContact O-N 2.9Å; F132-Q135 PolarHBondContact O-N 2.89Å; Q135-D138 PolarHBondContact O-N 2.87Å; Q135-M139 PolarHBondContact O-N 3.43Å |
| 136 | L | 95.6 | Very high | 89 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 176.2 | -167.3 | 63.5 | 0 | 0 | 0 | 111.2 | M75 V79 L109 L111 F132 M133 D134 M139 M140 | M75-L136 HydrophobicContact CB-CD2 3.62Å; M75-L136 HydrophobicContact CB-CG 4.22Å; M75-L136 HydrophobicContact CE-CB 3.84Å; M75-L136 HydrophobicContact CE-CD2 3.88Å; M75-L136 HydrophobicContact CE-CG 4.06Å; V79-L136 HydrophobicContact CB-CD1 4.35Å; V79-L136 HydrophobicContact CG2-CD1 3.76Å; V79-L136 HydrophobicContact CG2-CG 4.3Å; L109-L136 HydrophobicContact CD1-CD1 4.12Å; L111-L136 HydrophobicContact CD1-CB 4.23Å; L111-L136 HydrophobicContact CD1-CD1 3.9Å; F132-L136 HydrophobicContact CE1-CD2 4.27Å; F132-L136 HydrophobicContact CZ-CD2 4.48Å; F132-L136 WeakPolarHBondContact O-CB 3.46Å; F132-L136 PolarHBondContact O-N 3.48Å; M133-L136 PolarHBondContact O-N 2.87Å; D134-L136 VanDerWaalsContact C-N 3.33Å; D134-L136 PolarHBondContact O-N 3.44Å; L136-M139 WeakPolarHBondContact O-CB 3.38Å; L136-M139 PolarHBondContact O-N 3.48Å; L136-M140 VanDerWaalsContact O-CG 3.31Å; L136-M140 WeakPolarHBondContact O-CG 3.36Å; L136-M140 PolarHBondContact O-N 3.23Å |
| 137 | L | 95.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 174.8 | -74 | 162.4 | 0 | 0 | 0 | 113 | V34 K37 L38 V41 M75 M133 D134 M139 M140 R141 | V34-L137 HydrophobicContact CG1-CD1 3.94Å; K37-L137 HydrophobicContact CB-CD1 3.9Å; L38-L137 HydrophobicContact CD2-CD1 4.23Å; L38-L137 HydrophobicContact CD2-CD2 3.74Å; L38-L137 HydrophobicContact CD2-CG 4.49Å; L38-L137 HydrophobicContact CG-CD1 3.92Å; L38-L137 HydrophobicContact CG-CD2 4.19Å; V41-L137 HydrophobicContact CG2-CD2 3.91Å; M75-L137 HydrophobicContact CE-CD1 4.18Å; M75-L137 HydrophobicContact CE-CD2 4.01Å; M75-L137 HydrophobicContact CE-CG 3.58Å; M133-L137 VanDerWaalsContact O-CG 3.3Å; M133-L137 WeakPolarHBondContact O-CG 3.36Å; M133-L137 PolarHBondContact O-N 3.49Å; D134-L137 PolarHBondContact O-N 3.32Å; L137-M139 VanDerWaalsContact C-N 3.29Å; L137-M139 PolarHBondContact O-N 2.91Å; L137-M140 HydrophobicContact CD2-SD 3.94Å; L137-M140 WeakPolarHBondContact O-CB 3.45Å; L137-M140 PolarHBondContact O-N 2.97Å; L137-R141 PolarHBondContact O-N 2.94Å |
| 138 | D | 93.2 | Very high | 83.9 | Confident | 64 Ų | 64 | 48.8 Ų | 48.8 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.4 | -34.4 | 177.4 | -74.8 | -8.5 | 0 | 0 | 0 | 111.2 | K37 D134 Q135 R141 S142 | K37-D138 IonicContact NZ-OD1 2.56Å; K37-D138 PolarHBondContact NZ-OD1 2.83Å; K37-D138 IonicContact NZ-OD2 3.85Å; K37-D138 PolarHBondContact NZ-OD2 3.16Å; D134-D138 PolarHBondContact O-N 3.37Å; Q135-D138 PolarHBondContact O-N 2.87Å; D138-R141 PolarHBondContact O-N 3.43Å; D138-R141 IonicContact OD1-NH1 3.99Å; D138-R141 PolarHBondContact OD1-NH1 3.41Å; D138-S142 WeakPolarHBondContact O-CB 3.37Å; D138-S142 PolarHBondContact O-N 2.84Å; D138-S142 PolarHBondContact O-OG 3.28Å |
| 139 | M | 90.6 | Very high | 81.3 | Confident | 49 Ų | 49 | 50 Ų | 50 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | 169.4 | -169.9 | 172.5 | -63.5 | 0 | 0 | 111.6 | V79 L109 Q135 L136 L137 R141 S142 L143 | V79-M139 HydrophobicContact CG1-CG 4.36Å; V79-M139 HydrophobicContact CG1-SD 3.74Å; L109-M139 HydrophobicContact CB-CE 4.14Å; L109-M139 HydrophobicContact CD1-CE 4.25Å; L109-M139 HydrophobicContact CD1-SD 3.68Å; L109-M139 HydrophobicContact CD2-CE 3.94Å; L109-M139 HydrophobicContact CD2-SD 3.61Å; L109-M139 HydrophobicContact CG-CE 4.33Å; L109-M139 HydrophobicContact CG-SD 4.13Å; Q135-M139 PolarHBondContact O-N 3.43Å; L136-M139 WeakPolarHBondContact O-CB 3.38Å; L136-M139 PolarHBondContact O-N 3.48Å; L137-M139 VanDerWaalsContact C-N 3.29Å; L137-M139 PolarHBondContact O-N 2.91Å; M139-R141 VanDerWaalsContact C-N 3.29Å; M139-R141 PolarHBondContact O-N 3.46Å; M139-S142 WeakPolarHBondContact O-CB 3.3Å; M139-S142 PolarHBondContact O-N 2.83Å; M139-S142 VanDerWaalsContact O-N 3.11Å; M139-L143 HydrophobicContact CG-CD1 3.7Å; M139-L143 WeakPolarHBondContact O-CD1 3.45Å; M139-L143 PolarHBondContact O-N 3.02Å |
| 140 | M | 90.6 | Very high | 78.5 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.4 | -46.5 | 175 | -67.6 | 170.9 | 60.4 | 0 | 0 | 111.3 | V41 W74 M75 W78 V79 L136 L137 S142 L143 A144 | V41-M140 HydrophobicContact CG2-CE 4.36Å; W74-M140 HydrophobicContact CE3-CE 4.36Å; W74-M140 HydrophobicContact CH2-CE 3.56Å; W74-M140 HydrophobicContact CZ2-CE 4.29Å; W74-M140 HydrophobicContact CZ3-CE 3.61Å; M75-M140 HydrophobicContact CB-SD 3.88Å; M75-M140 HydrophobicContact CG-SD 3.92Å; W78-M140 HydrophobicContact CB-CE 3.75Å; W78-M140 HydrophobicContact CB-CG 4.47Å; W78-M140 HydrophobicContact CB-SD 4.39Å; W78-M140 HydrophobicContact CD2-CB 4.19Å; W78-M140 HydrophobicContact CD2-CE 3.7Å; W78-M140 HydrophobicContact CD2-CG 4.08Å; W78-M140 HydrophobicContact CE3-CB 3.55Å; W78-M140 HydrophobicContact CE3-CE 4.15Å; W78-M140 HydrophobicContact CE3-CG 3.52Å; W78-M140 HydrophobicContact CG-CE 3.52Å; W78-M140 HydrophobicContact CG-CG 4.5Å; W78-M140 HydrophobicContact CH2-CB 4.4Å; W78-M140 WeakPolarHBondContact CH2-O 3.2Å; W78-M140 HydrophobicContact CZ3-CB 3.7Å; W78-M140 HydrophobicContact CZ3-CG 4.16Å; W78-M140 WeakPolarHBondContact CZ3-O 3.37Å; V79-M140 HydrophobicContact CG2-CG 3.47Å; V79-M140 VanDerWaalsContact CG2-CG 3.47Å; L136-M140 VanDerWaalsContact O-CG 3.31Å; L136-M140 WeakPolarHBondContact O-CG 3.36Å; L136-M140 PolarHBondContact O-N 3.23Å; L137-M140 HydrophobicContact CD2-SD 3.94Å; L137-M140 WeakPolarHBondContact O-CB 3.45Å; L137-M140 PolarHBondContact O-N 2.97Å; M140-S142 PolarHBondContact O-N 3.33Å; M140-L143 PolarHBondContact O-N 2.75Å; M140-A144 WeakPolarHBondContact O-CB 3.33Å; M140-A144 PolarHBondContact O-N 3.47Å |
| 141 | R | 87.1 | Confident | 75.8 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 30% | 0.302 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 177.3 | -72.2 | -175.5 | -178.6 | 118.8 | 4.1 | 113.7 | K37 V41 L137 D138 M139 L143 A144 T145 | K37-R141 VanDerWaalsContact CD-NH1 3.28Å; K37-R141 VanDerWaalsContact CG-NH1 3.35Å; K37-R141 VanDerWaalsContact CG-NH2 3.26Å; K37-R141 PolarHBondContact O-NH2 3.37Å; V41-R141 HydrophobicContact CG1-CG 4.28Å; L137-R141 PolarHBondContact O-N 2.94Å; D138-R141 PolarHBondContact O-N 3.43Å; D138-R141 IonicContact OD1-NH1 3.99Å; D138-R141 PolarHBondContact OD1-NH1 3.41Å; M139-R141 VanDerWaalsContact C-N 3.29Å; M139-R141 PolarHBondContact O-N 3.46Å; R141-L143 VanDerWaalsContact C-N 3.32Å; R141-A144 PolarHBondContact O-N 3.43Å; R141-T145 WeakPolarHBondContact O-CB 3.4Å; R141-T145 PolarHBondContact O-N 2.95Å; R141-T145 PolarHBondContact O-OG1 3.29Å |
| 142 | S | 84.9 | Confident | 73.4 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 56% | 0.559 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | D138 M139 M140 T145 G146 | D138-S142 WeakPolarHBondContact O-CB 3.37Å; D138-S142 PolarHBondContact O-N 2.84Å; D138-S142 PolarHBondContact O-OG 3.28Å; M139-S142 WeakPolarHBondContact O-CB 3.3Å; M139-S142 PolarHBondContact O-N 2.83Å; M139-S142 VanDerWaalsContact O-N 3.11Å; M140-S142 PolarHBondContact O-N 3.33Å; S142-T145 PolarHBondContact O-N 3.22Å; S142-G146 PolarHBondContact O-N 2.95Å; S142-G146 VanDerWaalsContact O-N 3.15Å |
| 143 | L | 80.1 | Confident | 70.8 | Confident | 77 Ų | 77 | 60 Ų | 60 | 40% | 0.403 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 172.9 | -85.2 | 87 | 0 | 0 | 0 | 112 | W78 M139 M140 R141 T145 G146 C147 | W78-L143 HydrophobicContact CH2-CB 4.21Å; W78-L143 HydrophobicContact CZ3-CB 3.77Å; M139-L143 HydrophobicContact CG-CD1 3.7Å; M139-L143 WeakPolarHBondContact O-CD1 3.45Å; M139-L143 PolarHBondContact O-N 3.02Å; M140-L143 PolarHBondContact O-N 2.75Å; R141-L143 VanDerWaalsContact C-N 3.32Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 3.36Å; L143-G146 PolarHBondContact O-N 3.49Å; L143-C147 WeakPolarHBondContact O-CB 3.44Å; L143-C147 PolarHBondContact O-N 3.35Å; L143-C147 PolarHBondContact O-SG 2.89Å |
| 144 | A | 72 | Confident | 68.5 | Low | 33 Ų | 33 | 67.2 Ų | 67.2 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W78 M140 R141 C147 S148 | W78-A144 HydrophobicContact CH2-CB 3.68Å; W78-A144 HydrophobicContact CZ2-CB 4.08Å; M140-A144 WeakPolarHBondContact O-CB 3.33Å; M140-A144 PolarHBondContact O-N 3.47Å; R141-A144 PolarHBondContact O-N 3.43Å; A144-C147 CarbonylContact O-C 3.1Å; A144-C147 PolarHBondContact O-N 2.92Å; A144-S148 PolarHBondContact O-N 3.06Å; A144-S148 PolarHBondContact O-OG 3.48Å; A144-S148 VanDerWaalsContact O-OG 3.1Å |
| 145 | T | 62.8 | Low | 66.3 | Low | 105 Ų | 105 | 72.6 Ų | 72.6 | 64% | 0.644 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -72.5 | -36.7 | 178.8 | -51 | 0 | 0 | 0 | 0 | 111 | R141 S142 L143 C147 | R141-T145 WeakPolarHBondContact O-CB 3.4Å; R141-T145 PolarHBondContact O-N 2.95Å; R141-T145 PolarHBondContact O-OG1 3.29Å; S142-T145 PolarHBondContact O-N 3.22Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 3.36Å; T145-C147 VanDerWaalsContact C-N 3.26Å; T145-C147 PolarHBondContact O-N 3.38Å |
| 146 | G | 50.2 | Low | 64 | Low | 51 Ų | 51 | 74.2 Ų | 74.2 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.7 | -27.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S142 L143 | S142-G146 PolarHBondContact O-N 2.95Å; S142-G146 VanDerWaalsContact O-N 3.15Å; L143-G146 PolarHBondContact O-N 3.49Å |
| 147 | C | 43.1 | Very low | 61.8 | Low | 76 Ų | 76 | 78.5 Ų | 78.5 | 51% | 0.514 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -92.7 | -10.6 | -178.8 | -69.4 | 0 | 0 | 0 | 0 | 115 | L143 A144 T145 T149 S150 | L143-C147 WeakPolarHBondContact O-CB 3.44Å; L143-C147 PolarHBondContact O-N 3.35Å; L143-C147 PolarHBondContact O-SG 2.89Å; A144-C147 CarbonylContact O-C 3.1Å; A144-C147 PolarHBondContact O-N 2.92Å; T145-C147 VanDerWaalsContact C-N 3.26Å; T145-C147 PolarHBondContact O-N 3.38Å; C147-T149 PolarHBondContact O-N 3.2Å; C147-S150 WeakPolarHBondContact O-CB 3.5Å; C147-S150 PolarHBondContact O-N 3.17Å; C147-S150 PolarHBondContact O-OG 3.48Å |
| 148 | S | 39.8 | Very low | 60 | Low | 104 Ų | 104 | 83.7 Ų | 83.7 | 73% | 0.727 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10 | 179.8 | -72 | 0 | 0 | 0 | 0 | 114 | A144 S150 | A144-S148 PolarHBondContact O-N 3.06Å; A144-S148 PolarHBondContact O-OG 3.48Å; A144-S148 VanDerWaalsContact O-OG 3.1Å; S148-S150 PolarHBondContact O-N 3.06Å |
| 149 | T | 39.5 | Very low | 58.6 | Low | 89 Ų | 89 | 83.6 Ų | 83.6 | 55% | 0.546 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 7.5 | 171.5 | -12.2 | 0 | 0 | 0 | 0 | 113.1 | C147 S151 S152 L153 | C147-T149 PolarHBondContact O-N 3.2Å; T149-S151 PolarHBondContact O-N 2.9Å; T149-S152 PolarHBondContact O-N 3.11Å; T149-L153 PolarHBondContact O-N 3.01Å |
| 150 | S | 38.6 | Very low | 57.3 | Low | 84 Ų | 84 | 83 Ų | 83 | 59% | 0.587 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 2.3 | -164.7 | 56.7 | 0 | 0 | 0 | 0 | 117.8 | C147 S148 | C147-S150 WeakPolarHBondContact O-CB 3.5Å; C147-S150 PolarHBondContact O-N 3.17Å; C147-S150 PolarHBondContact O-OG 3.48Å; S148-S150 PolarHBondContact O-N 3.06Å |
| 151 | S | 42.2 | Very low | 56.4 | Low | 125 Ų | 125 | 86.5 Ų | 86.5 | 87% | 0.874 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -19.6 | 166.1 | 84.1 | 0 | 0 | 0 | 0 | 113.8 | T149 | T149-S151 PolarHBondContact O-N 2.9Š|
| 152 | S | 46.6 | Very low | 55.8 | Low | 65 Ų | 65 | 89.2 Ų | 89.2 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -3.2 | 176.9 | -176 | 0 | 0 | 0 | 0 | 113 | T149 K154 H156 | T149-S152 PolarHBondContact O-N 3.11Å; S152-K154 VanDerWaalsContact C-N 3.33Å; S152-K154 PolarHBondContact O-N 2.92Å; S152-H156 WeakPolarHBondContact O-CB 3.3Å; S152-H156 PolarHBondContact O-N 3.03Å; S152-H156 VanDerWaalsContact O-N 3.11Å |
| 153 | L | 43.2 | Very low | 55.5 | Low | 60 Ų | 60 | 90.7 Ų | 90.7 | 31% | 0.314 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.3 | -23.9 | -176.5 | -105 | 161.2 | 0 | 0 | 0 | 112.8 | T149 L157 | T149-L153 PolarHBondContact O-N 3.01Å; L153-L157 HydrophobicContact CB-CD1 4.4Å; L153-L157 HydrophobicContact CD2-CD1 3.79Å; L153-L157 HydrophobicContact CD2-CD2 4Å; L153-L157 HydrophobicContact CD2-CG 3.57Å; L153-L157 WeakPolarHBondContact O-CA 3.36Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 WeakPolarHBondContact O-CD1 3.34Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.26Å |
| 154 | K | 47.7 | Very low | 55.3 | Low | 153 Ų | 153 | 91.3 Ų | 91.3 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.4 | -48.7 | 178.1 | -169.2 | 175.5 | 179.8 | -173 | 0 | 111.9 | S152 L157 E158 | S152-K154 VanDerWaalsContact C-N 3.33Å; S152-K154 PolarHBondContact O-N 2.92Å; K154-L157 PolarHBondContact O-N 3.19Å; K154-E158 WeakPolarHBondContact O-CB 3.3Å; K154-E158 PolarHBondContact O-N 3Å |
| 155 | E | 51.8 | Low | 55.8 | Low | 152 Ų | 152 | 96.7 Ų | 96.7 | 71% | 0.71 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.7 | -39.2 | 176.2 | -78.5 | -179.1 | 160.9 | 0 | 0 | 111.7 | D159 | E155-D159 WeakPolarHBondContact O-CB 3.21Å; E155-D159 PolarHBondContact O-N 3.41Å |
| 156 | H | 48.9 | Very low | 56.7 | Low | 107 Ų | 107 | 94.8 Ų | 94.8 | 50% | 0.495 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.8 | -32.6 | 176.7 | -171.6 | -86.5 | 0 | 0 | 0 | 112.6 | S152 T160 | S152-H156 WeakPolarHBondContact O-CB 3.3Å; S152-H156 PolarHBondContact O-N 3.03Å; S152-H156 VanDerWaalsContact O-N 3.11Å; H156-T160 WeakPolarHBondContact CE1-CG2 3.35Å; H156-T160 WeakPolarHBondContact O-CB 3.37Å; H156-T160 VanDerWaalsContact O-CG2 3.25Å; H156-T160 WeakPolarHBondContact O-CG2 3.44Å; H156-T160 PolarHBondContact O-N 3.28Å; H156-T160 PolarHBondContact O-OG1 3.32Å |
| 157 | L | 49.9 | Very low | 58 | Low | 93 Ų | 93 | 97.1 Ų | 97.1 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70 | -44.3 | 172 | -74.9 | 169.6 | 0 | 0 | 0 | 110.6 | L153 K154 T160 T161 | L153-L157 HydrophobicContact CB-CD1 4.4Å; L153-L157 HydrophobicContact CD2-CD1 3.79Å; L153-L157 HydrophobicContact CD2-CD2 4Å; L153-L157 HydrophobicContact CD2-CG 3.57Å; L153-L157 WeakPolarHBondContact O-CA 3.36Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 WeakPolarHBondContact O-CD1 3.34Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.26Å; K154-L157 PolarHBondContact O-N 3.19Å; L157-T160 WeakPolarHBondContact CA-OG1 3.43Å; L157-T160 PolarHBondContact O-N 2.9Å; L157-T160 PolarHBondContact O-OG1 3.35Å; L157-T161 WeakPolarHBondContact O-CA 3.32Å; L157-T161 VanDerWaalsContact O-CB 3.25Å; L157-T161 WeakPolarHBondContact O-CB 3.37Å; L157-T161 WeakPolarHBondContact O-CG2 3.37Å; L157-T161 PolarHBondContact O-N 3.5Å; L157-T161 PolarHBondContact O-OG1 3.46Å |
| 158 | E | 57.5 | Low | 59.6 | Low | 108 Ų | 108 | 98.2 Ų | 98.2 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 175.2 | -85.2 | 169.6 | 177.1 | 0 | 0 | 110.7 | K154 T160 T161 E162 | K154-E158 WeakPolarHBondContact O-CB 3.3Å; K154-E158 PolarHBondContact O-N 3Å; E158-T160 PolarHBondContact O-N 2.85Å; E158-T161 VanDerWaalsContact CA-OG1 3.25Å; E158-T161 WeakPolarHBondContact CA-OG1 3.48Å; E158-T161 PolarHBondContact O-N 3.02Å; E158-T161 PolarHBondContact O-OG1 2.75Å; E158-E162 VanDerWaalsContact O-CB 3.31Å; E158-E162 WeakPolarHBondContact O-CB 3.32Å; E158-E162 PolarHBondContact O-N 3.05Å |
| 159 | D | 64.2 | Low | 61.5 | Low | 63 Ų | 63 | 94.8 Ų | 94.8 | 34% | 0.337 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 177.5 | -179.5 | 37.5 | 0 | 0 | 0 | 112.5 | E155 K163 | E155-D159 WeakPolarHBondContact O-CB 3.21Å; E155-D159 PolarHBondContact O-N 3.41Å; D159-K163 VanDerWaalsContact O-CB 3.24Å; D159-K163 WeakPolarHBondContact O-CB 3.34Å; D159-K163 WeakPolarHBondContact O-CD 3.05Å; D159-K163 WeakPolarHBondContact O-CG 3.43Å; D159-K163 PolarHBondContact O-N 3Å; D159-K163 WeakPolarHBondContact OD1-CE 3.01Å; D159-K163 IonicContact OD1-NZ 2.77Å; D159-K163 PolarHBondContact OD1-NZ 2.93Å; D159-K163 IonicContact OD2-NZ 2.8Å; D159-K163 PolarHBondContact OD2-NZ 2.95Å |
| 160 | T | 63.2 | Low | 63.4 | Low | 35 Ų | 35 | 97.3 Ų | 97.3 | 22% | 0.215 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -74.5 | -31.5 | 173.1 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | H156 L157 E158 N164 | H156-T160 WeakPolarHBondContact CE1-CG2 3.35Å; H156-T160 WeakPolarHBondContact O-CB 3.37Å; H156-T160 VanDerWaalsContact O-CG2 3.25Å; H156-T160 WeakPolarHBondContact O-CG2 3.44Å; H156-T160 PolarHBondContact O-N 3.28Å; H156-T160 PolarHBondContact O-OG1 3.32Å; L157-T160 WeakPolarHBondContact CA-OG1 3.43Å; L157-T160 PolarHBondContact O-N 2.9Å; L157-T160 PolarHBondContact O-OG1 3.35Å; E158-T160 PolarHBondContact O-N 2.85Å; T160-N164 WeakPolarHBondContact O-CB 3.43Å; T160-N164 PolarHBondContact O-N 2.75Å; T160-N164 PolarHBondContact O-ND2 2.9Å; T160-N164 VanDerWaalsContact O-ND2 3.1Å |
| 161 | T | 71.6 | Confident | 65.3 | Low | 77 Ų | 77 | 97.8 Ų | 97.8 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 173.2 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | L157 E158 N164 E165 | L157-T161 WeakPolarHBondContact O-CA 3.32Å; L157-T161 VanDerWaalsContact O-CB 3.25Å; L157-T161 WeakPolarHBondContact O-CB 3.37Å; L157-T161 WeakPolarHBondContact O-CG2 3.37Å; L157-T161 PolarHBondContact O-N 3.5Å; L157-T161 PolarHBondContact O-OG1 3.46Å; E158-T161 VanDerWaalsContact CA-OG1 3.25Å; E158-T161 WeakPolarHBondContact CA-OG1 3.48Å; E158-T161 PolarHBondContact O-N 3.02Å; E158-T161 PolarHBondContact O-OG1 2.75Å; T161-N164 PolarHBondContact O-N 3.28Å; T161-E165 WeakPolarHBondContact O-CB 3.31Å; T161-E165 PolarHBondContact O-N 3.07Å |
| 162 | E | 74.9 | Confident | 66.8 | Low | 137 Ų | 137 | 96.2 Ų | 96.2 | 64% | 0.64 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.8 | -42.3 | 176.6 | -170.3 | 174.1 | -169.5 | 0 | 0 | 110.6 | E158 E165 A166 | E158-E162 VanDerWaalsContact O-CB 3.31Å; E158-E162 WeakPolarHBondContact O-CB 3.32Å; E158-E162 PolarHBondContact O-N 3.05Å; E162-E165 PolarHBondContact O-N 3.05Å; E162-A166 VanDerWaalsContact O-CB 3.26Å; E162-A166 WeakPolarHBondContact O-CB 3.45Å; E162-A166 PolarHBondContact O-N 2.97Å |
| 163 | K | 78.3 | Confident | 68.3 | Low | 111 Ų | 111 | 97.8 Ų | 97.8 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 172.7 | -75.5 | 167.7 | 178.5 | 155.9 | 0 | 113 | D159 A166 L167 | D159-K163 VanDerWaalsContact O-CB 3.24Å; D159-K163 WeakPolarHBondContact O-CB 3.34Å; D159-K163 WeakPolarHBondContact O-CD 3.05Å; D159-K163 WeakPolarHBondContact O-CG 3.43Å; D159-K163 PolarHBondContact O-N 3Å; D159-K163 WeakPolarHBondContact OD1-CE 3.01Å; D159-K163 IonicContact OD1-NZ 2.77Å; D159-K163 PolarHBondContact OD1-NZ 2.93Å; D159-K163 IonicContact OD2-NZ 2.8Å; D159-K163 PolarHBondContact OD2-NZ 2.95Å; K163-A166 PolarHBondContact O-N 3.26Å; K163-L167 WeakPolarHBondContact O-CB 3.34Å; K163-L167 PolarHBondContact O-N 3.09Å |
| 164 | N | 75.2 | Confident | 69.8 | Low | 89 Ų | 89 | 96.7 Ų | 96.7 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.5 | -36.8 | 177.8 | -73 | -21.3 | 0 | 0 | 0 | 111.2 | T160 T161 L167 L168 | T160-N164 WeakPolarHBondContact O-CB 3.43Å; T160-N164 PolarHBondContact O-N 2.75Å; T160-N164 PolarHBondContact O-ND2 2.9Å; T160-N164 VanDerWaalsContact O-ND2 3.1Å; T161-N164 PolarHBondContact O-N 3.28Å; N164-L167 PolarHBondContact O-N 2.91Å; N164-L168 VanDerWaalsContact O-CB 3.25Å; N164-L168 WeakPolarHBondContact O-CB 3.23Å; N164-L168 WeakPolarHBondContact O-CG 3.37Å; N164-L168 PolarHBondContact O-N 2.92Å |
| 165 | E | 83.1 | Confident | 70.7 | Confident | 146 Ų | 146 | 94.2 Ų | 94.2 | 68% | 0.682 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.6 | -39.6 | 175 | -171.7 | 171.4 | -170.1 | 0 | 0 | 110.8 | T161 E162 L168 G169 | T161-E165 WeakPolarHBondContact O-CB 3.31Å; T161-E165 PolarHBondContact O-N 3.07Å; E162-E165 PolarHBondContact O-N 3.05Å; E165-L168 PolarHBondContact O-N 3.43Å; E165-G169 PolarHBondContact O-N 2.61Å |
| 166 | A | 80.5 | Confident | 71.3 | Confident | 65 Ų | 65 | 92.3 Ų | 92.3 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | E162 K163 G169 E170 | E162-A166 VanDerWaalsContact O-CB 3.26Å; E162-A166 WeakPolarHBondContact O-CB 3.45Å; E162-A166 PolarHBondContact O-N 2.97Å; K163-A166 PolarHBondContact O-N 3.26Å; A166-G169 PolarHBondContact O-N 3.42Å; A166-E170 WeakPolarHBondContact O-CB 3.31Å; A166-E170 PolarHBondContact O-N 3.25Å |
| 167 | L | 77.5 | Confident | 72.4 | Confident | 101 Ų | 101 | 88.9 Ų | 88.9 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 175.3 | -99.6 | 155.8 | 0 | 0 | 0 | 112.2 | K163 N164 G169 E170 L171 | K163-L167 WeakPolarHBondContact O-CB 3.34Å; K163-L167 PolarHBondContact O-N 3.09Å; N164-L167 PolarHBondContact O-N 2.91Å; L167-G169 VanDerWaalsContact C-N 3.33Å; L167-E170 PolarHBondContact O-N 3.28Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 PolarHBondContact O-N 3.21Å |
| 168 | L | 78.4 | Confident | 73.2 | Confident | 99 Ų | 99 | 91.8 Ų | 91.8 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 174.5 | -75.3 | 169.8 | 0 | 0 | 0 | 110.4 | N164 E165 L171 L172 | N164-L168 VanDerWaalsContact O-CB 3.25Å; N164-L168 WeakPolarHBondContact O-CB 3.23Å; N164-L168 WeakPolarHBondContact O-CG 3.37Å; N164-L168 PolarHBondContact O-N 2.92Å; E165-L168 PolarHBondContact O-N 3.43Å; L168-L171 PolarHBondContact O-N 2.86Å; L168-L172 WeakPolarHBondContact O-CB 3.34Å; L168-L172 WeakPolarHBondContact O-CD1 3.47Å; L168-L172 WeakPolarHBondContact O-CG 3.29Å; L168-L172 PolarHBondContact O-N 3.32Å |
| 169 | G | 78.9 | Confident | 73.5 | Confident | 32 Ų | 32 | 89.5 Ų | 89.5 | 33% | 0.33 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | E165 A166 L167 S173 | E165-G169 PolarHBondContact O-N 2.61Å; A166-G169 PolarHBondContact O-N 3.42Å; L167-G169 VanDerWaalsContact C-N 3.33Å; G169-S173 WeakPolarHBondContact O-CB 3.3Å; G169-S173 PolarHBondContact O-N 3.23Å; G169-S173 PolarHBondContact O-OG 3.39Å |
| 170 | E | 80.2 | Confident | 73.4 | Confident | 142 Ų | 142 | 92.7 Ų | 92.7 | 66% | 0.664 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.8 | -43.5 | 176.5 | -170.2 | -179.4 | 164.9 | 0 | 0 | 111.9 | A166 L167 S173 S174 | A166-E170 WeakPolarHBondContact O-CB 3.31Å; A166-E170 PolarHBondContact O-N 3.25Å; L167-E170 PolarHBondContact O-N 3.28Å; E170-S173 PolarHBondContact O-N 2.75Å; E170-S174 PolarHBondContact O-N 3.41Å |
| 171 | L | 77.3 | Confident | 73.4 | Confident | 93 Ų | 93 | 96.5 Ų | 96.5 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 179.9 | -162.6 | 114.3 | 0 | 0 | 0 | 111.7 | L167 L168 S174 L177 | L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 PolarHBondContact O-N 3.21Å; L168-L171 PolarHBondContact O-N 2.86Å; L171-S174 VanDerWaalsContact O-CB 3.32Å; L171-S174 WeakPolarHBondContact O-CB 3.28Å; L171-S174 PolarHBondContact O-N 2.91Å; L171-L177 HydrophobicContact CD2-CD1 3.68Å; L171-L177 HydrophobicContact CD2-CD2 4.39Å; L171-L177 HydrophobicContact CG-CD1 4.18Å; L171-L177 WeakPolarHBondContact O-CB 3.32Å; L171-L177 WeakPolarHBondContact O-CD2 3.35Å |
| 172 | L | 74.5 | Confident | 72.7 | Confident | 93 Ų | 93 | 100 Ų | 100 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.3 | -26.7 | 177.1 | -66.6 | 171.3 | 0 | 0 | 0 | 112.8 | L168 S174 L177 W178 | L168-L172 WeakPolarHBondContact O-CB 3.34Å; L168-L172 WeakPolarHBondContact O-CD1 3.47Å; L168-L172 WeakPolarHBondContact O-CG 3.29Å; L168-L172 PolarHBondContact O-N 3.32Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-L177 HydrophobicContact CD2-CD2 3.73Å; L172-W178 PolarHBondContact O-NE1 2.96Å |
| 173 | S | 77.1 | Confident | 71.8 | Confident | 97 Ų | 97 | 97.8 Ų | 97.8 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -81.4 | -15.2 | 172.5 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | G169 E170 P175 | G169-S173 WeakPolarHBondContact O-CB 3.3Å; G169-S173 PolarHBondContact O-N 3.23Å; G169-S173 PolarHBondContact O-OG 3.39Å; E170-S173 PolarHBondContact O-N 2.75Å; S173-P175 WeakPolarHBondContact O-CD 3.5Å |
| 174 | S | 74.6 | Confident | 70.8 | Confident | 38 Ų | 38 | 100.9 Ų | 100.9 | 27% | 0.266 | 55% | 0.547 | S | S | . | . | trans | -66.9 | 121 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | E170 L171 L172 N176 L177 | E170-S174 PolarHBondContact O-N 3.41Å; L171-S174 VanDerWaalsContact O-CB 3.32Å; L171-S174 WeakPolarHBondContact O-CB 3.28Å; L171-S174 PolarHBondContact O-N 2.91Å; L172-S174 VanDerWaalsContact C-N 3.33Å; S174-N176 PolarHBondContact O-N 3.38Å; S174-N176 VanDerWaalsContact O-N 3.12Å; S174-L177 PolarHBondContact O-N 3.42Å; S174-L177 VanDerWaalsContact O-N 3.11Å | ||
| 175 | P | 67.4 | Low | 69.7 | Low | 100 Ų | 100 | 103 Ų | 103 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.5 | -21.9 | 177.6 | 23.7 | -31.9 | 0 | 0 | 0 | 112.3 | S173 W178 A179 | S173-P175 WeakPolarHBondContact O-CD 3.5Å; P175-W178 PolarHBondContact O-N 3.43Å; P175-A179 PolarHBondContact O-N 3.29Å; P175-A179 VanDerWaalsContact O-N 3.1Å |
| 176 | N | 64.6 | Low | 68.3 | Low | 113 Ų | 113 | 102.8 Ų | 102.8 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.2 | -32.3 | 177.6 | -62 | -36 | 0 | 0 | 0 | 112.5 | S174 A179 I180 | S174-N176 PolarHBondContact O-N 3.38Å; S174-N176 VanDerWaalsContact O-N 3.12Å; N176-A179 PolarHBondContact O-N 3.39Å; N176-I180 WeakPolarHBondContact O-CD1 3.41Å; N176-I180 VanDerWaalsContact O-CG1 3.24Å; N176-I180 WeakPolarHBondContact O-CG1 3.32Å; N176-I180 PolarHBondContact O-N 3.15Å |
| 177 | L | 71.3 | Confident | 67 | Low | 35 Ų | 35 | 105.9 Ų | 105.9 | 18% | 0.183 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -65.9 | -44.6 | 176.3 | -173.1 | 89.6 | 0 | 0 | 0 | 110.3 | L171 L172 S174 A179 I180 L181 | L171-L177 HydrophobicContact CD2-CD1 3.68Å; L171-L177 HydrophobicContact CD2-CD2 4.39Å; L171-L177 HydrophobicContact CG-CD1 4.18Å; L171-L177 WeakPolarHBondContact O-CB 3.32Å; L171-L177 WeakPolarHBondContact O-CD2 3.35Å; L172-L177 HydrophobicContact CD2-CD2 3.73Å; S174-L177 PolarHBondContact O-N 3.42Å; S174-L177 VanDerWaalsContact O-N 3.11Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.28Å; L177-I180 PolarHBondContact O-N 2.81Å; L177-I180 VanDerWaalsContact O-N 3.13Å; L177-L181 HydrophobicContact CD1-CD1 4.47Å; L177-L181 HydrophobicContact CD2-CD1 3.74Å; L177-L181 HydrophobicContact CG-CD1 3.74Å; L177-L181 HydrophobicContact CG-CG 4.23Å; L177-L181 WeakPolarHBondContact O-CB 3.25Å; L177-L181 WeakPolarHBondContact O-CG 3.49Å; L177-L181 PolarHBondContact O-N 2.94Å |
| 178 | W | 66.4 | Low | 65.8 | Low | 154 Ų | 154 | 107.1 Ų | 107.1 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.6 | -34.9 | 177.2 | -72.1 | 103.3 | 0 | 0 | 0 | 112.4 | L172 P175 I180 K182 | L172-W178 PolarHBondContact O-NE1 2.96Å; P175-W178 PolarHBondContact O-N 3.43Å; W178-I180 VanDerWaalsContact C-N 3.31Å; W178-I180 PolarHBondContact O-N 3.02Å; W178-K182 WeakPolarHBondContact O-CA 3.43Å; W178-K182 WeakPolarHBondContact O-CB 3.36Å; W178-K182 PolarHBondContact O-N 2.81Å |
| 179 | A | 63.8 | Low | 64.7 | Low | 60 Ų | 60 | 105.4 Ų | 105.4 | 50% | 0.496 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.9 | -30.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | P175 N176 L177 K182 P183 | P175-A179 PolarHBondContact O-N 3.29Å; P175-A179 VanDerWaalsContact O-N 3.1Å; N176-A179 PolarHBondContact O-N 3.39Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.28Å; A179-K182 CarbonylContact O-C 3.5Å; A179-P183 WeakPolarHBondContact O-CA 3.34Å |
| 180 | I | 62.1 | Low | 63.6 | Low | 129 Ų | 129 | 110.7 Ų | 110.7 | 66% | 0.662 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -80.3 | -42.5 | 175.9 | -67.5 | 163.2 | 0 | 0 | 0 | 111.6 | N176 L177 W178 K182 P183 | N176-I180 WeakPolarHBondContact O-CD1 3.41Å; N176-I180 VanDerWaalsContact O-CG1 3.24Å; N176-I180 WeakPolarHBondContact O-CG1 3.32Å; N176-I180 PolarHBondContact O-N 3.15Å; L177-I180 PolarHBondContact O-N 2.81Å; L177-I180 VanDerWaalsContact O-N 3.13Å; W178-I180 VanDerWaalsContact C-N 3.31Å; W178-I180 PolarHBondContact O-N 3.02Å; I180-K182 VanDerWaalsContact C-N 3.32Å; I180-P183 WeakPolarHBondContact O-CD 3.45Å |
| 181 | L | 62.8 | Low | 62.4 | Low | 116 Ų | 116 | 109.7 Ų | 109.7 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -74.6 | -25.5 | -179.4 | -70 | 176.2 | 0 | 0 | 0 | 112.4 | L177 | L177-L181 HydrophobicContact CD1-CD1 4.47Å; L177-L181 HydrophobicContact CD2-CD1 3.74Å; L177-L181 HydrophobicContact CG-CD1 3.74Å; L177-L181 HydrophobicContact CG-CG 4.23Å; L177-L181 WeakPolarHBondContact O-CB 3.25Å; L177-L181 WeakPolarHBondContact O-CG 3.49Å; L177-L181 PolarHBondContact O-N 2.94Å |
| 182 | K | 57.3 | Low | 61 | Low | 151 Ų | 151 | 109.5 Ų | 109.5 | 66% | 0.657 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -131.5 | 73 | 176 | -155.1 | -177.1 | -174.2 | -168.4 | 0 | 108.5 | W178 A179 I180 E184 | W178-K182 WeakPolarHBondContact O-CA 3.43Å; W178-K182 WeakPolarHBondContact O-CB 3.36Å; W178-K182 PolarHBondContact O-N 2.81Å; A179-K182 CarbonylContact O-C 3.5Å; I180-K182 VanDerWaalsContact C-N 3.32Å; K182-E184 PolarHBondContact O-N 3.49Å |
| 183 | P | 56 | Low | 60.1 | Low | 90 Ų | 90 | 109.4 Ų | 109.4 | 58% | 0.584 | 58% | 0.579 | S | S | * | * | trans | -61.5 | 113 | 175.4 | 25.8 | -30.2 | 0 | 0 | 0 | 107.2 | A179 I180 N185 | A179-P183 WeakPolarHBondContact O-CA 3.34Å; I180-P183 WeakPolarHBondContact O-CD 3.45Å; P183-N185 PolarHBondContact O-N 2.7Å | ||
| 184 | E | 56.8 | Low | 59.1 | Low | 175 Ų | 175 | 108.5 Ų | 108.5 | 82% | 0.818 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -75 | 15.4 | -176 | -138 | 169.9 | -149.9 | 0 | 0 | 112.7 | K182 | K182-E184 PolarHBondContact O-N 3.49Š|
| 185 | N | 53.5 | Low | 58.1 | Low | 134 Ų | 134 | 110.5 Ų | 110.5 | 72% | 0.717 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -139.3 | 124.6 | -179.8 | -69.5 | -72.8 | 0 | 0 | 0 | 110 | P183 | P183-N185 PolarHBondContact O-N 2.7Š|
| 186 | E | 54 | Low | 57.3 | Low | 141 Ų | 141 | 111 Ų | 111 | 66% | 0.659 | 58% | 0.584 | S | S | * | * | trans | -49.1 | 140.2 | 172.5 | -71.1 | -171 | 155.6 | 0 | 0 | 110.4 | W188 | E186-W188 VanDerWaalsContact CB-CD1 3.47Å; E186-W188 PolarHBondContact O-N 3.31Å; E186-W188 PolarHBondContact OE2-NE1 2.85Å | ||
| 187 | P | 52.2 | Low | 56.7 | Low | 131 Ų | 131 | 111.2 Ų | 111.2 | 85% | 0.851 | 59% | 0.585 | S | S | * | * | trans | -77.5 | 61.4 | -172.1 | 34.5 | -36.1 | 0 | 0 | 0 | 110.6 | ||||
| 188 | W | 52.5 | Low | 55.6 | Low | 127 Ų | 127 | 118.4 Ų | 118.4 | 48% | 0.481 | 61% | 0.614 | S | S | . | * | trans | -86.8 | 134.8 | 171.6 | -64.7 | 103.6 | 0 | 0 | 0 | 109.6 | E186 M192 Q193 | E186-W188 VanDerWaalsContact CB-CD1 3.47Å; E186-W188 PolarHBondContact O-N 3.31Å; E186-W188 PolarHBondContact OE2-NE1 2.85Å; W188-M192 HydrophobicContact CB-CB 4.46Å; W188-M192 HydrophobicContact CE3-SD 3.8Å; W188-M192 HydrophobicContact CZ3-SD 4.2Å; W188-Q193 PolarHBondContact O-NE2 2.9Å | ||
| 189 | P | 54.5 | Low | 54.6 | Low | 63 Ų | 63 | 118.8 Ų | 118.8 | 41% | 0.409 | 62% | 0.623 | S | S | . | * | trans | -50.9 | 143.3 | 171.9 | -24.2 | 33.1 | 0 | 0 | 0 | 111.6 | D191 M192 Q193 | P189-D191 WeakPolarHBondContact CB-OD1 3.32Å; P189-D191 PolarHBondContact O-N 3.31Å; P189-M192 PolarHBondContact O-N 2.87Å; P189-Q193 PolarHBondContact O-N 2.87Å | ||
| 190 | L | 56.2 | Low | 53.7 | Low | 143 Ų | 143 | 120.3 Ų | 120.3 | 75% | 0.749 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -52.4 | -28.5 | -177.3 | -86.8 | 152.5 | 0 | 0 | 0 | 113.4 | M192 Q193 | L190-M192 VanDerWaalsContact C-N 3.32Å; L190-M192 PolarHBondContact O-N 3.47Å; L190-Q193 PolarHBondContact O-N 3.49Å |
| 191 | D | 56.4 | Low | 52.8 | Low | 121 Ų | 121 | 121 Ų | 121 | 65% | 0.647 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.7 | -17.9 | 176.6 | 38.2 | -54.1 | 0 | 0 | 0 | 114.4 | P189 | P189-D191 WeakPolarHBondContact CB-OD1 3.32Å; P189-D191 PolarHBondContact O-N 3.31Å |
| 192 | M | 47.2 | Very low | 52.1 | Low | 89 Ų | 89 | 122.5 Ų | 122.5 | 44% | 0.438 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -97.6 | -23.2 | 172.6 | -66.6 | -166.8 | 174.3 | 0 | 0 | 113 | W188 P189 L190 S194 S195 L196 | W188-M192 HydrophobicContact CB-CB 4.46Å; W188-M192 HydrophobicContact CE3-SD 3.8Å; W188-M192 HydrophobicContact CZ3-SD 4.2Å; P189-M192 PolarHBondContact O-N 2.87Å; L190-M192 VanDerWaalsContact C-N 3.32Å; L190-M192 PolarHBondContact O-N 3.47Å; M192-S194 PolarHBondContact O-N 3.26Å; M192-S195 WeakPolarHBondContact O-CB 3.34Å; M192-S195 PolarHBondContact O-N 2.86Å; M192-L196 PolarHBondContact O-N 2.92Å |
| 193 | Q | 56.2 | Low | 51.5 | Low | 91 Ų | 91 | 122.3 Ų | 122.3 | 43% | 0.425 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67.9 | -34.3 | -177.1 | -64.3 | -175.9 | 21.9 | 0 | 0 | 112.9 | W188 P189 L190 S195 L196 N197 | W188-Q193 PolarHBondContact O-NE2 2.9Å; P189-Q193 PolarHBondContact O-N 2.87Å; L190-Q193 PolarHBondContact O-N 3.49Å; Q193-S195 PolarHBondContact O-N 3.37Å; Q193-L196 PolarHBondContact O-N 2.92Å; Q193-N197 WeakPolarHBondContact O-CB 3.42Å; Q193-N197 PolarHBondContact O-N 3.34Å; Q193-N197 VanDerWaalsContact O-N 3.08Å |
| 194 | S | 55.4 | Low | 50.8 | Low | 78 Ų | 78 | 123.3 Ų | 123.3 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -64.6 | -23 | 176.4 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | M192 | M192-S194 PolarHBondContact O-N 3.26Å |
| 195 | S | 52.9 | Low | 50.1 | Low | 80 Ų | 80 | 125 Ų | 125 | 56% | 0.559 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -86.9 | -36.1 | -177.5 | -48.1 | 0 | 0 | 0 | 0 | 111.6 | M192 Q193 | M192-S195 WeakPolarHBondContact O-CB 3.34Å; M192-S195 PolarHBondContact O-N 2.86Å; Q193-S195 PolarHBondContact O-N 3.37Å |
| 196 | L | 51.5 | Low | 49.4 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 58% | 0.581 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -78.2 | -39.1 | 177.5 | -91.1 | 114.6 | 0 | 0 | 0 | 112.9 | M192 Q193 K198 Q199 C200 | M192-L196 PolarHBondContact O-N 2.92Å; Q193-L196 PolarHBondContact O-N 2.92Å; L196-K198 PolarHBondContact O-N 3.45Å; L196-Q199 PolarHBondContact O-N 3.24Å; L196-Q199 VanDerWaalsContact O-N 3.09Å; L196-C200 PolarHBondContact O-N 2.92Å |
| 197 | N | 51.3 | Low | 48.7 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.3 | -24.9 | -176.1 | -136.8 | 21.8 | 0 | 0 | 0 | 112.7 | Q193 Q199 | Q193-N197 WeakPolarHBondContact O-CB 3.42Å; Q193-N197 PolarHBondContact O-N 3.34Å; Q193-N197 VanDerWaalsContact O-N 3.08Å; N197-Q199 VanDerWaalsContact C-N 3.33Å |
| 198 | K | 49.3 | Very low | 48.6 | Very low | 185 Ų | 185 | 119.8 Ų | 119.8 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.3 | -18 | 174 | -99.1 | 179.1 | 177.3 | 175.8 | 0 | 114.5 | L196 | L196-K198 PolarHBondContact O-N 3.45Å |
| 199 | Q | 45 | Very low | 48.3 | Very low | 163 Ų | 163 | 117.5 Ų | 117.5 | 76% | 0.762 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -94.8 | -15.5 | 178.6 | -107.3 | -174.4 | 19.2 | 0 | 0 | 113.1 | L196 N197 | L196-Q199 PolarHBondContact O-N 3.24Å; L196-Q199 VanDerWaalsContact O-N 3.09Å; N197-Q199 VanDerWaalsContact C-N 3.33Å |
| 200 | C | 44.3 | Very low | 47.9 | Very low | 92 Ų | 92 | 119.1 Ų | 119.1 | 62% | 0.622 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -86 | -25.5 | -169.4 | -153.6 | 0 | 0 | 0 | 0 | 113.8 | L196 | L196-C200 PolarHBondContact O-N 2.92Å |
| 201 | D | 44.2 | Very low | 47.5 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -11.1 | -174.2 | -73.6 | -30 | 0 | 0 | 0 | 114.6 | ||
| 202 | D | 48.5 | Very low | 47.5 | Very low | 148 Ų | 148 | 117.3 Ų | 117.3 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 7.2 | -175.2 | -83.4 | -30.9 | 0 | 0 | 0 | 115.1 | P204 | D202-P204 WeakPolarHBondContact O-CD 3.42Š|
| 203 | L | 43.2 | Very low | 47.8 | Very low | 147 Ų | 147 | 119.6 Ų | 119.6 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | trans | -96.7 | 116.6 | -179.7 | -159.6 | 66.7 | 0 | 0 | 0 | 112.5 | K205 | L203-K205 PolarHBondContact O-N 3.37Š| ||
| 204 | P | 42.1 | Very low | 48 | Very low | 112 Ų | 112 | 117.6 Ų | 117.6 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | trans | -63.6 | 135 | 174.8 | -17.7 | 30.9 | 0 | 0 | 0 | 111.2 | D202 A206 | D202-P204 WeakPolarHBondContact O-CD 3.42Å; P204-A206 PolarHBondContact O-N 2.91Å | ||
| 205 | K | 41.5 | Very low | 48.6 | Very low | 209 Ų | 209 | 120.3 Ų | 120.3 | 91% | 0.909 | 69% | 0.692 | S | S | * | * | trans | -27.7 | 123.7 | 169.2 | -167.4 | 169.8 | -175.9 | 170.9 | 0 | 113.3 | L203 G207 | L203-K205 PolarHBondContact O-N 3.37Å; K205-G207 PolarHBondContact O-N 3.35Å | ||
| 206 | A | 38.3 | Very low | 49.5 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | trans | -43.4 | 114.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | P204 | P204-A206 PolarHBondContact O-N 2.91Š| ||
| 207 | G | 41 | Very low | 50.4 | Low | 54 Ų | 54 | 121.8 Ų | 121.8 | 56% | 0.557 | 69% | 0.692 | S | S | * | * | trans | -94.8 | 171.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K205 S209 | K205-G207 PolarHBondContact O-N 3.35Å; G207-S209 PolarHBondContact O-N 3.2Å | ||
| 208 | P | 49.3 | Very low | 51.8 | Low | 140 Ų | 140 | 118.7 Ų | 118.7 | 91% | 0.909 | 68% | 0.682 | S | S | * | * | trans | -72.9 | 92.2 | -171.2 | 31.1 | -33.2 | 0 | 0 | 0 | 110.6 | ||||
| 209 | S | 46.6 | Very low | 53.4 | Low | 79 Ų | 79 | 112.7 Ų | 112.7 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | trans | -107.7 | 11.9 | -175.9 | -173.7 | 0 | 0 | 0 | 0 | 114.5 | G207 Q211 S212 | G207-S209 PolarHBondContact O-N 3.2Å; S209-Q211 PolarHBondContact O-N 2.89Å; S209-S212 PolarHBondContact O-N 2.9Å | ||
| 210 | A | 46.5 | Very low | 55.3 | Low | 98 Ų | 98 | 109.9 Ų | 109.9 | 81% | 0.81 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -8.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 211 | Q | 47.7 | Very low | 57.2 | Low | 180 Ų | 180 | 108.2 Ų | 108.2 | 84% | 0.841 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -20.3 | 178.9 | -120.6 | 170.3 | -0.4 | 0 | 0 | 113.7 | S209 | S209-Q211 PolarHBondContact O-N 2.89Š|
| 212 | S | 55.5 | Low | 59.3 | Low | 45 Ų | 45 | 108.4 Ų | 108.4 | 32% | 0.315 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -83.7 | -28.2 | -174.1 | -178.4 | 0 | 0 | 0 | 0 | 113.9 | S209 K216 | S209-S212 PolarHBondContact O-N 2.9Å; S212-K216 WeakPolarHBondContact O-CG 3.27Å; S212-K216 PolarHBondContact O-N 3.1Å; S212-K216 WeakPolarHBondContact OG-CE 3.07Å |
| 213 | E | 52.9 | Low | 61.2 | Low | 137 Ų | 137 | 107.5 Ų | 107.5 | 64% | 0.64 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75 | -37.1 | -177.8 | -74.5 | -175.1 | 149.6 | 0 | 0 | 112.9 | E215 K216 V217 | E213-E215 VanDerWaalsContact C-N 3.33Å; E213-E215 PolarHBondContact O-N 3.3Å; E213-K216 PolarHBondContact O-N 3.46Å; E213-V217 VanDerWaalsContact O-CG2 3.29Å; E213-V217 WeakPolarHBondContact O-CG2 3.42Å; E213-V217 PolarHBondContact O-N 3.4Å |
| 214 | G | 61.2 | Low | 63.4 | Low | 50 Ų | 50 | 106.1 Ų | 106.1 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.4 | -37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A218 | G214-A218 WeakPolarHBondContact O-CB 3.47Å; G214-A218 PolarHBondContact O-N 2.88Å |
| 215 | E | 68 | Low | 65.6 | Low | 134 Ų | 134 | 107 Ų | 107 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69 | -41.8 | 176.7 | -168.6 | 170 | -161.9 | 0 | 0 | 111.5 | E213 V217 A218 D219 | E213-E215 VanDerWaalsContact C-N 3.33Å; E213-E215 PolarHBondContact O-N 3.3Å; E215-V217 PolarHBondContact O-N 3.02Å; E215-A218 PolarHBondContact O-N 3.02Å; E215-D219 PolarHBondContact O-N 2.9Å |
| 216 | K | 71.3 | Confident | 68 | Low | 126 Ų | 126 | 102.3 Ų | 102.3 | 55% | 0.548 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.3 | -39.7 | 174.6 | -71 | 174.8 | -174.9 | 176.2 | 0 | 112.7 | S212 E213 D219 L220 | S212-K216 WeakPolarHBondContact O-CG 3.27Å; S212-K216 PolarHBondContact O-N 3.1Å; S212-K216 WeakPolarHBondContact OG-CE 3.07Å; E213-K216 PolarHBondContact O-N 3.46Å; K216-D219 PolarHBondContact O-N 2.93Å; K216-L220 WeakPolarHBondContact O-CB 3.27Å; K216-L220 PolarHBondContact O-N 2.79Å |
| 217 | V | 71.6 | Confident | 70.1 | Confident | 97 Ų | 97 | 100 Ų | 100 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.8 | -39.2 | 176 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | E213 E215 L220 A221 | E213-V217 VanDerWaalsContact O-CG2 3.29Å; E213-V217 WeakPolarHBondContact O-CG2 3.42Å; E213-V217 PolarHBondContact O-N 3.4Å; E215-V217 PolarHBondContact O-N 3.02Å; V217-L220 PolarHBondContact O-N 2.96Å; V217-A221 WeakPolarHBondContact O-CB 3.45Å; V217-A221 PolarHBondContact O-N 2.63Å |
| 218 | A | 80.9 | Confident | 72.1 | Confident | 51 Ų | 51 | 99.4 Ų | 99.4 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.7 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G214 E215 A221 R222 | G214-A218 WeakPolarHBondContact O-CB 3.47Å; G214-A218 PolarHBondContact O-N 2.88Å; E215-A218 PolarHBondContact O-N 3.02Å; A218-A221 PolarHBondContact O-N 3.39Å; A218-R222 PolarHBondContact O-N 2.93Å |
| 219 | D | 82.8 | Confident | 74 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 32% | 0.316 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 173.5 | -80.2 | -27.6 | 0 | 0 | 0 | 112.2 | E215 K216 R222 Q223 | E215-D219 PolarHBondContact O-N 2.9Å; K216-D219 PolarHBondContact O-N 2.93Å; D219-R222 WeakPolarHBondContact O-CB 3.47Å; D219-R222 PolarHBondContact O-N 3.31Å; D219-R222 IonicContact OD1-CZ 3.12Å; D219-R222 IonicContact OD1-NH1 3.16Å; D219-R222 PolarHBondContact OD1-NH1 3.37Å; D219-R222 IonicContact OD1-NH2 2.79Å; D219-R222 PolarHBondContact OD1-NH2 3.04Å; D219-Q223 PolarHBondContact O-N 3.31Å |
| 220 | L | 83.1 | Confident | 75.9 | Confident | 105 Ų | 105 | 98.4 Ų | 98.4 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175 | -91.2 | 152.3 | 0 | 0 | 0 | 111.7 | K216 V217 R222 Q223 L224 | K216-L220 WeakPolarHBondContact O-CB 3.27Å; K216-L220 PolarHBondContact O-N 2.79Å; V217-L220 PolarHBondContact O-N 2.96Å; L220-R222 VanDerWaalsContact C-N 3.31Å; L220-R222 PolarHBondContact O-N 3.47Å; L220-Q223 PolarHBondContact O-N 3.31Å; L220-L224 WeakPolarHBondContact O-CB 3.46Å; L220-L224 PolarHBondContact O-N 3.18Å |
| 221 | A | 84.2 | Confident | 77.5 | Confident | 56 Ų | 56 | 99.3 Ų | 99.3 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V217 A218 L224 Q225 | V217-A221 WeakPolarHBondContact O-CB 3.45Å; V217-A221 PolarHBondContact O-N 2.63Å; A218-A221 PolarHBondContact O-N 3.39Å; A221-L224 PolarHBondContact O-N 2.61Å; A221-Q225 WeakPolarHBondContact O-CB 2.95Å; A221-Q225 PolarHBondContact O-N 2.68Å |
| 222 | R | 89.4 | Confident | 79 | Confident | 146 Ų | 146 | 96 Ų | 96 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65 | -44.8 | 175.7 | -160.6 | -168.9 | -44.7 | 114.3 | 9.6 | 111.5 | A218 D219 L220 L224 Q225 E226 | A218-R222 PolarHBondContact O-N 2.93Å; D219-R222 WeakPolarHBondContact O-CB 3.47Å; D219-R222 PolarHBondContact O-N 3.31Å; D219-R222 IonicContact OD1-CZ 3.12Å; D219-R222 IonicContact OD1-NH1 3.16Å; D219-R222 PolarHBondContact OD1-NH1 3.37Å; D219-R222 IonicContact OD1-NH2 2.79Å; D219-R222 PolarHBondContact OD1-NH2 3.04Å; L220-R222 VanDerWaalsContact C-N 3.31Å; L220-R222 PolarHBondContact O-N 3.47Å; R222-L224 VanDerWaalsContact C-N 3.34Å; R222-L224 PolarHBondContact O-N 3.03Å; R222-Q225 PolarHBondContact O-N 3.45Å; R222-E226 WeakPolarHBondContact O-CB 2.97Å; R222-E226 PolarHBondContact O-N 3.48Å |
| 223 | Q | 88.4 | Confident | 80.4 | Confident | 129 Ų | 129 | 97.3 Ų | 97.3 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -40.3 | 176.2 | -76.8 | -175.2 | 2.6 | 0 | 0 | 112.2 | D219 L220 E226 S227 | D219-Q223 PolarHBondContact O-N 3.31Å; L220-Q223 PolarHBondContact O-N 3.31Å; Q223-E226 PolarHBondContact O-N 3.24Å; Q223-S227 WeakPolarHBondContact O-CB 3.1Å; Q223-S227 PolarHBondContact O-N 2.93Å; Q223-S227 PolarHBondContact O-OG 2.61Å |
| 224 | L | 88.6 | Confident | 81.6 | Confident | 118 Ų | 118 | 95.6 Ų | 95.6 | 62% | 0.618 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | 175.2 | -116 | 158.3 | 0 | 0 | 0 | 110.9 | L220 A221 R222 E226 S227 A228 | L220-L224 WeakPolarHBondContact O-CB 3.46Å; L220-L224 PolarHBondContact O-N 3.18Å; A221-L224 PolarHBondContact O-N 2.61Å; R222-L224 VanDerWaalsContact C-N 3.34Å; R222-L224 PolarHBondContact O-N 3.03Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-E226 PolarHBondContact O-N 3.41Å; L224-S227 PolarHBondContact O-N 2.84Å; L224-S227 PolarHBondContact O-OG 2.75Å; L224-A228 WeakPolarHBondContact O-CB 3.2Å; L224-A228 PolarHBondContact O-N 3.25Å |
| 225 | Q | 88.1 | Confident | 82.3 | Confident | 132 Ų | 132 | 100.5 Ų | 100.5 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 177.2 | -166.5 | 68.5 | 31.8 | 0 | 0 | 111.8 | A221 R222 A228 T229 | A221-Q225 WeakPolarHBondContact O-CB 2.95Å; A221-Q225 PolarHBondContact O-N 2.68Å; R222-Q225 PolarHBondContact O-N 3.45Å; Q225-A228 PolarHBondContact O-N 3.32Å; Q225-T229 WeakPolarHBondContact O-CG2 3.49Å; Q225-T229 PolarHBondContact O-N 3.13Å; Q225-T229 PolarHBondContact O-OG1 3.09Å |
| 226 | E | 92 | Very high | 82.7 | Confident | 110 Ų | 110 | 98.5 Ų | 98.5 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.8 | -34.1 | 179 | -147.8 | 178.8 | -150.3 | 0 | 0 | 112.4 | R222 Q223 L224 T229 K230 | R222-E226 WeakPolarHBondContact O-CB 2.97Å; R222-E226 PolarHBondContact O-N 3.48Å; Q223-E226 PolarHBondContact O-N 3.24Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-E226 PolarHBondContact O-N 3.41Å; E226-T229 PolarHBondContact O-OG1 3.35Å; E226-K230 WeakPolarHBondContact O-CG 3.46Å; E226-K230 PolarHBondContact O-N 3.36Å; E226-K230 VanDerWaalsContact O-N 3.11Å |
| 227 | S | 83.2 | Confident | 82.7 | Confident | 54 Ų | 54 | 98.2 Ų | 98.2 | 38% | 0.378 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 172.5 | 76.6 | 0 | 0 | 0 | 0 | 111.9 | Q223 L224 K230 L231 | Q223-S227 WeakPolarHBondContact O-CB 3.1Å; Q223-S227 PolarHBondContact O-N 2.93Å; Q223-S227 PolarHBondContact O-OG 2.61Å; L224-S227 PolarHBondContact O-N 2.84Å; L224-S227 PolarHBondContact O-OG 2.75Å; S227-K230 PolarHBondContact O-N 3.28Å; S227-L231 WeakPolarHBondContact O-CB 3.4Å; S227-L231 PolarHBondContact O-N 3.32Å |
| 228 | A | 83.3 | Confident | 82.2 | Confident | 42 Ų | 42 | 97.3 Ų | 97.3 | 35% | 0.347 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L224 Q225 L231 Q232 | L224-A228 WeakPolarHBondContact O-CB 3.2Å; L224-A228 PolarHBondContact O-N 3.25Å; Q225-A228 PolarHBondContact O-N 3.32Å; A228-L231 PolarHBondContact O-N 3.24Å; A228-Q232 WeakPolarHBondContact O-CB 3.3Å; A228-Q232 PolarHBondContact O-N 3.39Å |
| 229 | T | 87.8 | Confident | 81.2 | Confident | 71 Ų | 71 | 101.5 Ų | 101.5 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 175.6 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | Q225 E226 Q232 T233 | Q225-T229 WeakPolarHBondContact O-CG2 3.49Å; Q225-T229 PolarHBondContact O-N 3.13Å; Q225-T229 PolarHBondContact O-OG1 3.09Å; E226-T229 PolarHBondContact O-OG1 3.35Å; T229-Q232 PolarHBondContact O-N 3.42Å; T229-T233 PolarHBondContact O-N 2.92Å; T229-T233 PolarHBondContact O-OG1 2.99Å |
| 230 | K | 88.3 | Confident | 80 | Confident | 126 Ų | 126 | 102 Ų | 102 | 55% | 0.548 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 170.6 | -77.3 | 175.3 | -177.2 | 168.6 | 0 | 112.4 | E226 S227 T233 L234 | E226-K230 WeakPolarHBondContact O-CG 3.46Å; E226-K230 PolarHBondContact O-N 3.36Å; E226-K230 VanDerWaalsContact O-N 3.11Å; S227-K230 PolarHBondContact O-N 3.28Å; K230-T233 WeakPolarHBondContact CA-OG1 3.25Å; K230-T233 PolarHBondContact O-N 3.1Å; K230-T233 PolarHBondContact O-OG1 3Å; K230-L234 WeakPolarHBondContact O-CB 3.32Å; K230-L234 WeakPolarHBondContact O-CG 3.39Å; K230-L234 PolarHBondContact O-N 3.44Å |
| 231 | L | 78.4 | Confident | 78.6 | Confident | 118 Ų | 118 | 104.1 Ų | 104.1 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.9 | -41 | 173.6 | -98.3 | 159.6 | 0 | 0 | 0 | 112.2 | S227 A228 L234 R235 | S227-L231 WeakPolarHBondContact O-CB 3.4Å; S227-L231 PolarHBondContact O-N 3.32Å; A228-L231 PolarHBondContact O-N 3.24Å; L231-L234 PolarHBondContact O-N 2.99Å; L231-R235 VanDerWaalsContact O-CB 3.25Å; L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 PolarHBondContact O-N 3.25Å |
| 232 | Q | 79.4 | Confident | 77.1 | Confident | 110 Ų | 110 | 107.5 Ų | 107.5 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 177 | -157 | 88.1 | 13.8 | 0 | 0 | 111.1 | A228 T229 R235 D236 | A228-Q232 WeakPolarHBondContact O-CB 3.3Å; A228-Q232 PolarHBondContact O-N 3.39Å; T229-Q232 PolarHBondContact O-N 3.42Å; Q232-R235 WeakPolarHBondContact O-CB 3.31Å; Q232-R235 PolarHBondContact O-N 2.75Å; Q232-D236 PolarHBondContact O-N 3.15Å |
| 233 | T | 84.6 | Confident | 75.3 | Confident | 73 Ų | 73 | 109.9 Ų | 109.9 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.6 | -39 | 178.4 | 43.7 | 0 | 0 | 0 | 0 | 112.9 | T229 K230 R235 D236 Q237 | T229-T233 PolarHBondContact O-N 2.92Å; T229-T233 PolarHBondContact O-OG1 2.99Å; K230-T233 WeakPolarHBondContact CA-OG1 3.25Å; K230-T233 PolarHBondContact O-N 3.1Å; K230-T233 PolarHBondContact O-OG1 3Å; T233-R235 VanDerWaalsContact C-N 3.34Å; T233-D236 PolarHBondContact O-N 3.25Å; T233-Q237 WeakPolarHBondContact O-CB 3.46Å; T233-Q237 VanDerWaalsContact O-CG 3.26Å; T233-Q237 WeakPolarHBondContact O-CG 3.33Å; T233-Q237 PolarHBondContact O-N 3.35Å |
| 234 | L | 78.9 | Confident | 73.4 | Confident | 101 Ų | 101 | 107 Ų | 107 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.9 | -39.2 | 171.5 | -78.6 | 168.4 | 0 | 0 | 0 | 112 | K230 L231 Q237 C238 | K230-L234 WeakPolarHBondContact O-CB 3.32Å; K230-L234 WeakPolarHBondContact O-CG 3.39Å; K230-L234 PolarHBondContact O-N 3.44Å; L231-L234 PolarHBondContact O-N 2.99Å; L234-Q237 PolarHBondContact O-N 3.1Å; L234-C238 PolarHBondContact O-N 3.48Å |
| 235 | R | 75.8 | Confident | 71.9 | Confident | 152 Ų | 152 | 105.5 Ų | 105.5 | 57% | 0.574 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.8 | -48.4 | 174.7 | -175.7 | 179.3 | -147.3 | 168.9 | 5.6 | 110.7 | L231 Q232 T233 Q237 C238 F239 | L231-R235 VanDerWaalsContact O-CB 3.25Å; L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 PolarHBondContact O-N 3.25Å; Q232-R235 WeakPolarHBondContact O-CB 3.31Å; Q232-R235 PolarHBondContact O-N 2.75Å; T233-R235 VanDerWaalsContact C-N 3.34Å; R235-Q237 VanDerWaalsContact C-N 3.29Å; R235-Q237 PolarHBondContact O-N 3.43Å; R235-C238 PolarHBondContact O-N 3.22Å; R235-F239 HydrophobicContact CG-CD2 3.76Å; R235-F239 HydrophobicContact CG-CE2 3.57Å; R235-F239 WeakPolarHBondContact O-CD2 3.48Å; R235-F239 PolarHBondContact O-N 2.9Å |
| 236 | D | 76.3 | Confident | 70.5 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -35.1 | 178.5 | -64 | -25.4 | 0 | 0 | 0 | 111.7 | Q232 T233 A240 | Q232-D236 PolarHBondContact O-N 3.15Å; T233-D236 PolarHBondContact O-N 3.25Å; D236-A240 WeakPolarHBondContact O-CB 3.48Å; D236-A240 PolarHBondContact O-N 3.11Å |
| 237 | Q | 72.8 | Confident | 69 | Low | 119 Ų | 119 | 104.3 Ų | 104.3 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.7 | -41.5 | 172.5 | -74.2 | 174.1 | 23.6 | 0 | 0 | 112.9 | T233 L234 R235 A240 Q241 | T233-Q237 WeakPolarHBondContact O-CB 3.46Å; T233-Q237 VanDerWaalsContact O-CG 3.26Å; T233-Q237 WeakPolarHBondContact O-CG 3.33Å; T233-Q237 PolarHBondContact O-N 3.35Å; L234-Q237 PolarHBondContact O-N 3.1Å; R235-Q237 VanDerWaalsContact C-N 3.29Å; R235-Q237 PolarHBondContact O-N 3.43Å; Q237-A240 PolarHBondContact O-N 3.44Å; Q237-Q241 PolarHBondContact O-N 3.38Å |
| 238 | C | 60.9 | Low | 67.8 | Low | 79 Ų | 79 | 107.1 Ų | 107.1 | 53% | 0.534 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.6 | -41.5 | 173.7 | -96 | 0 | 0 | 0 | 0 | 111.9 | L234 R235 A240 Q241 H242 | L234-C238 PolarHBondContact O-N 3.48Å; R235-C238 PolarHBondContact O-N 3.22Å; C238-A240 VanDerWaalsContact C-N 3.34Å; C238-Q241 PolarHBondContact O-N 2.8Å; C238-H242 PolarHBondContact O-N 2.97Å |
| 239 | F | 58.9 | Low | 66.9 | Low | 138 Ų | 138 | 108.3 Ų | 108.3 | 61% | 0.605 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.2 | -31.1 | 175.2 | -79.7 | -69.8 | 0 | 0 | 0 | 112.6 | R235 | R235-F239 HydrophobicContact CG-CD2 3.76Å; R235-F239 HydrophobicContact CG-CE2 3.57Å; R235-F239 WeakPolarHBondContact O-CD2 3.48Å; R235-F239 PolarHBondContact O-N 2.9Å |
| 240 | A | 58.5 | Low | 66.1 | Low | 69 Ų | 69 | 108.1 Ų | 108.1 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.6 | -37.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D236 Q237 C238 H242 K243 | D236-A240 WeakPolarHBondContact O-CB 3.48Å; D236-A240 PolarHBondContact O-N 3.11Å; Q237-A240 PolarHBondContact O-N 3.44Å; C238-A240 VanDerWaalsContact C-N 3.34Å; A240-H242 VanDerWaalsContact C-N 3.3Å; A240-H242 PolarHBondContact O-N 3.06Å; A240-K243 PolarHBondContact O-N 2.89Å |
| 241 | Q | 53.3 | Low | 65.6 | Low | 151 Ų | 151 | 106 Ų | 106 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.3 | -27.1 | 175.7 | -105 | 176.6 | -3.2 | 0 | 0 | 113.3 | Q237 C238 K243 A244 | Q237-Q241 PolarHBondContact O-N 3.38Å; C238-Q241 PolarHBondContact O-N 2.8Å; Q241-K243 PolarHBondContact O-N 3.01Å; Q241-A244 PolarHBondContact O-N 3.32Å |
| 242 | H | 53.3 | Low | 65.3 | Low | 126 Ų | 126 | 103.4 Ų | 103.4 | 58% | 0.583 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -4.5 | 176.3 | -101.1 | -75.1 | 0 | 0 | 0 | 114.9 | C238 A240 | C238-H242 PolarHBondContact O-N 2.97Å; A240-H242 VanDerWaalsContact C-N 3.3Å; A240-H242 PolarHBondContact O-N 3.06Å |
| 243 | K | 49.7 | Very low | 65.3 | Low | 196 Ų | 196 | 104.4 Ų | 104.4 | 85% | 0.852 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -7.2 | 172.5 | -80.8 | -167.1 | 176 | -178.3 | 0 | 114.7 | A240 Q241 | A240-K243 PolarHBondContact O-N 2.89Å; Q241-K243 PolarHBondContact O-N 3.01Å |
| 244 | A | 49.7 | Very low | 65.2 | Low | 68 Ų | 68 | 107.7 Ų | 107.7 | 56% | 0.562 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -103.9 | 111.1 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q241 T246 | Q241-A244 PolarHBondContact O-N 3.32Å; A244-T246 PolarHBondContact O-N 3.39Å; A244-T246 PolarHBondContact O-OG1 3.5Å |
| 245 | G | 57.9 | Low | 65.2 | Low | 87 Ų | 87 | 107.6 Ų | 107.6 | 90% | 0.897 | 58% | 0.584 | S | S | * | * | trans | -45.9 | 110.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 246 | T | 56.9 | Low | 65.6 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | trans | -134.6 | 117.9 | 165.8 | -55.2 | 0 | 0 | 0 | 0 | 106.7 | A244 T248 | A244-T246 PolarHBondContact O-N 3.39Å; A244-T246 PolarHBondContact O-OG1 3.5Å; T246-T248 PolarHBondContact O-N 3.48Å | ||
| 247 | D | 60.5 | Low | 66.3 | Low | 108 Ų | 108 | 108.2 Ų | 108.2 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | trans | -6.3 | 84.8 | 176 | -55.5 | -30.5 | 0 | 0 | 0 | 116.3 | S249 T250 I251 | D247-S249 PolarHBondContact O-N 3.24Å; D247-S249 VanDerWaalsContact O-N 3.11Å; D247-T250 WeakPolarHBondContact CB-OG1 3.38Å; D247-T250 PolarHBondContact O-N 2.98Å; D247-I251 PolarHBondContact O-N 2.92Å | ||
| 248 | T | 58.7 | Low | 67.2 | Low | 113 Ų | 113 | 105.7 Ų | 105.7 | 69% | 0.693 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -52.2 | -28.8 | 169.6 | 41 | 0 | 0 | 0 | 0 | 112.3 | T246 D252 | T246-T248 PolarHBondContact O-N 3.48Å; T248-D252 VanDerWaalsContact O-CB 3.3Å; T248-D252 WeakPolarHBondContact O-CB 3.46Å; T248-D252 PolarHBondContact O-N 3.47Å |
| 249 | S | 64 | Low | 68.5 | Low | 67 Ų | 67 | 106.7 Ų | 106.7 | 47% | 0.469 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.5 | -38.8 | 172.9 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | D247 Q253 | D247-S249 PolarHBondContact O-N 3.24Å; D247-S249 VanDerWaalsContact O-N 3.11Å; S249-Q253 WeakPolarHBondContact O-CB 3.46Å; S249-Q253 PolarHBondContact O-N 3.17Å |
| 250 | T | 72.3 | Confident | 70 | Confident | 66 Ų | 66 | 103.2 Ų | 103.2 | 41% | 0.405 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -75.5 | -35.5 | -176.9 | -46 | 0 | 0 | 0 | 0 | 111.5 | D247 K254 | D247-T250 WeakPolarHBondContact CB-OG1 3.38Å; D247-T250 PolarHBondContact O-N 2.98Å; T250-K254 WeakPolarHBondContact O-CB 3.42Å; T250-K254 VanDerWaalsContact O-CG 3.3Å; T250-K254 WeakPolarHBondContact O-CG 3.33Å; T250-K254 PolarHBondContact O-N 3.01Å |
| 251 | I | 77.5 | Confident | 71.7 | Confident | 83 Ų | 83 | 104.5 Ų | 104.5 | 43% | 0.426 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.4 | -44 | 175.5 | -64.1 | 171.4 | 0 | 0 | 0 | 110.1 | D247 K254 L255 | D247-I251 PolarHBondContact O-N 2.92Å; I251-K254 PolarHBondContact O-N 3.07Å; I251-L255 WeakPolarHBondContact O-CB 3.47Å; I251-L255 PolarHBondContact O-N 3.29Å |
| 252 | D | 71.8 | Confident | 73.6 | Confident | 63 Ų | 63 | 103.3 Ų | 103.3 | 34% | 0.337 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.3 | -41.6 | 176.3 | 177.5 | 76.2 | 0 | 0 | 0 | 111.9 | T248 K254 L255 R256 | T248-D252 VanDerWaalsContact O-CB 3.3Å; T248-D252 WeakPolarHBondContact O-CB 3.46Å; T248-D252 PolarHBondContact O-N 3.47Å; D252-K254 PolarHBondContact O-N 2.85Å; D252-L255 PolarHBondContact O-N 2.89Å; D252-R256 WeakPolarHBondContact O-CG 3.41Å; D252-R256 PolarHBondContact O-N 2.88Å; D252-R256 IonicContact OD1-NE 2.92Å; D252-R256 IonicContact OD1-NH2 2.91Å; D252-R256 IonicContact OD2-CZ 2.65Å; D252-R256 IonicContact OD2-NE 3.78Å; D252-R256 PolarHBondContact OD2-NE 3.44Å; D252-R256 IonicContact OD2-NH2 3.3Å; D252-R256 PolarHBondContact OD2-NH2 3.39Å |
| 253 | Q | 79.3 | Confident | 75.4 | Confident | 130 Ų | 130 | 104 Ų | 104 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.7 | -45 | 173.2 | -138 | 96.3 | 7.9 | 0 | 0 | 111.9 | S249 R256 L257 | S249-Q253 WeakPolarHBondContact O-CB 3.46Å; S249-Q253 PolarHBondContact O-N 3.17Å; Q253-R256 PolarHBondContact O-N 3.28Å; Q253-L257 WeakPolarHBondContact O-CB 3.23Å; Q253-L257 PolarHBondContact O-N 2.72Å |
| 254 | K | 81.7 | Confident | 77.5 | Confident | 142 Ų | 142 | 100.3 Ų | 100.3 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | 177.7 | -76.9 | 178.6 | 179.2 | -176.1 | 0 | 111.7 | T250 I251 D252 L257 V258 | T250-K254 WeakPolarHBondContact O-CB 3.42Å; T250-K254 VanDerWaalsContact O-CG 3.3Å; T250-K254 WeakPolarHBondContact O-CG 3.33Å; T250-K254 PolarHBondContact O-N 3.01Å; I251-K254 PolarHBondContact O-N 3.07Å; D252-K254 PolarHBondContact O-N 2.85Å; K254-L257 PolarHBondContact O-N 3.42Å; K254-V258 WeakPolarHBondContact O-CB 3.19Å; K254-V258 VanDerWaalsContact O-CG2 3.26Å; K254-V258 WeakPolarHBondContact O-CG2 3.4Å; K254-V258 PolarHBondContact O-N 3.26Å |
| 255 | L | 80.5 | Confident | 79.6 | Confident | 100 Ų | 100 | 102.7 Ų | 102.7 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 178 | -175 | 64.6 | 0 | 0 | 0 | 111.2 | I251 D252 L257 V258 I259 | I251-L255 WeakPolarHBondContact O-CB 3.47Å; I251-L255 PolarHBondContact O-N 3.29Å; D252-L255 PolarHBondContact O-N 2.89Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 2.95Å; L255-V258 PolarHBondContact O-N 2.79Å; L255-I259 HydrophobicContact CD1-CD1 4.17Å; L255-I259 HydrophobicContact CD1-CG1 4.42Å; L255-I259 HydrophobicContact CD2-CD1 4.49Å; L255-I259 HydrophobicContact CG-CD1 3.83Å; L255-I259 HydrophobicContact CG-CG1 4.47Å; L255-I259 WeakPolarHBondContact O-CB 3.41Å; L255-I259 WeakPolarHBondContact O-CG1 3.35Å; L255-I259 PolarHBondContact O-N 3.41Å |
| 256 | R | 82.5 | Confident | 81.2 | Confident | 153 Ų | 153 | 103 Ų | 103 | 58% | 0.577 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.8 | -38.3 | 173.8 | -71.6 | 179.8 | -147.9 | -129.9 | 8.1 | 112.4 | D252 Q253 S260 | D252-R256 WeakPolarHBondContact O-CG 3.41Å; D252-R256 PolarHBondContact O-N 2.88Å; D252-R256 IonicContact OD1-NE 2.92Å; D252-R256 IonicContact OD1-NH2 2.91Å; D252-R256 IonicContact OD2-CZ 2.65Å; D252-R256 IonicContact OD2-NE 3.78Å; D252-R256 PolarHBondContact OD2-NE 3.44Å; D252-R256 IonicContact OD2-NH2 3.3Å; D252-R256 PolarHBondContact OD2-NH2 3.39Å; Q253-R256 PolarHBondContact O-N 3.28Å; R256-S260 WeakPolarHBondContact O-CB 3.45Å; R256-S260 PolarHBondContact O-N 3.44Å; R256-S260 PolarHBondContact O-OG 2.98Å; R256-S260 VanDerWaalsContact O-OG 3.1Å |
| 257 | L | 91 | Very high | 82.8 | Confident | 105 Ų | 105 | 101 Ų | 101 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68 | -47.1 | 178.3 | -162.8 | 144.9 | 0 | 0 | 0 | 110.6 | Q253 K254 L255 I259 S260 D261 | Q253-L257 WeakPolarHBondContact O-CB 3.23Å; Q253-L257 PolarHBondContact O-N 2.72Å; K254-L257 PolarHBondContact O-N 3.42Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 2.95Å; L257-I259 PolarHBondContact O-N 3.5Å; L257-S260 WeakPolarHBondContact O-CB 3.45Å; L257-S260 PolarHBondContact O-N 3.06Å; L257-S260 VanDerWaalsContact O-N 3.16Å; L257-D261 WeakPolarHBondContact CD2-OD2 3.41Å; L257-D261 VanDerWaalsContact O-CG 3.32Å; L257-D261 PolarHBondContact O-N 3.46Å |
| 258 | V | 92.1 | Very high | 84.3 | Confident | 65 Ų | 65 | 98.4 Ų | 98.4 | 39% | 0.394 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 174.9 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | K254 L255 S260 D261 F262 | K254-V258 WeakPolarHBondContact O-CB 3.19Å; K254-V258 VanDerWaalsContact O-CG2 3.26Å; K254-V258 WeakPolarHBondContact O-CG2 3.4Å; K254-V258 PolarHBondContact O-N 3.26Å; L255-V258 PolarHBondContact O-N 2.79Å; V258-S260 VanDerWaalsContact C-N 3.34Å; V258-D261 PolarHBondContact O-N 3.38Å; V258-F262 HydrophobicContact CG1-CD2 3.54Å; V258-F262 HydrophobicContact CG1-CE2 3.38Å; V258-F262 WeakPolarHBondContact O-CB 3.28Å; V258-F262 WeakPolarHBondContact O-CD2 3.13Å; V258-F262 PolarHBondContact O-N 3.5Å |
| 259 | I | 88.1 | Confident | 85.8 | Confident | 100 Ų | 100 | 98.9 Ų | 98.9 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.8 | -70.1 | 168.1 | 0 | 0 | 0 | 110.8 | L255 L257 F262 Y263 | L255-I259 HydrophobicContact CD1-CD1 4.17Å; L255-I259 HydrophobicContact CD1-CG1 4.42Å; L255-I259 HydrophobicContact CD2-CD1 4.49Å; L255-I259 HydrophobicContact CG-CD1 3.83Å; L255-I259 HydrophobicContact CG-CG1 4.47Å; L255-I259 WeakPolarHBondContact O-CB 3.41Å; L255-I259 WeakPolarHBondContact O-CG1 3.35Å; L255-I259 PolarHBondContact O-N 3.41Å; L257-I259 PolarHBondContact O-N 3.5Å; I259-F262 PolarHBondContact O-N 3.36Å; I259-Y263 WeakPolarHBondContact O-CB 3.08Å; I259-Y263 PolarHBondContact O-N 2.94Å |
| 260 | S | 90.9 | Very high | 87 | Confident | 66 Ų | 66 | 99.4 Ų | 99.4 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.3 | -72.3 | 0 | 0 | 0 | 0 | 111.6 | R256 L257 V258 F262 Y263 Q264 | R256-S260 WeakPolarHBondContact O-CB 3.45Å; R256-S260 PolarHBondContact O-N 3.44Å; R256-S260 PolarHBondContact O-OG 2.98Å; R256-S260 VanDerWaalsContact O-OG 3.1Å; L257-S260 WeakPolarHBondContact O-CB 3.45Å; L257-S260 PolarHBondContact O-N 3.06Å; L257-S260 VanDerWaalsContact O-N 3.16Å; V258-S260 VanDerWaalsContact C-N 3.34Å; S260-F262 PolarHBondContact O-N 3.02Å; S260-Y263 WeakPolarHBondContact O-CB 3.48Å; S260-Y263 PolarHBondContact O-N 3.38Å; S260-Q264 VanDerWaalsContact O-CG 3.3Å; S260-Q264 WeakPolarHBondContact O-CG 3.21Å; S260-Q264 PolarHBondContact O-N 3.27Å |
| 261 | D | 94.1 | Very high | 87.7 | Confident | 95 Ų | 95 | 102.3 Ų | 102.3 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 178.5 | -70.9 | -8.9 | 0 | 0 | 0 | 111 | L257 V258 Q264 L265 | L257-D261 WeakPolarHBondContact CD2-OD2 3.41Å; L257-D261 VanDerWaalsContact O-CG 3.32Å; L257-D261 PolarHBondContact O-N 3.46Å; V258-D261 PolarHBondContact O-N 3.38Å; D261-Q264 PolarHBondContact O-N 3.24Å; D261-L265 WeakPolarHBondContact O-CB 3.4Å; D261-L265 PolarHBondContact O-N 2.98Å |
| 262 | F | 93.6 | Very high | 88.1 | Confident | 127 Ų | 127 | 101.5 Ų | 101.5 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 173.3 | -83.7 | -62.2 | 0 | 0 | 0 | 112.3 | V258 I259 S260 Q264 L265 I266 | V258-F262 HydrophobicContact CG1-CD2 3.54Å; V258-F262 HydrophobicContact CG1-CE2 3.38Å; V258-F262 WeakPolarHBondContact O-CB 3.28Å; V258-F262 WeakPolarHBondContact O-CD2 3.13Å; V258-F262 PolarHBondContact O-N 3.5Å; I259-F262 PolarHBondContact O-N 3.36Å; S260-F262 PolarHBondContact O-N 3.02Å; F262-Q264 VanDerWaalsContact C-N 3.34Å; F262-L265 PolarHBondContact O-N 3.3Å; F262-I266 VanDerWaalsContact O-CG1 3.28Å; F262-I266 WeakPolarHBondContact O-CG1 3.29Å; F262-I266 PolarHBondContact O-N 2.77Å |
| 263 | Y | 91.1 | Very high | 88.6 | Confident | 141 Ų | 141 | 102.7 Ų | 102.7 | 55% | 0.553 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 176.9 | -174.3 | -103.6 | 0 | 0 | 0 | 111.4 | I259 S260 I266 L267 | I259-Y263 WeakPolarHBondContact O-CB 3.08Å; I259-Y263 PolarHBondContact O-N 2.94Å; S260-Y263 WeakPolarHBondContact O-CB 3.48Å; S260-Y263 PolarHBondContact O-N 3.38Å; Y263-I266 PolarHBondContact O-N 3.19Å; Y263-L267 HydrophobicContact CD1-CD1 3.78Å; Y263-L267 HydrophobicContact CD1-CG 4.31Å; Y263-L267 HydrophobicContact CE1-CD1 3.36Å; Y263-L267 HydrophobicContact CE1-CG 4.02Å; Y263-L267 WeakPolarHBondContact O-CG 3.44Å; Y263-L267 PolarHBondContact O-N 2.89Å |
| 264 | Q | 92.9 | Very high | 88.7 | Confident | 118 Ų | 118 | 101.8 Ų | 101.8 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -39.1 | 174.2 | -68.6 | -61.6 | -28.5 | 0 | 0 | 112.1 | S260 D261 F262 L267 A268 | S260-Q264 VanDerWaalsContact O-CG 3.3Å; S260-Q264 WeakPolarHBondContact O-CG 3.21Å; S260-Q264 PolarHBondContact O-N 3.27Å; D261-Q264 PolarHBondContact O-N 3.24Å; F262-Q264 VanDerWaalsContact C-N 3.34Å; Q264-L267 PolarHBondContact O-N 3.32Å; Q264-A268 WeakPolarHBondContact O-CB 3.49Å; Q264-A268 PolarHBondContact O-N 3.47Å |
| 265 | L | 94.3 | Very high | 88.6 | Confident | 118 Ų | 118 | 99.5 Ų | 99.5 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.9 | -41 | 175.9 | -161 | 81.1 | 0 | 0 | 0 | 111.7 | D261 F262 A268 F269 | D261-L265 WeakPolarHBondContact O-CB 3.4Å; D261-L265 PolarHBondContact O-N 2.98Å; F262-L265 PolarHBondContact O-N 3.3Å; L265-A268 PolarHBondContact O-N 3.01Å; L265-F269 WeakPolarHBondContact O-CB 3.47Å; L265-F269 PolarHBondContact O-N 3.29Å |
| 266 | I | 91.1 | Very high | 88.4 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 175.3 | -70.5 | 166.7 | 0 | 0 | 0 | 110.3 | F262 Y263 F269 L270 | F262-I266 VanDerWaalsContact O-CG1 3.28Å; F262-I266 WeakPolarHBondContact O-CG1 3.29Å; F262-I266 PolarHBondContact O-N 2.77Å; Y263-I266 PolarHBondContact O-N 3.19Å; I266-F269 PolarHBondContact O-N 3.38Å; I266-L270 HydrophobicContact CG2-CD1 3.92Å; I266-L270 HydrophobicContact CG2-CG 4.37Å; I266-L270 WeakPolarHBondContact O-CB 3.3Å; I266-L270 VanDerWaalsContact O-CG 3.29Å; I266-L270 WeakPolarHBondContact O-CG 3.27Å; I266-L270 PolarHBondContact O-N 3.23Å |
| 267 | L | 91.4 | Very high | 87.7 | Confident | 68 Ų | 68 | 97.7 Ų | 97.7 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.9 | -73.9 | 178.9 | 0 | 0 | 0 | 112 | Y263 Q264 F269 L270 Q271 | Y263-L267 HydrophobicContact CD1-CD1 3.78Å; Y263-L267 HydrophobicContact CD1-CG 4.31Å; Y263-L267 HydrophobicContact CE1-CD1 3.36Å; Y263-L267 HydrophobicContact CE1-CG 4.02Å; Y263-L267 WeakPolarHBondContact O-CG 3.44Å; Y263-L267 PolarHBondContact O-N 2.89Å; Q264-L267 PolarHBondContact O-N 3.32Å; L267-F269 VanDerWaalsContact C-N 3.34Å; L267-F269 PolarHBondContact O-N 3.47Å; L267-L270 PolarHBondContact O-N 3.05Å; L267-Q271 WeakPolarHBondContact O-CB 3.35Å; L267-Q271 PolarHBondContact O-N 3.42Å |
| 268 | A | 92.3 | Very high | 86.6 | Confident | 52 Ų | 52 | 93.2 Ų | 93.2 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q264 L265 Q271 V272 | Q264-A268 WeakPolarHBondContact O-CB 3.49Å; Q264-A268 PolarHBondContact O-N 3.47Å; L265-A268 PolarHBondContact O-N 3.01Å; A268-Q271 PolarHBondContact O-N 2.83Å; A268-V272 WeakPolarHBondContact O-CG2 3.43Å; A268-V272 PolarHBondContact O-N 2.88Å |
| 269 | F | 90.1 | Very high | 85.4 | Confident | 123 Ų | 123 | 97.5 Ų | 97.5 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 174.4 | 172.9 | -94.4 | 0 | 0 | 0 | 112 | L265 I266 L267 Q271 V272 Y273 | L265-F269 WeakPolarHBondContact O-CB 3.47Å; L265-F269 PolarHBondContact O-N 3.29Å; I266-F269 PolarHBondContact O-N 3.38Å; L267-F269 VanDerWaalsContact C-N 3.34Å; L267-F269 PolarHBondContact O-N 3.47Å; F269-Q271 VanDerWaalsContact C-N 3.29Å; F269-Q271 PolarHBondContact O-N 3.21Å; F269-V272 PolarHBondContact O-N 3.46Å; F269-Y273 VanDerWaalsContact O-CB 3.23Å; F269-Y273 WeakPolarHBondContact O-CB 3.49Å; F269-Y273 PolarHBondContact O-N 3.21Å |
| 270 | L | 87.8 | Confident | 84.2 | Confident | 79 Ų | 79 | 96.5 Ų | 96.5 | 41% | 0.414 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 178.2 | -73.5 | 170.2 | 0 | 0 | 0 | 111.3 | I266 L267 Y273 D274 | I266-L270 HydrophobicContact CG2-CD1 3.92Å; I266-L270 HydrophobicContact CG2-CG 4.37Å; I266-L270 WeakPolarHBondContact O-CB 3.3Å; I266-L270 VanDerWaalsContact O-CG 3.29Å; I266-L270 WeakPolarHBondContact O-CG 3.27Å; I266-L270 PolarHBondContact O-N 3.23Å; L267-L270 PolarHBondContact O-N 3.05Å; L270-Y273 WeakPolarHBondContact O-CB 3.47Å; L270-Y273 PolarHBondContact O-N 3.41Å; L270-D274 PolarHBondContact O-N 3.5Å |
| 271 | Q | 87.9 | Confident | 82.9 | Confident | 126 Ų | 126 | 96.9 Ų | 96.9 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.4 | -44.6 | 177.8 | -170.6 | 165.6 | -9.2 | 0 | 0 | 112.3 | L267 A268 F269 Y273 D274 D275 | L267-Q271 WeakPolarHBondContact O-CB 3.35Å; L267-Q271 PolarHBondContact O-N 3.42Å; A268-Q271 PolarHBondContact O-N 2.83Å; F269-Q271 VanDerWaalsContact C-N 3.29Å; F269-Q271 PolarHBondContact O-N 3.21Å; Q271-Y273 PolarHBondContact O-N 2.96Å; Q271-D274 PolarHBondContact O-N 3.27Å; Q271-D275 VanDerWaalsContact O-CB 3.32Å; Q271-D275 WeakPolarHBondContact O-CB 3.38Å; Q271-D275 PolarHBondContact O-N 2.91Å |
| 272 | V | 86.4 | Confident | 81.4 | Confident | 66 Ų | 66 | 100 Ų | 100 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | 172 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | A268 F269 E276 L277 | A268-V272 WeakPolarHBondContact O-CG2 3.43Å; A268-V272 PolarHBondContact O-N 2.88Å; F269-V272 PolarHBondContact O-N 3.46Å; V272-E276 HydrophobicContact CG1-CB 4.37Å; V272-E276 HydrophobicContact CG1-CG 4.49Å; V272-E276 WeakPolarHBondContact O-CA 3.4Å; V272-E276 WeakPolarHBondContact O-CB 3.28Å; V272-E276 PolarHBondContact O-N 3.22Å; V272-L277 PolarHBondContact O-N 2.8Å |
| 273 | Y | 82 | Confident | 79.8 | Confident | 89 Ų | 89 | 103.9 Ų | 103.9 | 35% | 0.349 | 51% | 0.513 | S | S | . | . | I | π-helix | trans | -62.1 | -49.5 | 174.5 | 179.4 | -90.7 | 0 | 0 | 0 | 110.9 | F269 L270 Q271 L277 G278 C281 | F269-Y273 VanDerWaalsContact O-CB 3.23Å; F269-Y273 WeakPolarHBondContact O-CB 3.49Å; F269-Y273 PolarHBondContact O-N 3.21Å; L270-Y273 WeakPolarHBondContact O-CB 3.47Å; L270-Y273 PolarHBondContact O-N 3.41Å; Q271-Y273 PolarHBondContact O-N 2.96Å; Y273-L277 HydrophobicContact CD2-CB 3.98Å; Y273-L277 HydrophobicContact CD2-CD1 4.44Å; Y273-L277 HydrophobicContact CE2-CB 4.49Å; Y273-L277 CarbonylContact O-C 3.55Å; Y273-L277 PolarHBondContact O-N 3.42Å; Y273-G278 VanDerWaalsContact O-CA 3.31Å; Y273-G278 WeakPolarHBondContact O-CA 3.29Å; Y273-G278 PolarHBondContact O-N 2.82Å; Y273-C281 PolarHBondContact OH-SG 3.42Å |
| 274 | D | 80.7 | Confident | 78.4 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 59% | 0.594 | 52% | 0.524 | S | S | * | . | I | π-helix | trans | -69.2 | -38.7 | -178.7 | -71.3 | -26.2 | 0 | 0 | 0 | 112.6 | L270 Q271 | L270-D274 PolarHBondContact O-N 3.5Å; Q271-D274 PolarHBondContact O-N 3.27Å |
| 275 | D | 78.9 | Confident | 76.7 | Confident | 94 Ų | 94 | 104.4 Ų | 104.4 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | I | π-helix | trans | -83.3 | -37.5 | -173.7 | -71.1 | -29.9 | 0 | 0 | 0 | 113.9 | Q271 K279 | Q271-D275 VanDerWaalsContact O-CB 3.32Å; Q271-D275 WeakPolarHBondContact O-CB 3.38Å; Q271-D275 PolarHBondContact O-N 2.91Å; D275-K279 PolarHBondContact O-NZ 3.34Å |
| 276 | E | 76.3 | Confident | 75.1 | Confident | 138 Ų | 138 | 103.5 Ų | 103.5 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | I | π-helix | trans | -113.5 | -48.3 | -172.4 | -58 | -167 | 176.1 | 0 | 0 | 113.7 | V272 | V272-E276 HydrophobicContact CG1-CB 4.37Å; V272-E276 HydrophobicContact CG1-CG 4.49Å; V272-E276 WeakPolarHBondContact O-CA 3.4Å; V272-E276 WeakPolarHBondContact O-CB 3.28Å; V272-E276 PolarHBondContact O-N 3.22Å |
| 277 | L | 68.5 | Low | 73.5 | Confident | 77 Ų | 77 | 104.7 Ų | 104.7 | 40% | 0.403 | 55% | 0.553 | S | S | . | * | I | π-helix | trans | -87.3 | -23.1 | -176 | -69.7 | 149.2 | 0 | 0 | 0 | 113.4 | V272 Y273 K279 C280 C281 | V272-L277 PolarHBondContact O-N 2.8Å; Y273-L277 HydrophobicContact CD2-CB 3.98Å; Y273-L277 HydrophobicContact CD2-CD1 4.44Å; Y273-L277 HydrophobicContact CE2-CB 4.49Å; Y273-L277 CarbonylContact O-C 3.55Å; Y273-L277 PolarHBondContact O-N 3.42Å; L277-K279 VanDerWaalsContact C-N 3.25Å; L277-K279 PolarHBondContact O-N 3.4Å; L277-C280 CarbonylContact O-C 3.6Å; L277-C280 WeakPolarHBondContact O-CA 3.34Å; L277-C280 VanDerWaalsContact O-CB 3.24Å; L277-C280 WeakPolarHBondContact O-CB 3.43Å; L277-C280 PolarHBondContact O-N 3Å; L277-C281 PolarHBondContact O-N 3.49Å; L277-C281 PolarHBondContact O-SG 3.16Å; L277-C281 VanDerWaalsContact O-SG 3.42Å |
| 278 | G | 67.5 | Low | 72.1 | Confident | 10 Ų | 10 | 108.7 Ų | 108.7 | 10% | 0.103 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -65 | -35.6 | -175 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y273 C280 C281 Q282 | Y273-G278 VanDerWaalsContact O-CA 3.31Å; Y273-G278 WeakPolarHBondContact O-CA 3.29Å; Y273-G278 PolarHBondContact O-N 2.82Å; G278-C280 VanDerWaalsContact C-N 3.29Å; G278-C280 PolarHBondContact O-N 3.17Å; G278-C281 PolarHBondContact O-N 3.43Å; G278-Q282 WeakPolarHBondContact O-CG 3.31Å; G278-Q282 PolarHBondContact O-N 3.29Å |
| 279 | K | 67.3 | Low | 70.8 | Confident | 156 Ų | 156 | 112.8 Ų | 112.8 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.3 | -31.8 | 170.6 | -64.8 | 170.9 | -172.7 | 141.8 | 0 | 112.5 | D275 L277 | D275-K279 PolarHBondContact O-NZ 3.34Å; L277-K279 VanDerWaalsContact C-N 3.25Å; L277-K279 PolarHBondContact O-N 3.4Å |
| 280 | C | 63 | Low | 69.9 | Low | 78 Ų | 78 | 112 Ų | 112 | 53% | 0.527 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -76.5 | -30.7 | 174.5 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | L277 G278 | L277-C280 CarbonylContact O-C 3.6Å; L277-C280 WeakPolarHBondContact O-CA 3.34Å; L277-C280 VanDerWaalsContact O-CB 3.24Å; L277-C280 WeakPolarHBondContact O-CB 3.43Å; L277-C280 PolarHBondContact O-N 3Å; G278-C280 VanDerWaalsContact C-N 3.29Å; G278-C280 PolarHBondContact O-N 3.17Å |
| 281 | C | 63.3 | Low | 69.2 | Low | 75 Ų | 75 | 109.8 Ų | 109.8 | 51% | 0.507 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -79.1 | -23.1 | 175.5 | -64 | 0 | 0 | 0 | 0 | 113.1 | Y273 L277 G278 R283 | Y273-C281 PolarHBondContact OH-SG 3.42Å; L277-C281 PolarHBondContact O-N 3.49Å; L277-C281 PolarHBondContact O-SG 3.16Å; L277-C281 VanDerWaalsContact O-SG 3.42Å; G278-C281 PolarHBondContact O-N 3.43Å; C281-R283 PolarHBondContact O-N 2.89Å; C281-R283 VanDerWaalsContact O-N 3.09Å |
| 282 | Q | 63.2 | Low | 68.8 | Low | 159 Ų | 159 | 105.5 Ų | 105.5 | 74% | 0.743 | 57% | 0.572 | S | S | * | * | trans | -79.8 | 36.1 | 171.5 | -71.1 | -179.4 | 22.7 | 0 | 0 | 112.9 | G278 P284 | G278-Q282 WeakPolarHBondContact O-CG 3.31Å; G278-Q282 PolarHBondContact O-N 3.29Å; Q282-P284 WeakPolarHBondContact O-CD 3.48Å | ||
| 283 | R | 60.3 | Low | 68.6 | Low | 210 Ų | 210 | 106.8 Ų | 106.8 | 79% | 0.792 | 58% | 0.582 | S | S | * | * | trans | -60.8 | 125.2 | 167.4 | -84.1 | 178.9 | -173.3 | 169.8 | 3 | 107.4 | C281 L285 | C281-R283 PolarHBondContact O-N 2.89Å; C281-R283 VanDerWaalsContact O-N 3.09Å; R283-L285 PolarHBondContact O-N 3.08Å | ||
| 284 | P | 60.3 | Low | 68.7 | Low | 119 Ų | 119 | 108 Ų | 108 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | trans | -52.3 | 135.2 | 169.8 | 20.7 | -29.3 | 0 | 0 | 0 | 107.5 | Q282 | Q282-P284 WeakPolarHBondContact O-CD 3.48Š| ||
| 285 | L | 58 | Low | 68.8 | Low | 150 Ų | 150 | 107.8 Ų | 107.8 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | trans | -42.6 | 132.3 | 178 | -167.1 | 70.6 | 0 | 0 | 0 | 108.1 | R283 S287 | R283-L285 PolarHBondContact O-N 3.08Å; L285-S287 PolarHBondContact O-N 3.34Å | ||
| 286 | P | 61.3 | Low | 69.2 | Low | 100 Ų | 100 | 109.2 Ų | 109.2 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | trans | -47.7 | 122 | 179.9 | -22.4 | 29.3 | 0 | 0 | 0 | 107.3 | L288 | P286-L288 PolarHBondContact O-N 3.25Š| ||
| 287 | S | 57.9 | Low | 69.8 | Low | 119 Ų | 119 | 105.2 Ų | 105.2 | 83% | 0.832 | 59% | 0.585 | S | S | * | * | trans | -64 | 93 | 179.7 | 56.1 | 0 | 0 | 0 | 0 | 106.6 | L285 H289 | L285-S287 PolarHBondContact O-N 3.34Å; S287-H289 PolarHBondContact O-N 2.97Å | ||
| 288 | L | 61.9 | Low | 70.9 | Confident | 152 Ų | 152 | 106 Ų | 106 | 80% | 0.796 | 59% | 0.592 | S | S | * | * | trans | -60 | 116.5 | 174.6 | -68.7 | 172.7 | 0 | 0 | 0 | 105.3 | P286 | P286-L288 PolarHBondContact O-N 3.25Š| ||
| 289 | H | 64.1 | Low | 72.2 | Confident | 137 Ų | 137 | 112.8 Ų | 112.8 | 63% | 0.634 | 62% | 0.616 | S | S | * | * | trans | -55.6 | 134.3 | -180 | -173.1 | -86.3 | 0 | 0 | 0 | 108.2 | S287 S291 G292 | S287-H289 PolarHBondContact O-N 2.97Å; H289-S291 WeakPolarHBondContact ND1-CB 3.42Å; H289-S291 PolarHBondContact ND1-N 2.97Å; H289-S291 PolarHBondContact ND1-OG 3.27Å; H289-S291 PolarHBondContact O-N 3.4Å; H289-G292 PolarHBondContact O-N 3.3Å; H289-G292 VanDerWaalsContact O-N 3.15Å | ||
| 290 | P | 70.4 | Confident | 73.4 | Confident | 108 Ų | 108 | 110 Ų | 110 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -0.7 | -174 | 24.5 | -34 | 0 | 0 | 0 | 114 | G292 | P290-G292 VanDerWaalsContact C-N 3.33Š|
| 291 | S | 75.1 | Confident | 74.7 | Confident | 31 Ų | 31 | 111 Ų | 111 | 22% | 0.217 | 61% | 0.609 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -10.2 | 173.4 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | H289 I294 I295 | H289-S291 WeakPolarHBondContact ND1-CB 3.42Å; H289-S291 PolarHBondContact ND1-N 2.97Å; H289-S291 PolarHBondContact ND1-OG 3.27Å; H289-S291 PolarHBondContact O-N 3.4Å; S291-I294 CarbonylContact O-C 3.53Å; S291-I294 WeakPolarHBondContact O-CA 3.45Å; S291-I294 WeakPolarHBondContact O-CB 3.26Å; S291-I294 PolarHBondContact O-N 3.2Å; S291-I295 WeakPolarHBondContact O-CG1 3.43Å; S291-I295 PolarHBondContact O-N 3.24Å |
| 292 | G | 78.1 | Confident | 76.2 | Confident | 37 Ų | 37 | 113.3 Ų | 113.3 | 38% | 0.381 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -50.4 | -53.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H289 P290 I294 I295 Q296 | H289-G292 PolarHBondContact O-N 3.3Å; H289-G292 VanDerWaalsContact O-N 3.15Å; P290-G292 VanDerWaalsContact C-N 3.33Å; G292-I294 VanDerWaalsContact C-N 3.29Å; G292-I294 PolarHBondContact O-N 2.65Å; G292-I295 PolarHBondContact O-N 3.29Å; G292-Q296 WeakPolarHBondContact O-CB 3.45Å; G292-Q296 PolarHBondContact O-N 3.24Å |
| 293 | P | 82.8 | Confident | 77.6 | Confident | 93 Ų | 93 | 108 Ų | 108 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.8 | -34.4 | 175.1 | -25.4 | 35.4 | 0 | 0 | 0 | 113.9 | A297 | P293-A297 WeakPolarHBondContact O-CB 3.39Å; P293-A297 PolarHBondContact O-N 2.91Å |
| 294 | I | 84.1 | Confident | 79.1 | Confident | 113 Ų | 113 | 100.8 Ų | 100.8 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.7 | -47.8 | 178.9 | -57.7 | 175.1 | 0 | 0 | 0 | 110.2 | S291 G292 Q296 A297 V298 | S291-I294 CarbonylContact O-C 3.53Å; S291-I294 WeakPolarHBondContact O-CA 3.45Å; S291-I294 WeakPolarHBondContact O-CB 3.26Å; S291-I294 PolarHBondContact O-N 3.2Å; G292-I294 VanDerWaalsContact C-N 3.29Å; G292-I294 PolarHBondContact O-N 2.65Å; I294-Q296 VanDerWaalsContact C-N 3.31Å; I294-Q296 PolarHBondContact O-N 3.05Å; I294-A297 PolarHBondContact O-N 2.93Å; I294-V298 VanDerWaalsContact O-CG2 3.31Å; I294-V298 WeakPolarHBondContact O-CG2 3.45Å; I294-V298 PolarHBondContact O-N 3.35Å |
| 295 | I | 83.2 | Confident | 80.6 | Confident | 108 Ų | 108 | 98 Ų | 98 | 55% | 0.554 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.9 | -41.3 | 177.9 | -65.8 | 167.5 | 0 | 0 | 0 | 110 | S291 G292 V298 Y299 | S291-I295 WeakPolarHBondContact O-CG1 3.43Å; S291-I295 PolarHBondContact O-N 3.24Å; G292-I295 PolarHBondContact O-N 3.29Å; I295-V298 PolarHBondContact O-N 3.38Å; I295-Y299 WeakPolarHBondContact O-CB 3.38Å; I295-Y299 PolarHBondContact O-N 3.17Å |
| 296 | Q | 86.3 | Confident | 82.2 | Confident | 124 Ų | 124 | 92.4 Ų | 92.4 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 175.4 | -175.9 | 174.8 | -7.7 | 0 | 0 | 111.6 | G292 I294 Y299 Q300 | G292-Q296 WeakPolarHBondContact O-CB 3.45Å; G292-Q296 PolarHBondContact O-N 3.24Å; I294-Q296 VanDerWaalsContact C-N 3.31Å; I294-Q296 PolarHBondContact O-N 3.05Å; Q296-Y299 PolarHBondContact O-N 3.11Å; Q296-Q300 WeakPolarHBondContact O-CB 3.44Å; Q296-Q300 VanDerWaalsContact O-CG 3.25Å; Q296-Q300 WeakPolarHBondContact O-CG 3.27Å; Q296-Q300 PolarHBondContact O-N 2.95Å |
| 297 | A | 88.8 | Confident | 83.7 | Confident | 53 Ų | 53 | 93.1 Ų | 93.1 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P293 I294 Y299 Q300 T301 | P293-A297 WeakPolarHBondContact O-CB 3.39Å; P293-A297 PolarHBondContact O-N 2.91Å; I294-A297 PolarHBondContact O-N 2.93Å; A297-Y299 PolarHBondContact O-N 2.9Å; A297-Q300 PolarHBondContact O-N 3.45Å; A297-T301 PolarHBondContact O-N 3.36Å; A297-T301 PolarHBondContact O-OG1 3.02Å |
| 298 | V | 93 | Very high | 85.3 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 56% | 0.564 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -45.7 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | I294 I295 Q300 T301 L302 | I294-V298 VanDerWaalsContact O-CG2 3.31Å; I294-V298 WeakPolarHBondContact O-CG2 3.45Å; I294-V298 PolarHBondContact O-N 3.35Å; I295-V298 PolarHBondContact O-N 3.38Å; V298-Q300 PolarHBondContact O-N 2.84Å; V298-T301 PolarHBondContact O-N 2.99Å; V298-L302 WeakPolarHBondContact O-CB 3.26Å; V298-L302 PolarHBondContact O-N 2.98Å |
| 299 | Y | 93.1 | Very high | 86.7 | Confident | 154 Ų | 154 | 91 Ų | 91 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -43.4 | 177.5 | 178 | -95.4 | 0 | 0 | 0 | 112.2 | I295 Q296 A297 L302 T303 | I295-Y299 WeakPolarHBondContact O-CB 3.38Å; I295-Y299 PolarHBondContact O-N 3.17Å; Q296-Y299 PolarHBondContact O-N 3.11Å; A297-Y299 PolarHBondContact O-N 2.9Å; Y299-L302 PolarHBondContact O-N 3.46Å; Y299-T303 WeakPolarHBondContact O-CB 2.78Å; Y299-T303 PolarHBondContact O-N 3.23Å; Y299-T303 PolarHBondContact O-OG1 3.22Å |
| 300 | Q | 93.8 | Very high | 88.1 | Confident | 98 Ų | 98 | 91.8 Ų | 91.8 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 177.7 | -70 | -62.9 | -20.1 | 0 | 0 | 111.5 | Q296 A297 V298 L302 T303 S304 | Q296-Q300 WeakPolarHBondContact O-CB 3.44Å; Q296-Q300 VanDerWaalsContact O-CG 3.25Å; Q296-Q300 WeakPolarHBondContact O-CG 3.27Å; Q296-Q300 PolarHBondContact O-N 2.95Å; A297-Q300 PolarHBondContact O-N 3.45Å; V298-Q300 PolarHBondContact O-N 2.84Å; Q300-L302 VanDerWaalsContact C-N 3.35Å; Q300-L302 PolarHBondContact O-N 3.02Å; Q300-T303 WeakPolarHBondContact O-CB 3.21Å; Q300-T303 PolarHBondContact O-N 3.17Å; Q300-S304 PolarHBondContact O-N 3Å; Q300-S304 PolarHBondContact O-OG 3.44Å |
| 301 | T | 91 | Very high | 89.1 | Confident | 98 Ų | 98 | 88.6 Ų | 88.6 | 60% | 0.601 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 177 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | A297 V298 T303 S304 C305 | A297-T301 PolarHBondContact O-N 3.36Å; A297-T301 PolarHBondContact O-OG1 3.02Å; V298-T301 PolarHBondContact O-N 2.99Å; T301-T303 VanDerWaalsContact C-N 3.33Å; T301-T303 PolarHBondContact O-N 3.4Å; T301-S304 PolarHBondContact O-N 3.39Å; T301-C305 WeakPolarHBondContact O-CB 3.47Å; T301-C305 PolarHBondContact O-N 3.48Å |
| 302 | L | 94.3 | Very high | 89.7 | Confident | 123 Ų | 123 | 91.5 Ų | 91.5 | 64% | 0.644 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.3 | -39.9 | 177.2 | -171.9 | 65.7 | 0 | 0 | 0 | 111.5 | V298 Y299 Q300 C305 G306 | V298-L302 WeakPolarHBondContact O-CB 3.26Å; V298-L302 PolarHBondContact O-N 2.98Å; Y299-L302 PolarHBondContact O-N 3.46Å; Q300-L302 VanDerWaalsContact C-N 3.35Å; Q300-L302 PolarHBondContact O-N 3.02Å; L302-C305 PolarHBondContact O-N 3.31Å; L302-G306 PolarHBondContact O-N 3.22Å |
| 303 | T | 92.8 | Very high | 90.3 | Very high | 48 Ų | 48 | 95.7 Ų | 95.7 | 29% | 0.294 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 176.5 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | Y299 Q300 T301 C305 G306 Q307 | Y299-T303 WeakPolarHBondContact O-CB 2.78Å; Y299-T303 PolarHBondContact O-N 3.23Å; Y299-T303 PolarHBondContact O-OG1 3.22Å; Q300-T303 WeakPolarHBondContact O-CB 3.21Å; Q300-T303 PolarHBondContact O-N 3.17Å; T301-T303 VanDerWaalsContact C-N 3.33Å; T301-T303 PolarHBondContact O-N 3.4Å; T303-C305 VanDerWaalsContact C-N 3.34Å; T303-C305 PolarHBondContact O-N 3.09Å; T303-G306 PolarHBondContact O-N 3.17Å; T303-Q307 WeakPolarHBondContact O-CG 3.42Å; T303-Q307 PolarHBondContact O-N 3.08Å |
| 304 | S | 92.1 | Very high | 90.7 | Very high | 58 Ų | 58 | 96.8 Ų | 96.8 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 175.8 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | Q300 T301 Q307 L308 | Q300-S304 PolarHBondContact O-N 3Å; Q300-S304 PolarHBondContact O-OG 3.44Å; T301-S304 PolarHBondContact O-N 3.39Å; S304-Q307 PolarHBondContact O-N 2.56Å; S304-L308 PolarHBondContact O-N 2.87Å |
| 305 | C | 90.1 | Very high | 91 | Very high | 62 Ų | 62 | 96.9 Ų | 96.9 | 42% | 0.419 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 174.7 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | T301 L302 T303 Q307 L308 L309 | T301-C305 WeakPolarHBondContact O-CB 3.47Å; T301-C305 PolarHBondContact O-N 3.48Å; L302-C305 PolarHBondContact O-N 3.31Å; T303-C305 VanDerWaalsContact C-N 3.34Å; T303-C305 PolarHBondContact O-N 3.09Å; C305-Q307 VanDerWaalsContact C-N 3.3Å; C305-Q307 PolarHBondContact O-N 2.82Å; C305-L308 PolarHBondContact O-N 2.69Å; C305-L309 WeakPolarHBondContact O-CG 3.21Å; C305-L309 PolarHBondContact O-N 2.76Å |
| 306 | G | 92.7 | Very high | 91.3 | Very high | 32 Ų | 32 | 94.4 Ų | 94.4 | 33% | 0.33 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L302 T303 R310 | L302-G306 PolarHBondContact O-N 3.22Å; T303-G306 PolarHBondContact O-N 3.17Å; G306-R310 PolarHBondContact O-N 3.36Å; G306-R310 VanDerWaalsContact O-N 3.17Å |
| 307 | Q | 92.2 | Very high | 91.5 | Very high | 115 Ų | 115 | 93.3 Ų | 93.3 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 175 | -70.8 | 174.7 | -6.9 | 0 | 0 | 112.2 | T303 S304 C305 R310 A311 | T303-Q307 WeakPolarHBondContact O-CG 3.42Å; T303-Q307 PolarHBondContact O-N 3.08Å; S304-Q307 PolarHBondContact O-N 2.56Å; C305-Q307 VanDerWaalsContact C-N 3.3Å; C305-Q307 PolarHBondContact O-N 2.82Å; Q307-R310 PolarHBondContact O-N 2.91Å; Q307-A311 PolarHBondContact O-N 3.46Å |
| 308 | L | 92.4 | Very high | 91.6 | Very high | 121 Ų | 121 | 94.6 Ų | 94.6 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 175.7 | -77.4 | 166.3 | 0 | 0 | 0 | 111.7 | S304 C305 R310 A311 V312 | S304-L308 PolarHBondContact O-N 2.87Å; C305-L308 PolarHBondContact O-N 2.69Å; L308-R310 VanDerWaalsContact C-N 3.28Å; L308-R310 PolarHBondContact O-N 3.32Å; L308-A311 PolarHBondContact O-N 3.36Å; L308-V312 WeakPolarHBondContact O-CG2 3.26Å; L308-V312 PolarHBondContact O-N 2.88Å |
| 309 | L | 91.5 | Very high | 91.2 | Very high | 106 Ų | 106 | 93.3 Ų | 93.3 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -39.8 | 176.8 | -72.5 | 171.5 | 0 | 0 | 0 | 111.8 | C305 V312 M313 | C305-L309 WeakPolarHBondContact O-CG 3.21Å; C305-L309 PolarHBondContact O-N 2.76Å; L309-V312 PolarHBondContact O-N 3.49Å; L309-M313 WeakPolarHBondContact O-CG 3.2Å; L309-M313 PolarHBondContact O-N 3.21Å |
| 310 | R | 92 | Very high | 90.9 | Very high | 152 Ų | 152 | 88.6 Ų | 88.6 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 175.2 | -167.6 | 178.4 | -60.1 | 125.4 | 4.9 | 112.1 | G306 Q307 L308 V312 M313 E314 | G306-R310 PolarHBondContact O-N 3.36Å; G306-R310 VanDerWaalsContact O-N 3.17Å; Q307-R310 PolarHBondContact O-N 2.91Å; L308-R310 VanDerWaalsContact C-N 3.28Å; L308-R310 PolarHBondContact O-N 3.32Å; R310-V312 VanDerWaalsContact C-N 3.32Å; R310-V312 PolarHBondContact O-N 2.88Å; R310-M313 WeakPolarHBondContact O-CB 3.5Å; R310-M313 PolarHBondContact O-N 3.39Å; R310-E314 WeakPolarHBondContact O-CG 3.46Å; R310-E314 PolarHBondContact O-N 3.29Å |
| 311 | A | 91.1 | Very high | 90.7 | Very high | 41 Ų | 41 | 90.6 Ų | 90.6 | 34% | 0.339 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q307 L308 E314 I315 | Q307-A311 PolarHBondContact O-N 3.46Å; L308-A311 PolarHBondContact O-N 3.36Å; A311-E314 PolarHBondContact O-N 2.92Å; A311-I315 VanDerWaalsContact O-CG1 3.29Å; A311-I315 WeakPolarHBondContact O-CG1 3.47Å; A311-I315 PolarHBondContact O-N 3.46Å |
| 312 | V | 89.1 | Confident | 90.4 | Very high | 92 Ų | 92 | 88.8 Ų | 88.8 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -41.3 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | L308 L309 R310 I315 A316 | L308-V312 WeakPolarHBondContact O-CG2 3.26Å; L308-V312 PolarHBondContact O-N 2.88Å; L309-V312 PolarHBondContact O-N 3.49Å; R310-V312 VanDerWaalsContact C-N 3.32Å; R310-V312 PolarHBondContact O-N 2.88Å; V312-I315 PolarHBondContact O-N 3.36Å; V312-A316 WeakPolarHBondContact O-CB 3.38Å; V312-A316 PolarHBondContact O-N 2.94Å |
| 313 | M | 90 | Very high | 89.9 | Confident | 125 Ų | 125 | 87.8 Ų | 87.8 | 62% | 0.616 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 174.1 | -74.4 | 178.3 | 64 | 0 | 0 | 111.7 | L309 R310 I315 A316 D317 | L309-M313 WeakPolarHBondContact O-CG 3.2Å; L309-M313 PolarHBondContact O-N 3.21Å; R310-M313 WeakPolarHBondContact O-CB 3.5Å; R310-M313 PolarHBondContact O-N 3.39Å; M313-I315 VanDerWaalsContact C-N 3.33Å; M313-I315 PolarHBondContact O-N 3.48Å; M313-A316 WeakPolarHBondContact O-CB 3.49Å; M313-A316 PolarHBondContact O-N 3.27Å; M313-A316 VanDerWaalsContact O-N 3.16Å; M313-D317 PolarHBondContact O-N 2.91Å |
| 314 | E | 91.5 | Very high | 89.5 | Confident | 117 Ų | 117 | 89.5 Ų | 89.5 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 177.9 | -70.6 | 172 | -170.6 | 0 | 0 | 112.4 | R310 A311 T318 | R310-E314 WeakPolarHBondContact O-CG 3.46Å; R310-E314 PolarHBondContact O-N 3.29Å; A311-E314 PolarHBondContact O-N 2.92Å; E314-T318 WeakPolarHBondContact O-CB 3.4Å; E314-T318 VanDerWaalsContact O-CG2 3.29Å; E314-T318 WeakPolarHBondContact O-CG2 3.45Å; E314-T318 PolarHBondContact O-N 3.44Å; E314-T318 PolarHBondContact O-OG1 3.28Å |
| 315 | I | 91.1 | Very high | 89 | Confident | 114 Ų | 114 | 89.1 Ų | 89.1 | 59% | 0.585 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.5 | -40.1 | 174.9 | -68.6 | 166 | 0 | 0 | 0 | 111.2 | A311 V312 M313 T318 S319 | A311-I315 VanDerWaalsContact O-CG1 3.29Å; A311-I315 WeakPolarHBondContact O-CG1 3.47Å; A311-I315 PolarHBondContact O-N 3.46Å; V312-I315 PolarHBondContact O-N 3.36Å; M313-I315 VanDerWaalsContact C-N 3.33Å; M313-I315 PolarHBondContact O-N 3.48Å; I315-T318 WeakPolarHBondContact CA-OG1 3.41Å; I315-T318 PolarHBondContact O-OG1 3.23Å; I315-S319 VanDerWaalsContact O-CB 3.23Å; I315-S319 WeakPolarHBondContact O-CB 3.26Å; I315-S319 PolarHBondContact O-N 3.37Å |
| 316 | A | 89.3 | Confident | 88.3 | Confident | 57 Ų | 57 | 88.7 Ų | 88.7 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V312 M313 S319 A320 | V312-A316 WeakPolarHBondContact O-CB 3.38Å; V312-A316 PolarHBondContact O-N 2.94Å; M313-A316 WeakPolarHBondContact O-CB 3.49Å; M313-A316 PolarHBondContact O-N 3.27Å; M313-A316 VanDerWaalsContact O-N 3.16Å; A316-S319 PolarHBondContact O-N 3.45Å; A316-A320 PolarHBondContact O-N 3.37Å |
| 317 | D | 89.1 | Confident | 87.6 | Confident | 101 Ų | 101 | 94.1 Ų | 94.1 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -48 | 177.9 | -70.4 | -21.2 | 0 | 0 | 0 | 111.3 | M313 S319 A320 E321 | M313-D317 PolarHBondContact O-N 2.91Å; D317-S319 VanDerWaalsContact C-N 3.32Å; D317-S319 PolarHBondContact O-N 2.99Å; D317-A320 WeakPolarHBondContact O-CB 3.47Å; D317-A320 PolarHBondContact O-N 3.1Å; D317-E321 WeakPolarHBondContact O-CG 3.41Å; D317-E321 PolarHBondContact O-N 3.48Å |
| 318 | T | 90.9 | Very high | 87 | Confident | 80 Ų | 80 | 97.6 Ų | 97.6 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -35.3 | 177.4 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | E314 I315 E321 A322 | E314-T318 WeakPolarHBondContact O-CB 3.4Å; E314-T318 VanDerWaalsContact O-CG2 3.29Å; E314-T318 WeakPolarHBondContact O-CG2 3.45Å; E314-T318 PolarHBondContact O-N 3.44Å; E314-T318 PolarHBondContact O-OG1 3.28Å; I315-T318 WeakPolarHBondContact CA-OG1 3.41Å; I315-T318 PolarHBondContact O-OG1 3.23Å; T318-E321 PolarHBondContact O-N 3.46Å; T318-A322 WeakPolarHBondContact O-CB 3.09Å; T318-A322 PolarHBondContact O-N 3.36Å |
| 319 | S | 84.9 | Confident | 85.6 | Confident | 66 Ų | 66 | 98.4 Ų | 98.4 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 174.3 | -179.3 | 0 | 0 | 0 | 0 | 112 | I315 A316 D317 A322 M323 | I315-S319 VanDerWaalsContact O-CB 3.23Å; I315-S319 WeakPolarHBondContact O-CB 3.26Å; I315-S319 PolarHBondContact O-N 3.37Å; A316-S319 PolarHBondContact O-N 3.45Å; D317-S319 VanDerWaalsContact C-N 3.32Å; D317-S319 PolarHBondContact O-N 2.99Å; S319-A322 PolarHBondContact O-N 3.04Å; S319-M323 WeakPolarHBondContact O-CB 3.2Å; S319-M323 PolarHBondContact O-N 3.16Å |
| 320 | A | 87.3 | Confident | 83.9 | Confident | 54 Ų | 54 | 101.8 Ų | 101.8 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A316 D317 M323 E324 | A316-A320 PolarHBondContact O-N 3.37Å; D317-A320 WeakPolarHBondContact O-CB 3.47Å; D317-A320 PolarHBondContact O-N 3.1Å; A320-M323 PolarHBondContact O-N 2.49Å; A320-E324 WeakPolarHBondContact O-CG 3.26Å; A320-E324 PolarHBondContact O-N 2.73Å |
| 321 | E | 89.6 | Confident | 82.2 | Confident | 140 Ų | 140 | 97.7 Ų | 97.7 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 174.9 | -71.7 | -177.2 | 175.4 | 0 | 0 | 112.4 | D317 T318 M323 E324 A325 | D317-E321 WeakPolarHBondContact O-CG 3.41Å; D317-E321 PolarHBondContact O-N 3.48Å; T318-E321 PolarHBondContact O-N 3.46Å; E321-M323 PolarHBondContact O-N 3.49Å; E321-E324 PolarHBondContact O-N 3.49Å; E321-A325 WeakPolarHBondContact O-CB 3.15Å; E321-A325 PolarHBondContact O-N 3.47Å |
| 322 | A | 85 | Confident | 80.3 | Confident | 61 Ų | 61 | 101.8 Ų | 101.8 | 50% | 0.504 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.8 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T318 S319 A325 A326 | T318-A322 WeakPolarHBondContact O-CB 3.09Å; T318-A322 PolarHBondContact O-N 3.36Å; S319-A322 PolarHBondContact O-N 3.04Å; A322-A325 PolarHBondContact O-N 2.91Å; A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 3.36Å |
| 323 | M | 82.5 | Confident | 78.4 | Confident | 101 Ų | 101 | 103.5 Ų | 103.5 | 50% | 0.498 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -40.6 | 176.7 | -167.3 | -177.1 | -61.3 | 0 | 0 | 111.4 | S319 A320 E321 A326 R327 | S319-M323 WeakPolarHBondContact O-CB 3.2Å; S319-M323 PolarHBondContact O-N 3.16Å; A320-M323 PolarHBondContact O-N 2.49Å; E321-M323 PolarHBondContact O-N 3.49Å; M323-A326 PolarHBondContact O-N 2.67Å; M323-R327 WeakPolarHBondContact O-CG 3.36Å; M323-R327 PolarHBondContact O-N 3.08Å |
| 324 | E | 86.1 | Confident | 76.3 | Confident | 85 Ų | 85 | 102.2 Ų | 102.2 | 40% | 0.397 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.6 | -39 | 173.8 | -75.4 | -58.7 | 128.5 | 0 | 0 | 112.1 | A320 E321 A326 R327 R328 | A320-E324 WeakPolarHBondContact O-CG 3.26Å; A320-E324 PolarHBondContact O-N 2.73Å; E321-E324 PolarHBondContact O-N 3.49Å; E324-A326 PolarHBondContact O-N 3.25Å; E324-R327 PolarHBondContact O-N 3.19Å; E324-R327 IonicContact OE1-CZ 2.63Å; E324-R327 IonicContact OE1-NH1 3.12Å; E324-R327 PolarHBondContact OE1-NH1 3.11Å; E324-R328 WeakPolarHBondContact O-CG 3.41Å; E324-R328 PolarHBondContact O-N 3.21Å |
| 325 | A | 80.6 | Confident | 74.2 | Confident | 49 Ų | 49 | 102.5 Ų | 102.5 | 41% | 0.405 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.8 | -41.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E321 A322 R328 Q329 | E321-A325 WeakPolarHBondContact O-CB 3.15Å; E321-A325 PolarHBondContact O-N 3.47Å; A322-A325 PolarHBondContact O-N 2.91Å; A325-R328 PolarHBondContact O-N 3.46Å; A325-Q329 PolarHBondContact O-N 2.74Å |
| 326 | A | 75.4 | Confident | 71.9 | Confident | 54 Ų | 54 | 108.7 Ų | 108.7 | 45% | 0.446 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.4 | -40.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A322 M323 E324 R328 Q329 Q330 | A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 3.36Å; M323-A326 PolarHBondContact O-N 2.67Å; E324-A326 PolarHBondContact O-N 3.25Å; A326-R328 VanDerWaalsContact C-N 3.34Å; A326-Q329 PolarHBondContact O-N 3.02Å; A326-Q330 PolarHBondContact O-N 3.31Å; A326-Q330 VanDerWaalsContact O-N 3.08Å |
| 327 | R | 79.3 | Confident | 69.5 | Low | 145 Ų | 145 | 108.9 Ų | 108.9 | 55% | 0.547 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.9 | -40.7 | 173.4 | -77.3 | 176.6 | 177.1 | 170.3 | -1.4 | 112 | M323 E324 Q330 G331 | M323-R327 WeakPolarHBondContact O-CG 3.36Å; M323-R327 PolarHBondContact O-N 3.08Å; E324-R327 PolarHBondContact O-N 3.19Å; E324-R327 IonicContact OE1-CZ 2.63Å; E324-R327 IonicContact OE1-NH1 3.12Å; E324-R327 PolarHBondContact OE1-NH1 3.11Å; R327-Q330 PolarHBondContact O-N 2.94Å; R327-G331 PolarHBondContact O-N 3.46Å |
| 328 | R | 77.8 | Confident | 67.3 | Low | 189 Ų | 189 | 109.3 Ų | 109.3 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.6 | -40.6 | 174.6 | -70.2 | 177.6 | -169.8 | -160.7 | 4.8 | 112.1 | E324 A325 A326 Q330 G331 | E324-R328 WeakPolarHBondContact O-CG 3.41Å; E324-R328 PolarHBondContact O-N 3.21Å; A325-R328 PolarHBondContact O-N 3.46Å; A326-R328 VanDerWaalsContact C-N 3.34Å; R328-Q330 PolarHBondContact O-N 3.42Å; R328-G331 PolarHBondContact O-N 3.05Å; R328-G331 VanDerWaalsContact O-N 3.16Å |
| 329 | Q | 62.9 | Low | 65.3 | Low | 138 Ų | 138 | 112.2 Ų | 112.2 | 65% | 0.645 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.9 | -28.9 | 176.4 | -73.5 | -170.9 | 0.8 | 0 | 0 | 114.1 | A325 A326 G331 | A325-Q329 PolarHBondContact O-N 2.74Å; A326-Q329 PolarHBondContact O-N 3.02Å; Q329-G331 VanDerWaalsContact C-N 3.29Å |
| 330 | Q | 57.4 | Low | 63.5 | Low | 177 Ų | 177 | 116 Ų | 116 | 83% | 0.827 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.8 | -21.9 | 172 | -83.6 | -174.1 | -10.2 | 0 | 0 | 113.3 | A326 R327 R328 | A326-Q330 PolarHBondContact O-N 3.31Å; A326-Q330 VanDerWaalsContact O-N 3.08Å; R327-Q330 PolarHBondContact O-N 2.94Å; R328-Q330 PolarHBondContact O-N 3.42Å |
| 331 | G | 55.2 | Low | 61.7 | Low | 66 Ų | 66 | 118.2 Ų | 118.2 | 68% | 0.68 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83.9 | -15.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | R327 R328 Q329 | R327-G331 PolarHBondContact O-N 3.46Å; R328-G331 PolarHBondContact O-N 3.05Å; R328-G331 VanDerWaalsContact O-N 3.16Å; Q329-G331 VanDerWaalsContact C-N 3.29Å |
| 332 | E | 51.6 | Low | 60 | Low | 127 Ų | 127 | 115.5 Ų | 115.5 | 59% | 0.593 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -105.6 | 128.2 | 178.9 | -76.6 | -175.6 | 156 | 0 | 0 | 111.4 | N334 | E332-N334 VanDerWaalsContact C-N 3.31Å; E332-N334 PolarHBondContact O-N 2.89Å |
| 333 | P | 49.8 | Very low | 58.8 | Low | 127 Ų | 127 | 116.7 Ų | 116.7 | 83% | 0.825 | 66% | 0.656 | S | S | * | * | trans | -75.2 | 84.4 | 179.2 | 31.2 | -31.8 | 0 | 0 | 0 | 109.7 | C335 | P333-C335 PolarHBondContact O-N 3.37Š| ||
| 334 | N | 45.5 | Very low | 58.1 | Low | 98 Ų | 98 | 115 Ų | 115 | 52% | 0.524 | 66% | 0.655 | S | S | . | * | trans | -80.1 | 101.3 | 177.1 | -82.1 | -26.9 | 0 | 0 | 0 | 111.3 | E332 W336 | E332-N334 VanDerWaalsContact C-N 3.31Å; E332-N334 PolarHBondContact O-N 2.89Å; N334-W336 PolarHBondContact O-N 3.38Å | ||
| 335 | C | 47.1 | Very low | 56.8 | Low | 123 Ų | 123 | 117.6 Ų | 117.6 | 83% | 0.831 | 67% | 0.67 | S | S | * | * | trans | -63.4 | 94.8 | 166.4 | -82.2 | 0 | 0 | 0 | 0 | 110.9 | P333 G337 | P333-C335 PolarHBondContact O-N 3.37Å; C335-G337 PolarHBondContact O-N 2.88Å | ||
| 336 | W | 43.6 | Very low | 56.1 | Low | 245 Ų | 245 | 118.1 Ų | 118.1 | 93% | 0.928 | 68% | 0.675 | S | S | * | * | trans | -88.5 | 88.8 | 158.6 | -70.5 | 87.4 | 0 | 0 | 0 | 108.5 | N334 | N334-W336 PolarHBondContact O-N 3.38Š| ||
| 337 | G | 37.7 | Very low | 56 | Low | 61 Ų | 61 | 118.8 Ų | 118.8 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | trans | -121.8 | 117.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C335 | C335-G337 PolarHBondContact O-N 2.88Š| ||
| 338 | S | 43.1 | Very low | 55.6 | Low | 109 Ų | 109 | 118.4 Ų | 118.4 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | S | Bend | -120.9 | 106.4 | 126 | -167.8 | 0 | 0 | 0 | 0 | 107.2 | |||
| 339 | N | 48.7 | Very low | 55.5 | Low | 142 Ų | 142 | 113.9 Ų | 113.9 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 80.2 | 60.6 | 163.8 | -50.5 | -14.8 | 0 | 0 | 0 | 117.8 | ||
| 340 | N | 46.5 | Very low | 56.1 | Low | 144 Ų | 144 | 112.4 Ų | 112.4 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | S | Bend | -167.2 | 138.4 | 125.4 | -99.1 | -17.3 | 0 | 0 | 0 | 109.6 | G342 | N340-G342 PolarHBondContact O-N 2.75Š| |
| 341 | S | 49.7 | Very low | 57.2 | Low | 102 Ų | 102 | 107.6 Ų | 107.6 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | trans | -51.4 | 131.3 | -177.8 | 59.4 | 0 | 0 | 0 | 0 | 111 | I343 | S341-I343 WeakPolarHBondContact O-CG1 3.25Å; S341-I343 PolarHBondContact O-N 3.32Å; S341-I343 VanDerWaalsContact O-N 3.08Å | ||
| 342 | G | 55.5 | Low | 58.3 | Low | 82 Ų | 82 | 109.2 Ų | 109.2 | 85% | 0.845 | 63% | 0.631 | S | S | * | * | trans | -49.5 | 111.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.9 | N340 | N340-G342 PolarHBondContact O-N 2.75Š| ||
| 343 | I | 59.8 | Low | 59.8 | Low | 87 Ų | 87 | 107 Ų | 107 | 45% | 0.446 | 63% | 0.626 | S | S | . | * | trans | -113.9 | 125.2 | 166.7 | -26.9 | -179.1 | 0 | 0 | 0 | 105.4 | S341 T347 | S341-I343 WeakPolarHBondContact O-CG1 3.25Å; S341-I343 PolarHBondContact O-N 3.32Å; S341-I343 VanDerWaalsContact O-N 3.08Å; I343-T347 VanDerWaalsContact CG2-CB 3.46Å; I343-T347 HydrophobicContact CG2-CG2 3.4Å | ||
| 344 | S | 66.9 | Low | 61.3 | Low | 66 Ų | 66 | 107.2 Ų | 107.2 | 46% | 0.462 | 62% | 0.616 | S | S | . | * | trans | -61.1 | 152.9 | -176.9 | 84.3 | 0 | 0 | 0 | 0 | 110.6 | A346 T347 R348 | S344-A346 PolarHBondContact O-N 3.35Å; S344-A346 VanDerWaalsContact O-N 3.15Å; S344-A346 PolarHBondContact OG-N 3.18Å; S344-T347 WeakPolarHBondContact O-CB 3.48Å; S344-T347 PolarHBondContact O-N 3.3Å; S344-T347 PolarHBondContact OG-N 2.96Å; S344-T347 PolarHBondContact OG-OG1 2.89Å; S344-R348 PolarHBondContact O-N 3.48Å; S344-R348 VanDerWaalsContact O-N 3.1Å | ||
| 345 | L | 57.9 | Low | 63.1 | Low | 138 Ų | 138 | 108.8 Ų | 108.8 | 72% | 0.723 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -52.7 | -36.2 | 175.1 | -177.3 | 67 | 0 | 0 | 0 | 111.6 | T347 R348 I349 | L345-T347 PolarHBondContact O-N 3.18Å; L345-R348 PolarHBondContact O-N 2.98Å; L345-I349 HydrophobicContact CG-CD1 4.11Å; L345-I349 WeakPolarHBondContact O-CG1 3.33Å; L345-I349 PolarHBondContact O-N 3.29Å |
| 346 | A | 67.8 | Low | 64.5 | Low | 60 Ų | 60 | 110.7 Ų | 110.7 | 50% | 0.496 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.4 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S344 R348 I349 D350 | S344-A346 PolarHBondContact O-N 3.35Å; S344-A346 VanDerWaalsContact O-N 3.15Å; S344-A346 PolarHBondContact OG-N 3.18Å; A346-R348 VanDerWaalsContact C-N 3.34Å; A346-R348 PolarHBondContact O-N 3.08Å; A346-I349 PolarHBondContact O-N 3.1Å; A346-D350 PolarHBondContact O-N 3.46Å |
| 347 | T | 72 | Confident | 66.2 | Low | 68 Ų | 68 | 105.5 Ų | 105.5 | 42% | 0.417 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.7 | -34 | 178.8 | -40 | 0 | 0 | 0 | 0 | 112.1 | I343 S344 L345 D350 E351 | I343-T347 VanDerWaalsContact CG2-CB 3.46Å; I343-T347 HydrophobicContact CG2-CG2 3.4Å; S344-T347 WeakPolarHBondContact O-CB 3.48Å; S344-T347 PolarHBondContact O-N 3.3Å; S344-T347 PolarHBondContact OG-N 2.96Å; S344-T347 PolarHBondContact OG-OG1 2.89Å; L345-T347 PolarHBondContact O-N 3.18Å; T347-D350 PolarHBondContact O-N 3.28Å; T347-E351 PolarHBondContact O-N 3.49Å |
| 348 | R | 71.4 | Confident | 68.4 | Low | 138 Ų | 138 | 107.4 Ų | 107.4 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.3 | -41.1 | 172.1 | -83.1 | -76 | -153.8 | -174.2 | 5.5 | 112 | S344 L345 A346 E351 V352 | S344-R348 PolarHBondContact O-N 3.48Å; S344-R348 VanDerWaalsContact O-N 3.1Å; L345-R348 PolarHBondContact O-N 2.98Å; A346-R348 VanDerWaalsContact C-N 3.34Å; A346-R348 PolarHBondContact O-N 3.08Å; R348-E351 PolarHBondContact O-N 3.09Å; R348-V352 WeakPolarHBondContact O-CG2 3.43Å; R348-V352 PolarHBondContact O-N 2.76Å |
| 349 | I | 74.6 | Confident | 69.8 | Low | 93 Ų | 93 | 107.5 Ų | 107.5 | 48% | 0.477 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.3 | -41.6 | 177.6 | -70.9 | 168.8 | 0 | 0 | 0 | 110.4 | L345 A346 E351 V352 T353 | L345-I349 HydrophobicContact CG-CD1 4.11Å; L345-I349 WeakPolarHBondContact O-CG1 3.33Å; L345-I349 PolarHBondContact O-N 3.29Å; A346-I349 PolarHBondContact O-N 3.1Å; I349-E351 PolarHBondContact O-N 3.38Å; I349-V352 PolarHBondContact O-N 3.44Å; I349-T353 WeakPolarHBondContact O-CB 3.25Å; I349-T353 PolarHBondContact O-N 3.47Å; I349-T353 PolarHBondContact O-OG1 3.09Å |
| 350 | D | 77.3 | Confident | 71 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 57% | 0.572 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.5 | -40.6 | 174.8 | -79.3 | -23.6 | 0 | 0 | 0 | 112 | A346 T347 V352 T353 Q354 | A346-D350 PolarHBondContact O-N 3.46Å; T347-D350 PolarHBondContact O-N 3.28Å; D350-V352 PolarHBondContact O-N 3.12Å; D350-T353 PolarHBondContact O-N 2.93Å; D350-Q354 WeakPolarHBondContact O-CB 3.42Å; D350-Q354 PolarHBondContact O-N 2.86Å |
| 351 | E | 80.3 | Confident | 72.4 | Confident | 77 Ų | 77 | 100 Ų | 100 | 36% | 0.36 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 176.4 | -129.1 | -166.4 | 161 | 0 | 0 | 112.2 | T347 R348 I349 K355 | T347-E351 PolarHBondContact O-N 3.49Å; R348-E351 PolarHBondContact O-N 3.09Å; I349-E351 PolarHBondContact O-N 3.38Å; E351-K355 WeakPolarHBondContact O-CG 3.42Å; E351-K355 PolarHBondContact O-N 3.41Å; E351-K355 IonicContact OE1-NZ 3.24Å |
| 352 | V | 77.7 | Confident | 73.4 | Confident | 99 Ų | 99 | 98.3 Ų | 98.3 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.5 | -42 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | R348 I349 D350 Q354 K355 Y356 | R348-V352 WeakPolarHBondContact O-CG2 3.43Å; R348-V352 PolarHBondContact O-N 2.76Å; I349-V352 PolarHBondContact O-N 3.44Å; D350-V352 PolarHBondContact O-N 3.12Å; V352-Q354 VanDerWaalsContact C-N 3.33Å; V352-Q354 PolarHBondContact O-N 3.08Å; V352-K355 PolarHBondContact O-N 3Å; V352-Y356 WeakPolarHBondContact O-CB 3.23Å; V352-Y356 PolarHBondContact O-N 3.09Å |
| 353 | T | 82.4 | Confident | 73.6 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 178 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | I349 D350 Y356 K357 | I349-T353 WeakPolarHBondContact O-CB 3.25Å; I349-T353 PolarHBondContact O-N 3.47Å; I349-T353 PolarHBondContact O-OG1 3.09Å; D350-T353 PolarHBondContact O-N 2.93Å; T353-Y356 PolarHBondContact O-N 2.76Å; T353-K357 WeakPolarHBondContact O-CB 3.48Å; T353-K357 PolarHBondContact O-N 3.24Å |
| 354 | Q | 81.4 | Confident | 73.5 | Confident | 132 Ų | 132 | 101.8 Ų | 101.8 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.5 | -40.8 | 177.6 | -164.9 | 174.8 | 6.4 | 0 | 0 | 111.9 | D350 V352 K357 I358 | D350-Q354 WeakPolarHBondContact O-CB 3.42Å; D350-Q354 PolarHBondContact O-N 2.86Å; V352-Q354 VanDerWaalsContact C-N 3.33Å; V352-Q354 PolarHBondContact O-N 3.08Å; Q354-K357 PolarHBondContact O-N 3.47Å; Q354-I358 WeakPolarHBondContact O-CG1 3.27Å; Q354-I358 PolarHBondContact O-N 2.91Å |
| 355 | K | 83.6 | Confident | 72.9 | Confident | 132 Ų | 132 | 107.5 Ų | 107.5 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 174.7 | -75.7 | 176.2 | -178.8 | 168 | 0 | 112.3 | E351 V352 K357 I358 L359 | E351-K355 WeakPolarHBondContact O-CG 3.42Å; E351-K355 PolarHBondContact O-N 3.41Å; E351-K355 IonicContact OE1-NZ 3.24Å; V352-K355 PolarHBondContact O-N 3Å; K355-K357 VanDerWaalsContact C-N 3.32Å; K355-K357 PolarHBondContact O-N 3.46Å; K355-I358 PolarHBondContact O-N 3.11Å; K355-L359 PolarHBondContact O-N 2.98Å |
| 356 | Y | 75.8 | Confident | 72.7 | Confident | 162 Ų | 162 | 108.6 Ų | 108.6 | 64% | 0.635 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.3 | -41.1 | 175.4 | -173.8 | -96.7 | 0 | 0 | 0 | 111.6 | V352 T353 L359 T360 | V352-Y356 WeakPolarHBondContact O-CB 3.23Å; V352-Y356 PolarHBondContact O-N 3.09Å; T353-Y356 PolarHBondContact O-N 2.76Å; Y356-L359 WeakPolarHBondContact O-CB 3.37Å; Y356-L359 PolarHBondContact O-N 3.5Å; Y356-T360 HydrophobicContact CE1-CG2 4.1Å; Y356-T360 PolarHBondContact O-N 2.89Å; Y356-T360 PolarHBondContact O-OG1 3.32Å |
| 357 | K | 80.3 | Confident | 72 | Confident | 136 Ų | 136 | 111.5 Ų | 111.5 | 59% | 0.591 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 178.1 | -153.1 | 174.4 | -173.2 | 178.8 | 0 | 112.4 | T353 Q354 K355 L359 T360 D361 | T353-K357 WeakPolarHBondContact O-CB 3.48Å; T353-K357 PolarHBondContact O-N 3.24Å; Q354-K357 PolarHBondContact O-N 3.47Å; K355-K357 VanDerWaalsContact C-N 3.32Å; K355-K357 PolarHBondContact O-N 3.46Å; K357-L359 VanDerWaalsContact C-N 3.33Å; K357-L359 PolarHBondContact O-N 3.32Å; K357-T360 WeakPolarHBondContact CA-OG1 3.42Å; K357-T360 PolarHBondContact O-N 3.46Å; K357-T360 PolarHBondContact O-OG1 3.12Å; K357-D361 WeakPolarHBondContact O-CB 3.41Å; K357-D361 VanDerWaalsContact O-CG 3.26Å; K357-D361 PolarHBondContact O-N 2.92Å |
| 358 | I | 84.1 | Confident | 70.7 | Confident | 101 Ų | 101 | 122 Ų | 122 | 52% | 0.518 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.2 | -44.8 | 173.3 | -66.8 | 164.6 | 0 | 0 | 0 | 110.2 | Q354 K355 T360 D361 T362 | Q354-I358 WeakPolarHBondContact O-CG1 3.27Å; Q354-I358 PolarHBondContact O-N 2.91Å; K355-I358 PolarHBondContact O-N 3.11Å; I358-T360 VanDerWaalsContact C-N 3.35Å; I358-T360 PolarHBondContact O-N 3.16Å; I358-D361 PolarHBondContact O-N 2.89Å; I358-T362 PolarHBondContact O-N 3.46Å; I358-T362 PolarHBondContact O-OG1 3.24Å |
| 359 | L | 72.9 | Confident | 70.7 | Confident | 111 Ų | 111 | 121.3 Ų | 121.3 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.7 | -44 | 180 | -152.2 | 96.4 | 0 | 0 | 0 | 111.6 | K355 Y356 K357 T362 L363 | K355-L359 PolarHBondContact O-N 2.98Å; Y356-L359 WeakPolarHBondContact O-CB 3.37Å; Y356-L359 PolarHBondContact O-N 3.5Å; K357-L359 VanDerWaalsContact C-N 3.33Å; K357-L359 PolarHBondContact O-N 3.32Å; L359-T362 PolarHBondContact O-N 3.36Å; L359-L363 PolarHBondContact O-N 3.1Å; L359-L363 VanDerWaalsContact O-N 3.09Å |
| 360 | T | 72.4 | Confident | 70.5 | Confident | 41 Ų | 41 | 122.7 Ų | 122.7 | 25% | 0.252 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.1 | -40.8 | 177 | 23.4 | 0 | 0 | 0 | 0 | 111.9 | Y356 K357 I358 T362 L363 H364 | Y356-T360 HydrophobicContact CE1-CG2 4.1Å; Y356-T360 PolarHBondContact O-N 2.89Å; Y356-T360 PolarHBondContact O-OG1 3.32Å; K357-T360 WeakPolarHBondContact CA-OG1 3.42Å; K357-T360 PolarHBondContact O-N 3.46Å; K357-T360 PolarHBondContact O-OG1 3.12Å; I358-T360 VanDerWaalsContact C-N 3.35Å; I358-T360 PolarHBondContact O-N 3.16Å; T360-T362 VanDerWaalsContact C-N 3.27Å; T360-T362 PolarHBondContact O-N 3.3Å; T360-L363 PolarHBondContact O-N 3.38Å; T360-H364 PolarHBondContact O-N 2.95Å; T360-H364 PolarHBondContact O-ND1 3.39Å |
| 361 | D | 76.1 | Confident | 70.1 | Confident | 88 Ų | 88 | 123.6 Ų | 123.6 | 47% | 0.471 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.2 | -25.4 | 176.5 | -73.2 | -18.6 | 0 | 0 | 0 | 113.1 | K357 I358 | K357-D361 WeakPolarHBondContact O-CB 3.41Å; K357-D361 VanDerWaalsContact O-CG 3.26Å; K357-D361 PolarHBondContact O-N 2.92Å; I358-D361 PolarHBondContact O-N 2.89Å |
| 362 | T | 71 | Confident | 69.5 | Low | 67 Ų | 67 | 126.4 Ų | 126.4 | 41% | 0.411 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -75.1 | -43.8 | 173.9 | -36.3 | 0 | 0 | 0 | 0 | 110.5 | I358 L359 T360 H364 R365 E366 | I358-T362 PolarHBondContact O-N 3.46Å; I358-T362 PolarHBondContact O-OG1 3.24Å; L359-T362 PolarHBondContact O-N 3.36Å; T360-T362 VanDerWaalsContact C-N 3.27Å; T360-T362 PolarHBondContact O-N 3.3Å; T362-H364 PolarHBondContact O-N 3.42Å; T362-R365 PolarHBondContact O-N 3.23Å; T362-R365 VanDerWaalsContact O-N 3.13Å; T362-E366 PolarHBondContact O-N 2.69Å |
| 363 | L | 59.6 | Low | 69 | Low | 101 Ų | 101 | 128.1 Ų | 128.1 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.3 | -39.3 | 175.5 | -99.8 | 144.8 | 0 | 0 | 0 | 113 | L359 T360 R365 T367 | L359-L363 PolarHBondContact O-N 3.1Å; L359-L363 VanDerWaalsContact O-N 3.09Å; T360-L363 PolarHBondContact O-N 3.38Å; L363-R365 VanDerWaalsContact C-N 3.27Å; L363-R365 PolarHBondContact O-N 3.34Å; L363-T367 PolarHBondContact O-OG1 3.48Å |
| 364 | H | 57.3 | Low | 68.1 | Low | 141 Ų | 141 | 131.3 Ų | 131.3 | 65% | 0.653 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -17.5 | 178 | -73.4 | 79.8 | 0 | 0 | 0 | 113.6 | T360 T362 | T360-H364 PolarHBondContact O-N 2.95Å; T360-H364 PolarHBondContact O-ND1 3.39Å; T362-H364 PolarHBondContact O-N 3.42Å |
| 365 | R | 55.6 | Low | 67.1 | Low | 185 Ų | 185 | 131.2 Ų | 131.2 | 70% | 0.698 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -23.8 | 179.1 | -156.4 | -175.6 | -42.8 | -137.1 | -1.6 | 113 | T362 L363 T367 | T362-R365 PolarHBondContact O-N 3.23Å; T362-R365 VanDerWaalsContact O-N 3.13Å; L363-R365 VanDerWaalsContact C-N 3.27Å; L363-R365 PolarHBondContact O-N 3.34Å; R365-T367 VanDerWaalsContact C-N 3.29Å |
| 366 | E | 52.8 | Low | 65.8 | Low | 161 Ų | 161 | 131.2 Ų | 131.2 | 75% | 0.752 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -5.2 | 173.7 | -71.2 | -175.1 | 160 | 0 | 0 | 113.3 | T362 | T362-E366 PolarHBondContact O-N 2.69Š|
| 367 | T | 53.6 | Low | 65 | Low | 121 Ų | 121 | 128.6 Ų | 128.6 | 74% | 0.742 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 18.2 | -178.1 | -32.5 | 0 | 0 | 0 | 0 | 113.3 | L363 R365 | L363-T367 PolarHBondContact O-OG1 3.48Å; R365-T367 VanDerWaalsContact C-N 3.29Å |
| 368 | R | 44.5 | Very low | 63.6 | Low | 290 Ų | 290 | 127.9 Ų | 127.9 | 100% | 1.094 | 61% | 0.609 | S | S | * | * | trans | -134.6 | 0 | 172.4 | -170.5 | -169.2 | -87.9 | 180 | -6.4 | 108.8 |
Retrieved 368 of 368 residues in 103.3 ms
(Link to these results)