| 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 | 43.2 | Very low | 67.3 | Low | 242 Ų | 242 | 136.4 Ų | 136.4 | 100% | 1.192 | 69% | 0.69 | S | S | * | * | 0 | 90.8 | 0 | -66.4 | 170.4 | 95.4 | 0 | 0 | 108.2 | |||||
| 2 | Q | 43.3 | Very low | 69.2 | Low | 199 Ų | 199 | 135.3 Ų | 135.3 | 93% | 0.93 | 68% | 0.68 | S | S | * | * | trans | -99 | 96.4 | 171.8 | -76.5 | 174.7 | -5.2 | 0 | 0 | 106.7 | S4 | Q2-S4 PolarHBondContact O-N 3.38Š| ||
| 3 | S | 49.7 | Very low | 70.9 | Confident | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | trans | -64.3 | 105.5 | 166.7 | 59.3 | 0 | 0 | 0 | 0 | 106.5 | K5 | S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.38Å | ||
| 4 | S | 56.8 | Low | 72.6 | Confident | 115 Ų | 115 | 124.3 Ų | 124.3 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | trans | -58 | 100.6 | 172.8 | -169.9 | 0 | 0 | 0 | 0 | 107.7 | Q2 R6 | Q2-S4 PolarHBondContact O-N 3.38Å; S4-R6 PolarHBondContact O-N 3.46Å | ||
| 5 | K | 62.5 | Low | 74 | Confident | 189 Ų | 189 | 121.6 Ų | 121.6 | 82% | 0.822 | 63% | 0.628 | S | S | * | * | trans | -70.2 | 97.7 | 178 | -68.9 | 180 | -179.9 | -179.8 | 0 | 105.6 | S3 S7 | S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.38Å; K5-S7 PolarHBondContact O-N 3.43Å | ||
| 6 | R | 65.2 | Low | 75.2 | Confident | 162 Ų | 162 | 117.9 Ų | 117.9 | 61% | 0.611 | 62% | 0.617 | S | S | * | * | trans | -48 | 127.7 | 170.7 | -77.9 | -176.2 | 176.7 | 175.4 | -1.9 | 108.3 | S4 | S4-R6 PolarHBondContact O-N 3.46Š| ||
| 7 | S | 77.6 | Confident | 76.4 | Confident | 45 Ų | 45 | 118.2 Ų | 118.2 | 32% | 0.315 | 61% | 0.614 | S | S | . | * | trans | -69.4 | 151.6 | -177.5 | 68.2 | 0 | 0 | 0 | 0 | 109.6 | K5 S9 D10 W11 | K5-S7 PolarHBondContact O-N 3.43Å; S7-S9 WeakPolarHBondContact CB-OG 3.25Å; S7-S9 PolarHBondContact O-N 3.09Å; S7-S9 PolarHBondContact OG-OG 3.06Å; S7-D10 WeakPolarHBondContact CB-OD2 3.39Å; S7-D10 PolarHBondContact N-OD2 3.15Å; S7-D10 WeakPolarHBondContact O-CB 3.27Å; S7-D10 PolarHBondContact O-N 3.05Å; S7-D10 PolarHBondContact OG-N 2.83Å; S7-D10 PolarHBondContact OG-OD1 3.3Å; S7-D10 PolarHBondContact OG-OD2 3.04Å; S7-W11 PolarHBondContact O-N 2.77Å | ||
| 8 | E | 82.1 | Confident | 77.5 | Confident | 148 Ų | 148 | 119.1 Ų | 119.1 | 69% | 0.692 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.9 | -32.3 | 176.3 | -171.9 | 177.4 | 170.6 | 0 | 0 | 111.7 | W11 Q12 | E8-W11 PolarHBondContact O-N 3.47Å; E8-Q12 WeakPolarHBondContact O-CG 3.33Å; E8-Q12 PolarHBondContact O-N 2.97Å |
| 9 | S | 82.9 | Confident | 78.5 | Confident | 76 Ų | 76 | 117.3 Ų | 117.3 | 53% | 0.531 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.6 | -37.5 | 172.3 | 39 | 0 | 0 | 0 | 0 | 113.6 | S7 W11 Q12 G13 | S7-S9 WeakPolarHBondContact CB-OG 3.25Å; S7-S9 PolarHBondContact O-N 3.09Å; S7-S9 PolarHBondContact OG-OG 3.06Å; S9-W11 VanDerWaalsContact C-N 3.33Å; S9-Q12 PolarHBondContact O-N 3.15Å; S9-G13 PolarHBondContact O-N 2.88Å |
| 10 | D | 87.7 | Confident | 79.4 | Confident | 94 Ų | 94 | 114.2 Ų | 114.2 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.9 | -37.1 | 177.2 | -57.9 | -38 | 0 | 0 | 0 | 110.9 | S7 G13 L14 | S7-D10 WeakPolarHBondContact CB-OD2 3.39Å; S7-D10 PolarHBondContact N-OD2 3.15Å; S7-D10 WeakPolarHBondContact O-CB 3.27Å; S7-D10 PolarHBondContact O-N 3.05Å; S7-D10 PolarHBondContact OG-N 2.83Å; S7-D10 PolarHBondContact OG-OD1 3.3Å; S7-D10 PolarHBondContact OG-OD2 3.04Å; D10-G13 PolarHBondContact O-N 3.35Å; D10-L14 WeakPolarHBondContact O-CB 3.33Å; D10-L14 PolarHBondContact O-N 3.48Å |
| 11 | W | 88.9 | Confident | 80.2 | Confident | 132 Ų | 132 | 112.5 Ų | 112.5 | 50% | 0.5 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.1 | -44.3 | 174.8 | -74.5 | 111.7 | 0 | 0 | 0 | 112 | S7 E8 S9 G13 L14 V15 | S7-W11 PolarHBondContact O-N 2.77Å; E8-W11 PolarHBondContact O-N 3.47Å; S9-W11 VanDerWaalsContact C-N 3.33Å; W11-G13 VanDerWaalsContact C-N 3.34Å; W11-L14 HydrophobicContact CE3-CD2 4.44Å; W11-L14 HydrophobicContact CZ3-CD2 4.35Å; W11-L14 PolarHBondContact O-N 2.84Å; W11-V15 VanDerWaalsContact O-CG2 3.29Å; W11-V15 WeakPolarHBondContact O-CG2 3.39Å; W11-V15 PolarHBondContact O-N 2.95Å |
| 12 | Q | 90.2 | Very high | 82.8 | Confident | 123 Ų | 123 | 106.3 Ų | 106.3 | 58% | 0.575 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.2 | -40.1 | 175 | -71.6 | 176 | 10.1 | 0 | 0 | 111.7 | E8 S9 V15 S16 | E8-Q12 WeakPolarHBondContact O-CG 3.33Å; E8-Q12 PolarHBondContact O-N 2.97Å; S9-Q12 PolarHBondContact O-N 3.15Å; Q12-V15 PolarHBondContact O-N 3.18Å; Q12-S16 WeakPolarHBondContact O-CB 3.19Å; Q12-S16 PolarHBondContact O-N 3.35Å |
| 13 | G | 92.1 | Very high | 85.4 | Confident | 28 Ų | 28 | 105.1 Ų | 105.1 | 29% | 0.289 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.6 | -51.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S9 D10 W11 V15 S16 E17 | S9-G13 PolarHBondContact O-N 2.88Å; D10-G13 PolarHBondContact O-N 3.35Å; W11-G13 VanDerWaalsContact C-N 3.34Å; G13-V15 VanDerWaalsContact C-N 3.35Å; G13-V15 PolarHBondContact O-N 2.85Å; G13-S16 WeakPolarHBondContact O-CB 3.4Å; G13-S16 PolarHBondContact O-N 2.9Å; G13-S16 VanDerWaalsContact O-N 3.11Å; G13-S16 PolarHBondContact O-OG 3.24Å; G13-E17 WeakPolarHBondContact O-CG 3.39Å; G13-E17 PolarHBondContact O-N 3.47Å |
| 14 | L | 93.9 | Very high | 87.7 | Confident | 89 Ų | 89 | 106.7 Ų | 106.7 | 47% | 0.466 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 179.2 | -169.2 | 66.9 | 0 | 0 | 0 | 112.8 | D10 W11 E17 F18 | D10-L14 WeakPolarHBondContact O-CB 3.33Å; D10-L14 PolarHBondContact O-N 3.48Å; W11-L14 HydrophobicContact CE3-CD2 4.44Å; W11-L14 HydrophobicContact CZ3-CD2 4.35Å; W11-L14 PolarHBondContact O-N 2.84Å; L14-E17 PolarHBondContact O-N 2.87Å; L14-F18 WeakPolarHBondContact O-CB 3.22Å; L14-F18 PolarHBondContact O-N 2.78Å |
| 15 | V | 93.9 | Very high | 89.6 | Confident | 84 Ų | 84 | 106.9 Ų | 106.9 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | W11 Q12 G13 F18 L19 | W11-V15 VanDerWaalsContact O-CG2 3.29Å; W11-V15 WeakPolarHBondContact O-CG2 3.39Å; W11-V15 PolarHBondContact O-N 2.95Å; Q12-V15 PolarHBondContact O-N 3.18Å; G13-V15 VanDerWaalsContact C-N 3.35Å; G13-V15 PolarHBondContact O-N 2.85Å; V15-F18 PolarHBondContact O-N 3.4Å; V15-L19 HydrophobicContact CG1-CD1 4.2Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.34Å; V15-L19 PolarHBondContact O-N 3.39Å |
| 16 | S | 93.3 | Very high | 91.3 | Very high | 63 Ų | 63 | 101.6 Ų | 101.6 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 177.4 | 79.5 | 0 | 0 | 0 | 0 | 111.8 | Q12 G13 L19 V20 | Q12-S16 WeakPolarHBondContact O-CB 3.19Å; Q12-S16 PolarHBondContact O-N 3.35Å; G13-S16 WeakPolarHBondContact O-CB 3.4Å; G13-S16 PolarHBondContact O-N 2.9Å; G13-S16 VanDerWaalsContact O-N 3.11Å; G13-S16 PolarHBondContact O-OG 3.24Å; S16-L19 PolarHBondContact O-N 2.78Å; S16-V20 WeakPolarHBondContact O-CG2 3.44Å; S16-V20 PolarHBondContact O-N 2.83Å |
| 17 | E | 94.7 | Very high | 92.8 | Very high | 122 Ų | 122 | 97.4 Ų | 97.4 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -44.3 | 175.9 | -72.3 | -178.6 | 179.7 | 0 | 0 | 111.5 | G13 L14 L19 V20 C21 | G13-E17 WeakPolarHBondContact O-CG 3.39Å; G13-E17 PolarHBondContact O-N 3.47Å; L14-E17 PolarHBondContact O-N 2.87Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.78Å; E17-V20 PolarHBondContact O-N 3.27Å; E17-C21 WeakPolarHBondContact O-CB 3.23Å; E17-C21 PolarHBondContact O-N 2.7Å; E17-C21 PolarHBondContact O-SG 3.29Å; E17-C21 VanDerWaalsContact O-SG 3.39Å |
| 18 | F | 96.2 | Very high | 93.8 | Very high | 135 Ų | 135 | 102.2 Ų | 102.2 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.7 | -43.6 | 174.5 | 173.7 | -100.2 | 0 | 0 | 0 | 111.8 | L14 V15 C21 K22 | L14-F18 WeakPolarHBondContact O-CB 3.22Å; L14-F18 PolarHBondContact O-N 2.78Å; V15-F18 PolarHBondContact O-N 3.4Å; F18-C21 PolarHBondContact O-N 2.9Å; F18-K22 WeakPolarHBondContact O-CB 3.26Å; F18-K22 PolarHBondContact O-N 3.43Å |
| 19 | L | 96.9 | Very high | 94.6 | Very high | 85 Ų | 85 | 101.1 Ų | 101.1 | 45% | 0.445 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -35.5 | 177.5 | -70.5 | 173.3 | 0 | 0 | 0 | 112.9 | V15 S16 E17 R23 | V15-L19 HydrophobicContact CG1-CD1 4.2Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.34Å; V15-L19 PolarHBondContact O-N 3.39Å; S16-L19 PolarHBondContact O-N 2.78Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.78Å; L19-R23 PolarHBondContact O-N 3.17Å; L19-R23 VanDerWaalsContact O-N 3.08Å; L19-R23 PolarHBondContact O-NE 2.82Å |
| 20 | V | 96.8 | Very high | 95.3 | Very high | 54 Ų | 54 | 103.3 Ų | 103.3 | 33% | 0.327 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 171.8 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | S16 E17 K22 R23 K24 | S16-V20 WeakPolarHBondContact O-CG2 3.44Å; S16-V20 PolarHBondContact O-N 2.83Å; E17-V20 PolarHBondContact O-N 3.27Å; V20-K22 VanDerWaalsContact C-N 3.33Å; V20-K22 PolarHBondContact O-N 3.4Å; V20-R23 PolarHBondContact O-N 3.06Å; V20-K24 HydrophobicContact CG1-CD 4.09Å; V20-K24 HydrophobicContact CG1-CG 4.39Å; V20-K24 WeakPolarHBondContact O-CG 3.42Å; V20-K24 PolarHBondContact O-N 3.21Å |
| 21 | C | 96.6 | Very high | 95.8 | Very high | 80 Ų | 80 | 101 Ų | 101 | 54% | 0.541 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 177.4 | -75.2 | 0 | 0 | 0 | 0 | 111.8 | E17 F18 K24 L25 | E17-C21 WeakPolarHBondContact O-CB 3.23Å; E17-C21 PolarHBondContact O-N 2.7Å; E17-C21 PolarHBondContact O-SG 3.29Å; E17-C21 VanDerWaalsContact O-SG 3.39Å; F18-C21 PolarHBondContact O-N 2.9Å; C21-K24 PolarHBondContact O-N 3.21Å; C21-L25 WeakPolarHBondContact O-CB 3.41Å; C21-L25 PolarHBondContact O-N 3.34Å |
| 22 | K | 97.7 | Very high | 96.2 | Very high | 112 Ų | 112 | 100.5 Ų | 100.5 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 174.9 | -175 | 179.5 | 178 | -178 | 0 | 111.6 | F18 V20 K24 L25 E26 | F18-K22 WeakPolarHBondContact O-CB 3.26Å; F18-K22 PolarHBondContact O-N 3.43Å; V20-K22 VanDerWaalsContact C-N 3.33Å; V20-K22 PolarHBondContact O-N 3.4Å; K22-K24 PolarHBondContact O-N 3.42Å; K22-L25 PolarHBondContact O-N 2.75Å; K22-E26 WeakPolarHBondContact O-CG 3.31Å; K22-E26 PolarHBondContact O-N 3.26Å |
| 23 | R | 97.5 | Very high | 96.6 | Very high | 173 Ų | 173 | 99 Ų | 99 | 65% | 0.653 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 177 | -77.9 | -176.3 | -72.1 | 152.9 | -7.3 | 112.6 | L19 V20 L25 E26 S27 | L19-R23 PolarHBondContact O-N 3.17Å; L19-R23 VanDerWaalsContact O-N 3.08Å; L19-R23 PolarHBondContact O-NE 2.82Å; V20-R23 PolarHBondContact O-N 3.06Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 2.83Å; R23-E26 PolarHBondContact O-N 3.38Å; R23-S27 WeakPolarHBondContact O-CB 3.38Å; R23-S27 PolarHBondContact O-N 2.87Å |
| 24 | K | 97.7 | Very high | 96.9 | Very high | 132 Ų | 132 | 102 Ų | 102 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | 175.4 | -74.8 | -179.6 | 178.2 | 180 | 0 | 111.8 | V20 C21 K22 K28 | V20-K24 HydrophobicContact CG1-CD 4.09Å; V20-K24 HydrophobicContact CG1-CG 4.39Å; V20-K24 WeakPolarHBondContact O-CG 3.42Å; V20-K24 PolarHBondContact O-N 3.21Å; C21-K24 PolarHBondContact O-N 3.21Å; K22-K24 PolarHBondContact O-N 3.42Å; K24-K28 WeakPolarHBondContact O-CB 3.41Å; K24-K28 VanDerWaalsContact O-CG 3.31Å; K24-K28 WeakPolarHBondContact O-CG 3.42Å; K24-K28 PolarHBondContact O-N 2.98Å |
| 25 | L | 97.8 | Very high | 97.1 | Very high | 118 Ų | 118 | 102.6 Ų | 102.6 | 62% | 0.618 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.7 | -46.7 | 176.9 | -178.4 | 63.8 | 0 | 0 | 0 | 111.3 | C21 K22 R23 K28 K29 | C21-L25 WeakPolarHBondContact O-CB 3.41Å; C21-L25 PolarHBondContact O-N 3.34Å; K22-L25 PolarHBondContact O-N 2.75Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 2.83Å; L25-K28 PolarHBondContact O-N 2.75Å; L25-K29 WeakPolarHBondContact O-CB 3.28Å; L25-K29 PolarHBondContact O-N 2.97Å |
| 26 | E | 97.2 | Very high | 97.3 | Very high | 79 Ų | 79 | 101.6 Ų | 101.6 | 37% | 0.369 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 176.9 | -66.4 | -63.7 | 173.2 | 0 | 0 | 111.6 | K22 R23 K28 K29 E30 | K22-E26 WeakPolarHBondContact O-CG 3.31Å; K22-E26 PolarHBondContact O-N 3.26Å; R23-E26 PolarHBondContact O-N 3.38Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 3.37Å; E26-K29 WeakPolarHBondContact O-CB 3.47Å; E26-K29 PolarHBondContact O-N 3.08Å; E26-K29 VanDerWaalsContact O-N 3.12Å; E26-K29 IonicContact OE2-NZ 3Å; E26-E30 WeakPolarHBondContact O-CG 3.24Å; E26-E30 PolarHBondContact O-N 2.97Å |
| 27 | S | 97.6 | Very high | 97.5 | Very high | 73 Ų | 73 | 104.8 Ų | 104.8 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | R23 E30 A31 | R23-S27 WeakPolarHBondContact O-CB 3.38Å; R23-S27 PolarHBondContact O-N 2.87Å; S27-E30 PolarHBondContact O-N 3.34Å; S27-A31 WeakPolarHBondContact O-CB 3.45Å; S27-A31 PolarHBondContact O-N 3.2Å |
| 28 | K | 98.2 | Very high | 97.7 | Very high | 146 Ų | 146 | 104.1 Ų | 104.1 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.4 | -38.2 | 174.2 | -76.3 | -178.8 | 178.1 | -170.1 | 0 | 112.3 | K24 L25 E26 A31 L32 | K24-K28 WeakPolarHBondContact O-CB 3.41Å; K24-K28 VanDerWaalsContact O-CG 3.31Å; K24-K28 WeakPolarHBondContact O-CG 3.42Å; K24-K28 PolarHBondContact O-N 2.98Å; L25-K28 PolarHBondContact O-N 2.75Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 3.37Å; K28-A31 PolarHBondContact O-N 2.7Å; K28-L32 WeakPolarHBondContact O-CB 3.08Å; K28-L32 WeakPolarHBondContact O-CG 3.38Å; K28-L32 PolarHBondContact O-N 3.21Å |
| 29 | K | 98.1 | Very high | 97.8 | Very high | 126 Ų | 126 | 102.4 Ų | 102.4 | 55% | 0.548 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 175.5 | 178.8 | -173.6 | 168.8 | -166.2 | 0 | 111.1 | L25 E26 L32 L33 | L25-K29 WeakPolarHBondContact O-CB 3.28Å; L25-K29 PolarHBondContact O-N 2.97Å; E26-K29 WeakPolarHBondContact O-CB 3.47Å; E26-K29 PolarHBondContact O-N 3.08Å; E26-K29 VanDerWaalsContact O-N 3.12Å; E26-K29 IonicContact OE2-NZ 3Å; K29-L32 PolarHBondContact O-N 3.35Å; K29-L33 WeakPolarHBondContact O-CB 3.32Å; K29-L33 PolarHBondContact O-N 3.15Å |
| 30 | E | 97.7 | Very high | 97.8 | Very high | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 174 | -72.6 | 174.8 | 178.9 | 0 | 0 | 111.7 | E26 S27 L32 L33 I34 | E26-E30 WeakPolarHBondContact O-CG 3.24Å; E26-E30 PolarHBondContact O-N 2.97Å; S27-E30 PolarHBondContact O-N 3.34Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.82Å; E30-L33 WeakPolarHBondContact O-CB 3.46Å; E30-L33 PolarHBondContact O-N 3.06Å; E30-L33 VanDerWaalsContact O-N 3.09Å; E30-I34 WeakPolarHBondContact O-CG1 3.39Å; E30-I34 PolarHBondContact O-N 3.07Å |
| 31 | A | 98.3 | Very high | 97.9 | Very high | 45 Ų | 45 | 102.6 Ų | 102.6 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S27 K28 L33 I34 L35 | S27-A31 WeakPolarHBondContact O-CB 3.45Å; S27-A31 PolarHBondContact O-N 3.2Å; K28-A31 PolarHBondContact O-N 2.7Å; A31-L33 VanDerWaalsContact C-N 3.29Å; A31-L33 PolarHBondContact O-N 2.98Å; A31-I34 PolarHBondContact O-N 3.35Å; A31-L35 WeakPolarHBondContact O-CG 3.27Å; A31-L35 PolarHBondContact O-N 3.34Å |
| 32 | L | 97.9 | Very high | 97.9 | Very high | 121 Ų | 121 | 102.3 Ų | 102.3 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -36.3 | 173.9 | -76.6 | 173.3 | 0 | 0 | 0 | 112.2 | K28 K29 E30 L35 S36 | K28-L32 WeakPolarHBondContact O-CB 3.08Å; K28-L32 WeakPolarHBondContact O-CG 3.38Å; K28-L32 PolarHBondContact O-N 3.21Å; K29-L32 PolarHBondContact O-N 3.35Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.82Å; L32-L35 PolarHBondContact O-N 3.16Å; L32-S36 WeakPolarHBondContact O-CB 3.46Å; L32-S36 PolarHBondContact O-N 2.81Å |
| 33 | L | 98.3 | Very high | 97.9 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70 | -36.2 | 177.6 | -167.9 | 144.9 | 0 | 0 | 0 | 111.9 | K29 E30 A31 K37 | K29-L33 WeakPolarHBondContact O-CB 3.32Å; K29-L33 PolarHBondContact O-N 3.15Å; E30-L33 WeakPolarHBondContact O-CB 3.46Å; E30-L33 PolarHBondContact O-N 3.06Å; E30-L33 VanDerWaalsContact O-N 3.09Å; A31-L33 VanDerWaalsContact C-N 3.29Å; A31-L33 PolarHBondContact O-N 2.98Å; L33-K37 HydrophobicContact CD2-CD 4.03Å; L33-K37 VanDerWaalsContact CD2-CE 3.45Å; L33-K37 WeakPolarHBondContact O-CG 3.49Å; L33-K37 PolarHBondContact O-N 3.32Å; L33-K37 VanDerWaalsContact O-N 3.16Å |
| 34 | I | 98.2 | Very high | 97.9 | Very high | 91 Ų | 91 | 98.7 Ų | 98.7 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -51 | 172.2 | -65.5 | 166.6 | 0 | 0 | 0 | 110 | E30 A31 S36 K37 E38 | E30-I34 WeakPolarHBondContact O-CG1 3.39Å; E30-I34 PolarHBondContact O-N 3.07Å; A31-I34 PolarHBondContact O-N 3.35Å; I34-S36 VanDerWaalsContact C-N 3.29Å; I34-S36 PolarHBondContact O-N 3.17Å; I34-K37 WeakPolarHBondContact O-CB 3.42Å; I34-K37 PolarHBondContact O-N 3.13Å; I34-E38 HydrophobicContact CG2-CG 4.43Å; I34-E38 WeakPolarHBondContact CG2-OE1 3.26Å; I34-E38 PolarHBondContact O-N 3.4Å |
| 35 | L | 98 | Very high | 97.9 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -37.5 | 178.8 | -71.8 | 172.8 | 0 | 0 | 0 | 112.6 | A31 L32 K37 E38 L39 | A31-L35 WeakPolarHBondContact O-CG 3.27Å; A31-L35 PolarHBondContact O-N 3.34Å; L32-L35 PolarHBondContact O-N 3.16Å; L35-K37 VanDerWaalsContact C-N 3.34Å; L35-E38 PolarHBondContact O-N 2.91Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 PolarHBondContact O-N 3.31Å |
| 36 | S | 98.1 | Very high | 97.9 | Very high | 63 Ų | 63 | 97.4 Ų | 97.4 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 174.4 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | L32 I34 L39 D40 | L32-S36 WeakPolarHBondContact O-CB 3.46Å; L32-S36 PolarHBondContact O-N 2.81Å; I34-S36 VanDerWaalsContact C-N 3.29Å; I34-S36 PolarHBondContact O-N 3.17Å; S36-L39 PolarHBondContact O-N 2.97Å; S36-D40 VanDerWaalsContact O-CG 3.23Å; S36-D40 PolarHBondContact O-N 3.32Å |
| 37 | K | 98.3 | Very high | 97.9 | Very high | 130 Ų | 130 | 97.3 Ų | 97.3 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66 | -43.8 | 177.4 | -73.6 | 173.8 | 175.1 | 177.9 | 0 | 112 | L33 I34 L35 L39 D40 T41 | L33-K37 HydrophobicContact CD2-CD 4.03Å; L33-K37 VanDerWaalsContact CD2-CE 3.45Å; L33-K37 WeakPolarHBondContact O-CG 3.49Å; L33-K37 PolarHBondContact O-N 3.32Å; L33-K37 VanDerWaalsContact O-N 3.16Å; I34-K37 WeakPolarHBondContact O-CB 3.42Å; I34-K37 PolarHBondContact O-N 3.13Å; L35-K37 VanDerWaalsContact C-N 3.34Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 2.76Å; K37-D40 PolarHBondContact O-N 2.89Å; K37-T41 PolarHBondContact O-N 3.41Å; K37-T41 PolarHBondContact O-OG1 3.28Å; K37-T41 VanDerWaalsContact O-OG1 3.09Å |
| 38 | E | 98.1 | Very high | 98 | Very high | 108 Ų | 108 | 99.4 Ų | 99.4 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.2 | -71.7 | 176 | -178.8 | 0 | 0 | 111.3 | I34 L35 D40 T41 C42 | I34-E38 HydrophobicContact CG2-CG 4.43Å; I34-E38 WeakPolarHBondContact CG2-OE1 3.26Å; I34-E38 PolarHBondContact O-N 3.4Å; L35-E38 PolarHBondContact O-N 2.91Å; E38-D40 PolarHBondContact O-N 2.88Å; E38-T41 PolarHBondContact O-N 3.25Å; E38-C42 PolarHBondContact O-N 2.84Å; E38-C42 PolarHBondContact O-SG 3.18Å; E38-C42 VanDerWaalsContact O-SG 3.36Å |
| 39 | L | 98.1 | Very high | 97.9 | Very high | 99 Ų | 99 | 99.7 Ų | 99.7 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.4 | -179.1 | 63.7 | 0 | 0 | 0 | 111.8 | L35 S36 K37 T41 C42 Q43 | L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 PolarHBondContact O-N 3.31Å; S36-L39 PolarHBondContact O-N 2.97Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-L39 PolarHBondContact O-N 2.76Å; L39-T41 VanDerWaalsContact C-N 3.33Å; L39-T41 PolarHBondContact O-N 2.98Å; L39-C42 PolarHBondContact O-N 2.82Å; L39-Q43 VanDerWaalsContact O-CG 3.28Å; L39-Q43 WeakPolarHBondContact O-CG 3.49Å; L39-Q43 PolarHBondContact O-N 3.29Å |
| 40 | D | 98.1 | Very high | 97.9 | Very high | 75 Ų | 75 | 100.2 Ų | 100.2 | 40% | 0.401 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 176.8 | -67.2 | -25.2 | 0 | 0 | 0 | 111.2 | S36 K37 E38 Q43 Q44 | S36-D40 VanDerWaalsContact O-CG 3.23Å; S36-D40 PolarHBondContact O-N 3.32Å; K37-D40 PolarHBondContact O-N 2.89Å; E38-D40 PolarHBondContact O-N 2.88Å; D40-Q43 PolarHBondContact O-N 2.88Å; D40-Q44 VanDerWaalsContact O-CG 3.3Å; D40-Q44 WeakPolarHBondContact O-CG 3.31Å; D40-Q44 PolarHBondContact O-N 3.29Å |
| 41 | T | 97.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 99.1 Ų | 99.1 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 175 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | K37 E38 L39 Q43 Q44 E45 | K37-T41 PolarHBondContact O-N 3.41Å; K37-T41 PolarHBondContact O-OG1 3.28Å; K37-T41 VanDerWaalsContact O-OG1 3.09Å; E38-T41 PolarHBondContact O-N 3.25Å; L39-T41 VanDerWaalsContact C-N 3.33Å; L39-T41 PolarHBondContact O-N 2.98Å; T41-Q43 VanDerWaalsContact C-N 3.27Å; T41-Q43 PolarHBondContact O-N 3.36Å; T41-Q44 WeakPolarHBondContact O-CB 3.26Å; T41-Q44 PolarHBondContact O-N 2.82Å; T41-Q44 VanDerWaalsContact O-N 3.13Å; T41-E45 WeakPolarHBondContact O-CG 3.4Å; T41-E45 PolarHBondContact O-N 3.45Å |
| 42 | C | 97.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 102 Ų | 102 | 51% | 0.507 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -35.1 | 177 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | E38 L39 R46 | E38-C42 PolarHBondContact O-N 2.84Å; E38-C42 PolarHBondContact O-SG 3.18Å; E38-C42 VanDerWaalsContact O-SG 3.36Å; L39-C42 PolarHBondContact O-N 2.82Å; C42-R46 WeakPolarHBondContact O-CB 3.41Å; C42-R46 PolarHBondContact O-N 2.86Å |
| 43 | Q | 97.7 | Very high | 97.7 | Very high | 77 Ų | 77 | 98.6 Ų | 98.6 | 36% | 0.36 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 174.4 | -73.9 | 177.1 | 15.5 | 0 | 0 | 111.8 | L39 D40 T41 R46 D47 | L39-Q43 VanDerWaalsContact O-CG 3.28Å; L39-Q43 WeakPolarHBondContact O-CG 3.49Å; L39-Q43 PolarHBondContact O-N 3.29Å; D40-Q43 PolarHBondContact O-N 2.88Å; T41-Q43 VanDerWaalsContact C-N 3.27Å; T41-Q43 PolarHBondContact O-N 3.36Å; Q43-R46 PolarHBondContact O-N 3.38Å; Q43-D47 WeakPolarHBondContact O-CB 3.44Å; Q43-D47 PolarHBondContact O-N 3.41Å |
| 44 | Q | 98.1 | Very high | 97.6 | Very high | 132 Ų | 132 | 97.3 Ų | 97.3 | 62% | 0.617 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | 175.6 | -70.8 | 169.5 | 18.6 | 0 | 0 | 111.7 | D40 T41 D47 Q48 | D40-Q44 VanDerWaalsContact O-CG 3.3Å; D40-Q44 WeakPolarHBondContact O-CG 3.31Å; D40-Q44 PolarHBondContact O-N 3.29Å; T41-Q44 WeakPolarHBondContact O-CB 3.26Å; T41-Q44 PolarHBondContact O-N 2.82Å; T41-Q44 VanDerWaalsContact O-N 3.13Å; Q44-D47 PolarHBondContact O-N 3.28Å; Q44-Q48 WeakPolarHBondContact O-CB 3.38Å; Q44-Q48 PolarHBondContact O-N 2.81Å |
| 45 | E | 97.5 | Very high | 97.5 | Very high | 88 Ų | 88 | 97.3 Ų | 97.3 | 41% | 0.411 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 176.5 | -71.9 | 174.4 | 174 | 0 | 0 | 111.3 | T41 D47 Q48 Y49 | T41-E45 WeakPolarHBondContact O-CG 3.4Å; T41-E45 PolarHBondContact O-N 3.45Å; E45-D47 VanDerWaalsContact C-N 3.31Å; E45-D47 PolarHBondContact O-N 3.2Å; E45-Q48 WeakPolarHBondContact O-CB 3.25Å; E45-Q48 PolarHBondContact O-N 2.92Å; E45-Y49 HydrophobicContact CB-CD2 4.49Å; E45-Y49 HydrophobicContact CB-CE2 4.15Å; E45-Y49 WeakPolarHBondContact O-CD2 3.35Å; E45-Y49 PolarHBondContact O-N 3.45Å |
| 46 | R | 97.6 | Very high | 97.3 | Very high | 135 Ų | 135 | 98.3 Ų | 98.3 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.5 | -47.1 | 174.4 | 178.4 | -154.2 | 65.4 | -155.6 | -8.7 | 111.5 | C42 Q43 Q48 Y49 K50 | C42-R46 WeakPolarHBondContact O-CB 3.41Å; C42-R46 PolarHBondContact O-N 2.86Å; Q43-R46 PolarHBondContact O-N 3.38Å; R46-Q48 VanDerWaalsContact C-N 3.33Å; R46-Y49 PolarHBondContact O-N 2.88Å; R46-K50 WeakPolarHBondContact O-CB 3.48Å; R46-K50 PolarHBondContact O-N 3.49Å |
| 47 | D | 98.1 | Very high | 97.2 | Very high | 77 Ų | 77 | 102.1 Ų | 102.1 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.1 | -35.8 | -177.7 | -68.6 | -17 | 0 | 0 | 0 | 111.6 | Q43 Q44 E45 K50 L51 | Q43-D47 WeakPolarHBondContact O-CB 3.44Å; Q43-D47 PolarHBondContact O-N 3.41Å; Q44-D47 PolarHBondContact O-N 3.28Å; E45-D47 VanDerWaalsContact C-N 3.31Å; E45-D47 PolarHBondContact O-N 3.2Å; D47-K50 PolarHBondContact O-N 2.97Å; D47-L51 WeakPolarHBondContact O-CB 3.45Å; D47-L51 PolarHBondContact O-N 2.86Å |
| 48 | Q | 97.8 | Very high | 97 | Very high | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 171.6 | -175.2 | -180 | 2.7 | 0 | 0 | 111.7 | Q44 E45 R46 K50 L51 M52 | Q44-Q48 WeakPolarHBondContact O-CB 3.38Å; Q44-Q48 PolarHBondContact O-N 2.81Å; E45-Q48 WeakPolarHBondContact O-CB 3.25Å; E45-Q48 PolarHBondContact O-N 2.92Å; R46-Q48 VanDerWaalsContact C-N 3.33Å; Q48-K50 VanDerWaalsContact C-N 3.33Å; Q48-K50 PolarHBondContact O-N 3.28Å; Q48-L51 WeakPolarHBondContact O-CB 3.32Å; Q48-L51 PolarHBondContact O-N 2.99Å; Q48-M52 HydrophobicContact CG-SD 4.49Å; Q48-M52 WeakPolarHBondContact O-CG 3.42Å; Q48-M52 PolarHBondContact O-N 3.48Å |
| 49 | Y | 97.4 | Very high | 96.7 | Very high | 152 Ų | 152 | 106.6 Ų | 106.6 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 177.5 | -68.5 | -51.4 | 0 | 0 | 0 | 112.1 | E45 R46 L51 M52 A53 | E45-Y49 HydrophobicContact CB-CD2 4.49Å; E45-Y49 HydrophobicContact CB-CE2 4.15Å; E45-Y49 WeakPolarHBondContact O-CD2 3.35Å; E45-Y49 PolarHBondContact O-N 3.45Å; R46-Y49 PolarHBondContact O-N 2.88Å; Y49-L51 VanDerWaalsContact C-N 3.31Å; Y49-L51 PolarHBondContact O-N 2.91Å; Y49-M52 PolarHBondContact O-N 3.31Å; Y49-A53 WeakPolarHBondContact O-CB 3.39Å; Y49-A53 PolarHBondContact O-N 2.86Å |
| 50 | K | 97.7 | Very high | 96.5 | Very high | 137 Ų | 137 | 107.4 Ų | 107.4 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -41.4 | 175 | -171.9 | 175.7 | -178.3 | 178.5 | 0 | 111.5 | R46 D47 Q48 N54 | R46-K50 WeakPolarHBondContact O-CB 3.48Å; R46-K50 PolarHBondContact O-N 3.49Å; D47-K50 PolarHBondContact O-N 2.97Å; Q48-K50 VanDerWaalsContact C-N 3.33Å; Q48-K50 PolarHBondContact O-N 3.28Å; K50-N54 WeakPolarHBondContact O-CB 3.34Å; K50-N54 VanDerWaalsContact O-CG 3.23Å; K50-N54 PolarHBondContact O-N 2.86Å; K50-N54 PolarHBondContact O-ND2 2.88Å |
| 51 | L | 97.9 | Very high | 96.2 | Very high | 99 Ų | 99 | 109.5 Ų | 109.5 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 175.8 | -177.3 | 66.2 | 0 | 0 | 0 | 111.5 | D47 Q48 Y49 A53 N54 Q55 | D47-L51 WeakPolarHBondContact O-CB 3.45Å; D47-L51 PolarHBondContact O-N 2.86Å; Q48-L51 WeakPolarHBondContact O-CB 3.32Å; Q48-L51 PolarHBondContact O-N 2.99Å; Y49-L51 VanDerWaalsContact C-N 3.31Å; Y49-L51 PolarHBondContact O-N 2.91Å; L51-A53 VanDerWaalsContact C-N 3.34Å; L51-A53 PolarHBondContact O-N 3.48Å; L51-N54 PolarHBondContact O-N 3.13Å; L51-Q55 WeakPolarHBondContact O-CG 3.39Å; L51-Q55 PolarHBondContact O-N 3.38Å |
| 52 | M | 96.8 | Very high | 95.8 | Very high | 106 Ų | 106 | 108 Ų | 108 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 178.3 | -70.9 | -178.2 | 70.4 | 0 | 0 | 111.9 | Q48 Y49 N54 Q55 L56 | Q48-M52 HydrophobicContact CG-SD 4.49Å; Q48-M52 WeakPolarHBondContact O-CG 3.42Å; Q48-M52 PolarHBondContact O-N 3.48Å; Y49-M52 PolarHBondContact O-N 3.31Å; M52-N54 VanDerWaalsContact C-N 3.34Å; M52-N54 PolarHBondContact O-N 3.18Å; M52-Q55 PolarHBondContact O-N 3.39Å; M52-L56 WeakPolarHBondContact O-CB 3.44Å; M52-L56 PolarHBondContact O-N 3.48Å |
| 53 | A | 94.6 | Very high | 95.3 | Very high | 48 Ų | 48 | 108.6 Ų | 108.6 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y49 L51 L56 R57 | Y49-A53 WeakPolarHBondContact O-CB 3.39Å; Y49-A53 PolarHBondContact O-N 2.86Å; L51-A53 VanDerWaalsContact C-N 3.34Å; L51-A53 PolarHBondContact O-N 3.48Å; A53-L56 PolarHBondContact O-N 2.71Å; A53-R57 WeakPolarHBondContact O-CB 3.38Å; A53-R57 PolarHBondContact O-N 2.92Å |
| 54 | N | 96.1 | Very high | 94.7 | Very high | 66 Ų | 66 | 110.6 Ų | 110.6 | 35% | 0.353 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 176.1 | -73.4 | -21.2 | 0 | 0 | 0 | 112 | K50 L51 M52 L56 R57 E58 | K50-N54 WeakPolarHBondContact O-CB 3.34Å; K50-N54 VanDerWaalsContact O-CG 3.23Å; K50-N54 PolarHBondContact O-N 2.86Å; K50-N54 PolarHBondContact O-ND2 2.88Å; L51-N54 PolarHBondContact O-N 3.13Å; M52-N54 VanDerWaalsContact C-N 3.34Å; M52-N54 PolarHBondContact O-N 3.18Å; N54-L56 VanDerWaalsContact C-N 3.34Å; N54-L56 PolarHBondContact O-N 3.2Å; N54-R57 PolarHBondContact O-N 2.84Å; N54-E58 WeakPolarHBondContact O-CB 3.44Å; N54-E58 PolarHBondContact O-N 2.97Å |
| 55 | Q | 96.4 | Very high | 94.1 | Very high | 91 Ų | 91 | 110.8 Ų | 110.8 | 43% | 0.425 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 175.6 | -72.9 | 177.1 | 3.4 | 0 | 0 | 111.8 | L51 M52 E58 R59 | L51-Q55 WeakPolarHBondContact O-CG 3.39Å; L51-Q55 PolarHBondContact O-N 3.38Å; M52-Q55 PolarHBondContact O-N 3.39Å; Q55-E58 PolarHBondContact O-N 3.37Å; Q55-R59 WeakPolarHBondContact O-CG 3.47Å; Q55-R59 PolarHBondContact O-N 2.91Å |
| 56 | L | 94.8 | Very high | 93.4 | Very high | 123 Ų | 123 | 113.4 Ų | 113.4 | 64% | 0.644 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 176.8 | -173.7 | 63.3 | 0 | 0 | 0 | 111.1 | M52 A53 N54 E58 R59 H60 | M52-L56 WeakPolarHBondContact O-CB 3.44Å; M52-L56 PolarHBondContact O-N 3.48Å; A53-L56 PolarHBondContact O-N 2.71Å; N54-L56 VanDerWaalsContact C-N 3.34Å; N54-L56 PolarHBondContact O-N 3.2Å; L56-E58 PolarHBondContact O-N 2.85Å; L56-R59 PolarHBondContact O-N 2.93Å; L56-H60 WeakPolarHBondContact O-CB 3.45Å; L56-H60 PolarHBondContact O-N 3.04Å |
| 57 | R | 94.8 | Very high | 92.3 | Very high | 142 Ų | 142 | 113.5 Ų | 113.5 | 54% | 0.536 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 175.9 | -170.2 | -173.9 | -56.3 | 155.5 | 5.6 | 111.9 | A53 N54 H60 Q61 | A53-R57 WeakPolarHBondContact O-CB 3.38Å; A53-R57 PolarHBondContact O-N 2.92Å; N54-R57 PolarHBondContact O-N 2.84Å; R57-H60 PolarHBondContact O-N 3.22Å; R57-Q61 WeakPolarHBondContact O-CB 3.4Å; R57-Q61 VanDerWaalsContact O-CG 3.3Å; R57-Q61 WeakPolarHBondContact O-CG 3.43Å; R57-Q61 PolarHBondContact O-N 3.41Å |
| 58 | E | 94.1 | Very high | 91.2 | Very high | 142 Ų | 142 | 117 Ų | 117 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.1 | -43.1 | 178.4 | -172.6 | 177.5 | -169 | 0 | 0 | 111.7 | N54 Q55 L56 H60 Q61 G62 | N54-E58 WeakPolarHBondContact O-CB 3.44Å; N54-E58 PolarHBondContact O-N 2.97Å; Q55-E58 PolarHBondContact O-N 3.37Å; L56-E58 PolarHBondContact O-N 2.85Å; E58-H60 PolarHBondContact O-N 2.91Å; E58-Q61 PolarHBondContact O-N 3.46Å; E58-G62 PolarHBondContact O-N 3.17Å |
| 59 | R | 93.1 | Very high | 89.9 | Confident | 191 Ų | 191 | 116.7 Ų | 116.7 | 72% | 0.721 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.1 | -45.5 | 173.7 | -75.5 | -178 | -178.3 | 177.2 | 2.9 | 111.7 | Q55 L56 G62 L63 | Q55-R59 WeakPolarHBondContact O-CG 3.47Å; Q55-R59 PolarHBondContact O-N 2.91Å; L56-R59 PolarHBondContact O-N 2.93Å; R59-G62 PolarHBondContact O-N 3.42Å; R59-L63 VanDerWaalsContact O-CB 3.29Å; R59-L63 WeakPolarHBondContact O-CB 3.31Å; R59-L63 PolarHBondContact O-N 3.29Å |
| 60 | H | 92.2 | Very high | 88.4 | Confident | 116 Ų | 116 | 115.2 Ų | 115.2 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 178.6 | -176.3 | 85.1 | 0 | 0 | 0 | 111.5 | L56 R57 E58 G62 L63 K64 | L56-H60 WeakPolarHBondContact O-CB 3.45Å; L56-H60 PolarHBondContact O-N 3.04Å; R57-H60 PolarHBondContact O-N 3.22Å; E58-H60 PolarHBondContact O-N 2.91Å; H60-G62 PolarHBondContact O-N 2.87Å; H60-L63 PolarHBondContact O-N 2.93Å; H60-K64 VanDerWaalsContact O-CB 3.3Å; H60-K64 WeakPolarHBondContact O-CB 3.39Å; H60-K64 PolarHBondContact O-N 2.97Å |
| 61 | Q | 91.8 | Very high | 86.8 | Confident | 119 Ų | 119 | 114.2 Ų | 114.2 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 175.5 | -74.9 | 178.4 | 3.6 | 0 | 0 | 112.2 | R57 E58 L63 K64 K65 | R57-Q61 WeakPolarHBondContact O-CB 3.4Å; R57-Q61 VanDerWaalsContact O-CG 3.3Å; R57-Q61 WeakPolarHBondContact O-CG 3.43Å; R57-Q61 PolarHBondContact O-N 3.41Å; E58-Q61 PolarHBondContact O-N 3.46Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 2.87Å; Q61-K64 PolarHBondContact O-N 3.47Å; Q61-K65 WeakPolarHBondContact O-CB 3.4Å; Q61-K65 PolarHBondContact O-N 3.33Å |
| 62 | G | 90.3 | Very high | 85 | Confident | 34 Ų | 34 | 113.1 Ų | 113.1 | 35% | 0.351 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E58 R59 H60 K65 K66 | E58-G62 PolarHBondContact O-N 3.17Å; R59-G62 PolarHBondContact O-N 3.42Å; H60-G62 PolarHBondContact O-N 2.87Å; G62-K65 PolarHBondContact O-N 3.32Å; G62-K66 WeakPolarHBondContact O-CG 3.28Å; G62-K66 PolarHBondContact O-N 2.86Å |
| 63 | L | 86.8 | Confident | 83.3 | Confident | 88 Ų | 88 | 109.1 Ų | 109.1 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 176.6 | -168.2 | 64.8 | 0 | 0 | 0 | 111.4 | R59 H60 Q61 K65 K66 Y67 | R59-L63 VanDerWaalsContact O-CB 3.29Å; R59-L63 WeakPolarHBondContact O-CB 3.31Å; R59-L63 PolarHBondContact O-N 3.29Å; H60-L63 PolarHBondContact O-N 2.93Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 2.87Å; L63-K65 VanDerWaalsContact C-N 3.27Å; L63-K65 PolarHBondContact O-N 3.42Å; L63-K66 WeakPolarHBondContact O-CB 3.4Å; L63-K66 PolarHBondContact O-N 2.93Å; L63-K66 VanDerWaalsContact O-N 3.12Å; L63-Y67 HydrophobicContact CD1-CD2 4.18Å; L63-Y67 HydrophobicContact CD1-CE2 3.73Å; L63-Y67 HydrophobicContact CD2-CE2 3.96Å; L63-Y67 HydrophobicContact CG-CD2 3.79Å; L63-Y67 HydrophobicContact CG-CE2 3.52Å; L63-Y67 VanDerWaalsContact O-CD2 3.22Å; L63-Y67 WeakPolarHBondContact O-CD2 3.28Å; L63-Y67 PolarHBondContact O-N 3.42Å |
| 64 | K | 85.9 | Confident | 81.5 | Confident | 119 Ų | 119 | 111.5 Ų | 111.5 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57 | -40.3 | 173.8 | -175 | 173.9 | -176.1 | 169.2 | 0 | 111.8 | H60 Q61 R68 | H60-K64 VanDerWaalsContact O-CB 3.3Å; H60-K64 WeakPolarHBondContact O-CB 3.39Å; H60-K64 PolarHBondContact O-N 2.97Å; Q61-K64 PolarHBondContact O-N 3.47Å; K64-R68 WeakPolarHBondContact O-CB 3.5Å; K64-R68 PolarHBondContact O-N 3.46Å |
| 65 | K | 85.4 | Confident | 79.7 | Confident | 137 Ų | 137 | 113.6 Ų | 113.6 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 174.9 | -169.2 | -178.7 | -179.9 | -172 | 0 | 111.6 | Q61 G62 L63 Y67 R68 E69 | Q61-K65 WeakPolarHBondContact O-CB 3.4Å; Q61-K65 PolarHBondContact O-N 3.33Å; G62-K65 PolarHBondContact O-N 3.32Å; L63-K65 VanDerWaalsContact C-N 3.27Å; L63-K65 PolarHBondContact O-N 3.42Å; K65-Y67 PolarHBondContact O-N 3.25Å; K65-R68 PolarHBondContact O-N 3.27Å; K65-E69 WeakPolarHBondContact CE-OE1 3.32Å; K65-E69 WeakPolarHBondContact O-CG 3.42Å; K65-E69 PolarHBondContact O-N 3.42Å |
| 66 | K | 81.6 | Confident | 78.1 | Confident | 142 Ų | 142 | 113.6 Ų | 113.6 | 62% | 0.617 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.2 | -44 | 175.4 | -73.6 | 177.3 | -178.9 | -176.9 | 0 | 112.6 | G62 L63 E69 L70 | G62-K66 WeakPolarHBondContact O-CG 3.28Å; G62-K66 PolarHBondContact O-N 2.86Å; L63-K66 WeakPolarHBondContact O-CB 3.4Å; L63-K66 PolarHBondContact O-N 2.93Å; L63-K66 VanDerWaalsContact O-N 3.12Å; K66-E69 PolarHBondContact O-N 2.91Å; K66-L70 WeakPolarHBondContact O-CB 3.41Å; K66-L70 PolarHBondContact O-N 3.19Å |
| 67 | Y | 75.4 | Confident | 76.2 | Confident | 137 Ų | 137 | 110.6 Ų | 110.6 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 176.2 | -83.2 | -70 | 0 | 0 | 0 | 111.6 | L63 K65 L70 I71 | L63-Y67 HydrophobicContact CD1-CD2 4.18Å; L63-Y67 HydrophobicContact CD1-CE2 3.73Å; L63-Y67 HydrophobicContact CD2-CE2 3.96Å; L63-Y67 HydrophobicContact CG-CD2 3.79Å; L63-Y67 HydrophobicContact CG-CE2 3.52Å; L63-Y67 VanDerWaalsContact O-CD2 3.22Å; L63-Y67 WeakPolarHBondContact O-CD2 3.28Å; L63-Y67 PolarHBondContact O-N 3.42Å; K65-Y67 PolarHBondContact O-N 3.25Å; Y67-L70 PolarHBondContact O-N 2.91Å; Y67-I71 WeakPolarHBondContact O-CB 3.39Å; Y67-I71 VanDerWaalsContact O-CG1 3.25Å; Y67-I71 WeakPolarHBondContact O-CG1 3.43Å; Y67-I71 PolarHBondContact O-N 2.99Å |
| 68 | R | 74 | Confident | 74.7 | Confident | 152 Ų | 152 | 107 Ų | 107 | 57% | 0.574 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 175.2 | -170.5 | 177.8 | -68.3 | -140.1 | -7.2 | 112.1 | K64 K65 L70 I71 D72 | K64-R68 WeakPolarHBondContact O-CB 3.5Å; K64-R68 PolarHBondContact O-N 3.46Å; K65-R68 PolarHBondContact O-N 3.27Å; R68-L70 VanDerWaalsContact C-N 3.28Å; R68-L70 PolarHBondContact O-N 3.11Å; R68-I71 PolarHBondContact O-N 2.85Å; R68-D72 VanDerWaalsContact CG-OD2 3.28Å; R68-D72 WeakPolarHBondContact CG-OD2 3.3Å; R68-D72 VanDerWaalsContact O-CB 3.31Å; R68-D72 WeakPolarHBondContact O-CB 3.33Å; R68-D72 PolarHBondContact O-N 2.94Å |
| 69 | E | 71 | Confident | 73.1 | Confident | 110 Ų | 110 | 104.5 Ų | 104.5 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -35.5 | 175.6 | -72.6 | 169 | -174.5 | 0 | 0 | 112.3 | K65 K66 G73 | K65-E69 WeakPolarHBondContact CE-OE1 3.32Å; K65-E69 WeakPolarHBondContact O-CG 3.42Å; K65-E69 PolarHBondContact O-N 3.42Å; K66-E69 PolarHBondContact O-N 2.91Å; E69-G73 PolarHBondContact O-N 3.3Å |
| 70 | L | 66 | Low | 71.6 | Confident | 120 Ų | 120 | 102.7 Ų | 102.7 | 63% | 0.628 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.5 | -35.8 | 178.9 | -156.5 | 72.3 | 0 | 0 | 0 | 112.7 | K66 Y67 R68 | K66-L70 WeakPolarHBondContact O-CB 3.41Å; K66-L70 PolarHBondContact O-N 3.19Å; Y67-L70 PolarHBondContact O-N 2.91Å; R68-L70 VanDerWaalsContact C-N 3.28Å; R68-L70 PolarHBondContact O-N 3.11Å |
| 71 | I | 64.1 | Low | 70 | Confident | 117 Ų | 117 | 103.2 Ų | 103.2 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -84.2 | -45.3 | -178.5 | -64.7 | 166.5 | 0 | 0 | 0 | 111.2 | Y67 R68 | Y67-I71 WeakPolarHBondContact O-CB 3.39Å; Y67-I71 VanDerWaalsContact O-CG1 3.25Å; Y67-I71 WeakPolarHBondContact O-CG1 3.43Å; Y67-I71 PolarHBondContact O-N 2.99Å; R68-I71 PolarHBondContact O-N 2.85Å |
| 72 | D | 59.8 | Low | 68.6 | Low | 75 Ų | 75 | 100 Ų | 100 | 40% | 0.401 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -95.7 | -14.7 | -169.1 | -68.8 | -32 | 0 | 0 | 0 | 114.1 | R68 R82 | R68-D72 VanDerWaalsContact CG-OD2 3.28Å; R68-D72 WeakPolarHBondContact CG-OD2 3.3Å; R68-D72 VanDerWaalsContact O-CB 3.31Å; R68-D72 WeakPolarHBondContact O-CB 3.33Å; R68-D72 PolarHBondContact O-N 2.94Å; D72-R82 WeakPolarHBondContact O-CD 3.39Å; D72-R82 PolarHBondContact O-NE 3.01Å; D72-R82 PolarHBondContact O-NH1 3.2Å |
| 73 | G | 61.6 | Low | 67.3 | Low | 23 Ų | 23 | 103.5 Ų | 103.5 | 24% | 0.237 | 52% | 0.52 | C | S | . | . | trans | 54.5 | -165.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | E69 P75 | E69-G73 PolarHBondContact O-N 3.3Å; G73-P75 WeakPolarHBondContact O-CD 3.28Å | ||
| 74 | D | 56.5 | Low | 66.5 | Low | 98 Ų | 98 | 106.3 Ų | 106.3 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | trans | -61.6 | 118.9 | 178.2 | -170 | -28.9 | 0 | 0 | 0 | 110.8 | S76 L77 R82 | D74-S76 PolarHBondContact O-N 3.18Å; D74-S76 WeakPolarHBondContact OD1-CB 3.5Å; D74-S76 PolarHBondContact OD1-N 2.94Å; D74-S76 VanDerWaalsContact OD1-N 3.1Å; D74-S76 PolarHBondContact OD1-OG 3.35Å; D74-S76 PolarHBondContact OD2-OG 3.48Å; D74-L77 PolarHBondContact O-N 3.47Å; D74-R82 PolarHBondContact O-NE 2.82Å | ||
| 75 | P | 59 | Low | 65.6 | Low | 110 Ų | 110 | 104.2 Ų | 104.2 | 71% | 0.714 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.1 | -176.7 | -25 | 34.2 | 0 | 0 | 0 | 114.6 | G73 L77 R82 | G73-P75 WeakPolarHBondContact O-CD 3.28Å; P75-L77 VanDerWaalsContact C-N 3.33Å; P75-L77 PolarHBondContact O-N 2.81Å; P75-R82 VanDerWaalsContact C-NH2 3.32Å; P75-R82 VanDerWaalsContact CA-NH2 3.35Å; P75-R82 PolarHBondContact O-NH2 2.85Å |
| 76 | S | 61.1 | Low | 65 | Low | 90 Ų | 90 | 100.5 Ų | 100.5 | 63% | 0.629 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -13.8 | -178.1 | 64.7 | 0 | 0 | 0 | 0 | 115 | D74 | D74-S76 PolarHBondContact O-N 3.18Å; D74-S76 WeakPolarHBondContact OD1-CB 3.5Å; D74-S76 PolarHBondContact OD1-N 2.94Å; D74-S76 VanDerWaalsContact OD1-N 3.1Å; D74-S76 PolarHBondContact OD1-OG 3.35Å; D74-S76 PolarHBondContact OD2-OG 3.48Å |
| 77 | L | 55.8 | Low | 64.9 | Low | 60 Ų | 60 | 98.4 Ų | 98.4 | 31% | 0.314 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -108.9 | 152.4 | -175.2 | -68.2 | 170.4 | 0 | 0 | 0 | 112.8 | D74 P75 R82 V85 | D74-L77 PolarHBondContact O-N 3.47Å; P75-L77 VanDerWaalsContact C-N 3.33Å; P75-L77 PolarHBondContact O-N 2.81Å; L77-R82 HydrophobicContact CB-CG 3.91Å; L77-R82 WeakPolarHBondContact O-CD 3.39Å; L77-R82 PolarHBondContact O-NE 3.4Å; L77-R82 PolarHBondContact O-NH2 2.85Å; L77-V85 HydrophobicContact CD1-CG2 4.25Å |
| 78 | P | 62.6 | Low | 65.2 | Low | 67 Ų | 67 | 92.9 Ų | 92.9 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | trans | -65.4 | 151.4 | 173.9 | -21.5 | 33.2 | 0 | 0 | 0 | 113.3 | E80 K81 R82 | P78-E80 PolarHBondContact O-N 2.87Å; P78-K81 PolarHBondContact O-N 3.4Å; P78-R82 WeakPolarHBondContact O-CG 3.45Å; P78-R82 PolarHBondContact O-N 3.36Å; P78-R82 VanDerWaalsContact O-N 3.11Å | ||
| 79 | P | 60.4 | Low | 65.7 | Low | 89 Ų | 89 | 89.4 Ų | 89.4 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.3 | -40.9 | -176.1 | 20.6 | -31.8 | 0 | 0 | 0 | 114 | K81 R82 | P79-K81 VanDerWaalsContact C-N 3.27Å; P79-K81 PolarHBondContact O-N 3.16Å; P79-R82 PolarHBondContact O-N 3.43Å |
| 80 | E | 62 | Low | 66.2 | Low | 154 Ų | 154 | 88.7 Ų | 88.7 | 72% | 0.72 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.7 | -32.9 | 175.2 | -89.9 | 94.4 | -177.6 | 0 | 0 | 113.9 | P78 | P78-E80 PolarHBondContact O-N 2.87Å |
| 81 | K | 59.8 | Low | 67.1 | Low | 126 Ų | 126 | 87 Ų | 87 | 55% | 0.548 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -90.9 | -21.2 | -174.8 | -65.1 | -174.5 | -179.8 | 179.7 | 0 | 112.8 | P78 P79 Q84 V85 | P78-K81 PolarHBondContact O-N 3.4Å; P79-K81 VanDerWaalsContact C-N 3.27Å; P79-K81 PolarHBondContact O-N 3.16Å; K81-Q84 PolarHBondContact O-N 2.89Å; K81-V85 VanDerWaalsContact O-CG2 3.3Å; K81-V85 WeakPolarHBondContact O-CG2 3.42Å; K81-V85 PolarHBondContact O-N 3.45Å |
| 82 | R | 62.2 | Low | 68.3 | Low | 53 Ų | 53 | 87.8 Ų | 87.8 | 20% | 0.2 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 178.1 | -77.6 | 166.4 | 168.3 | 173.7 | 30.5 | 112.3 | D72 D74 P75 L77 P78 P79 Q84 V85 N86 | D72-R82 WeakPolarHBondContact O-CD 3.39Å; D72-R82 PolarHBondContact O-NE 3.01Å; D72-R82 PolarHBondContact O-NH1 3.2Å; D74-R82 PolarHBondContact O-NE 2.82Å; P75-R82 VanDerWaalsContact C-NH2 3.32Å; P75-R82 VanDerWaalsContact CA-NH2 3.35Å; P75-R82 PolarHBondContact O-NH2 2.85Å; L77-R82 HydrophobicContact CB-CG 3.91Å; L77-R82 WeakPolarHBondContact O-CD 3.39Å; L77-R82 PolarHBondContact O-NE 3.4Å; L77-R82 PolarHBondContact O-NH2 2.85Å; P78-R82 WeakPolarHBondContact O-CG 3.45Å; P78-R82 PolarHBondContact O-N 3.36Å; P78-R82 VanDerWaalsContact O-N 3.11Å; P79-R82 PolarHBondContact O-N 3.43Å; R82-Q84 VanDerWaalsContact C-N 3.34Å; R82-Q84 PolarHBondContact O-N 2.97Å; R82-V85 PolarHBondContact O-N 2.89Å; R82-N86 VanDerWaalsContact O-CB 3.29Å; R82-N86 WeakPolarHBondContact O-CB 3.45Å; R82-N86 PolarHBondContact O-N 3.42Å |
| 83 | N | 62.1 | Low | 69.6 | Low | 107 Ų | 107 | 87.6 Ų | 87.6 | 57% | 0.572 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.8 | -37.7 | 179.6 | -67.9 | -16.5 | 0 | 0 | 0 | 112 | L87 | N83-L87 VanDerWaalsContact O-CB 3.25Å; N83-L87 WeakPolarHBondContact O-CB 3.28Å; N83-L87 PolarHBondContact O-N 3.45Å |
| 84 | Q | 69.8 | Low | 71 | Confident | 147 Ų | 147 | 88.8 Ų | 88.8 | 69% | 0.687 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.4 | -40.5 | 175.1 | -77.6 | -177.9 | 2.4 | 0 | 0 | 112.8 | K81 R82 G88 | K81-Q84 PolarHBondContact O-N 2.89Å; R82-Q84 VanDerWaalsContact C-N 3.34Å; R82-Q84 PolarHBondContact O-N 2.97Å; Q84-G88 PolarHBondContact O-N 2.92Å |
| 85 | V | 66.6 | Low | 72.7 | Confident | 75 Ų | 75 | 92.4 Ų | 92.4 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.7 | -40 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | L77 K81 R82 G88 Q89 | L77-V85 HydrophobicContact CD1-CG2 4.25Å; K81-V85 VanDerWaalsContact O-CG2 3.3Å; K81-V85 WeakPolarHBondContact O-CG2 3.42Å; K81-V85 PolarHBondContact O-N 3.45Å; R82-V85 PolarHBondContact O-N 2.89Å; V85-G88 PolarHBondContact O-N 2.86Å; V85-Q89 WeakPolarHBondContact O-CB 3.27Å; V85-Q89 PolarHBondContact O-N 2.88Å |
| 86 | N | 74.7 | Confident | 74.4 | Confident | 58 Ų | 58 | 90.9 Ų | 90.9 | 31% | 0.31 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 175.5 | -171.9 | -27 | 0 | 0 | 0 | 111.2 | R82 G88 Q89 L90 | R82-N86 VanDerWaalsContact O-CB 3.29Å; R82-N86 WeakPolarHBondContact O-CB 3.45Å; R82-N86 PolarHBondContact O-N 3.42Å; N86-G88 VanDerWaalsContact C-N 3.31Å; N86-G88 PolarHBondContact O-N 2.79Å; N86-Q89 PolarHBondContact O-N 3.33Å; N86-Q89 VanDerWaalsContact O-N 3.15Å; N86-L90 WeakPolarHBondContact O-CB 3.4Å; N86-L90 PolarHBondContact O-N 3.34Å |
| 87 | L | 78.6 | Confident | 76 | Confident | 98 Ų | 98 | 93 Ų | 93 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | 173.9 | 179.4 | 60.7 | 0 | 0 | 0 | 111.6 | N83 Q89 L90 L91 | N83-L87 VanDerWaalsContact O-CB 3.25Å; N83-L87 WeakPolarHBondContact O-CB 3.28Å; N83-L87 PolarHBondContact O-N 3.45Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 2.91Å; L87-L90 PolarHBondContact O-N 3.29Å; L87-L91 HydrophobicContact CD1-CD1 4.19Å; L87-L91 HydrophobicContact CD1-CG 4.14Å; L87-L91 HydrophobicContact CG-CD1 4.04Å; L87-L91 HydrophobicContact CG-CG 4.43Å; L87-L91 WeakPolarHBondContact O-CB 3.18Å; L87-L91 WeakPolarHBondContact O-CG 3.26Å; L87-L91 PolarHBondContact O-N 3.47Å |
| 88 | G | 82.1 | Confident | 77.9 | Confident | 22 Ų | 22 | 94.1 Ų | 94.1 | 23% | 0.227 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q84 V85 N86 R92 | Q84-G88 PolarHBondContact O-N 2.92Å; V85-G88 PolarHBondContact O-N 2.86Å; N86-G88 VanDerWaalsContact C-N 3.31Å; N86-G88 PolarHBondContact O-N 2.79Å; G88-R92 WeakPolarHBondContact O-CG 3.46Å; G88-R92 PolarHBondContact O-N 2.87Å |
| 89 | Q | 83.8 | Confident | 79.5 | Confident | 79 Ų | 79 | 96.8 Ų | 96.8 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.9 | -45.5 | 175.6 | -171.9 | 59 | 33.4 | 0 | 0 | 111.6 | V85 N86 L87 L91 R92 D93 | V85-Q89 WeakPolarHBondContact O-CB 3.27Å; V85-Q89 PolarHBondContact O-N 2.88Å; N86-Q89 PolarHBondContact O-N 3.33Å; N86-Q89 VanDerWaalsContact O-N 3.15Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 2.91Å; Q89-L91 VanDerWaalsContact C-N 3.3Å; Q89-L91 PolarHBondContact O-N 3.36Å; Q89-R92 WeakPolarHBondContact O-CB 3.47Å; Q89-R92 PolarHBondContact O-N 3.47Å; Q89-R92 VanDerWaalsContact O-N 3.1Å; Q89-D93 PolarHBondContact NE2-OD1 2.84Å; Q89-D93 PolarHBondContact NE2-OD2 3.23Å; Q89-D93 VanDerWaalsContact O-CG 3.28Å; Q89-D93 PolarHBondContact O-N 3.37Å |
| 90 | L | 82.6 | Confident | 81.2 | Confident | 94 Ų | 94 | 97.8 Ų | 97.8 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 177.7 | -174.6 | 64.7 | 0 | 0 | 0 | 112 | N86 L87 S94 | N86-L90 WeakPolarHBondContact O-CB 3.4Å; N86-L90 PolarHBondContact O-N 3.34Å; L87-L90 PolarHBondContact O-N 3.29Å; L90-S94 WeakPolarHBondContact O-CB 3.38Å; L90-S94 PolarHBondContact O-N 2.99Å |
| 91 | L | 84.8 | Confident | 82.9 | Confident | 85 Ų | 85 | 95.2 Ų | 95.2 | 45% | 0.445 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 174.3 | -71.6 | 173.8 | 0 | 0 | 0 | 111.9 | L87 Q89 R95 | L87-L91 HydrophobicContact CD1-CD1 4.19Å; L87-L91 HydrophobicContact CD1-CG 4.14Å; L87-L91 HydrophobicContact CG-CD1 4.04Å; L87-L91 HydrophobicContact CG-CG 4.43Å; L87-L91 WeakPolarHBondContact O-CB 3.18Å; L87-L91 WeakPolarHBondContact O-CG 3.26Å; L87-L91 PolarHBondContact O-N 3.47Å; Q89-L91 VanDerWaalsContact C-N 3.3Å; Q89-L91 PolarHBondContact O-N 3.36Å; L91-R95 WeakPolarHBondContact O-CB 3.33Å; L91-R95 VanDerWaalsContact O-CG 3.24Å; L91-R95 WeakPolarHBondContact O-CG 3.48Å; L91-R95 PolarHBondContact O-N 2.77Å |
| 92 | R | 87.6 | Confident | 84.6 | Confident | 134 Ų | 134 | 92.2 Ų | 92.2 | 51% | 0.506 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 173.4 | -77.6 | -172 | -66.6 | -105 | 3.2 | 111.5 | G88 Q89 S94 R95 E96 | G88-R92 WeakPolarHBondContact O-CG 3.46Å; G88-R92 PolarHBondContact O-N 2.87Å; Q89-R92 WeakPolarHBondContact O-CB 3.47Å; Q89-R92 PolarHBondContact O-N 3.47Å; Q89-R92 VanDerWaalsContact O-N 3.1Å; R92-S94 VanDerWaalsContact C-N 3.32Å; R92-S94 PolarHBondContact O-N 3.32Å; R92-R95 PolarHBondContact O-N 2.88Å; R92-E96 WeakPolarHBondContact O-CB 3.48Å; R92-E96 PolarHBondContact O-N 3.29Å |
| 93 | D | 88.9 | Confident | 86.3 | Confident | 71 Ų | 71 | 95 Ų | 95 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | 179.9 | -66.5 | -16.8 | 0 | 0 | 0 | 111.6 | Q89 E96 R97 | Q89-D93 PolarHBondContact NE2-OD1 2.84Å; Q89-D93 PolarHBondContact NE2-OD2 3.23Å; Q89-D93 VanDerWaalsContact O-CG 3.28Å; Q89-D93 PolarHBondContact O-N 3.37Å; D93-E96 PolarHBondContact O-N 2.93Å; D93-R97 WeakPolarHBondContact O-CB 3.5Å; D93-R97 VanDerWaalsContact O-CG 3.31Å; D93-R97 WeakPolarHBondContact O-CG 3.43Å; D93-R97 PolarHBondContact O-N 3.41Å; D93-R97 PolarHBondContact O-NE 2.96Å |
| 94 | S | 89.2 | Confident | 88 | Confident | 47 Ų | 47 | 95 Ų | 95 | 33% | 0.329 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 171.6 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | L90 R92 E96 R97 V98 | L90-S94 WeakPolarHBondContact O-CB 3.38Å; L90-S94 PolarHBondContact O-N 2.99Å; R92-S94 VanDerWaalsContact C-N 3.32Å; R92-S94 PolarHBondContact O-N 3.32Å; S94-E96 VanDerWaalsContact C-N 3.33Å; S94-E96 PolarHBondContact O-N 2.66Å; S94-R97 PolarHBondContact O-N 2.97Å; S94-V98 WeakPolarHBondContact O-CG2 3.48Å; S94-V98 PolarHBondContact O-N 3.49Å |
| 95 | R | 93.3 | Very high | 89.3 | Confident | 175 Ų | 175 | 91.8 Ų | 91.8 | 66% | 0.66 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.7 | -36.7 | 176.5 | -71.5 | 172.3 | -177 | -171.9 | 2 | 112.6 | L91 R92 R99 | L91-R95 WeakPolarHBondContact O-CB 3.33Å; L91-R95 VanDerWaalsContact O-CG 3.24Å; L91-R95 WeakPolarHBondContact O-CG 3.48Å; L91-R95 PolarHBondContact O-N 2.77Å; R92-R95 PolarHBondContact O-N 2.88Å; R95-R99 PolarHBondContact O-N 3.4Å |
| 96 | E | 95.2 | Very high | 90.8 | Very high | 77 Ų | 77 | 94.7 Ų | 94.7 | 36% | 0.36 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 175 | -165.6 | 72.4 | -134.1 | 0 | 0 | 111.2 | R92 D93 S94 V98 R99 K100 | R92-E96 WeakPolarHBondContact O-CB 3.48Å; R92-E96 PolarHBondContact O-N 3.29Å; D93-E96 PolarHBondContact O-N 2.93Å; S94-E96 VanDerWaalsContact C-N 3.33Å; S94-E96 PolarHBondContact O-N 2.66Å; E96-V98 VanDerWaalsContact C-N 3.34Å; E96-V98 PolarHBondContact O-N 3.32Å; E96-R99 PolarHBondContact O-N 2.98Å; E96-R99 IonicContact OE1-CZ 3.65Å; E96-R99 IonicContact OE1-NH1 2.77Å; E96-R99 PolarHBondContact OE1-NH1 2.93Å; E96-R99 IonicContact OE1-NH2 3.11Å; E96-R99 IonicContact OE2-CZ 2.84Å; E96-R99 VanDerWaalsContact OE2-CZ 3.22Å; E96-R99 IonicContact OE2-NH1 3.85Å; E96-R99 PolarHBondContact OE2-NH1 3.22Å; E96-R99 IonicContact OE2-NH2 3.22Å; E96-R99 PolarHBondContact OE2-NH2 3.03Å; E96-K100 WeakPolarHBondContact O-CG 3.23Å; E96-K100 PolarHBondContact O-N 2.67Å |
| 97 | R | 94.6 | Very high | 91.9 | Very high | 134 Ų | 134 | 96.6 Ų | 96.6 | 51% | 0.506 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 174.9 | -77.3 | -179 | -74.7 | 121 | -8.9 | 111.9 | D93 S94 R99 K100 L101 | D93-R97 WeakPolarHBondContact O-CB 3.5Å; D93-R97 VanDerWaalsContact O-CG 3.31Å; D93-R97 WeakPolarHBondContact O-CG 3.43Å; D93-R97 PolarHBondContact O-N 3.41Å; D93-R97 PolarHBondContact O-NE 2.96Å; S94-R97 PolarHBondContact O-N 2.97Å; R97-R99 VanDerWaalsContact C-N 3.34Å; R97-R99 PolarHBondContact O-N 3.32Å; R97-K100 PolarHBondContact O-N 2.85Å; R97-L101 WeakPolarHBondContact O-CB 3.4Å; R97-L101 WeakPolarHBondContact O-CG 3.48Å; R97-L101 PolarHBondContact O-N 2.8Å |
| 98 | V | 94.9 | Very high | 92.8 | Very high | 85 Ų | 85 | 97.2 Ų | 97.2 | 52% | 0.515 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -42 | 175 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | S94 E96 T102 | S94-V98 WeakPolarHBondContact O-CG2 3.48Å; S94-V98 PolarHBondContact O-N 3.49Å; E96-V98 VanDerWaalsContact C-N 3.34Å; E96-V98 PolarHBondContact O-N 3.32Å; V98-T102 WeakPolarHBondContact O-CB 3.48Å; V98-T102 PolarHBondContact O-N 2.93Å; V98-T102 PolarHBondContact O-OG1 2.93Å |
| 99 | R | 96.8 | Very high | 93.5 | Very high | 123 Ų | 123 | 100.7 Ų | 100.7 | 46% | 0.464 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 174.8 | -91.8 | -175.1 | -77.3 | 120.6 | 0.6 | 112.3 | R95 E96 R97 L101 T102 E103 | R95-R99 PolarHBondContact O-N 3.4Å; E96-R99 PolarHBondContact O-N 2.98Å; E96-R99 IonicContact OE1-CZ 3.65Å; E96-R99 IonicContact OE1-NH1 2.77Å; E96-R99 PolarHBondContact OE1-NH1 2.93Å; E96-R99 IonicContact OE1-NH2 3.11Å; E96-R99 IonicContact OE2-CZ 2.84Å; E96-R99 VanDerWaalsContact OE2-CZ 3.22Å; E96-R99 IonicContact OE2-NH1 3.85Å; E96-R99 PolarHBondContact OE2-NH1 3.22Å; E96-R99 IonicContact OE2-NH2 3.22Å; E96-R99 PolarHBondContact OE2-NH2 3.03Å; R97-R99 VanDerWaalsContact C-N 3.34Å; R97-R99 PolarHBondContact O-N 3.32Å; R99-L101 PolarHBondContact O-N 3.28Å; R99-T102 WeakPolarHBondContact O-CB 3.28Å; R99-T102 PolarHBondContact O-N 3.5Å; R99-T102 VanDerWaalsContact O-N 3.11Å; R99-E103 WeakPolarHBondContact O-CG 3.44Å; R99-E103 PolarHBondContact O-N 3.06Å |
| 100 | K | 96.8 | Very high | 94.2 | Very high | 110 Ų | 110 | 102.2 Ų | 102.2 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 178 | -70.5 | 178.4 | -179.6 | -179.3 | 0 | 112.4 | E96 R97 T102 E103 E104 | E96-K100 WeakPolarHBondContact O-CG 3.23Å; E96-K100 PolarHBondContact O-N 2.67Å; R97-K100 PolarHBondContact O-N 2.85Å; K100-T102 VanDerWaalsContact C-N 3.26Å; K100-T102 PolarHBondContact O-N 3.11Å; K100-E103 WeakPolarHBondContact O-CB 3.49Å; K100-E103 PolarHBondContact O-N 3.39Å; K100-E103 VanDerWaalsContact O-N 3.13Å; K100-E104 WeakPolarHBondContact O-CG 3.44Å; K100-E104 PolarHBondContact O-N 3.08Å |
| 101 | L | 95.9 | Very high | 94.9 | Very high | 99 Ų | 99 | 105.7 Ų | 105.7 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -36.8 | 175.6 | -72.9 | 170.7 | 0 | 0 | 0 | 111.9 | R97 R99 E104 V105 | R97-L101 WeakPolarHBondContact O-CB 3.4Å; R97-L101 WeakPolarHBondContact O-CG 3.48Å; R97-L101 PolarHBondContact O-N 2.8Å; R99-L101 PolarHBondContact O-N 3.28Å; L101-E104 PolarHBondContact O-N 3.49Å; L101-V105 WeakPolarHBondContact O-CB 3.49Å; L101-V105 VanDerWaalsContact O-CG2 3.23Å; L101-V105 WeakPolarHBondContact O-CG2 3.43Å; L101-V105 PolarHBondContact O-N 2.81Å |
| 102 | T | 97.2 | Very high | 95.5 | Very high | 64 Ų | 64 | 106 Ų | 106 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 176 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | V98 R99 K100 K106 | V98-T102 WeakPolarHBondContact O-CB 3.48Å; V98-T102 PolarHBondContact O-N 2.93Å; V98-T102 PolarHBondContact O-OG1 2.93Å; R99-T102 WeakPolarHBondContact O-CB 3.28Å; R99-T102 PolarHBondContact O-N 3.5Å; R99-T102 VanDerWaalsContact O-N 3.11Å; K100-T102 VanDerWaalsContact C-N 3.26Å; K100-T102 PolarHBondContact O-N 3.11Å; T102-K106 VanDerWaalsContact O-CG 3.31Å; T102-K106 WeakPolarHBondContact O-CG 3.42Å; T102-K106 PolarHBondContact O-N 2.94Å; T102-K106 VanDerWaalsContact O-N 3.09Å |
| 103 | E | 97.3 | Very high | 95.9 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 173.8 | -71.2 | 167.3 | -175.1 | 0 | 0 | 111.2 | R99 K100 V105 K106 D107 | R99-E103 WeakPolarHBondContact O-CG 3.44Å; R99-E103 PolarHBondContact O-N 3.06Å; K100-E103 WeakPolarHBondContact O-CB 3.49Å; K100-E103 PolarHBondContact O-N 3.39Å; K100-E103 VanDerWaalsContact O-N 3.13Å; E103-V105 VanDerWaalsContact C-N 3.33Å; E103-V105 PolarHBondContact O-N 3.02Å; E103-K106 WeakPolarHBondContact O-CB 3.42Å; E103-K106 PolarHBondContact O-N 3.16Å; E103-K106 VanDerWaalsContact O-N 3.07Å; E103-D107 PolarHBondContact O-N 3.31Å |
| 104 | E | 97.6 | Very high | 96.3 | Very high | 106 Ų | 106 | 103.8 Ų | 103.8 | 50% | 0.495 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 175.4 | -72.3 | 172.8 | -158.1 | 0 | 0 | 112.1 | K100 L101 K106 D107 L108 | K100-E104 WeakPolarHBondContact O-CG 3.44Å; K100-E104 PolarHBondContact O-N 3.08Å; L101-E104 PolarHBondContact O-N 3.49Å; E104-K106 VanDerWaalsContact C-N 3.32Å; E104-K106 PolarHBondContact O-N 2.91Å; E104-D107 PolarHBondContact O-N 3.23Å; E104-L108 WeakPolarHBondContact O-CB 3.29Å; E104-L108 VanDerWaalsContact O-CG 3.24Å; E104-L108 WeakPolarHBondContact O-CG 3.33Å; E104-L108 PolarHBondContact O-N 3.33Å |
| 105 | V | 97.6 | Very high | 96.7 | Very high | 80 Ų | 80 | 104.1 Ų | 104.1 | 49% | 0.485 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 174.9 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | L101 E103 N109 | L101-V105 WeakPolarHBondContact O-CB 3.49Å; L101-V105 VanDerWaalsContact O-CG2 3.23Å; L101-V105 WeakPolarHBondContact O-CG2 3.43Å; L101-V105 PolarHBondContact O-N 2.81Å; E103-V105 VanDerWaalsContact C-N 3.33Å; E103-V105 PolarHBondContact O-N 3.02Å; V105-N109 WeakPolarHBondContact O-CB 3.36Å; V105-N109 VanDerWaalsContact O-CG 3.25Å; V105-N109 PolarHBondContact O-N 3.04Å; V105-N109 PolarHBondContact O-ND2 3.13Å |
| 106 | K | 98 | Very high | 96.8 | Very high | 136 Ų | 136 | 101.5 Ų | 101.5 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 174.8 | -73.3 | 170.7 | -178.9 | 177.5 | 0 | 111.4 | T102 E103 E104 N109 Q110 | T102-K106 VanDerWaalsContact O-CG 3.31Å; T102-K106 WeakPolarHBondContact O-CG 3.42Å; T102-K106 PolarHBondContact O-N 2.94Å; T102-K106 VanDerWaalsContact O-N 3.09Å; E103-K106 WeakPolarHBondContact O-CB 3.42Å; E103-K106 PolarHBondContact O-N 3.16Å; E103-K106 VanDerWaalsContact O-N 3.07Å; E104-K106 VanDerWaalsContact C-N 3.32Å; E104-K106 PolarHBondContact O-N 2.91Å; K106-N109 PolarHBondContact O-N 2.98Å; K106-Q110 WeakPolarHBondContact O-CB 3.31Å; K106-Q110 PolarHBondContact O-N 3.36Å |
| 107 | D | 97.6 | Very high | 96.9 | Very high | 98 Ų | 98 | 99.6 Ų | 99.6 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.9 | -78.5 | 2.4 | 0 | 0 | 0 | 111.8 | E103 E104 Q110 R111 | E103-D107 PolarHBondContact O-N 3.31Å; E104-D107 PolarHBondContact O-N 3.23Å; D107-Q110 PolarHBondContact O-N 2.91Å; D107-R111 WeakPolarHBondContact O-CG 3.41Å; D107-R111 PolarHBondContact O-N 2.97Å |
| 108 | L | 97.6 | Very high | 97 | Very high | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 175.9 | -72.8 | 174.4 | 0 | 0 | 0 | 111.7 | E104 Q110 R111 L112 | E104-L108 WeakPolarHBondContact O-CB 3.29Å; E104-L108 VanDerWaalsContact O-CG 3.24Å; E104-L108 WeakPolarHBondContact O-CG 3.33Å; E104-L108 PolarHBondContact O-N 3.33Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 2.97Å; L108-R111 PolarHBondContact O-N 2.84Å; L108-L112 WeakPolarHBondContact O-CB 3.4Å; L108-L112 PolarHBondContact O-N 3.4Å |
| 109 | N | 97.1 | Very high | 97 | Very high | 96 Ų | 96 | 97.4 Ų | 97.4 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 174.9 | -79 | -38.3 | 0 | 0 | 0 | 111.9 | V105 K106 L112 A113 | V105-N109 WeakPolarHBondContact O-CB 3.36Å; V105-N109 VanDerWaalsContact O-CG 3.25Å; V105-N109 PolarHBondContact O-N 3.04Å; V105-N109 PolarHBondContact O-ND2 3.13Å; K106-N109 PolarHBondContact O-N 2.98Å; N109-L112 PolarHBondContact O-N 3.22Å; N109-A113 WeakPolarHBondContact O-CB 3.48Å; N109-A113 PolarHBondContact O-N 2.83Å |
| 110 | Q | 97.8 | Very high | 96.9 | Very high | 110 Ų | 110 | 99.2 Ų | 99.2 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 175.2 | -179.2 | 60.2 | 32.7 | 0 | 0 | 111.1 | K106 D107 L108 L112 A113 E114 | K106-Q110 WeakPolarHBondContact O-CB 3.31Å; K106-Q110 PolarHBondContact O-N 3.36Å; D107-Q110 PolarHBondContact O-N 2.91Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 2.97Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 3.39Å; Q110-A113 PolarHBondContact O-N 3.49Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.49Å; Q110-E114 PolarHBondContact NE2-OE1 3.47Å; Q110-E114 WeakPolarHBondContact O-CG 3.4Å; Q110-E114 PolarHBondContact O-N 3.21Å |
| 111 | R | 97.5 | Very high | 96.8 | Very high | 168 Ų | 168 | 98.4 Ų | 98.4 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -36.8 | 176.1 | -71.7 | 177.4 | -173.2 | -155.5 | 3.5 | 112.7 | D107 L108 A115 | D107-R111 WeakPolarHBondContact O-CG 3.41Å; D107-R111 PolarHBondContact O-N 2.97Å; L108-R111 PolarHBondContact O-N 2.84Å; R111-A115 VanDerWaalsContact O-CB 3.31Å; R111-A115 WeakPolarHBondContact O-CB 3.38Å; R111-A115 PolarHBondContact O-N 3.08Å |
| 112 | L | 97.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 98.5 Ų | 98.5 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 175.1 | -179.6 | 65.2 | 0 | 0 | 0 | 110.9 | L108 N109 Q110 A115 Q116 | L108-L112 WeakPolarHBondContact O-CB 3.4Å; L108-L112 PolarHBondContact O-N 3.4Å; N109-L112 PolarHBondContact O-N 3.22Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 3.39Å; L112-A115 PolarHBondContact O-N 2.91Å; L112-Q116 HydrophobicContact CD1-CG 4.4Å; L112-Q116 WeakPolarHBondContact O-CB 3.34Å; L112-Q116 VanDerWaalsContact O-CG 3.24Å; L112-Q116 WeakPolarHBondContact O-CG 3.41Å; L112-Q116 PolarHBondContact O-N 3.29Å |
| 113 | A | 96.8 | Very high | 96.4 | Very high | 55 Ų | 55 | 103.5 Ų | 103.5 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N109 Q110 Q116 G117 | N109-A113 WeakPolarHBondContact O-CB 3.48Å; N109-A113 PolarHBondContact O-N 2.83Å; Q110-A113 PolarHBondContact O-N 3.49Å; A113-Q116 PolarHBondContact O-N 3.44Å; A113-G117 PolarHBondContact O-N 2.79Å |
| 114 | E | 97.3 | Very high | 95.8 | Very high | 102 Ų | 102 | 102.8 Ų | 102.8 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -51.3 | 174 | -72.9 | 168.2 | -169.5 | 0 | 0 | 111.3 | Q110 Q116 G117 D118 | Q110-E114 WeakPolarHBondContact CG-OE1 3.49Å; Q110-E114 PolarHBondContact NE2-OE1 3.47Å; Q110-E114 WeakPolarHBondContact O-CG 3.4Å; Q110-E114 PolarHBondContact O-N 3.21Å; E114-Q116 VanDerWaalsContact C-N 3.31Å; E114-Q116 PolarHBondContact O-N 3.39Å; E114-G117 WeakPolarHBondContact O-CA 3.37Å; E114-G117 PolarHBondContact O-N 2.96Å; E114-G117 VanDerWaalsContact O-N 3.07Å; E114-D118 PolarHBondContact O-N 3.11Å |
| 115 | A | 96.5 | Very high | 95.2 | Very high | 55 Ų | 55 | 100 Ų | 100 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R111 L112 N119 | R111-A115 VanDerWaalsContact O-CB 3.31Å; R111-A115 WeakPolarHBondContact O-CB 3.38Å; R111-A115 PolarHBondContact O-N 3.08Å; L112-A115 PolarHBondContact O-N 2.91Å; A115-N119 VanDerWaalsContact O-CB 3.3Å; A115-N119 WeakPolarHBondContact O-CB 3.3Å; A115-N119 PolarHBondContact O-N 3.13Å |
| 116 | Q | 96 | Very high | 94.4 | Very high | 119 Ų | 119 | 99.4 Ų | 99.4 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 173.1 | -75.9 | 176.4 | -9 | 0 | 0 | 111.7 | L112 A113 E114 N119 K120 | L112-Q116 HydrophobicContact CD1-CG 4.4Å; L112-Q116 WeakPolarHBondContact O-CB 3.34Å; L112-Q116 VanDerWaalsContact O-CG 3.24Å; L112-Q116 WeakPolarHBondContact O-CG 3.41Å; L112-Q116 PolarHBondContact O-N 3.29Å; A113-Q116 PolarHBondContact O-N 3.44Å; E114-Q116 VanDerWaalsContact C-N 3.31Å; E114-Q116 PolarHBondContact O-N 3.39Å; Q116-N119 PolarHBondContact O-N 3.06Å; Q116-K120 WeakPolarHBondContact O-CB 2.85Å; Q116-K120 PolarHBondContact O-N 3.48Å |
| 117 | G | 96.7 | Very high | 93.4 | Very high | 38 Ų | 38 | 96.5 Ų | 96.5 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A113 E114 N119 K120 L121 | A113-G117 PolarHBondContact O-N 2.79Å; E114-G117 WeakPolarHBondContact O-CA 3.37Å; E114-G117 PolarHBondContact O-N 2.96Å; E114-G117 VanDerWaalsContact O-N 3.07Å; G117-N119 PolarHBondContact O-N 2.88Å; G117-K120 WeakPolarHBondContact O-CB 3.31Å; G117-K120 PolarHBondContact O-N 3.38Å; G117-L121 PolarHBondContact O-N 2.89Å |
| 118 | D | 96.5 | Very high | 92.4 | Very high | 99 Ų | 99 | 99.8 Ų | 99.8 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.3 | -72.3 | -18.4 | 0 | 0 | 0 | 111.3 | E114 K120 L121 L122 | E114-D118 PolarHBondContact O-N 3.11Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.21Å; D118-L121 PolarHBondContact O-N 2.87Å; D118-L122 WeakPolarHBondContact O-CB 3.48Å; D118-L122 VanDerWaalsContact O-CG 3.32Å; D118-L122 WeakPolarHBondContact O-CG 3.32Å; D118-L122 PolarHBondContact O-N 3.1Å |
| 119 | N | 94.6 | Very high | 91.2 | Very high | 73 Ų | 73 | 101.4 Ų | 101.4 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 177.4 | -160.9 | -94.3 | 0 | 0 | 0 | 111.6 | A115 Q116 G117 L122 R123 | A115-N119 VanDerWaalsContact O-CB 3.3Å; A115-N119 WeakPolarHBondContact O-CB 3.3Å; A115-N119 PolarHBondContact O-N 3.13Å; Q116-N119 PolarHBondContact O-N 3.06Å; G117-N119 PolarHBondContact O-N 2.88Å; N119-L122 PolarHBondContact O-N 3.3Å; N119-R123 WeakPolarHBondContact O-CB 3.33Å; N119-R123 VanDerWaalsContact O-CG 3.26Å; N119-R123 WeakPolarHBondContact O-CG 3.47Å; N119-R123 PolarHBondContact O-N 3.01Å; N119-R123 PolarHBondContact OD1-NE 3.48Å; N119-R123 PolarHBondContact OD1-NH2 2.96Å |
| 120 | K | 95.7 | Very high | 89.6 | Confident | 162 Ų | 162 | 106.2 Ų | 106.2 | 70% | 0.704 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 174 | -174.8 | 179.2 | 179.5 | -179.4 | 0 | 111.3 | Q116 G117 D118 R123 M124 | Q116-K120 WeakPolarHBondContact O-CB 2.85Å; Q116-K120 PolarHBondContact O-N 3.48Å; G117-K120 WeakPolarHBondContact O-CB 3.31Å; G117-K120 PolarHBondContact O-N 3.38Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.21Å; K120-R123 PolarHBondContact O-N 3.22Å; K120-M124 WeakPolarHBondContact O-CB 3.32Å; K120-M124 PolarHBondContact O-N 3.42Å |
| 121 | L | 94.6 | Very high | 87.7 | Confident | 92 Ų | 92 | 107 Ų | 107 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 177.2 | -176.9 | 62.8 | 0 | 0 | 0 | 111.9 | G117 D118 M124 T125 | G117-L121 PolarHBondContact O-N 2.89Å; D118-L121 PolarHBondContact O-N 2.87Å; L121-M124 HydrophobicContact CD1-CE 3.62Å; L121-M124 PolarHBondContact O-N 3.42Å; L121-T125 VanDerWaalsContact O-CB 3.32Å; L121-T125 WeakPolarHBondContact O-CB 3.45Å; L121-T125 PolarHBondContact O-N 3.38Å; L121-T125 PolarHBondContact O-OG1 2.88Å |
| 122 | L | 94 | Very high | 85.5 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 175.5 | -74.6 | 173.1 | 0 | 0 | 0 | 110.9 | D118 N119 M124 T125 I126 | D118-L122 WeakPolarHBondContact O-CB 3.48Å; D118-L122 VanDerWaalsContact O-CG 3.32Å; D118-L122 WeakPolarHBondContact O-CG 3.32Å; D118-L122 PolarHBondContact O-N 3.1Å; N119-L122 PolarHBondContact O-N 3.3Å; L122-M124 PolarHBondContact O-N 2.93Å; L122-T125 PolarHBondContact O-N 3.29Å; L122-I126 VanDerWaalsContact O-CB 3.3Å; L122-I126 WeakPolarHBondContact O-CB 3.36Å; L122-I126 WeakPolarHBondContact O-CG1 3.39Å; L122-I126 PolarHBondContact O-N 2.95Å |
| 123 | R | 89.8 | Confident | 83.3 | Confident | 168 Ų | 168 | 103.5 Ų | 103.5 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.2 | -45.9 | 173.6 | -74.7 | 177.6 | -170.8 | -105.3 | 0.8 | 111.2 | N119 K120 T125 I126 T127 | N119-R123 WeakPolarHBondContact O-CB 3.33Å; N119-R123 VanDerWaalsContact O-CG 3.26Å; N119-R123 WeakPolarHBondContact O-CG 3.47Å; N119-R123 PolarHBondContact O-N 3.01Å; N119-R123 PolarHBondContact OD1-NE 3.48Å; N119-R123 PolarHBondContact OD1-NH2 2.96Å; K120-R123 PolarHBondContact O-N 3.22Å; R123-T125 VanDerWaalsContact C-N 3.33Å; R123-T125 PolarHBondContact O-N 3.33Å; R123-I126 PolarHBondContact O-N 2.8Å; R123-T127 VanDerWaalsContact O-CB 3.31Å; R123-T127 WeakPolarHBondContact O-CB 3.31Å; R123-T127 PolarHBondContact O-N 2.86Å; R123-T127 PolarHBondContact O-OG1 3.47Å |
| 124 | M | 85.2 | Confident | 81.3 | Confident | 96 Ų | 96 | 110.1 Ų | 110.1 | 47% | 0.473 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 176.7 | -174.1 | 175.8 | 65.6 | 0 | 0 | 111.9 | K120 L121 L122 T127 R128 | K120-M124 WeakPolarHBondContact O-CB 3.32Å; K120-M124 PolarHBondContact O-N 3.42Å; L121-M124 HydrophobicContact CD1-CE 3.62Å; L121-M124 PolarHBondContact O-N 3.42Å; L122-M124 PolarHBondContact O-N 2.93Å; M124-T127 PolarHBondContact O-N 3.5Å; M124-R128 VanDerWaalsContact O-CB 3.3Å; M124-R128 WeakPolarHBondContact O-CB 3.27Å; M124-R128 PolarHBondContact O-N 3.35Å |
| 125 | T | 84.3 | Confident | 79.1 | Confident | 48 Ų | 48 | 114.1 Ų | 114.1 | 29% | 0.294 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.9 | -44.4 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | L121 L122 R123 R128 Q129 | L121-T125 VanDerWaalsContact O-CB 3.32Å; L121-T125 WeakPolarHBondContact O-CB 3.45Å; L121-T125 PolarHBondContact O-N 3.38Å; L121-T125 PolarHBondContact O-OG1 2.88Å; L122-T125 PolarHBondContact O-N 3.29Å; R123-T125 VanDerWaalsContact C-N 3.33Å; R123-T125 PolarHBondContact O-N 3.33Å; T125-R128 PolarHBondContact O-N 2.96Å; T125-Q129 HydrophobicContact CG2-CG 4.41Å; T125-Q129 WeakPolarHBondContact O-CB 3.28Å; T125-Q129 VanDerWaalsContact O-CG 3.25Å; T125-Q129 WeakPolarHBondContact O-CG 3.49Å; T125-Q129 PolarHBondContact O-N 2.93Å |
| 126 | I | 80.9 | Confident | 77 | Confident | 68 Ų | 68 | 117.7 Ų | 117.7 | 35% | 0.349 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.1 | -45.5 | 174.6 | -71.6 | 167.4 | 0 | 0 | 0 | 109.7 | L122 R123 R128 Q129 R130 | L122-I126 VanDerWaalsContact O-CB 3.3Å; L122-I126 WeakPolarHBondContact O-CB 3.36Å; L122-I126 WeakPolarHBondContact O-CG1 3.39Å; L122-I126 PolarHBondContact O-N 2.95Å; R123-I126 PolarHBondContact O-N 2.8Å; I126-R128 PolarHBondContact O-N 3.35Å; I126-Q129 CarbonylContact O-C 3.59Å; I126-Q129 PolarHBondContact O-N 3.23Å; I126-R130 HydrophobicContact CG2-CG 4.06Å; I126-R130 WeakPolarHBondContact O-CB 3.49Å; I126-R130 WeakPolarHBondContact O-CG 3.12Å; I126-R130 PolarHBondContact O-N 3.43Å |
| 127 | T | 77.6 | Confident | 75.1 | Confident | 74 Ų | 74 | 114.6 Ų | 114.6 | 45% | 0.454 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.3 | -43.1 | 175.7 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | R123 M124 R130 L131 | R123-T127 VanDerWaalsContact O-CB 3.31Å; R123-T127 WeakPolarHBondContact O-CB 3.31Å; R123-T127 PolarHBondContact O-N 2.86Å; R123-T127 PolarHBondContact O-OG1 3.47Å; M124-T127 PolarHBondContact O-N 3.5Å; T127-R130 PolarHBondContact O-N 3.02Å; T127-L131 HydrophobicContact CG2-CD1 3.49Å; T127-L131 VanDerWaalsContact CG2-CD1 3.49Å; T127-L131 HydrophobicContact CG2-CG 4.15Å; T127-L131 VanDerWaalsContact O-CB 3.26Å; T127-L131 WeakPolarHBondContact O-CB 3.45Å; T127-L131 VanDerWaalsContact O-CG 3.29Å; T127-L131 WeakPolarHBondContact O-CG 3.42Å; T127-L131 PolarHBondContact O-N 3.31Å |
| 128 | R | 76.3 | Confident | 72.9 | Confident | 167 Ų | 167 | 118.5 Ų | 118.5 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.9 | -41.5 | 174.8 | -169.8 | -174.1 | -59.8 | -173.8 | 0.4 | 112.4 | M124 T125 I126 G132 | M124-R128 VanDerWaalsContact O-CB 3.3Å; M124-R128 WeakPolarHBondContact O-CB 3.27Å; M124-R128 PolarHBondContact O-N 3.35Å; T125-R128 PolarHBondContact O-N 2.96Å; I126-R128 PolarHBondContact O-N 3.35Å; R128-G132 PolarHBondContact O-N 3.36Å |
| 129 | Q | 72.8 | Confident | 71.1 | Confident | 146 Ų | 146 | 124.8 Ų | 124.8 | 68% | 0.682 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.6 | -29.1 | 176.7 | -72.8 | 175.3 | 1.3 | 0 | 0 | 112.9 | T125 I126 | T125-Q129 HydrophobicContact CG2-CG 4.41Å; T125-Q129 WeakPolarHBondContact O-CB 3.28Å; T125-Q129 VanDerWaalsContact O-CG 3.25Å; T125-Q129 WeakPolarHBondContact O-CG 3.49Å; T125-Q129 PolarHBondContact O-N 2.93Å; I126-Q129 CarbonylContact O-C 3.59Å; I126-Q129 PolarHBondContact O-N 3.23Å |
| 130 | R | 63.4 | Low | 69.4 | Low | 197 Ų | 197 | 128.3 Ų | 128.3 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.4 | -37.7 | 177.1 | -76.8 | 178.1 | -178 | -174.7 | 3.2 | 112.5 | I126 T127 G132 | I126-R130 HydrophobicContact CG2-CG 4.06Å; I126-R130 WeakPolarHBondContact O-CB 3.49Å; I126-R130 WeakPolarHBondContact O-CG 3.12Å; I126-R130 PolarHBondContact O-N 3.43Å; T127-R130 PolarHBondContact O-N 3.02Å; R130-G132 VanDerWaalsContact C-N 3.33Å |
| 131 | L | 57.7 | Low | 67.5 | Low | 125 Ų | 125 | 126.6 Ų | 126.6 | 65% | 0.654 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -78.5 | -21 | 175.9 | -69.4 | 172 | 0 | 0 | 0 | 112 | T127 | T127-L131 HydrophobicContact CG2-CD1 3.49Å; T127-L131 VanDerWaalsContact CG2-CD1 3.49Å; T127-L131 HydrophobicContact CG2-CG 4.15Å; T127-L131 VanDerWaalsContact O-CB 3.26Å; T127-L131 WeakPolarHBondContact O-CB 3.45Å; T127-L131 VanDerWaalsContact O-CG 3.29Å; T127-L131 WeakPolarHBondContact O-CG 3.42Å; T127-L131 PolarHBondContact O-N 3.31Å |
| 132 | G | 51.2 | Low | 66.5 | Low | 29 Ų | 29 | 124.6 Ų | 124.6 | 30% | 0.299 | 61% | 0.613 | S | S | . | * | trans | 67.1 | 164.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R128 R130 | R128-G132 PolarHBondContact O-N 3.36Å; R130-G132 VanDerWaalsContact C-N 3.33Å | ||
| 133 | D | 52.4 | Low | 65.5 | Low | 159 Ų | 159 | 122.4 Ų | 122.4 | 85% | 0.85 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -53.5 | 136.6 | 140.9 | -128.5 | -13.5 | 0 | 0 | 0 | 105.5 | E135 V136 | D133-E135 PolarHBondContact O-N 2.93Å; D133-V136 PolarHBondContact O-N 3.46Å |
| 134 | E | 54.1 | Low | 65 | Low | 194 Ų | 194 | 119.6 Ų | 119.6 | 91% | 0.907 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.9 | -1.3 | -167.5 | -81 | -106.1 | 145.7 | 0 | 0 | 117.4 | ||
| 135 | E | 50.1 | Low | 64.9 | Low | 185 Ų | 185 | 119.8 Ų | 119.8 | 86% | 0.864 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -8.7 | -174 | -67.5 | -165.1 | 152.2 | 0 | 0 | 117.2 | D133 | D133-E135 PolarHBondContact O-N 2.93Š|
| 136 | V | 53.4 | Low | 64.8 | Low | 131 Ų | 131 | 123 Ų | 123 | 79% | 0.794 | 61% | 0.61 | S | S | * | * | trans | -139.8 | 56.7 | -179.2 | -161.7 | 0 | 0 | 0 | 0 | 113.2 | D133 V138 | D133-V136 PolarHBondContact O-N 3.46Å; V136-V138 PolarHBondContact O-N 3.32Å | ||
| 137 | G | 55.3 | Low | 65 | Low | 53 Ų | 53 | 125.9 Ų | 125.9 | 55% | 0.546 | 62% | 0.622 | S | S | . | * | trans | -95.8 | 67.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 138 | V | 51.4 | Low | 65.7 | Low | 121 Ų | 121 | 126.8 Ų | 126.8 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | trans | -149.3 | 92.6 | 158.1 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | V136 H140 | V136-V138 PolarHBondContact O-N 3.32Å; V138-H140 HydrophobicContact CG1-CB 4.48Å | ||
| 139 | R | 59.4 | Low | 66.4 | Low | 230 Ų | 230 | 123.5 Ų | 123.5 | 87% | 0.868 | 62% | 0.618 | S | S | * | * | trans | -90.6 | 100.5 | 158.6 | -68.5 | -157.6 | -178.9 | -147.2 | 1.8 | 108.8 | F141 | R139-F141 PolarHBondContact O-N 3.14Š| ||
| 140 | H | 58.6 | Low | 67.4 | Low | 147 Ų | 147 | 120 Ų | 120 | 68% | 0.681 | 61% | 0.607 | S | S | * | * | trans | -80.2 | 106.3 | 173.9 | -148.6 | 82.7 | 0 | 0 | 0 | 108.4 | V138 | V138-H140 HydrophobicContact CG1-CB 4.48Š| ||
| 141 | F | 56.1 | Low | 68.8 | Low | 126 Ų | 126 | 112.9 Ų | 112.9 | 55% | 0.553 | 59% | 0.587 | S | S | * | * | trans | -67.6 | 134 | 165.8 | -69.4 | -88.7 | 0 | 0 | 0 | 108.1 | R139 A143 R146 | R139-F141 PolarHBondContact O-N 3.14Å; F141-A143 PolarHBondContact O-N 2.9Å; F141-R146 HydrophobicContact CB-CG 4.29Å | ||
| 142 | P | 73.3 | Confident | 70.6 | Confident | 50 Ų | 50 | 112.5 Ų | 112.5 | 33% | 0.325 | 58% | 0.582 | S | S | . | * | trans | -53.8 | 138.6 | 175.1 | -24 | 33 | 0 | 0 | 0 | 111.7 | H144 E145 R146 | P142-H144 WeakPolarHBondContact CB-CE1 3.35Å; P142-H144 WeakPolarHBondContact CB-ND1 3.48Å; P142-H144 PolarHBondContact O-N 3.32Å; P142-E145 HydrophobicContact CB-CG 4.35Å; P142-E145 HydrophobicContact CG-CG 4.5Å; P142-E145 PolarHBondContact O-N 2.9Å; P142-R146 PolarHBondContact O-N 3.36Å | ||
| 143 | A | 71.6 | Confident | 72.7 | Confident | 56 Ų | 56 | 116.5 Ų | 116.5 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -58.2 | -35.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | F141 E145 R146 E147 | F141-A143 PolarHBondContact O-N 2.9Å; A143-E145 PolarHBondContact O-N 3.03Å; A143-R146 WeakPolarHBondContact O-CB 3.42Å; A143-R146 PolarHBondContact O-N 2.95Å; A143-E147 WeakPolarHBondContact O-CG 3.17Å; A143-E147 PolarHBondContact O-N 3.28Å |
| 144 | H | 80.1 | Confident | 74.8 | Confident | 109 Ų | 109 | 113.9 Ų | 113.9 | 51% | 0.505 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.2 | -38.6 | 179.6 | 64.6 | -88.2 | 0 | 0 | 0 | 113.2 | P142 R146 E147 D148 | P142-H144 WeakPolarHBondContact CB-CE1 3.35Å; P142-H144 WeakPolarHBondContact CB-ND1 3.48Å; P142-H144 PolarHBondContact O-N 3.32Å; H144-R146 PolarHBondContact O-N 3.4Å; H144-E147 PolarHBondContact O-N 2.79Å; H144-D148 WeakPolarHBondContact O-CB 3.03Å; H144-D148 PolarHBondContact O-N 3.42Å |
| 145 | E | 81.9 | Confident | 76.9 | Confident | 101 Ų | 101 | 110.8 Ų | 110.8 | 47% | 0.472 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.4 | -31.2 | 176.4 | -64 | 180 | 176.9 | 0 | 0 | 111.7 | P142 A143 L149 | P142-E145 HydrophobicContact CB-CG 4.35Å; P142-E145 HydrophobicContact CG-CG 4.5Å; P142-E145 PolarHBondContact O-N 2.9Å; A143-E145 PolarHBondContact O-N 3.03Å; E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 PolarHBondContact O-N 2.77Å; E145-L149 VanDerWaalsContact O-N 3.14Å |
| 146 | R | 82.6 | Confident | 79 | Confident | 116 Ų | 116 | 104.3 Ų | 104.3 | 44% | 0.438 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.9 | -44.4 | 174.5 | -64.3 | 177.8 | 173.5 | 162.7 | 2.1 | 111.1 | F141 P142 A143 H144 D148 L149 V150 | F141-R146 HydrophobicContact CB-CG 4.29Å; P142-R146 PolarHBondContact O-N 3.36Å; A143-R146 WeakPolarHBondContact O-CB 3.42Å; A143-R146 PolarHBondContact O-N 2.95Å; H144-R146 PolarHBondContact O-N 3.4Å; R146-D148 VanDerWaalsContact C-N 3.34Å; R146-L149 PolarHBondContact O-N 3.24Å; R146-V150 WeakPolarHBondContact O-CB 3.39Å; R146-V150 VanDerWaalsContact O-CG2 3.25Å; R146-V150 WeakPolarHBondContact O-CG2 3.22Å; R146-V150 PolarHBondContact O-N 2.77Å |
| 147 | E | 86.7 | Confident | 81.1 | Confident | 128 Ų | 128 | 99.1 Ų | 99.1 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 177.2 | -73.3 | 169.8 | -168.5 | 0 | 0 | 111.9 | A143 H144 V150 S151 | A143-E147 WeakPolarHBondContact O-CG 3.17Å; A143-E147 PolarHBondContact O-N 3.28Å; H144-E147 PolarHBondContact O-N 2.79Å; E147-V150 PolarHBondContact O-N 3.49Å; E147-S151 VanDerWaalsContact O-CB 3.31Å; E147-S151 WeakPolarHBondContact O-CB 3.21Å; E147-S151 PolarHBondContact O-N 2.77Å; E147-S151 PolarHBondContact O-OG 2.78Å |
| 148 | D | 90.7 | Very high | 83.2 | Confident | 93 Ų | 93 | 102.7 Ų | 102.7 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.5 | -76.6 | -24.5 | 0 | 0 | 0 | 111.7 | H144 R146 S151 Q152 | H144-D148 WeakPolarHBondContact O-CB 3.03Å; H144-D148 PolarHBondContact O-N 3.42Å; R146-D148 VanDerWaalsContact C-N 3.34Å; D148-S151 PolarHBondContact O-N 2.75Å; D148-Q152 WeakPolarHBondContact O-CB 3.42Å; D148-Q152 VanDerWaalsContact O-CG 3.26Å; D148-Q152 WeakPolarHBondContact O-CG 3.35Å; D148-Q152 PolarHBondContact O-N 2.7Å |
| 149 | L | 91.9 | Very high | 85.4 | Confident | 97 Ų | 97 | 102.5 Ų | 102.5 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 177.4 | -175.6 | 63.9 | 0 | 0 | 0 | 111.7 | E145 R146 S151 Q152 L153 | E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 PolarHBondContact O-N 2.77Å; E145-L149 VanDerWaalsContact O-N 3.14Å; R146-L149 PolarHBondContact O-N 3.24Å; L149-S151 VanDerWaalsContact C-N 3.34Å; L149-Q152 PolarHBondContact O-N 3.3Å; L149-L153 HydrophobicContact CG-CD1 4.33Å; L149-L153 WeakPolarHBondContact O-CG 3.45Å; L149-L153 PolarHBondContact O-N 3.43Å |
| 150 | V | 92.8 | Very high | 87.1 | Confident | 74 Ų | 74 | 96.8 Ų | 96.8 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.1 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | R146 E147 Q152 L153 E154 | R146-V150 WeakPolarHBondContact O-CB 3.39Å; R146-V150 VanDerWaalsContact O-CG2 3.25Å; R146-V150 WeakPolarHBondContact O-CG2 3.22Å; R146-V150 PolarHBondContact O-N 2.77Å; E147-V150 PolarHBondContact O-N 3.49Å; V150-Q152 VanDerWaalsContact C-N 3.28Å; V150-Q152 PolarHBondContact O-N 3.04Å; V150-L153 PolarHBondContact O-N 2.87Å; V150-L153 VanDerWaalsContact O-N 3.13Å; V150-E154 HydrophobicContact CG1-CG 4.32Å; V150-E154 WeakPolarHBondContact O-CG 3.38Å; V150-E154 PolarHBondContact O-N 3.35Å |
| 151 | S | 93.8 | Very high | 89 | Confident | 47 Ų | 47 | 95 Ų | 95 | 33% | 0.329 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -35.3 | 176.8 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | E147 D148 L149 R155 | E147-S151 VanDerWaalsContact O-CB 3.31Å; E147-S151 WeakPolarHBondContact O-CB 3.21Å; E147-S151 PolarHBondContact O-N 2.77Å; E147-S151 PolarHBondContact O-OG 2.78Å; D148-S151 PolarHBondContact O-N 2.75Å; L149-S151 VanDerWaalsContact C-N 3.34Å; S151-R155 WeakPolarHBondContact O-CB 3.32Å; S151-R155 PolarHBondContact O-N 3.41Å; S151-R155 VanDerWaalsContact O-N 3.14Å; S151-R155 PolarHBondContact O-NH1 3.27Å; S151-R155 VanDerWaalsContact O-NH1 3.15Å |
| 152 | Q | 95.6 | Very high | 91 | Very high | 116 Ų | 116 | 94.8 Ų | 94.8 | 54% | 0.542 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 173.8 | -73.9 | 172.8 | 38.3 | 0 | 0 | 111.6 | D148 L149 V150 R155 A156 | D148-Q152 WeakPolarHBondContact O-CB 3.42Å; D148-Q152 VanDerWaalsContact O-CG 3.26Å; D148-Q152 WeakPolarHBondContact O-CG 3.35Å; D148-Q152 PolarHBondContact O-N 2.7Å; L149-Q152 PolarHBondContact O-N 3.3Å; V150-Q152 VanDerWaalsContact C-N 3.28Å; V150-Q152 PolarHBondContact O-N 3.04Å; Q152-R155 PolarHBondContact O-N 3.06Å; Q152-A156 WeakPolarHBondContact O-CB 3.44Å; Q152-A156 PolarHBondContact O-N 2.92Å |
| 153 | L | 95.9 | Very high | 92.1 | Very high | 113 Ų | 113 | 98 Ų | 98 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 177.3 | -72.2 | 171.9 | 0 | 0 | 0 | 112.2 | L149 V150 R155 A156 G157 | L149-L153 HydrophobicContact CG-CD1 4.33Å; L149-L153 WeakPolarHBondContact O-CG 3.45Å; L149-L153 PolarHBondContact O-N 3.43Å; V150-L153 PolarHBondContact O-N 2.87Å; V150-L153 VanDerWaalsContact O-N 3.13Å; L153-R155 VanDerWaalsContact C-N 3.34Å; L153-R155 PolarHBondContact O-N 2.96Å; L153-A156 PolarHBondContact O-N 2.88Å; L153-G157 PolarHBondContact O-N 3.24Å |
| 154 | E | 96.2 | Very high | 93.3 | Very high | 104 Ų | 104 | 99.4 Ų | 99.4 | 49% | 0.486 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 174.9 | -73 | 178.5 | 179.4 | 0 | 0 | 112 | V150 G157 R158 | V150-E154 HydrophobicContact CG1-CG 4.32Å; V150-E154 WeakPolarHBondContact O-CG 3.38Å; V150-E154 PolarHBondContact O-N 3.35Å; E154-G157 PolarHBondContact O-N 2.88Å; E154-R158 WeakPolarHBondContact O-CG 3.45Å; E154-R158 PolarHBondContact O-N 3.1Å |
| 155 | R | 97.3 | Very high | 94.2 | Very high | 129 Ų | 129 | 100 Ų | 100 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 176.2 | -170.6 | -178.5 | -66.3 | 94.9 | -2.2 | 111.3 | S151 Q152 L153 G157 R158 Q159 | S151-R155 WeakPolarHBondContact O-CB 3.32Å; S151-R155 PolarHBondContact O-N 3.41Å; S151-R155 VanDerWaalsContact O-N 3.14Å; S151-R155 PolarHBondContact O-NH1 3.27Å; S151-R155 VanDerWaalsContact O-NH1 3.15Å; Q152-R155 PolarHBondContact O-N 3.06Å; L153-R155 VanDerWaalsContact C-N 3.34Å; L153-R155 PolarHBondContact O-N 2.96Å; R155-G157 VanDerWaalsContact C-N 3.32Å; R155-R158 PolarHBondContact O-N 2.62Å; R155-Q159 VanDerWaalsContact O-CG 3.32Å; R155-Q159 WeakPolarHBondContact O-CG 3.45Å; R155-Q159 PolarHBondContact O-N 3.24Å |
| 156 | A | 95.5 | Very high | 95 | Very high | 50 Ų | 50 | 98.8 Ų | 98.8 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q152 L153 Q159 M160 | Q152-A156 WeakPolarHBondContact O-CB 3.44Å; Q152-A156 PolarHBondContact O-N 2.92Å; L153-A156 PolarHBondContact O-N 2.88Å; A156-Q159 PolarHBondContact O-N 3.49Å; A156-M160 WeakPolarHBondContact O-CB 3.28Å; A156-M160 PolarHBondContact O-N 2.95Å |
| 157 | G | 97.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 97.6 Ų | 97.6 | 23% | 0.227 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L153 E154 R155 Q159 M160 E161 | L153-G157 PolarHBondContact O-N 3.24Å; E154-G157 PolarHBondContact O-N 2.88Å; R155-G157 VanDerWaalsContact C-N 3.32Å; G157-Q159 VanDerWaalsContact C-N 3.32Å; G157-Q159 PolarHBondContact O-N 2.83Å; G157-M160 WeakPolarHBondContact O-CB 3.38Å; G157-M160 PolarHBondContact O-N 2.79Å; G157-M160 VanDerWaalsContact O-N 3.14Å; G157-E161 WeakPolarHBondContact O-CG 3.49Å; G157-E161 PolarHBondContact O-N 2.85Å |
| 158 | R | 97.7 | Very high | 96.3 | Very high | 128 Ų | 128 | 97 Ų | 97 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 174.4 | -75.7 | -170.5 | -73 | -104.3 | -4.1 | 112.5 | E154 R155 M160 E161 E162 | E154-R158 WeakPolarHBondContact O-CG 3.45Å; E154-R158 PolarHBondContact O-N 3.1Å; R155-R158 PolarHBondContact O-N 2.62Å; R158-M160 VanDerWaalsContact C-N 3.31Å; R158-M160 PolarHBondContact O-N 2.77Å; R158-E161 PolarHBondContact O-N 2.87Å; R158-E162 WeakPolarHBondContact O-CB 3.4Å; R158-E162 VanDerWaalsContact O-CG 3.3Å; R158-E162 WeakPolarHBondContact O-CG 3.43Å; R158-E162 PolarHBondContact O-N 3.37Å |
| 159 | Q | 97.6 | Very high | 96.7 | Very high | 117 Ų | 117 | 94.8 Ų | 94.8 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 176.6 | -74.9 | 177.3 | -23.4 | 0 | 0 | 112.3 | R155 A156 G157 M163 | R155-Q159 VanDerWaalsContact O-CG 3.32Å; R155-Q159 WeakPolarHBondContact O-CG 3.45Å; R155-Q159 PolarHBondContact O-N 3.24Å; A156-Q159 PolarHBondContact O-N 3.49Å; G157-Q159 VanDerWaalsContact C-N 3.32Å; G157-Q159 PolarHBondContact O-N 2.83Å; Q159-M163 WeakPolarHBondContact O-CB 3.48Å; Q159-M163 PolarHBondContact O-N 2.86Å |
| 160 | M | 96.1 | Very high | 97 | Very high | 110 Ų | 110 | 95.1 Ų | 95.1 | 54% | 0.542 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 175.8 | -172.2 | 176.8 | 70.5 | 0 | 0 | 111.1 | A156 G157 R158 M163 E164 | A156-M160 WeakPolarHBondContact O-CB 3.28Å; A156-M160 PolarHBondContact O-N 2.95Å; G157-M160 WeakPolarHBondContact O-CB 3.38Å; G157-M160 PolarHBondContact O-N 2.79Å; G157-M160 VanDerWaalsContact O-N 3.14Å; R158-M160 VanDerWaalsContact C-N 3.31Å; R158-M160 PolarHBondContact O-N 2.77Å; M160-M163 PolarHBondContact O-N 3.12Å; M160-E164 WeakPolarHBondContact O-CG 3.42Å; M160-E164 PolarHBondContact O-N 3.26Å |
| 161 | E | 97.7 | Very high | 97.2 | Very high | 108 Ų | 108 | 95.3 Ų | 95.3 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 175.6 | -71.2 | 171.2 | -177.7 | 0 | 0 | 111.8 | G157 R158 M163 E164 H165 | G157-E161 WeakPolarHBondContact O-CG 3.49Å; G157-E161 PolarHBondContact O-N 2.85Å; R158-E161 PolarHBondContact O-N 2.87Å; E161-M163 VanDerWaalsContact C-N 3.32Å; E161-M163 PolarHBondContact O-N 2.92Å; E161-E164 WeakPolarHBondContact O-CB 3.5Å; E161-E164 PolarHBondContact O-N 3.45Å; E161-H165 PolarHBondContact O-CD2 3.41Å; E161-H165 PolarHBondContact O-N 3.15Å |
| 162 | E | 98 | Very high | 97.5 | Very high | 123 Ų | 123 | 98 Ų | 98 | 58% | 0.575 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.1 | -46.9 | 174.5 | -75.9 | 170.5 | -172.1 | 0 | 0 | 111.1 | R158 E164 H165 T166 | R158-E162 WeakPolarHBondContact O-CB 3.4Å; R158-E162 VanDerWaalsContact O-CG 3.3Å; R158-E162 WeakPolarHBondContact O-CG 3.43Å; R158-E162 PolarHBondContact O-N 3.37Å; E162-E164 PolarHBondContact O-N 2.92Å; E162-H165 PolarHBondContact O-N 3.31Å; E162-T166 WeakPolarHBondContact O-CG2 3.36Å; E162-T166 PolarHBondContact O-N 3.05Å |
| 163 | M | 97.1 | Very high | 97.6 | Very high | 116 Ų | 116 | 98 Ų | 98 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.1 | -39 | 179.9 | -150.3 | 179.8 | 69.5 | 0 | 0 | 111.6 | Q159 M160 E161 H165 T166 I167 | Q159-M163 WeakPolarHBondContact O-CB 3.48Å; Q159-M163 PolarHBondContact O-N 2.86Å; M160-M163 PolarHBondContact O-N 3.12Å; E161-M163 VanDerWaalsContact C-N 3.32Å; E161-M163 PolarHBondContact O-N 2.92Å; M163-H165 VanDerWaalsContact C-N 3.35Å; M163-H165 PolarHBondContact O-N 3.43Å; M163-T166 WeakPolarHBondContact CA-OG1 3.39Å; M163-T166 PolarHBondContact O-N 3.09Å; M163-T166 PolarHBondContact O-OG1 2.95Å; M163-I167 HydrophobicContact CE-CD1 4.45Å; M163-I167 VanDerWaalsContact O-CG1 3.3Å; M163-I167 WeakPolarHBondContact O-CG1 3.35Å; M163-I167 PolarHBondContact O-N 3.3Å |
| 164 | E | 97.8 | Very high | 97.7 | Very high | 87 Ų | 87 | 96.9 Ų | 96.9 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 172.2 | -76 | -179.9 | -168.6 | 0 | 0 | 112.3 | M160 E161 E162 I167 K168 | M160-E164 WeakPolarHBondContact O-CG 3.42Å; M160-E164 PolarHBondContact O-N 3.26Å; E161-E164 WeakPolarHBondContact O-CB 3.5Å; E161-E164 PolarHBondContact O-N 3.45Å; E162-E164 PolarHBondContact O-N 2.92Å; E164-I167 PolarHBondContact O-N 2.96Å; E164-K168 VanDerWaalsContact O-CG 3.32Å; E164-K168 WeakPolarHBondContact O-CG 3.36Å; E164-K168 PolarHBondContact O-N 3.44Å |
| 165 | H | 98.4 | Very high | 97.8 | Very high | 122 Ų | 122 | 97.4 Ų | 97.4 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 175 | -73.7 | -59.5 | 0 | 0 | 0 | 111.9 | E161 E162 M163 K168 A169 | E161-H165 PolarHBondContact O-CD2 3.41Å; E161-H165 PolarHBondContact O-N 3.15Å; E162-H165 PolarHBondContact O-N 3.31Å; M163-H165 VanDerWaalsContact C-N 3.35Å; M163-H165 PolarHBondContact O-N 3.43Å; H165-K168 PolarHBondContact O-N 2.93Å; H165-A169 PolarHBondContact O-N 3.4Å |
| 166 | T | 98.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 96.2 Ų | 96.2 | 46% | 0.46 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 176 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | E162 M163 K168 A169 L170 | E162-T166 WeakPolarHBondContact O-CG2 3.36Å; E162-T166 PolarHBondContact O-N 3.05Å; M163-T166 WeakPolarHBondContact CA-OG1 3.39Å; M163-T166 PolarHBondContact O-N 3.09Å; M163-T166 PolarHBondContact O-OG1 2.95Å; T166-K168 VanDerWaalsContact C-N 3.34Å; T166-K168 PolarHBondContact O-N 2.95Å; T166-A169 PolarHBondContact O-N 3.04Å; T166-L170 WeakPolarHBondContact O-CB 3.38Å; T166-L170 VanDerWaalsContact O-CG 3.29Å; T166-L170 WeakPolarHBondContact O-CG 3.48Å; T166-L170 PolarHBondContact O-N 2.95Å |
| 167 | I | 98.1 | Very high | 98 | Very high | 91 Ų | 91 | 98 Ų | 98 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.3 | -71.4 | 167 | 0 | 0 | 0 | 110.5 | M163 E164 L170 T171 | M163-I167 HydrophobicContact CE-CD1 4.45Å; M163-I167 VanDerWaalsContact O-CG1 3.3Å; M163-I167 WeakPolarHBondContact O-CG1 3.35Å; M163-I167 PolarHBondContact O-N 3.3Å; E164-I167 PolarHBondContact O-N 2.96Å; I167-L170 PolarHBondContact O-N 2.92Å; I167-T171 WeakPolarHBondContact O-CB 3.45Å; I167-T171 PolarHBondContact O-N 3.39Å; I167-T171 PolarHBondContact O-OG1 3.14Å |
| 168 | K | 98.5 | Very high | 98 | Very high | 115 Ų | 115 | 100.7 Ų | 100.7 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -51.6 | 175.8 | -74.9 | 165.7 | -179.4 | 160.3 | 0 | 110.9 | E164 H165 T166 L170 T171 D172 | E164-K168 VanDerWaalsContact O-CG 3.32Å; E164-K168 WeakPolarHBondContact O-CG 3.36Å; E164-K168 PolarHBondContact O-N 3.44Å; H165-K168 PolarHBondContact O-N 2.93Å; T166-K168 VanDerWaalsContact C-N 3.34Å; T166-K168 PolarHBondContact O-N 2.95Å; K168-L170 PolarHBondContact O-N 3.44Å; K168-T171 WeakPolarHBondContact O-CB 3.3Å; K168-T171 PolarHBondContact O-N 2.94Å; K168-D172 PolarHBondContact O-N 3.07Å |
| 169 | A | 98.4 | Very high | 98 | Very high | 47 Ų | 47 | 97 Ų | 97 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H165 T166 T171 D172 E173 | H165-A169 PolarHBondContact O-N 3.4Å; T166-A169 PolarHBondContact O-N 3.04Å; A169-T171 VanDerWaalsContact C-N 3.26Å; A169-T171 PolarHBondContact O-N 3.33Å; A169-D172 PolarHBondContact O-N 3.31Å; A169-E173 WeakPolarHBondContact O-CG 3.31Å; A169-E173 PolarHBondContact O-N 3.39Å |
| 170 | L | 98.4 | Very high | 98.1 | Very high | 104 Ų | 104 | 96.9 Ų | 96.9 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -29.6 | 177 | -70.6 | 174.6 | 0 | 0 | 0 | 113 | T166 I167 K168 L174 | T166-L170 WeakPolarHBondContact O-CB 3.38Å; T166-L170 VanDerWaalsContact O-CG 3.29Å; T166-L170 WeakPolarHBondContact O-CG 3.48Å; T166-L170 PolarHBondContact O-N 2.95Å; I167-L170 PolarHBondContact O-N 2.92Å; K168-L170 PolarHBondContact O-N 3.44Å; L170-L174 VanDerWaalsContact O-CB 3.24Å; L170-L174 WeakPolarHBondContact O-CB 3.49Å; L170-L174 PolarHBondContact O-N 2.99Å |
| 171 | T | 98.3 | Very high | 98.1 | Very high | 78 Ų | 78 | 97.7 Ų | 97.7 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.4 | -40.4 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | I167 K168 A169 L174 Q175 | I167-T171 WeakPolarHBondContact O-CB 3.45Å; I167-T171 PolarHBondContact O-N 3.39Å; I167-T171 PolarHBondContact O-OG1 3.14Å; K168-T171 WeakPolarHBondContact O-CB 3.3Å; K168-T171 PolarHBondContact O-N 2.94Å; A169-T171 VanDerWaalsContact C-N 3.26Å; A169-T171 PolarHBondContact O-N 3.33Å; T171-L174 PolarHBondContact O-N 2.99Å; T171-Q175 PolarHBondContact O-N 2.96Å |
| 172 | D | 98.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 96.2 Ų | 96.2 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -48.4 | 175.2 | -63.5 | -24.1 | 0 | 0 | 0 | 110.3 | K168 A169 L174 Q175 D176 | K168-D172 PolarHBondContact O-N 3.07Å; A169-D172 PolarHBondContact O-N 3.31Å; D172-L174 VanDerWaalsContact C-N 3.31Å; D172-L174 PolarHBondContact O-N 3.29Å; D172-Q175 WeakPolarHBondContact O-CA 3.46Å; D172-Q175 WeakPolarHBondContact O-CB 3.25Å; D172-Q175 PolarHBondContact O-N 3.35Å; D172-D176 PolarHBondContact O-N 2.97Å |
| 173 | E | 98.4 | Very high | 98.2 | Very high | 116 Ų | 116 | 94.3 Ų | 94.3 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.4 | -42.2 | 174 | -72 | 177.3 | -171.5 | 0 | 0 | 112.3 | A169 Q175 D176 V177 | A169-E173 WeakPolarHBondContact O-CG 3.31Å; A169-E173 PolarHBondContact O-N 3.39Å; E173-Q175 VanDerWaalsContact C-N 3.27Å; E173-Q175 PolarHBondContact O-N 3.25Å; E173-D176 PolarHBondContact O-N 2.97Å; E173-V177 WeakPolarHBondContact O-CG2 3.42Å; E173-V177 PolarHBondContact O-N 2.98Å |
| 174 | L | 97.8 | Very high | 98.2 | Very high | 90 Ų | 90 | 95.1 Ų | 95.1 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62 | -37 | 175.6 | 175.5 | 64.5 | 0 | 0 | 0 | 111.8 | L170 T171 D172 K178 | L170-L174 VanDerWaalsContact O-CB 3.24Å; L170-L174 WeakPolarHBondContact O-CB 3.49Å; L170-L174 PolarHBondContact O-N 2.99Å; T171-L174 PolarHBondContact O-N 2.99Å; D172-L174 VanDerWaalsContact C-N 3.31Å; D172-L174 PolarHBondContact O-N 3.29Å; L174-K178 HydrophobicContact CG-CD 4.37Å; L174-K178 WeakPolarHBondContact O-CB 3.46Å; L174-K178 VanDerWaalsContact O-CG 3.25Å; L174-K178 WeakPolarHBondContact O-CG 3.37Å; L174-K178 PolarHBondContact O-N 3.34Å |
| 175 | Q | 98.4 | Very high | 98.2 | Very high | 114 Ų | 114 | 96.9 Ų | 96.9 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 178.5 | -170.7 | 65.9 | -2.1 | 0 | 0 | 111.2 | T171 D172 E173 K178 A179 | T171-Q175 PolarHBondContact O-N 2.96Å; D172-Q175 WeakPolarHBondContact O-CA 3.46Å; D172-Q175 WeakPolarHBondContact O-CB 3.25Å; D172-Q175 PolarHBondContact O-N 3.35Å; E173-Q175 VanDerWaalsContact C-N 3.27Å; E173-Q175 PolarHBondContact O-N 3.25Å; Q175-K178 WeakPolarHBondContact O-CB 3.22Å; Q175-K178 PolarHBondContact O-N 3.46Å; Q175-A179 PolarHBondContact O-N 2.96Å |
| 176 | D | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 95.6 Ų | 95.6 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -48.8 | 173.9 | -69.5 | -17.2 | 0 | 0 | 0 | 111.1 | D172 E173 K178 A179 E180 | D172-D176 PolarHBondContact O-N 2.97Å; E173-D176 PolarHBondContact O-N 2.97Å; D176-K178 VanDerWaalsContact C-N 3.28Å; D176-K178 PolarHBondContact O-N 3Å; D176-A179 WeakPolarHBondContact O-CB 3.41Å; D176-A179 PolarHBondContact O-N 3.08Å; D176-E180 WeakPolarHBondContact O-CG 3.45Å; D176-E180 PolarHBondContact O-N 2.92Å |
| 177 | V | 98.2 | Very high | 98.2 | Very high | 86 Ų | 86 | 98.1 Ų | 98.1 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -36.7 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | E173 R181 | E173-V177 WeakPolarHBondContact O-CG2 3.42Å; E173-V177 PolarHBondContact O-N 2.98Å; V177-R181 VanDerWaalsContact O-CB 3.3Å; V177-R181 WeakPolarHBondContact O-CB 3.33Å; V177-R181 PolarHBondContact O-N 3.49Å |
| 178 | K | 97.9 | Very high | 98.1 | Very high | 80 Ų | 80 | 96.3 Ų | 96.3 | 35% | 0.348 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 173.9 | -80.2 | 171.9 | -178 | 170.1 | 0 | 111.7 | L174 Q175 D176 R181 I182 | L174-K178 HydrophobicContact CG-CD 4.37Å; L174-K178 WeakPolarHBondContact O-CB 3.46Å; L174-K178 VanDerWaalsContact O-CG 3.25Å; L174-K178 WeakPolarHBondContact O-CG 3.37Å; L174-K178 PolarHBondContact O-N 3.34Å; Q175-K178 WeakPolarHBondContact O-CB 3.22Å; Q175-K178 PolarHBondContact O-N 3.46Å; D176-K178 VanDerWaalsContact C-N 3.28Å; D176-K178 PolarHBondContact O-N 3Å; K178-R181 PolarHBondContact O-N 3.24Å; K178-I182 VanDerWaalsContact O-CG1 3.31Å; K178-I182 WeakPolarHBondContact O-CG1 3.3Å; K178-I182 PolarHBondContact O-N 3.05Å; K178-I182 VanDerWaalsContact O-N 3.08Å |
| 179 | A | 97.9 | Very high | 97.9 | Very high | 50 Ų | 50 | 95 Ų | 95 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | Q175 D176 R181 I182 V183 | Q175-A179 PolarHBondContact O-N 2.96Å; D176-A179 WeakPolarHBondContact O-CB 3.41Å; D176-A179 PolarHBondContact O-N 3.08Å; A179-R181 VanDerWaalsContact C-N 3.33Å; A179-R181 PolarHBondContact O-N 3.06Å; A179-I182 WeakPolarHBondContact O-CB 3.4Å; A179-I182 PolarHBondContact O-N 2.9Å; A179-I182 VanDerWaalsContact O-N 3.1Å; A179-V183 PolarHBondContact O-N 3.3Å |
| 180 | E | 98.3 | Very high | 97.8 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 174.3 | -71.1 | -176.7 | 176.4 | 0 | 0 | 111.8 | D176 I182 V183 F184 | D176-E180 WeakPolarHBondContact O-CG 3.45Å; D176-E180 PolarHBondContact O-N 2.92Å; E180-I182 VanDerWaalsContact C-N 3.27Å; E180-I182 PolarHBondContact O-N 3.02Å; E180-V183 WeakPolarHBondContact O-CB 3.35Å; E180-V183 PolarHBondContact O-N 2.85Å; E180-V183 VanDerWaalsContact O-N 3.14Å; E180-F184 HydrophobicContact CB-CD2 4.46Å; E180-F184 HydrophobicContact CB-CE2 4.34Å; E180-F184 WeakPolarHBondContact O-CD2 3.37Å; E180-F184 PolarHBondContact O-N 3.25Å |
| 181 | R | 98 | Very high | 97.6 | Very high | 128 Ų | 128 | 100.1 Ų | 100.1 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -37.9 | 176.4 | -174.5 | -169 | 67.5 | -164.6 | -2 | 112.2 | V177 K178 A179 R185 | V177-R181 VanDerWaalsContact O-CB 3.3Å; V177-R181 WeakPolarHBondContact O-CB 3.33Å; V177-R181 PolarHBondContact O-N 3.49Å; K178-R181 PolarHBondContact O-N 3.24Å; A179-R181 VanDerWaalsContact C-N 3.33Å; A179-R181 PolarHBondContact O-N 3.06Å; R181-R185 WeakPolarHBondContact O-CB 3.48Å; R181-R185 PolarHBondContact O-N 3.06Å |
| 182 | I | 97.9 | Very high | 97.2 | Very high | 77 Ų | 77 | 100.3 Ų | 100.3 | 40% | 0.395 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 175.9 | -68.9 | 163 | 0 | 0 | 0 | 109.6 | K178 A179 E180 F184 R185 E186 | K178-I182 VanDerWaalsContact O-CG1 3.31Å; K178-I182 WeakPolarHBondContact O-CG1 3.3Å; K178-I182 PolarHBondContact O-N 3.05Å; K178-I182 VanDerWaalsContact O-N 3.08Å; A179-I182 WeakPolarHBondContact O-CB 3.4Å; A179-I182 PolarHBondContact O-N 2.9Å; A179-I182 VanDerWaalsContact O-N 3.1Å; E180-I182 VanDerWaalsContact C-N 3.27Å; E180-I182 PolarHBondContact O-N 3.02Å; I182-F184 VanDerWaalsContact C-N 3.32Å; I182-F184 PolarHBondContact O-N 2.89Å; I182-R185 WeakPolarHBondContact O-CB 3.43Å; I182-R185 PolarHBondContact O-N 3.16Å; I182-R185 VanDerWaalsContact O-N 3.14Å; I182-E186 HydrophobicContact CG2-CG 4.37Å; I182-E186 WeakPolarHBondContact CG2-OE1 3.3Å; I182-E186 WeakPolarHBondContact O-CG 3.29Å; I182-E186 PolarHBondContact O-N 3.04Å |
| 183 | V | 98.2 | Very high | 96.6 | Very high | 83 Ų | 83 | 99.9 Ų | 99.9 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 177.5 | 175 | 0 | 0 | 0 | 0 | 111.8 | A179 E180 K187 | A179-V183 PolarHBondContact O-N 3.3Å; E180-V183 WeakPolarHBondContact O-CB 3.35Å; E180-V183 PolarHBondContact O-N 2.85Å; E180-V183 VanDerWaalsContact O-N 3.14Å; V183-K187 WeakPolarHBondContact O-CB 3.43Å; V183-K187 PolarHBondContact O-N 3.43Å |
| 184 | F | 98.2 | Very high | 96 | Very high | 133 Ų | 133 | 99.7 Ų | 99.7 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.3 | -38.2 | 176.9 | -75.1 | -60.5 | 0 | 0 | 0 | 112.8 | E180 I182 K187 A188 | E180-F184 HydrophobicContact CB-CD2 4.46Å; E180-F184 HydrophobicContact CB-CE2 4.34Å; E180-F184 WeakPolarHBondContact O-CD2 3.37Å; E180-F184 PolarHBondContact O-N 3.25Å; I182-F184 VanDerWaalsContact C-N 3.32Å; I182-F184 PolarHBondContact O-N 2.89Å; F184-K187 WeakPolarHBondContact O-CB 3.24Å; F184-K187 PolarHBondContact O-N 3.49Å; F184-A188 PolarHBondContact O-N 2.92Å |
| 185 | R | 97.9 | Very high | 95.3 | Very high | 124 Ų | 124 | 99.4 Ų | 99.4 | 47% | 0.468 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 174.6 | -175.4 | 176.7 | -60.4 | 135.5 | 2.2 | 111.2 | R181 I182 K187 A188 D189 | R181-R185 WeakPolarHBondContact O-CB 3.48Å; R181-R185 PolarHBondContact O-N 3.06Å; I182-R185 WeakPolarHBondContact O-CB 3.43Å; I182-R185 PolarHBondContact O-N 3.16Å; I182-R185 VanDerWaalsContact O-N 3.14Å; R185-K187 PolarHBondContact O-N 3.32Å; R185-A188 CarbonylContact O-C 3.56Å; R185-A188 WeakPolarHBondContact O-CA 3.32Å; R185-A188 WeakPolarHBondContact O-CB 3.4Å; R185-A188 PolarHBondContact O-N 3.45Å; R185-D189 VanDerWaalsContact O-CG 3.27Å; R185-D189 PolarHBondContact O-N 3.09Å |
| 186 | E | 97.7 | Very high | 94.3 | Very high | 94 Ų | 94 | 98 Ų | 98 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.9 | -36 | 176.5 | -68.9 | 174.2 | -176.4 | 0 | 0 | 112 | I182 D189 R190 | I182-E186 HydrophobicContact CG2-CG 4.37Å; I182-E186 WeakPolarHBondContact CG2-OE1 3.3Å; I182-E186 WeakPolarHBondContact O-CG 3.29Å; I182-E186 PolarHBondContact O-N 3.04Å; E186-D189 PolarHBondContact O-N 2.96Å; E186-R190 WeakPolarHBondContact O-CB 3.4Å; E186-R190 VanDerWaalsContact O-CG 3.32Å; E186-R190 WeakPolarHBondContact O-CG 3.37Å; E186-R190 PolarHBondContact O-N 3.45Å; E186-R190 IonicContact OE2-NH1 3.85Å |
| 187 | K | 98.1 | Very high | 93.3 | Very high | 129 Ų | 129 | 98.1 Ų | 98.1 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.8 | -43.6 | 173.8 | -174.1 | 179.8 | -179.7 | -178.4 | 0 | 111.5 | V183 F184 R185 L191 | V183-K187 WeakPolarHBondContact O-CB 3.43Å; V183-K187 PolarHBondContact O-N 3.43Å; F184-K187 WeakPolarHBondContact O-CB 3.24Å; F184-K187 PolarHBondContact O-N 3.49Å; R185-K187 PolarHBondContact O-N 3.32Å; K187-L191 WeakPolarHBondContact O-CB 3.47Å; K187-L191 PolarHBondContact O-N 2.92Å |
| 188 | A | 96.6 | Very high | 92.3 | Very high | 53 Ų | 53 | 99.1 Ų | 99.1 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F184 R185 L191 N192 | F184-A188 PolarHBondContact O-N 2.92Å; R185-A188 CarbonylContact O-C 3.56Å; R185-A188 WeakPolarHBondContact O-CA 3.32Å; R185-A188 WeakPolarHBondContact O-CB 3.4Å; R185-A188 PolarHBondContact O-N 3.45Å; A188-L191 PolarHBondContact O-N 3.49Å; A188-N192 WeakPolarHBondContact O-CB 3.31Å; A188-N192 PolarHBondContact O-N 2.89Å |
| 189 | D | 94.6 | Very high | 91 | Very high | 87 Ų | 87 | 101.2 Ų | 101.2 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 177.3 | -66.7 | -25.3 | 0 | 0 | 0 | 111.3 | R185 E186 N192 V193 | R185-D189 VanDerWaalsContact O-CG 3.27Å; R185-D189 PolarHBondContact O-N 3.09Å; E186-D189 PolarHBondContact O-N 2.96Å; D189-N192 PolarHBondContact O-N 3.14Å; D189-V193 WeakPolarHBondContact O-CG2 3.34Å; D189-V193 PolarHBondContact O-N 3.24Å |
| 190 | R | 96.7 | Very high | 89.3 | Confident | 138 Ų | 138 | 100.9 Ų | 100.9 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 174.2 | -74.5 | -170.8 | -59.1 | -91.3 | 1.8 | 111.8 | E186 N192 V193 E194 | E186-R190 WeakPolarHBondContact O-CB 3.4Å; E186-R190 VanDerWaalsContact O-CG 3.32Å; E186-R190 WeakPolarHBondContact O-CG 3.37Å; E186-R190 PolarHBondContact O-N 3.45Å; E186-R190 IonicContact OE2-NH1 3.85Å; R190-N192 VanDerWaalsContact C-N 3.27Å; R190-N192 PolarHBondContact O-N 3.12Å; R190-V193 PolarHBondContact O-N 3.48Å; R190-E194 WeakPolarHBondContact O-CG 3.28Å; R190-E194 PolarHBondContact O-N 3.27Å |
| 191 | L | 94.6 | Very high | 87.1 | Confident | 121 Ų | 121 | 98.6 Ų | 98.6 | 63% | 0.634 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -39.4 | 177.5 | -176.9 | 68.3 | 0 | 0 | 0 | 111.3 | K187 A188 E194 L195 | K187-L191 WeakPolarHBondContact O-CB 3.47Å; K187-L191 PolarHBondContact O-N 2.92Å; A188-L191 PolarHBondContact O-N 3.49Å; L191-E194 PolarHBondContact O-N 3.36Å; L191-L195 WeakPolarHBondContact O-CB 3.47Å; L191-L195 PolarHBondContact O-N 3.46Å |
| 192 | N | 88.3 | Confident | 85 | Confident | 81 Ų | 81 | 99.3 Ų | 99.3 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | 177.8 | -167.2 | 28.7 | 0 | 0 | 0 | 110.9 | A188 D189 R190 L195 N196 | A188-N192 WeakPolarHBondContact O-CB 3.31Å; A188-N192 PolarHBondContact O-N 2.89Å; D189-N192 PolarHBondContact O-N 3.14Å; R190-N192 VanDerWaalsContact C-N 3.27Å; R190-N192 PolarHBondContact O-N 3.12Å; N192-L195 PolarHBondContact O-N 3.39Å; N192-N196 WeakPolarHBondContact O-CB 3.26Å; N192-N196 PolarHBondContact O-N 3.38Å; N192-N196 PolarHBondContact O-ND2 3.25Å; N192-N196 PolarHBondContact OD1-ND2 2.89Å |
| 193 | V | 87.4 | Confident | 83.1 | Confident | 95 Ų | 95 | 103.8 Ų | 103.8 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.7 | -46.5 | 171.9 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | D189 R190 N196 H197 | D189-V193 WeakPolarHBondContact O-CG2 3.34Å; D189-V193 PolarHBondContact O-N 3.24Å; R190-V193 PolarHBondContact O-N 3.48Å; V193-N196 CarbonylContact O-C 3.6Å; V193-N196 PolarHBondContact O-N 3.45Å; V193-H197 VanDerWaalsContact O-CB 3.31Å; V193-H197 WeakPolarHBondContact O-CB 3.43Å; V193-H197 PolarHBondContact O-N 2.96Å |
| 194 | E | 85.9 | Confident | 81.2 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 52% | 0.523 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 177 | -67.7 | -59.7 | 147.5 | 0 | 0 | 112 | R190 L191 H197 I198 | R190-E194 WeakPolarHBondContact O-CG 3.28Å; R190-E194 PolarHBondContact O-N 3.27Å; L191-E194 PolarHBondContact O-N 3.36Å; E194-H197 WeakPolarHBondContact O-CB 3.49Å; E194-H197 PolarHBondContact O-N 3.48Å; E194-I198 VanDerWaalsContact O-CG1 3.3Å; E194-I198 WeakPolarHBondContact O-CG1 3.3Å; E194-I198 PolarHBondContact O-N 3.36Å |
| 195 | L | 82.4 | Confident | 79.3 | Confident | 83 Ų | 83 | 108 Ų | 108 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 176.9 | -177.3 | 64.4 | 0 | 0 | 0 | 110.9 | L191 N192 H197 I198 L199 | L191-L195 WeakPolarHBondContact O-CB 3.47Å; L191-L195 PolarHBondContact O-N 3.46Å; N192-L195 PolarHBondContact O-N 3.39Å; L195-H197 PolarHBondContact O-N 3.23Å; L195-I198 PolarHBondContact O-N 2.92Å; L195-I198 VanDerWaalsContact O-N 3.13Å; L195-L199 HydrophobicContact CD1-CD1 3.77Å; L195-L199 HydrophobicContact CD1-CG 3.97Å; L195-L199 HydrophobicContact CD2-CD1 4.24Å; L195-L199 HydrophobicContact CG-CD1 3.67Å; L195-L199 HydrophobicContact CG-CG 4.18Å; L195-L199 VanDerWaalsContact O-CB 3.28Å; L195-L199 WeakPolarHBondContact O-CB 3.02Å; L195-L199 VanDerWaalsContact O-CG 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.38Å; L195-L199 PolarHBondContact O-N 2.9Å |
| 196 | N | 76.4 | Confident | 77.4 | Confident | 86 Ų | 86 | 108.8 Ų | 108.8 | 46% | 0.46 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.6 | -26.6 | 173.1 | -72.1 | -40.3 | 0 | 0 | 0 | 111.9 | N192 V193 G200 | N192-N196 WeakPolarHBondContact O-CB 3.26Å; N192-N196 PolarHBondContact O-N 3.38Å; N192-N196 PolarHBondContact O-ND2 3.25Å; N192-N196 PolarHBondContact OD1-ND2 2.89Å; V193-N196 CarbonylContact O-C 3.6Å; V193-N196 PolarHBondContact O-N 3.45Å; N196-G200 WeakPolarHBondContact O-CA 3.47Å; N196-G200 PolarHBondContact O-N 3.35Å |
| 197 | H | 77.6 | Confident | 75.7 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.3 | -39 | 169.8 | -173.2 | 79.8 | 0 | 0 | 0 | 111.2 | V193 E194 L195 N201 | V193-H197 VanDerWaalsContact O-CB 3.31Å; V193-H197 WeakPolarHBondContact O-CB 3.43Å; V193-H197 PolarHBondContact O-N 2.96Å; E194-H197 WeakPolarHBondContact O-CB 3.49Å; E194-H197 PolarHBondContact O-N 3.48Å; L195-H197 PolarHBondContact O-N 3.23Å; H197-N201 PolarHBondContact CE1-ND2 3.23Å; H197-N201 PolarHBondContact ND1-ND2 3.49Å; H197-N201 WeakPolarHBondContact O-CA 3.36Å; H197-N201 WeakPolarHBondContact O-CB 3.41Å; H197-N201 PolarHBondContact O-N 3.43Å |
| 198 | I | 76.8 | Confident | 74.5 | Confident | 108 Ų | 108 | 107.5 Ų | 107.5 | 55% | 0.554 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.4 | -43.2 | 176.4 | -67 | 163.1 | 0 | 0 | 0 | 111.3 | E194 L195 | E194-I198 VanDerWaalsContact O-CG1 3.3Å; E194-I198 WeakPolarHBondContact O-CG1 3.3Å; E194-I198 PolarHBondContact O-N 3.36Å; L195-I198 PolarHBondContact O-N 2.92Å; L195-I198 VanDerWaalsContact O-N 3.13Å |
| 199 | L | 70.4 | Confident | 73.7 | Confident | 123 Ų | 123 | 109.4 Ų | 109.4 | 64% | 0.644 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -83.3 | -36.8 | -176.5 | -65.3 | 179.4 | 0 | 0 | 0 | 112.6 | L195 | L195-L199 HydrophobicContact CD1-CD1 3.77Å; L195-L199 HydrophobicContact CD1-CG 3.97Å; L195-L199 HydrophobicContact CD2-CD1 4.24Å; L195-L199 HydrophobicContact CG-CD1 3.67Å; L195-L199 HydrophobicContact CG-CG 4.18Å; L195-L199 VanDerWaalsContact O-CB 3.28Å; L195-L199 WeakPolarHBondContact O-CB 3.02Å; L195-L199 VanDerWaalsContact O-CG 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.38Å; L195-L199 PolarHBondContact O-N 2.9Å |
| 200 | G | 64.1 | Low | 73.2 | Confident | 44 Ų | 44 | 111 Ų | 111 | 45% | 0.454 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -97.5 | 0.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N196 | N196-G200 WeakPolarHBondContact O-CA 3.47Å; N196-G200 PolarHBondContact O-N 3.35Å |
| 201 | N | 50.6 | Low | 72.6 | Confident | 66 Ų | 66 | 106.4 Ų | 106.4 | 35% | 0.353 | 56% | 0.561 | S | S | . | * | trans | -126.3 | 55.6 | 179.2 | -134.4 | 5.9 | 0 | 0 | 0 | 113.7 | H197 | H197-N201 PolarHBondContact CE1-ND2 3.23Å; H197-N201 PolarHBondContact ND1-ND2 3.49Å; H197-N201 WeakPolarHBondContact O-CA 3.36Å; H197-N201 WeakPolarHBondContact O-CB 3.41Å; H197-N201 PolarHBondContact O-N 3.43Å | ||
| 202 | H | 55.4 | Low | 72.2 | Confident | 143 Ų | 143 | 105 Ų | 105 | 66% | 0.662 | 55% | 0.553 | S | S | * | * | trans | -96.7 | 16.2 | 145.6 | -72.6 | -41.3 | 0 | 0 | 0 | 113 | S204 R205 I206 | H202-S204 VanDerWaalsContact C-N 3.33Å; H202-S204 PolarHBondContact O-N 3.43Å; H202-R205 CarbonylContact O-C 3.56Å; H202-I206 PolarHBondContact O-N 2.73Å | ||
| 203 | E | 57.7 | Low | 72.4 | Confident | 170 Ų | 170 | 104.7 Ų | 104.7 | 79% | 0.794 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 13.5 | 174.8 | -68.7 | -178.6 | 168.9 | 0 | 0 | 114.4 | ||
| 204 | S | 57.4 | Low | 72.6 | Confident | 99 Ų | 99 | 105.6 Ų | 105.6 | 69% | 0.692 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | 18 | 163.6 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | H202 | H202-S204 VanDerWaalsContact C-N 3.33Å; H202-S204 PolarHBondContact O-N 3.43Å |
| 205 | R | 58.7 | Low | 72.9 | Confident | 205 Ų | 205 | 105.4 Ų | 105.4 | 77% | 0.774 | 56% | 0.555 | S | S | * | * | trans | -157.9 | 77.3 | 149.1 | -158 | 174.1 | -83 | 177.8 | -5.8 | 107.4 | H202 I207 | H202-R205 CarbonylContact O-C 3.56Å; R205-I207 VanDerWaalsContact C-N 3.28Å; R205-I207 PolarHBondContact O-N 3.27Å | ||
| 206 | I | 57.6 | Low | 73.4 | Confident | 141 Ų | 141 | 105.9 Ų | 105.9 | 72% | 0.723 | 56% | 0.558 | S | S | * | * | trans | -51.5 | 109.7 | 153.2 | -61.9 | 170.8 | 0 | 0 | 0 | 103.9 | H202 D208 | H202-I206 PolarHBondContact O-N 2.73Å; I206-D208 PolarHBondContact O-N 3.39Å | ||
| 207 | I | 61.6 | Low | 74.3 | Confident | 106 Ų | 106 | 109.5 Ų | 109.5 | 54% | 0.544 | 57% | 0.565 | S | S | . | * | trans | -64 | 103.2 | 168 | -68.1 | 174 | 0 | 0 | 0 | 103.5 | R205 V209 L212 | R205-I207 VanDerWaalsContact C-N 3.28Å; R205-I207 PolarHBondContact O-N 3.27Å; I207-V209 HydrophobicContact CG2-CG2 4.42Å; I207-V209 WeakPolarHBondContact O-CG2 3.32Å; I207-V209 PolarHBondContact O-N 2.92Å; I207-L212 HydrophobicContact CG2-CD1 3.25Å; I207-L212 HydrophobicContact CG2-CG 4.03Å | ||
| 208 | D | 73.5 | Confident | 75.2 | Confident | 90 Ų | 90 | 111.5 Ų | 111.5 | 48% | 0.481 | 57% | 0.57 | S | S | . | * | trans | -64.5 | 90.9 | 170.6 | -178.9 | -10.3 | 0 | 0 | 0 | 106.3 | I206 D210 A211 L212 | I206-D208 PolarHBondContact O-N 3.39Å; D208-D210 PolarHBondContact O-N 3.48Å; D208-D210 WeakPolarHBondContact OD1-CA 3.33Å; D208-D210 WeakPolarHBondContact OD1-CB 3.45Å; D208-D210 PolarHBondContact OD1-N 3.48Å; D208-D210 VanDerWaalsContact OD1-N 3.11Å; D208-A211 HydrophobicContact CB-CB 3.73Å; D208-A211 VanDerWaalsContact CG-CB 3.42Å; D208-A211 WeakPolarHBondContact O-CB 3.45Å; D208-A211 PolarHBondContact O-N 3.38Å; D208-A211 PolarHBondContact OD1-N 3.01Å; D208-A211 WeakPolarHBondContact OD2-CB 3.32Å; D208-L212 PolarHBondContact O-N 3.27Å | ||
| 209 | V | 79.4 | Confident | 76.2 | Confident | 93 Ų | 93 | 110.8 Ų | 110.8 | 56% | 0.564 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.7 | -32.2 | -178.8 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | I207 L212 C213 | I207-V209 HydrophobicContact CG2-CG2 4.42Å; I207-V209 WeakPolarHBondContact O-CG2 3.32Å; I207-V209 PolarHBondContact O-N 2.92Å; V209-L212 PolarHBondContact O-N 2.93Å; V209-C213 VanDerWaalsContact O-CB 3.23Å; V209-C213 WeakPolarHBondContact O-CB 3.43Å; V209-C213 PolarHBondContact O-N 3.06Å; V209-C213 PolarHBondContact O-SG 2.68Å |
| 210 | D | 83.8 | Confident | 77.4 | Confident | 122 Ų | 122 | 110.7 Ų | 110.7 | 65% | 0.652 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70 | -42.9 | 175.9 | -67 | -30.5 | 0 | 0 | 0 | 111.3 | D208 L212 C213 M214 | D208-D210 PolarHBondContact O-N 3.48Å; D208-D210 WeakPolarHBondContact OD1-CA 3.33Å; D208-D210 WeakPolarHBondContact OD1-CB 3.45Å; D208-D210 PolarHBondContact OD1-N 3.48Å; D208-D210 VanDerWaalsContact OD1-N 3.11Å; D210-L212 PolarHBondContact O-N 3.32Å; D210-C213 PolarHBondContact O-N 2.92Å; D210-M214 WeakPolarHBondContact O-CB 3.43Å; D210-M214 VanDerWaalsContact O-CG 3.28Å; D210-M214 WeakPolarHBondContact O-CG 3.45Å; D210-M214 PolarHBondContact O-N 3.49Å |
| 211 | A | 85.1 | Confident | 79 | Confident | 40 Ų | 40 | 112.8 Ų | 112.8 | 33% | 0.331 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.9 | -44 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D208 M214 E215 | D208-A211 HydrophobicContact CB-CB 3.73Å; D208-A211 VanDerWaalsContact CG-CB 3.42Å; D208-A211 WeakPolarHBondContact O-CB 3.45Å; D208-A211 PolarHBondContact O-N 3.38Å; D208-A211 PolarHBondContact OD1-N 3.01Å; D208-A211 WeakPolarHBondContact OD2-CB 3.32Å; A211-M214 PolarHBondContact O-N 3.12Å; A211-E215 WeakPolarHBondContact O-CB 3.3Å; A211-E215 PolarHBondContact O-N 2.96Å |
| 212 | L | 85.8 | Confident | 81.2 | Confident | 92 Ų | 92 | 114.9 Ų | 114.9 | 48% | 0.482 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.6 | -39.4 | 175 | -73.5 | -170.5 | 0 | 0 | 0 | 112.1 | I207 D208 V209 D210 M214 E215 N216 | I207-L212 HydrophobicContact CG2-CD1 3.25Å; I207-L212 HydrophobicContact CG2-CG 4.03Å; D208-L212 PolarHBondContact O-N 3.27Å; V209-L212 PolarHBondContact O-N 2.93Å; D210-L212 PolarHBondContact O-N 3.32Å; L212-M214 VanDerWaalsContact C-N 3.34Å; L212-E215 PolarHBondContact O-N 3Å; L212-N216 WeakPolarHBondContact O-CB 3.44Å; L212-N216 PolarHBondContact O-N 2.68Å |
| 213 | C | 91.9 | Very high | 83.1 | Confident | 74 Ų | 74 | 113.5 Ų | 113.5 | 50% | 0.5 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.1 | -37.6 | 175.6 | -73.9 | 0 | 0 | 0 | 0 | 111.4 | V209 D210 R217 | V209-C213 VanDerWaalsContact O-CB 3.23Å; V209-C213 WeakPolarHBondContact O-CB 3.43Å; V209-C213 PolarHBondContact O-N 3.06Å; V209-C213 PolarHBondContact O-SG 2.68Å; D210-C213 PolarHBondContact O-N 2.92Å; C213-R217 VanDerWaalsContact O-CB 3.26Å; C213-R217 WeakPolarHBondContact O-CB 3.48Å; C213-R217 PolarHBondContact O-N 3.36Å |
| 214 | M | 91.9 | Very high | 85 | Confident | 114 Ų | 114 | 108 Ų | 108 | 56% | 0.562 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.1 | -43.2 | 173.8 | -73.7 | -157.7 | -46.9 | 0 | 0 | 112.3 | D210 A211 L212 R217 Y218 | D210-M214 WeakPolarHBondContact O-CB 3.43Å; D210-M214 VanDerWaalsContact O-CG 3.28Å; D210-M214 WeakPolarHBondContact O-CG 3.45Å; D210-M214 PolarHBondContact O-N 3.49Å; A211-M214 PolarHBondContact O-N 3.12Å; L212-M214 VanDerWaalsContact C-N 3.34Å; M214-R217 PolarHBondContact O-N 3.23Å; M214-Y218 VanDerWaalsContact O-CB 3.27Å; M214-Y218 WeakPolarHBondContact O-CB 3.35Å; M214-Y218 PolarHBondContact O-N 3.24Å |
| 215 | E | 93.1 | Very high | 86.8 | Confident | 109 Ų | 109 | 107.8 Ų | 107.8 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 175.7 | -177.1 | 176.4 | -170.5 | 0 | 0 | 110.5 | A211 L212 R217 Y218 L219 | A211-E215 WeakPolarHBondContact O-CB 3.3Å; A211-E215 PolarHBondContact O-N 2.96Å; L212-E215 PolarHBondContact O-N 3Å; E215-R217 VanDerWaalsContact C-N 3.34Å; E215-R217 PolarHBondContact O-N 3.07Å; E215-Y218 PolarHBondContact O-N 3.3Å; E215-L219 HydrophobicContact CG-CD1 3.95Å; E215-L219 HydrophobicContact CG-CG 4.29Å; E215-L219 WeakPolarHBondContact O-CB 3.36Å; E215-L219 VanDerWaalsContact O-CG 3.28Å; E215-L219 WeakPolarHBondContact O-CG 3.35Å; E215-L219 PolarHBondContact O-N 3.42Å |
| 216 | N | 92.4 | Very high | 88.6 | Confident | 92 Ų | 92 | 101.7 Ų | 101.7 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 178.4 | -160.5 | -61.6 | 0 | 0 | 0 | 111.4 | L212 L219 H220 | L212-N216 WeakPolarHBondContact O-CB 3.44Å; L212-N216 PolarHBondContact O-N 2.68Å; N216-L219 PolarHBondContact O-N 3.48Å; N216-H220 PolarHBondContact O-N 2.98Å; N216-H220 PolarHBondContact O-ND1 3.36Å; N216-H220 PolarHBondContact OD1-CE1 3.37Å; N216-H220 PolarHBondContact OD1-ND1 2.94Å |
| 217 | R | 95.6 | Very high | 90.5 | Very high | 162 Ų | 162 | 99.8 Ų | 99.8 | 61% | 0.611 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.6 | -45.9 | 173.7 | -173.5 | 173.2 | 67.6 | -169.2 | -1.6 | 111.8 | C213 M214 E215 L219 H220 D221 | C213-R217 VanDerWaalsContact O-CB 3.26Å; C213-R217 WeakPolarHBondContact O-CB 3.48Å; C213-R217 PolarHBondContact O-N 3.36Å; M214-R217 PolarHBondContact O-N 3.23Å; E215-R217 VanDerWaalsContact C-N 3.34Å; E215-R217 PolarHBondContact O-N 3.07Å; R217-L219 PolarHBondContact O-N 3.44Å; R217-H220 PolarHBondContact O-N 3.41Å; R217-D221 PolarHBondContact O-N 2.92Å |
| 218 | Y | 96.5 | Very high | 92.1 | Very high | 149 Ų | 149 | 100.6 Ų | 100.6 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 178 | 173.3 | -99.2 | 0 | 0 | 0 | 112.4 | M214 E215 D221 R222 | M214-Y218 VanDerWaalsContact O-CB 3.27Å; M214-Y218 WeakPolarHBondContact O-CB 3.35Å; M214-Y218 PolarHBondContact O-N 3.24Å; E215-Y218 PolarHBondContact O-N 3.3Å; Y218-D221 PolarHBondContact O-N 3.13Å; Y218-R222 VanDerWaalsContact O-CB 3.3Å; Y218-R222 WeakPolarHBondContact O-CB 3.45Å; Y218-R222 PolarHBondContact O-N 2.97Å |
| 219 | L | 97.1 | Very high | 93.2 | Very high | 92 Ų | 92 | 101.3 Ų | 101.3 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 177.6 | -70.7 | 174.7 | 0 | 0 | 0 | 111.6 | E215 N216 R217 R222 L223 | E215-L219 HydrophobicContact CG-CD1 3.95Å; E215-L219 HydrophobicContact CG-CG 4.29Å; E215-L219 WeakPolarHBondContact O-CB 3.36Å; E215-L219 VanDerWaalsContact O-CG 3.28Å; E215-L219 WeakPolarHBondContact O-CG 3.35Å; E215-L219 PolarHBondContact O-N 3.42Å; N216-L219 PolarHBondContact O-N 3.48Å; R217-L219 PolarHBondContact O-N 3.44Å; L219-R222 PolarHBondContact O-N 3.41Å; L219-L223 VanDerWaalsContact O-CB 3.28Å; L219-L223 WeakPolarHBondContact O-CB 3.47Å; L219-L223 PolarHBondContact O-N 3.41Å |
| 220 | H | 96.9 | Very high | 94 | Very high | 122 Ų | 122 | 100 Ų | 100 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -47 | 172.7 | -83.9 | 84.3 | 0 | 0 | 0 | 112 | N216 R217 R222 L223 S224 | N216-H220 PolarHBondContact O-N 2.98Å; N216-H220 PolarHBondContact O-ND1 3.36Å; N216-H220 PolarHBondContact OD1-CE1 3.37Å; N216-H220 PolarHBondContact OD1-ND1 2.94Å; R217-H220 PolarHBondContact O-N 3.41Å; H220-R222 VanDerWaalsContact C-N 3.3Å; H220-R222 PolarHBondContact O-N 3.49Å; H220-L223 PolarHBondContact O-N 3.01Å; H220-S224 WeakPolarHBondContact O-CB 3.26Å; H220-S224 PolarHBondContact O-N 3.31Å |
| 221 | D | 96.4 | Very high | 94.5 | Very high | 87 Ų | 87 | 98 Ų | 98 | 47% | 0.465 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 177 | -70 | -21.4 | 0 | 0 | 0 | 110.9 | R217 Y218 S224 Q225 | R217-D221 PolarHBondContact O-N 2.92Å; Y218-D221 PolarHBondContact O-N 3.13Å; D221-S224 PolarHBondContact O-N 2.98Å; D221-Q225 WeakPolarHBondContact O-CG 3.46Å; D221-Q225 PolarHBondContact O-N 3.24Å |
| 222 | R | 97.3 | Very high | 95.1 | Very high | 110 Ų | 110 | 101.1 Ų | 101.1 | 42% | 0.415 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 177.2 | -175 | 58.3 | 174.7 | 173.2 | 3 | 112.2 | Y218 L219 H220 Q225 L226 | Y218-R222 VanDerWaalsContact O-CB 3.3Å; Y218-R222 WeakPolarHBondContact O-CB 3.45Å; Y218-R222 PolarHBondContact O-N 2.97Å; L219-R222 PolarHBondContact O-N 3.41Å; H220-R222 VanDerWaalsContact C-N 3.3Å; H220-R222 PolarHBondContact O-N 3.49Å; R222-Q225 PolarHBondContact O-N 3.34Å; R222-L226 HydrophobicContact CG-CD1 4.5Å; R222-L226 WeakPolarHBondContact O-CG 3.31Å; R222-L226 PolarHBondContact O-N 2.89Å |
| 223 | L | 96.1 | Very high | 95.5 | Very high | 114 Ų | 114 | 101.8 Ų | 101.8 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.8 | -42.2 | 175.7 | -172.2 | 153.7 | 0 | 0 | 0 | 110.7 | L219 H220 L226 Q227 | L219-L223 VanDerWaalsContact O-CB 3.28Å; L219-L223 WeakPolarHBondContact O-CB 3.47Å; L219-L223 PolarHBondContact O-N 3.41Å; H220-L223 PolarHBondContact O-N 3.01Å; L223-L226 PolarHBondContact O-N 3.43Å; L223-Q227 WeakPolarHBondContact O-CB 3.38Å; L223-Q227 PolarHBondContact O-N 3.37Å |
| 224 | S | 97.1 | Very high | 95.7 | Very high | 55 Ų | 55 | 104.1 Ų | 104.1 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 176 | -165.9 | 0 | 0 | 0 | 0 | 111.6 | H220 D221 L226 Q227 E228 | H220-S224 WeakPolarHBondContact O-CB 3.26Å; H220-S224 PolarHBondContact O-N 3.31Å; D221-S224 PolarHBondContact O-N 2.98Å; S224-L226 PolarHBondContact O-N 2.88Å; S224-Q227 WeakPolarHBondContact O-CB 3.34Å; S224-Q227 PolarHBondContact O-N 3.24Å; S224-E228 WeakPolarHBondContact O-CG 3.37Å; S224-E228 PolarHBondContact O-N 3.46Å |
| 225 | Q | 95.7 | Very high | 95.9 | Very high | 94 Ų | 94 | 101.1 Ų | 101.1 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 175.7 | -72.8 | 170.6 | 9.9 | 0 | 0 | 112 | D221 R222 Q227 E228 E229 | D221-Q225 WeakPolarHBondContact O-CG 3.46Å; D221-Q225 PolarHBondContact O-N 3.24Å; R222-Q225 PolarHBondContact O-N 3.34Å; Q225-Q227 VanDerWaalsContact C-N 3.28Å; Q225-Q227 PolarHBondContact O-N 3.3Å; Q225-E228 WeakPolarHBondContact O-CB 3.49Å; Q225-E228 PolarHBondContact O-N 3.15Å; Q225-E229 WeakPolarHBondContact O-CG 3.42Å; Q225-E229 PolarHBondContact O-N 3.29Å |
| 226 | L | 96.7 | Very high | 96 | Very high | 78 Ų | 78 | 98.3 Ų | 98.3 | 41% | 0.408 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 177.4 | -73.5 | 172.9 | 0 | 0 | 0 | 111.8 | R222 L223 S224 E229 V230 | R222-L226 HydrophobicContact CG-CD1 4.5Å; R222-L226 WeakPolarHBondContact O-CG 3.31Å; R222-L226 PolarHBondContact O-N 2.89Å; L223-L226 PolarHBondContact O-N 3.43Å; S224-L226 PolarHBondContact O-N 2.88Å; L226-E229 PolarHBondContact O-N 2.9Å; L226-V230 WeakPolarHBondContact O-CB 3.37Å; L226-V230 VanDerWaalsContact O-CG2 3.25Å; L226-V230 WeakPolarHBondContact O-CG2 3.43Å; L226-V230 PolarHBondContact O-N 3.3Å |
| 227 | Q | 96.8 | Very high | 96.1 | Very high | 100 Ų | 100 | 99 Ų | 99 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 176.2 | -168.5 | 70 | 6.6 | 0 | 0 | 111.4 | L223 S224 Q225 V230 N231 | L223-Q227 WeakPolarHBondContact O-CB 3.38Å; L223-Q227 PolarHBondContact O-N 3.37Å; S224-Q227 WeakPolarHBondContact O-CB 3.34Å; S224-Q227 PolarHBondContact O-N 3.24Å; Q225-Q227 VanDerWaalsContact C-N 3.28Å; Q225-Q227 PolarHBondContact O-N 3.3Å; Q227-V230 PolarHBondContact O-N 2.8Å; Q227-N231 WeakPolarHBondContact O-CB 3.3Å; Q227-N231 PolarHBondContact O-N 3.49Å; Q227-N231 PolarHBondContact O-ND2 3.36Å; Q227-N231 VanDerWaalsContact O-ND2 3.13Å |
| 228 | E | 96.1 | Very high | 96.1 | Very high | 123 Ų | 123 | 97.6 Ų | 97.6 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 173.8 | -72.3 | 171.8 | -162.4 | 0 | 0 | 112 | S224 Q225 V230 N231 L232 | S224-E228 WeakPolarHBondContact O-CG 3.37Å; S224-E228 PolarHBondContact O-N 3.46Å; Q225-E228 WeakPolarHBondContact O-CB 3.49Å; Q225-E228 PolarHBondContact O-N 3.15Å; E228-V230 PolarHBondContact O-N 3.14Å; E228-N231 PolarHBondContact O-N 3.34Å; E228-L232 WeakPolarHBondContact O-CB 3.4Å; E228-L232 PolarHBondContact O-N 3.04Å |
| 229 | E | 94.9 | Very high | 95.9 | Very high | 106 Ų | 106 | 96.3 Ų | 96.3 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.2 | -73.2 | -179.1 | 177.7 | 0 | 0 | 111.7 | Q225 L226 N231 L232 L233 | Q225-E229 WeakPolarHBondContact O-CG 3.42Å; Q225-E229 PolarHBondContact O-N 3.29Å; L226-E229 PolarHBondContact O-N 2.9Å; E229-N231 VanDerWaalsContact C-N 3.32Å; E229-N231 PolarHBondContact O-N 2.95Å; E229-L232 PolarHBondContact O-N 3.39Å; E229-L233 WeakPolarHBondContact O-CB 3.38Å; E229-L233 WeakPolarHBondContact O-CD1 3.42Å; E229-L233 PolarHBondContact O-N 3.47Å |
| 230 | V | 96.8 | Very high | 95.8 | Very high | 64 Ų | 64 | 100 Ų | 100 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.9 | 166 | 0 | 0 | 0 | 0 | 110.8 | L226 Q227 E228 L233 K234 | L226-V230 WeakPolarHBondContact O-CB 3.37Å; L226-V230 VanDerWaalsContact O-CG2 3.25Å; L226-V230 WeakPolarHBondContact O-CG2 3.43Å; L226-V230 PolarHBondContact O-N 3.3Å; Q227-V230 PolarHBondContact O-N 2.8Å; E228-V230 PolarHBondContact O-N 3.14Å; V230-L233 PolarHBondContact O-N 2.79Å; V230-K234 HydrophobicContact CG1-CD 4.05Å; V230-K234 HydrophobicContact CG1-CG 4.45Å; V230-K234 WeakPolarHBondContact O-CB 3.29Å; V230-K234 VanDerWaalsContact O-CG 3.26Å; V230-K234 WeakPolarHBondContact O-CG 3.3Å; V230-K234 PolarHBondContact O-N 3.14Å |
| 231 | N | 95.4 | Very high | 95.7 | Very high | 82 Ų | 82 | 100.9 Ų | 100.9 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 177.6 | -71.8 | -26 | 0 | 0 | 0 | 111.7 | Q227 E228 E229 K234 S235 | Q227-N231 WeakPolarHBondContact O-CB 3.3Å; Q227-N231 PolarHBondContact O-N 3.49Å; Q227-N231 PolarHBondContact O-ND2 3.36Å; Q227-N231 VanDerWaalsContact O-ND2 3.13Å; E228-N231 PolarHBondContact O-N 3.34Å; E229-N231 VanDerWaalsContact C-N 3.32Å; E229-N231 PolarHBondContact O-N 2.95Å; N231-K234 PolarHBondContact O-N 3.42Å; N231-S235 WeakPolarHBondContact O-CB 3.22Å; N231-S235 PolarHBondContact O-N 2.85Å |
| 232 | L | 96.1 | Very high | 95.4 | Very high | 104 Ų | 104 | 99.4 Ų | 99.4 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 174.8 | -170 | 70.9 | 0 | 0 | 0 | 111 | E228 E229 S235 N236 | E228-L232 WeakPolarHBondContact O-CB 3.4Å; E228-L232 PolarHBondContact O-N 3.04Å; E229-L232 PolarHBondContact O-N 3.39Å; L232-S235 WeakPolarHBondContact O-CB 3.18Å; L232-S235 PolarHBondContact O-N 3.13Å; L232-N236 WeakPolarHBondContact O-CB 3.39Å; L232-N236 VanDerWaalsContact O-CG 3.25Å; L232-N236 PolarHBondContact O-N 2.96Å |
| 233 | L | 95.1 | Very high | 94.9 | Very high | 107 Ų | 107 | 96.7 Ų | 96.7 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 174.6 | -104.6 | 73.7 | 0 | 0 | 0 | 111.5 | E229 V230 S235 N236 I237 | E229-L233 WeakPolarHBondContact O-CB 3.38Å; E229-L233 WeakPolarHBondContact O-CD1 3.42Å; E229-L233 PolarHBondContact O-N 3.47Å; V230-L233 PolarHBondContact O-N 2.79Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 2.93Å; L233-N236 PolarHBondContact O-N 2.93Å; L233-I237 WeakPolarHBondContact O-CB 3.25Å; L233-I237 VanDerWaalsContact O-CG1 3.24Å; L233-I237 WeakPolarHBondContact O-CG1 3.48Å; L233-I237 PolarHBondContact O-N 3.44Å |
| 234 | K | 96.4 | Very high | 94.3 | Very high | 123 Ų | 123 | 96.4 Ų | 96.4 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | 175 | -77.5 | 172 | -178.9 | 170.8 | 0 | 111.1 | V230 N231 M238 | V230-K234 HydrophobicContact CG1-CD 4.05Å; V230-K234 HydrophobicContact CG1-CG 4.45Å; V230-K234 WeakPolarHBondContact O-CB 3.29Å; V230-K234 VanDerWaalsContact O-CG 3.26Å; V230-K234 WeakPolarHBondContact O-CG 3.3Å; V230-K234 PolarHBondContact O-N 3.14Å; N231-K234 PolarHBondContact O-N 3.42Å; K234-M238 VanDerWaalsContact O-CB 3.31Å; K234-M238 WeakPolarHBondContact O-CB 3.4Å; K234-M238 PolarHBondContact O-N 3.47Å |
| 235 | S | 94.8 | Very high | 93.6 | Very high | 51 Ų | 51 | 97.1 Ų | 97.1 | 36% | 0.357 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 175 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | N231 L232 L233 M238 K239 | N231-S235 WeakPolarHBondContact O-CB 3.22Å; N231-S235 PolarHBondContact O-N 2.85Å; L232-S235 WeakPolarHBondContact O-CB 3.18Å; L232-S235 PolarHBondContact O-N 3.13Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 2.93Å; S235-M238 PolarHBondContact O-N 2.84Å; S235-K239 VanDerWaalsContact O-CG 3.27Å; S235-K239 WeakPolarHBondContact O-CG 3.37Å; S235-K239 PolarHBondContact O-N 3.45Å |
| 236 | N | 95.4 | Very high | 92.7 | Very high | 50 Ų | 50 | 101.1 Ų | 101.1 | 27% | 0.267 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 178 | -72.7 | -14.2 | 0 | 0 | 0 | 112.2 | L232 L233 M238 K239 Y240 | L232-N236 WeakPolarHBondContact O-CB 3.39Å; L232-N236 VanDerWaalsContact O-CG 3.25Å; L232-N236 PolarHBondContact O-N 2.96Å; L233-N236 PolarHBondContact O-N 2.93Å; N236-M238 VanDerWaalsContact C-N 3.29Å; N236-M238 PolarHBondContact O-N 3.46Å; N236-K239 WeakPolarHBondContact O-CB 3.37Å; N236-K239 PolarHBondContact O-N 3.44Å; N236-Y240 HydrophobicContact CB-CE2 4.25Å; N236-Y240 WeakPolarHBondContact O-CD2 3.42Å; N236-Y240 PolarHBondContact O-N 2.9Å |
| 237 | I | 95.4 | Very high | 91.6 | Very high | 107 Ų | 107 | 106 Ų | 106 | 55% | 0.549 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 172.8 | -70.1 | 166.4 | 0 | 0 | 0 | 109.8 | L233 Y240 K241 | L233-I237 WeakPolarHBondContact O-CB 3.25Å; L233-I237 VanDerWaalsContact O-CG1 3.24Å; L233-I237 WeakPolarHBondContact O-CG1 3.48Å; L233-I237 PolarHBondContact O-N 3.44Å; I237-Y240 PolarHBondContact O-N 3.21Å; I237-K241 VanDerWaalsContact O-CB 3.23Å; I237-K241 WeakPolarHBondContact O-CB 3.46Å; I237-K241 PolarHBondContact O-N 3.44Å |
| 238 | M | 94.3 | Very high | 90.4 | Very high | 132 Ų | 132 | 107.2 Ų | 107.2 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 177.2 | -173.5 | 166.2 | -74.2 | 0 | 0 | 111.9 | K234 S235 N236 T242 | K234-M238 VanDerWaalsContact O-CB 3.31Å; K234-M238 WeakPolarHBondContact O-CB 3.4Å; K234-M238 PolarHBondContact O-N 3.47Å; S235-M238 PolarHBondContact O-N 2.84Å; N236-M238 VanDerWaalsContact C-N 3.29Å; N236-M238 PolarHBondContact O-N 3.46Å; M238-T242 WeakPolarHBondContact O-CB 3.36Å; M238-T242 PolarHBondContact O-N 2.94Å; M238-T242 PolarHBondContact O-OG1 3.47Å |
| 239 | K | 93.9 | Very high | 88.6 | Confident | 121 Ų | 121 | 106.2 Ų | 106.2 | 53% | 0.526 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 173.1 | -71.9 | 168.4 | -172.4 | 172.5 | 0 | 111.2 | S235 N236 T242 A243 | S235-K239 VanDerWaalsContact O-CG 3.27Å; S235-K239 WeakPolarHBondContact O-CG 3.37Å; S235-K239 PolarHBondContact O-N 3.45Å; N236-K239 WeakPolarHBondContact O-CB 3.37Å; N236-K239 PolarHBondContact O-N 3.44Å; K239-T242 PolarHBondContact O-N 3.04Å; K239-A243 WeakPolarHBondContact O-CB 3.36Å; K239-A243 PolarHBondContact O-N 2.94Å |
| 240 | Y | 94.9 | Very high | 86.7 | Confident | 170 Ų | 170 | 104.7 Ų | 104.7 | 67% | 0.667 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 178.6 | -68 | -47.3 | 0 | 0 | 0 | 112.6 | N236 I237 T242 A243 L244 | N236-Y240 HydrophobicContact CB-CE2 4.25Å; N236-Y240 WeakPolarHBondContact O-CD2 3.42Å; N236-Y240 PolarHBondContact O-N 2.9Å; I237-Y240 PolarHBondContact O-N 3.21Å; Y240-T242 VanDerWaalsContact C-N 3.3Å; Y240-T242 PolarHBondContact O-N 3.22Å; Y240-A243 PolarHBondContact O-N 3.44Å; Y240-L244 VanDerWaalsContact O-CB 3.22Å; Y240-L244 WeakPolarHBondContact O-CB 3.38Å; Y240-L244 PolarHBondContact O-N 2.92Å |
| 241 | K | 94 | Very high | 84.4 | Confident | 141 Ų | 141 | 106.2 Ų | 106.2 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.1 | -45.3 | 172.7 | -176.9 | 177.4 | 179.2 | 176.7 | 0 | 110.5 | I237 L244 E245 | I237-K241 VanDerWaalsContact O-CB 3.23Å; I237-K241 WeakPolarHBondContact O-CB 3.46Å; I237-K241 PolarHBondContact O-N 3.44Å; K241-L244 PolarHBondContact O-N 3.32Å; K241-E245 WeakPolarHBondContact O-CB 3.4Å; K241-E245 WeakPolarHBondContact O-CG 3.25Å; K241-E245 PolarHBondContact O-N 2.89Å |
| 242 | T | 90.6 | Very high | 82.3 | Confident | 55 Ų | 55 | 106 Ų | 106 | 34% | 0.337 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 177.5 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | M238 K239 Y240 R246 | M238-T242 WeakPolarHBondContact O-CB 3.36Å; M238-T242 PolarHBondContact O-N 2.94Å; M238-T242 PolarHBondContact O-OG1 3.47Å; K239-T242 PolarHBondContact O-N 3.04Å; Y240-T242 VanDerWaalsContact C-N 3.3Å; Y240-T242 PolarHBondContact O-N 3.22Å; T242-R246 WeakPolarHBondContact O-CB 3.47Å; T242-R246 VanDerWaalsContact O-CG 3.26Å; T242-R246 WeakPolarHBondContact O-CG 3.28Å; T242-R246 PolarHBondContact O-N 3.29Å |
| 243 | A | 87 | Confident | 80.1 | Confident | 53 Ų | 53 | 111.4 Ų | 111.4 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K239 Y240 R246 R247 | K239-A243 WeakPolarHBondContact O-CB 3.36Å; K239-A243 PolarHBondContact O-N 2.94Å; Y240-A243 PolarHBondContact O-N 3.44Å; A243-R246 PolarHBondContact O-N 2.96Å; A243-R247 WeakPolarHBondContact O-CB 3.2Å; A243-R247 PolarHBondContact O-N 3.32Å |
| 244 | L | 83.3 | Confident | 77.8 | Confident | 109 Ų | 109 | 109.4 Ų | 109.4 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.1 | -43.5 | 176.3 | -171.7 | 70.3 | 0 | 0 | 0 | 111.3 | Y240 K241 R247 K248 | Y240-L244 VanDerWaalsContact O-CB 3.22Å; Y240-L244 WeakPolarHBondContact O-CB 3.38Å; Y240-L244 PolarHBondContact O-N 2.92Å; K241-L244 PolarHBondContact O-N 3.32Å; L244-R247 CarbonylContact O-C 3.6Å; L244-R247 PolarHBondContact O-N 3.25Å; L244-K248 WeakPolarHBondContact O-CB 3.31Å; L244-K248 PolarHBondContact O-N 3.47Å |
| 245 | E | 82.7 | Confident | 75.5 | Confident | 70 Ų | 70 | 115.3 Ų | 115.3 | 33% | 0.327 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.2 | -43 | 172.8 | -72.9 | -61.3 | 156 | 0 | 0 | 110.8 | K241 R247 K248 N249 | K241-E245 WeakPolarHBondContact O-CB 3.4Å; K241-E245 WeakPolarHBondContact O-CG 3.25Å; K241-E245 PolarHBondContact O-N 2.89Å; E245-R247 VanDerWaalsContact C-N 3.31Å; E245-R247 PolarHBondContact O-N 2.86Å; E245-K248 VanDerWaalsContact CD-NZ 3.32Å; E245-K248 PolarHBondContact O-N 3.45Å; E245-K248 IonicContact OE1-NZ 3.05Å; E245-K248 PolarHBondContact OE1-NZ 2.9Å; E245-K248 VanDerWaalsContact OE2-CE 3.25Å; E245-K248 WeakPolarHBondContact OE2-CE 3.09Å; E245-K248 IonicContact OE2-NZ 2.77Å; E245-K248 PolarHBondContact OE2-NZ 3.36Å; E245-N249 VanDerWaalsContact O-CB 3.27Å; E245-N249 WeakPolarHBondContact O-CB 3.34Å; E245-N249 PolarHBondContact O-N 2.83Å; E245-N249 PolarHBondContact O-ND2 2.9Å; E245-N249 VanDerWaalsContact O-ND2 3.15Å; E245-N249 PolarHBondContact O-OD1 3.37Å; E245-N249 VanDerWaalsContact O-OD1 3.06Å |
| 246 | R | 76.2 | Confident | 72.8 | Confident | 178 Ų | 178 | 117.6 Ų | 117.6 | 67% | 0.672 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.6 | -40.3 | 172.4 | -75.4 | 176.4 | -172 | 154.1 | 2.8 | 112.5 | T242 A243 N249 S250 | T242-R246 WeakPolarHBondContact O-CB 3.47Å; T242-R246 VanDerWaalsContact O-CG 3.26Å; T242-R246 WeakPolarHBondContact O-CG 3.28Å; T242-R246 PolarHBondContact O-N 3.29Å; A243-R246 PolarHBondContact O-N 2.96Å; R246-N249 PolarHBondContact O-N 3.13Å; R246-S250 WeakPolarHBondContact O-CB 3.41Å; R246-S250 PolarHBondContact O-N 2.87Å; R246-S250 PolarHBondContact O-OG 3.16Å |
| 247 | R | 72.9 | Confident | 70.3 | Confident | 180 Ų | 180 | 122.9 Ų | 122.9 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.2 | -40.5 | 174.7 | -170.9 | -164.4 | -66.8 | -163.9 | -1.6 | 112.2 | A243 L244 E245 N249 S250 S251 | A243-R247 WeakPolarHBondContact O-CB 3.2Å; A243-R247 PolarHBondContact O-N 3.32Å; L244-R247 CarbonylContact O-C 3.6Å; L244-R247 PolarHBondContact O-N 3.25Å; E245-R247 VanDerWaalsContact C-N 3.31Å; E245-R247 PolarHBondContact O-N 2.86Å; R247-N249 VanDerWaalsContact C-N 3.28Å; R247-N249 PolarHBondContact O-N 2.88Å; R247-S250 WeakPolarHBondContact CA-OG 3.46Å; R247-S250 PolarHBondContact O-N 2.89Å; R247-S250 PolarHBondContact O-OG 3.08Å; R247-S250 VanDerWaalsContact O-OG 3.04Å; R247-S251 WeakPolarHBondContact O-CB 3.29Å; R247-S251 PolarHBondContact O-N 2.89Å |
| 248 | K | 72.4 | Confident | 67.6 | Low | 125 Ų | 125 | 122.7 Ų | 122.7 | 54% | 0.543 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.7 | -39.9 | 176.2 | -164.5 | 179 | 88.9 | -159 | 0 | 110.5 | L244 E245 A252 | L244-K248 WeakPolarHBondContact O-CB 3.31Å; L244-K248 PolarHBondContact O-N 3.47Å; E245-K248 VanDerWaalsContact CD-NZ 3.32Å; E245-K248 PolarHBondContact O-N 3.45Å; E245-K248 IonicContact OE1-NZ 3.05Å; E245-K248 PolarHBondContact OE1-NZ 2.9Å; E245-K248 VanDerWaalsContact OE2-CE 3.25Å; E245-K248 WeakPolarHBondContact OE2-CE 3.09Å; E245-K248 IonicContact OE2-NZ 2.77Å; E245-K248 PolarHBondContact OE2-NZ 3.36Å; K248-A252 PolarHBondContact O-N 3.48Å |
| 249 | N | 58.3 | Low | 65.3 | Low | 103 Ų | 103 | 122.4 Ų | 122.4 | 55% | 0.551 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.7 | -26.8 | -179.9 | -55.5 | -9.7 | 0 | 0 | 0 | 112.1 | E245 R246 R247 | E245-N249 VanDerWaalsContact O-CB 3.27Å; E245-N249 WeakPolarHBondContact O-CB 3.34Å; E245-N249 PolarHBondContact O-N 2.83Å; E245-N249 PolarHBondContact O-ND2 2.9Å; E245-N249 VanDerWaalsContact O-ND2 3.15Å; E245-N249 PolarHBondContact O-OD1 3.37Å; E245-N249 VanDerWaalsContact O-OD1 3.06Å; R246-N249 PolarHBondContact O-N 3.13Å; R247-N249 VanDerWaalsContact C-N 3.28Å; R247-N249 PolarHBondContact O-N 2.88Å |
| 250 | S | 55.2 | Low | 62.8 | Low | 73 Ų | 73 | 121.8 Ų | 121.8 | 51% | 0.51 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -82.5 | -27.8 | 171.8 | 73.8 | 0 | 0 | 0 | 0 | 113.2 | R246 R247 A252 Y253 | R246-S250 WeakPolarHBondContact O-CB 3.41Å; R246-S250 PolarHBondContact O-N 2.87Å; R246-S250 PolarHBondContact O-OG 3.16Å; R247-S250 WeakPolarHBondContact CA-OG 3.46Å; R247-S250 PolarHBondContact O-N 2.89Å; R247-S250 PolarHBondContact O-OG 3.08Å; R247-S250 VanDerWaalsContact O-OG 3.04Å; S250-A252 VanDerWaalsContact C-N 3.26Å; S250-A252 PolarHBondContact O-N 3.3Å; S250-Y253 PolarHBondContact O-N 3.45Å |
| 251 | S | 47.5 | Very low | 60.5 | Low | 96 Ų | 96 | 121.9 Ų | 121.9 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.2 | -22.6 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | R247 Y253 | R247-S251 WeakPolarHBondContact O-CB 3.29Å; R247-S251 PolarHBondContact O-N 2.89Å; S251-Y253 PolarHBondContact O-N 3.31Å |
| 252 | A | 51.3 | Low | 58.1 | Low | 77 Ų | 77 | 121.1 Ų | 121.1 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -11 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K248 S250 | K248-A252 PolarHBondContact O-N 3.48Å; S250-A252 VanDerWaalsContact C-N 3.26Å; S250-A252 PolarHBondContact O-N 3.3Å |
| 253 | Y | 51.3 | Low | 55.9 | Low | 218 Ų | 218 | 121.5 Ų | 121.5 | 86% | 0.855 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -132.6 | 99.3 | 174.3 | -94.7 | -92 | 0 | 0 | 0 | 110.6 | S250 S251 | S250-Y253 PolarHBondContact O-N 3.45Å; S251-Y253 PolarHBondContact O-N 3.31Å |
| 254 | G | 46.1 | Very low | 54.1 | Low | 65 Ų | 65 | 125.4 Ų | 125.4 | 67% | 0.67 | 69% | 0.69 | S | S | * | * | trans | 114.5 | 86.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S256 | G254-S256 PolarHBondContact O-N 2.9Å; G254-S256 VanDerWaalsContact O-N 3.15Å | ||
| 255 | R | 48.6 | Very low | 52.6 | Low | 248 Ų | 248 | 125.7 Ų | 125.7 | 94% | 0.936 | 69% | 0.691 | S | S | * | * | trans | -68.9 | 97.2 | 156 | -170.4 | 179.9 | -174.1 | 178 | 2.2 | 107.6 | ||||
| 256 | S | 37.9 | Very low | 51.4 | Low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | trans | -114.8 | 120.1 | 168.9 | 61.1 | 0 | 0 | 0 | 0 | 110 | G254 S258 | G254-S256 PolarHBondContact O-N 2.9Å; G254-S256 VanDerWaalsContact O-N 3.15Å; S256-S258 PolarHBondContact O-N 3.32Å; S256-S258 VanDerWaalsContact O-N 3.09Å | ||
| 257 | N | 41.9 | Very low | 50.3 | Low | 161 Ų | 161 | 120.4 Ų | 120.4 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | trans | -64.9 | 101.6 | 174.9 | -65.5 | -24.6 | 0 | 0 | 0 | 110 | ||||
| 258 | S | 39.7 | Very low | 49.3 | Very low | 102 Ų | 102 | 119.8 Ų | 119.8 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | trans | -144.7 | 131.8 | 153.4 | 57.4 | 0 | 0 | 0 | 0 | 109.1 | S256 | S256-S258 PolarHBondContact O-N 3.32Å; S256-S258 VanDerWaalsContact O-N 3.09Å | ||
| 259 | V | 46.5 | Very low | 48.6 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | -49.3 | 131.3 | -177.8 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | L261 | V259-L261 PolarHBondContact O-N 3.48Š| ||
| 260 | P | 40.9 | Very low | 48.6 | Very low | 107 Ų | 107 | 116.7 Ų | 116.7 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | trans | -72.9 | 97.8 | 176.8 | 28.9 | -30.3 | 0 | 0 | 0 | 109.4 | T262 | P260-T262 PolarHBondContact O-N 3.44Š| ||
| 261 | L | 45.5 | Very low | 48.7 | Very low | 173 Ų | 173 | 119.3 Ų | 119.3 | 91% | 0.906 | 69% | 0.69 | S | S | * | * | trans | -72.1 | 74.5 | 157.8 | -95.3 | 155.8 | 0 | 0 | 0 | 107.9 | V259 | V259-L261 PolarHBondContact O-N 3.48Š| ||
| 262 | T | 45.3 | Very low | 49 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 76% | 0.761 | 69% | 0.689 | S | S | * | * | trans | -130.1 | 25.8 | 170.2 | -10.9 | 0 | 0 | 0 | 0 | 110.6 | P260 V264 | P260-T262 PolarHBondContact O-N 3.44Å; T262-V264 PolarHBondContact O-N 2.88Å | ||
| 263 | G | 43.9 | Very low | 49.3 | Very low | 63 Ų | 63 | 124.3 Ų | 124.3 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | trans | -77.9 | 110.6 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | L265 | G263-L265 PolarHBondContact O-N 3.29Š| ||
| 264 | V | 49.5 | Very low | 49.7 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 82% | 0.824 | 69% | 0.685 | S | S | * | * | trans | -51.7 | 112.2 | 163.2 | 175.8 | 0 | 0 | 0 | 0 | 107.3 | T262 S266 | T262-V264 PolarHBondContact O-N 2.88Å; V264-S266 PolarHBondContact O-N 2.91Å | ||
| 265 | L | 50.4 | Low | 50.3 | Low | 114 Ų | 114 | 123.5 Ų | 123.5 | 60% | 0.597 | 69% | 0.685 | S | S | * | * | trans | -62.6 | 121.2 | 171 | -68.8 | 173.8 | 0 | 0 | 0 | 107.5 | G263 V270 | G263-L265 PolarHBondContact O-N 3.29Å; L265-V270 HydrophobicContact CB-CG2 4.24Å | ||
| 266 | S | 57.7 | Low | 50.3 | Low | 56 Ų | 56 | 119.3 Ų | 119.3 | 39% | 0.392 | 68% | 0.675 | S | S | . | * | trans | -63.1 | 145.2 | 177.8 | 168.6 | 0 | 0 | 0 | 0 | 109.9 | V264 K268 Q269 V270 | V264-S266 PolarHBondContact O-N 2.91Å; S266-K268 PolarHBondContact O-N 3.36Å; S266-K268 PolarHBondContact OG-N 2.85Å; S266-Q269 WeakPolarHBondContact O-CA 3.47Å; S266-Q269 WeakPolarHBondContact O-CB 3.3Å; S266-Q269 PolarHBondContact O-N 2.98Å; S266-V270 PolarHBondContact O-N 2.89Å; S266-V270 VanDerWaalsContact O-N 3.16Å | ||
| 267 | A | 52.6 | Low | 50.9 | Low | 81 Ų | 81 | 123.7 Ų | 123.7 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -52 | -27.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q271 | A267-Q271 WeakPolarHBondContact O-CB 3.32Å; A267-Q271 PolarHBondContact O-N 3.41Å; A267-Q271 VanDerWaalsContact O-N 3.17Å |
| 268 | K | 52.6 | Low | 51.3 | Low | 167 Ų | 167 | 123.9 Ų | 123.9 | 73% | 0.726 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -70.9 | -38.8 | 172.9 | -70.3 | -172.6 | 174.8 | -176.9 | 0 | 113.4 | S266 V270 Q271 E272 | S266-K268 PolarHBondContact O-N 3.36Å; S266-K268 PolarHBondContact OG-N 2.85Å; K268-V270 VanDerWaalsContact C-N 3.33Å; K268-Q271 PolarHBondContact O-N 3.38Å; K268-E272 WeakPolarHBondContact O-CB 3.42Å; K268-E272 PolarHBondContact O-N 3.36Å |
| 269 | Q | 57.3 | Low | 51.8 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 45% | 0.449 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -69.5 | -32.3 | 177.7 | -71.1 | 169.8 | -45.2 | 0 | 0 | 112 | S266 M273 | S266-Q269 WeakPolarHBondContact O-CA 3.47Å; S266-Q269 WeakPolarHBondContact O-CB 3.3Å; S266-Q269 PolarHBondContact O-N 2.98Å; Q269-M273 PolarHBondContact O-N 3.47Å |
| 270 | V | 58.6 | Low | 51.8 | Low | 68 Ų | 68 | 121.9 Ų | 121.9 | 41% | 0.412 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -70.3 | -38.6 | 173.4 | 178 | 0 | 0 | 0 | 0 | 111.1 | L265 S266 K268 L274 | L265-V270 HydrophobicContact CB-CG2 4.24Å; S266-V270 PolarHBondContact O-N 2.89Å; S266-V270 VanDerWaalsContact O-N 3.16Å; K268-V270 VanDerWaalsContact C-N 3.33Å; V270-L274 HydrophobicContact CG1-CD1 4.27Å; V270-L274 WeakPolarHBondContact O-CG 3.43Å; V270-L274 PolarHBondContact O-N 3.28Å |
| 271 | Q | 56.6 | Low | 52.2 | Low | 128 Ų | 128 | 122 Ų | 122 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.4 | -34.7 | 178.1 | -172.4 | 159.5 | -0.9 | 0 | 0 | 112.8 | A267 K268 L274 L275 | A267-Q271 WeakPolarHBondContact O-CB 3.32Å; A267-Q271 PolarHBondContact O-N 3.41Å; A267-Q271 VanDerWaalsContact O-N 3.17Å; K268-Q271 PolarHBondContact O-N 3.38Å; Q271-L274 PolarHBondContact O-N 3.23Å; Q271-L275 HydrophobicContact CG-CD1 4.23Å; Q271-L275 PolarHBondContact O-N 3.49Å |
| 272 | E | 55.5 | Low | 52.7 | Low | 142 Ų | 142 | 119.7 Ų | 119.7 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.7 | -38 | 177.9 | -150.3 | 165.6 | -152.7 | 0 | 0 | 111.8 | K268 L274 L275 | K268-E272 WeakPolarHBondContact O-CB 3.42Å; K268-E272 PolarHBondContact O-N 3.36Å; E272-L274 VanDerWaalsContact C-N 3.3Å; E272-L274 PolarHBondContact O-N 3.2Å; E272-L275 PolarHBondContact O-N 2.81Å |
| 273 | M | 57.8 | Low | 53 | Low | 135 Ų | 135 | 118.1 Ų | 118.1 | 67% | 0.665 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.6 | -26 | 172.2 | -84.1 | -179.7 | 44.3 | 0 | 0 | 114.3 | Q269 | Q269-M273 PolarHBondContact O-N 3.47Å |
| 274 | L | 58.2 | Low | 53.7 | Low | 140 Ų | 140 | 119.3 Ų | 119.3 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -85.4 | -13.6 | 178.4 | -72 | 169.3 | 0 | 0 | 0 | 113 | V270 Q271 E272 | V270-L274 HydrophobicContact CG1-CD1 4.27Å; V270-L274 WeakPolarHBondContact O-CG 3.43Å; V270-L274 PolarHBondContact O-N 3.28Å; Q271-L274 PolarHBondContact O-N 3.23Å; E272-L274 VanDerWaalsContact C-N 3.3Å; E272-L274 PolarHBondContact O-N 3.2Å |
| 275 | L | 59.1 | Low | 54.7 | Low | 127 Ų | 127 | 116 Ų | 116 | 67% | 0.665 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -94.1 | -11.9 | -179.2 | -85.4 | 161.2 | 0 | 0 | 0 | 113.6 | Q271 E272 E277 | Q271-L275 HydrophobicContact CG-CD1 4.23Å; Q271-L275 PolarHBondContact O-N 3.49Å; E272-L275 PolarHBondContact O-N 2.81Å; L275-E277 PolarHBondContact O-N 3.49Å; L275-E277 VanDerWaalsContact O-N 3.13Å |
| 276 | E | 49.8 | Very low | 55.7 | Low | 159 Ų | 159 | 116 Ų | 116 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -69.5 | 106.8 | 172.4 | -106 | 177.1 | 168.3 | 0 | 0 | 109.8 | Q278 | E276-Q278 PolarHBondContact O-N 3.49Š|
| 277 | E | 49.9 | Very low | 56.4 | Low | 192 Ų | 192 | 118.9 Ų | 118.9 | 90% | 0.897 | 66% | 0.664 | S | S | * | * | trans | -66 | 62 | 176.9 | -72.2 | -167.7 | 147.5 | 0 | 0 | 112.7 | L275 | L275-E277 PolarHBondContact O-N 3.49Å; L275-E277 VanDerWaalsContact O-N 3.13Å | ||
| 278 | Q | 50.2 | Low | 57.5 | Low | 165 Ų | 165 | 116.4 Ų | 116.4 | 77% | 0.771 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -119.7 | 111.7 | 161 | -150.2 | 69.5 | 56.8 | 0 | 0 | 107.3 | E276 C280 | E276-Q278 PolarHBondContact O-N 3.49Å; Q278-C280 PolarHBondContact O-N 3.48Å |
| 279 | G | 50.1 | Low | 58.6 | Low | 72 Ų | 72 | 112 Ų | 112 | 74% | 0.742 | 63% | 0.625 | S | S | * | * | trans | -44.1 | 110.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S281 | G279-S281 VanDerWaalsContact C-N 3.32Å; G279-S281 PolarHBondContact O-N 3.22Å | ||
| 280 | C | 46.8 | Very low | 59.5 | Low | 114 Ų | 114 | 110.5 Ų | 110.5 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | trans | -68.1 | 85.2 | -173.4 | -75.4 | 0 | 0 | 0 | 0 | 110.8 | Q278 L282 | Q278-C280 PolarHBondContact O-N 3.48Å; C280-L282 VanDerWaalsContact C-N 3.34Å; C280-L282 PolarHBondContact O-N 3.32Å | ||
| 281 | S | 49 | Very low | 60.6 | Low | 111 Ų | 111 | 111.3 Ų | 111.3 | 78% | 0.776 | 63% | 0.627 | S | S | * | * | trans | -85.1 | 87 | 152.9 | 52.4 | 0 | 0 | 0 | 0 | 107.2 | G279 | G279-S281 VanDerWaalsContact C-N 3.32Å; G279-S281 PolarHBondContact O-N 3.22Å | ||
| 282 | L | 55.5 | Low | 61.9 | Low | 124 Ų | 124 | 110.5 Ų | 110.5 | 65% | 0.649 | 63% | 0.626 | S | S | * | * | trans | -56 | 125.4 | 167.2 | -75.6 | 160 | 0 | 0 | 0 | 107.2 | C280 A284 | C280-L282 VanDerWaalsContact C-N 3.34Å; C280-L282 PolarHBondContact O-N 3.32Å; L282-A284 PolarHBondContact O-N 3.36Å | ||
| 283 | P | 52.9 | Low | 63 | Low | 90 Ų | 90 | 110.4 Ų | 110.4 | 58% | 0.584 | 62% | 0.624 | S | S | * | * | trans | -58.6 | 130.1 | 175.5 | 23.8 | -31.7 | 0 | 0 | 0 | 107.6 | T285 S288 | P283-T285 HydrophobicContact CB-CG2 4.22Å; P283-T285 HydrophobicContact CG-CG2 4.46Å; P283-T285 PolarHBondContact O-N 3.14Å; P283-S288 PolarHBondContact O-OG 3.23Å | ||
| 284 | A | 57.3 | Low | 64 | Low | 89 Ų | 89 | 107.5 Ų | 107.5 | 74% | 0.736 | 62% | 0.617 | S | S | * | * | trans | -70.4 | 58.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L282 I289 | L282-A284 PolarHBondContact O-N 3.36Å; A284-I289 HydrophobicContact CB-CD1 4.41Å | ||
| 285 | T | 71.3 | Confident | 65.4 | Low | 65 Ų | 65 | 105.6 Ų | 105.6 | 40% | 0.399 | 61% | 0.607 | S | S | . | * | trans | -78.3 | 146.2 | 171.1 | 60.5 | 0 | 0 | 0 | 0 | 108.3 | P283 Q287 S288 I289 | P283-T285 HydrophobicContact CB-CG2 4.22Å; P283-T285 HydrophobicContact CG-CG2 4.46Å; P283-T285 PolarHBondContact O-N 3.14Å; T285-Q287 PolarHBondContact O-N 3.33Å; T285-Q287 VanDerWaalsContact O-N 3.07Å; T285-S288 PolarHBondContact N-OG 3.36Å; T285-S288 PolarHBondContact O-N 3.5Å; T285-S288 VanDerWaalsContact O-N 3.15Å; T285-S288 PolarHBondContact O-OG 3.39Å; T285-S288 PolarHBondContact OG1-N 3.48Å; T285-S288 PolarHBondContact OG1-OG 3.34Å; T285-I289 PolarHBondContact O-N 3.46Å | ||
| 286 | P | 71.2 | Confident | 66.5 | Low | 114 Ų | 114 | 101.7 Ų | 101.7 | 74% | 0.74 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -56.9 | -27 | 179 | 20.4 | -31.6 | 0 | 0 | 0 | 112.8 | S290 | P286-S290 WeakPolarHBondContact O-CB 3.22Å; P286-S290 PolarHBondContact O-N 3.18Å; P286-S290 VanDerWaalsContact O-N 3.08Å |
| 287 | Q | 71.3 | Confident | 67.7 | Low | 118 Ų | 118 | 97.4 Ų | 97.4 | 55% | 0.551 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.7 | -47.9 | 175.9 | -168.9 | 61.1 | 42.5 | 0 | 0 | 112.6 | T285 I289 S290 D291 | T285-Q287 PolarHBondContact O-N 3.33Å; T285-Q287 VanDerWaalsContact O-N 3.07Å; Q287-I289 VanDerWaalsContact C-N 3.28Å; Q287-I289 PolarHBondContact O-N 3.37Å; Q287-S290 WeakPolarHBondContact O-CB 3.45Å; Q287-S290 PolarHBondContact O-N 3.47Å; Q287-D291 PolarHBondContact NE2-OD1 3.48Å; Q287-D291 VanDerWaalsContact O-CG 3.24Å; Q287-D291 PolarHBondContact O-N 3.5Å |
| 288 | S | 77.4 | Confident | 69.2 | Low | 28 Ų | 28 | 90.2 Ų | 90.2 | 20% | 0.196 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -64.9 | -33.3 | 179.2 | 62 | 0 | 0 | 0 | 0 | 112.4 | P283 T285 L292 | P283-S288 PolarHBondContact O-OG 3.23Å; T285-S288 PolarHBondContact N-OG 3.36Å; T285-S288 PolarHBondContact O-N 3.5Å; T285-S288 VanDerWaalsContact O-N 3.15Å; T285-S288 PolarHBondContact O-OG 3.39Å; T285-S288 PolarHBondContact OG1-N 3.48Å; T285-S288 PolarHBondContact OG1-OG 3.34Å; S288-L292 VanDerWaalsContact O-CB 3.28Å; S288-L292 WeakPolarHBondContact O-CB 3.31Å; S288-L292 PolarHBondContact O-N 3.46Å |
| 289 | I | 75.1 | Confident | 71.1 | Confident | 75 Ų | 75 | 86.9 Ų | 86.9 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.5 | -38.4 | 172.9 | -62.1 | 169.1 | 0 | 0 | 0 | 110.9 | A284 T285 Q287 K293 | A284-I289 HydrophobicContact CB-CD1 4.41Å; T285-I289 PolarHBondContact O-N 3.46Å; Q287-I289 VanDerWaalsContact C-N 3.28Å; Q287-I289 PolarHBondContact O-N 3.37Å; I289-K293 HydrophobicContact CG2-CD 4.33Å; I289-K293 WeakPolarHBondContact O-CB 3.21Å; I289-K293 VanDerWaalsContact O-CG 3.26Å; I289-K293 WeakPolarHBondContact O-CG 3.43Å; I289-K293 PolarHBondContact O-N 2.82Å |
| 290 | S | 76.8 | Confident | 72.8 | Confident | 64 Ų | 64 | 89 Ų | 89 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 175.2 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | P286 Q287 K293 S294 | P286-S290 WeakPolarHBondContact O-CB 3.22Å; P286-S290 PolarHBondContact O-N 3.18Å; P286-S290 VanDerWaalsContact O-N 3.08Å; Q287-S290 WeakPolarHBondContact O-CB 3.45Å; Q287-S290 PolarHBondContact O-N 3.47Å; S290-K293 PolarHBondContact O-N 2.87Å; S290-S294 WeakPolarHBondContact O-CB 3.25Å; S290-S294 PolarHBondContact O-N 2.88Å |
| 291 | D | 81.4 | Confident | 74.6 | Confident | 86 Ų | 86 | 89.8 Ų | 89.8 | 46% | 0.46 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 179.5 | -61.8 | -20.4 | 0 | 0 | 0 | 111 | Q287 S294 L295 | Q287-D291 PolarHBondContact NE2-OD1 3.48Å; Q287-D291 VanDerWaalsContact O-CG 3.24Å; Q287-D291 PolarHBondContact O-N 3.5Å; D291-S294 WeakPolarHBondContact O-CB 3.2Å; D291-S294 PolarHBondContact O-N 3.12Å; D291-L295 WeakPolarHBondContact O-CB 3.44Å; D291-L295 PolarHBondContact O-N 3.37Å |
| 292 | L | 84.3 | Confident | 76.6 | Confident | 111 Ų | 111 | 87.2 Ų | 87.2 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -40.3 | 174.2 | -173 | 68.2 | 0 | 0 | 0 | 112 | S288 L295 A296 | S288-L292 VanDerWaalsContact O-CB 3.28Å; S288-L292 WeakPolarHBondContact O-CB 3.31Å; S288-L292 PolarHBondContact O-N 3.46Å; L292-L295 PolarHBondContact O-N 3.01Å; L292-A296 WeakPolarHBondContact O-CB 3.3Å; L292-A296 PolarHBondContact O-N 2.89Å |
| 293 | K | 77.4 | Confident | 78.3 | Confident | 140 Ų | 140 | 86 Ų | 86 | 61% | 0.609 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -44.1 | 173.3 | -79.2 | 176.1 | 179.4 | 180 | 0 | 111.3 | I289 S290 L295 A296 T297 | I289-K293 HydrophobicContact CG2-CD 4.33Å; I289-K293 WeakPolarHBondContact O-CB 3.21Å; I289-K293 VanDerWaalsContact O-CG 3.26Å; I289-K293 WeakPolarHBondContact O-CG 3.43Å; I289-K293 PolarHBondContact O-N 2.82Å; S290-K293 PolarHBondContact O-N 2.87Å; K293-L295 VanDerWaalsContact C-N 3.33Å; K293-L295 PolarHBondContact O-N 3.41Å; K293-A296 PolarHBondContact O-N 3.48Å; K293-T297 PolarHBondContact O-N 3.26Å; K293-T297 PolarHBondContact O-OG1 2.97Å |
| 294 | S | 79.8 | Confident | 80.1 | Confident | 74 Ų | 74 | 88 Ų | 88 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 176.3 | -173 | 0 | 0 | 0 | 0 | 112.1 | S290 D291 T297 A298 | S290-S294 WeakPolarHBondContact O-CB 3.25Å; S290-S294 PolarHBondContact O-N 2.88Å; D291-S294 WeakPolarHBondContact O-CB 3.2Å; D291-S294 PolarHBondContact O-N 3.12Å; S294-T297 VanDerWaalsContact CA-OG1 3.31Å; S294-T297 WeakPolarHBondContact CA-OG1 3.37Å; S294-T297 PolarHBondContact O-OG1 2.96Å; S294-A298 WeakPolarHBondContact O-CB 3.3Å; S294-A298 PolarHBondContact O-N 3.36Å |
| 295 | L | 87.3 | Confident | 81.8 | Confident | 99 Ų | 99 | 89.9 Ų | 89.9 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 176.1 | -178.9 | 63.6 | 0 | 0 | 0 | 111.2 | D291 L292 K293 T297 A298 L299 | D291-L295 WeakPolarHBondContact O-CB 3.44Å; D291-L295 PolarHBondContact O-N 3.37Å; L292-L295 PolarHBondContact O-N 3.01Å; K293-L295 VanDerWaalsContact C-N 3.33Å; K293-L295 PolarHBondContact O-N 3.41Å; L295-T297 PolarHBondContact O-N 3.34Å; L295-A298 PolarHBondContact O-N 3.21Å; L295-L299 HydrophobicContact CD1-CD1 4.42Å; L295-L299 HydrophobicContact CD1-CG 4.39Å; L295-L299 HydrophobicContact CG-CD1 4.15Å; L295-L299 WeakPolarHBondContact O-CB 3.4Å; L295-L299 VanDerWaalsContact O-CG 3.32Å; L295-L299 WeakPolarHBondContact O-CG 3.35Å; L295-L299 PolarHBondContact O-N 3.37Å |
| 296 | A | 81.5 | Confident | 82.8 | Confident | 45 Ų | 45 | 93.1 Ų | 93.1 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L292 K293 L299 L300 | L292-A296 WeakPolarHBondContact O-CB 3.3Å; L292-A296 PolarHBondContact O-N 2.89Å; K293-A296 PolarHBondContact O-N 3.48Å; A296-L299 PolarHBondContact O-N 3.4Å; A296-L300 WeakPolarHBondContact O-CB 3.24Å; A296-L300 WeakPolarHBondContact O-CG 3.32Å; A296-L300 PolarHBondContact O-N 3.19Å |
| 297 | T | 75 | Confident | 83.8 | Confident | 70 Ų | 70 | 92 Ų | 92 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 173.4 | 45.4 | 0 | 0 | 0 | 0 | 111.7 | K293 S294 L295 L299 L300 E301 | K293-T297 PolarHBondContact O-N 3.26Å; K293-T297 PolarHBondContact O-OG1 2.97Å; S294-T297 VanDerWaalsContact CA-OG1 3.31Å; S294-T297 WeakPolarHBondContact CA-OG1 3.37Å; S294-T297 PolarHBondContact O-OG1 2.96Å; L295-T297 PolarHBondContact O-N 3.34Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 3.46Å; T297-L300 PolarHBondContact O-N 2.96Å; T297-E301 WeakPolarHBondContact O-CB 3.41Å; T297-E301 VanDerWaalsContact O-CG 3.31Å; T297-E301 WeakPolarHBondContact O-CG 3.23Å; T297-E301 PolarHBondContact O-N 2.94Å |
| 298 | A | 82.2 | Confident | 84.9 | Confident | 40 Ų | 40 | 90.2 Ų | 90.2 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S294 L295 T302 | S294-A298 WeakPolarHBondContact O-CB 3.3Å; S294-A298 PolarHBondContact O-N 3.36Å; L295-A298 PolarHBondContact O-N 3.21Å; A298-T302 WeakPolarHBondContact O-CB 3.31Å; A298-T302 PolarHBondContact O-N 3.37Å; A298-T302 PolarHBondContact O-OG1 3.17Å |
| 299 | L | 89.2 | Confident | 85.8 | Confident | 96 Ų | 96 | 93.3 Ų | 93.3 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 174.8 | -72.4 | 173.2 | 0 | 0 | 0 | 111.9 | L295 A296 T297 T302 I303 | L295-L299 HydrophobicContact CD1-CD1 4.42Å; L295-L299 HydrophobicContact CD1-CG 4.39Å; L295-L299 HydrophobicContact CG-CD1 4.15Å; L295-L299 WeakPolarHBondContact O-CB 3.4Å; L295-L299 VanDerWaalsContact O-CG 3.32Å; L295-L299 WeakPolarHBondContact O-CG 3.35Å; L295-L299 PolarHBondContact O-N 3.37Å; A296-L299 PolarHBondContact O-N 3.4Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 3.46Å; L299-T302 PolarHBondContact O-N 3.47Å; L299-I303 VanDerWaalsContact O-CG1 3.28Å; L299-I303 WeakPolarHBondContact O-CG1 3.34Å; L299-I303 PolarHBondContact O-N 3.45Å |
| 300 | L | 86.3 | Confident | 86.6 | Confident | 115 Ų | 115 | 93.7 Ų | 93.7 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 174.2 | -83.7 | 164.3 | 0 | 0 | 0 | 111.9 | A296 T297 T302 I303 H304 | A296-L300 WeakPolarHBondContact O-CB 3.24Å; A296-L300 WeakPolarHBondContact O-CG 3.32Å; A296-L300 PolarHBondContact O-N 3.19Å; T297-L300 PolarHBondContact O-N 2.96Å; L300-T302 VanDerWaalsContact C-N 3.35Å; L300-I303 PolarHBondContact O-N 2.89Å; L300-H304 WeakPolarHBondContact O-CB 3.16Å; L300-H304 PolarHBondContact O-N 2.81Å |
| 301 | E | 83.8 | Confident | 87.4 | Confident | 132 Ų | 132 | 97 Ų | 97 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -44.8 | 174.4 | -74.4 | 169.3 | -174.2 | 0 | 0 | 110.8 | T297 I303 H304 E305 | T297-E301 WeakPolarHBondContact O-CB 3.41Å; T297-E301 VanDerWaalsContact O-CG 3.31Å; T297-E301 WeakPolarHBondContact O-CG 3.23Å; T297-E301 PolarHBondContact O-N 2.94Å; E301-I303 VanDerWaalsContact C-N 3.34Å; E301-I303 PolarHBondContact O-N 3.2Å; E301-H304 PolarHBondContact O-N 3.44Å; E301-E305 WeakPolarHBondContact O-CB 3.19Å; E301-E305 PolarHBondContact O-N 3.28Å |
| 302 | T | 91.8 | Very high | 88.1 | Confident | 57 Ų | 57 | 98.1 Ų | 98.1 | 35% | 0.35 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 112 | A298 L299 L300 K306 | A298-T302 WeakPolarHBondContact O-CB 3.31Å; A298-T302 PolarHBondContact O-N 3.37Å; A298-T302 PolarHBondContact O-OG1 3.17Å; L299-T302 PolarHBondContact O-N 3.47Å; L300-T302 VanDerWaalsContact C-N 3.35Å; T302-K306 HydrophobicContact CG2-CD 4.39Å; T302-K306 WeakPolarHBondContact O-CB 3.36Å; T302-K306 WeakPolarHBondContact O-CG 3.37Å; T302-K306 PolarHBondContact O-N 2.76Å |
| 303 | I | 90.9 | Very high | 88.6 | Confident | 97 Ų | 97 | 97.9 Ų | 97.9 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 175.7 | -72.4 | 167 | 0 | 0 | 0 | 110.3 | L299 L300 E301 K306 N307 | L299-I303 VanDerWaalsContact O-CG1 3.28Å; L299-I303 WeakPolarHBondContact O-CG1 3.34Å; L299-I303 PolarHBondContact O-N 3.45Å; L300-I303 PolarHBondContact O-N 2.89Å; E301-I303 VanDerWaalsContact C-N 3.34Å; E301-I303 PolarHBondContact O-N 3.2Å; I303-K306 PolarHBondContact O-N 2.89Å; I303-N307 WeakPolarHBondContact CG2-ND2 3.46Å; I303-N307 WeakPolarHBondContact O-CB 3.24Å; I303-N307 PolarHBondContact O-N 3.32Å; I303-N307 PolarHBondContact O-ND2 2.91Å; I303-N307 VanDerWaalsContact O-ND2 3.11Å |
| 304 | H | 90.9 | Very high | 89.5 | Confident | 133 Ų | 133 | 100.1 Ų | 100.1 | 62% | 0.616 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -45.5 | 178.2 | -169.2 | 65 | 0 | 0 | 0 | 111.5 | L300 E301 N307 L308 | L300-H304 WeakPolarHBondContact O-CB 3.16Å; L300-H304 PolarHBondContact O-N 2.81Å; E301-H304 PolarHBondContact O-N 3.44Å; H304-N307 PolarHBondContact O-N 3.45Å; H304-L308 PolarHBondContact O-N 2.72Å |
| 305 | E | 92.7 | Very high | 90.1 | Very high | 128 Ų | 128 | 101.8 Ų | 101.8 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 176.1 | -170.6 | 174.8 | -161.8 | 0 | 0 | 111.6 | E301 N307 L308 V309 | E301-E305 WeakPolarHBondContact O-CB 3.19Å; E301-E305 PolarHBondContact O-N 3.28Å; E305-N307 VanDerWaalsContact C-N 3.34Å; E305-N307 PolarHBondContact O-N 2.87Å; E305-L308 WeakPolarHBondContact O-CB 3.29Å; E305-L308 PolarHBondContact O-N 3.22Å; E305-V309 WeakPolarHBondContact O-CG2 3.26Å; E305-V309 PolarHBondContact O-N 3.45Å |
| 306 | K | 93.4 | Very high | 90.5 | Very high | 134 Ų | 134 | 100.2 Ų | 100.2 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.9 | -40.2 | 174.7 | -76.7 | -178.8 | 178.9 | 174.3 | 0 | 112.6 | T302 I303 L308 V309 I310 | T302-K306 HydrophobicContact CG2-CD 4.39Å; T302-K306 WeakPolarHBondContact O-CB 3.36Å; T302-K306 WeakPolarHBondContact O-CG 3.37Å; T302-K306 PolarHBondContact O-N 2.76Å; I303-K306 PolarHBondContact O-N 2.89Å; K306-L308 VanDerWaalsContact C-N 3.33Å; K306-V309 PolarHBondContact O-N 2.97Å; K306-I310 VanDerWaalsContact O-CG1 3.28Å; K306-I310 WeakPolarHBondContact O-CG1 3.38Å; K306-I310 PolarHBondContact O-N 2.92Å |
| 307 | N | 91.9 | Very high | 91 | Very high | 90 Ų | 90 | 102.1 Ų | 102.1 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 175.1 | -82.5 | -42.3 | 0 | 0 | 0 | 111.7 | I303 H304 E305 I310 Q311 | I303-N307 WeakPolarHBondContact CG2-ND2 3.46Å; I303-N307 WeakPolarHBondContact O-CB 3.24Å; I303-N307 PolarHBondContact O-N 3.32Å; I303-N307 PolarHBondContact O-ND2 2.91Å; I303-N307 VanDerWaalsContact O-ND2 3.11Å; H304-N307 PolarHBondContact O-N 3.45Å; E305-N307 VanDerWaalsContact C-N 3.34Å; E305-N307 PolarHBondContact O-N 2.87Å; N307-I310 PolarHBondContact O-N 3.11Å; N307-Q311 WeakPolarHBondContact O-CB 3.26Å; N307-Q311 PolarHBondContact O-N 3.48Å |
| 308 | L | 94.6 | Very high | 92 | Very high | 81 Ų | 81 | 107.5 Ų | 107.5 | 42% | 0.424 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 175.6 | -175.8 | 64.1 | 0 | 0 | 0 | 111.3 | H304 E305 K306 I310 Q311 H312 | H304-L308 PolarHBondContact O-N 2.72Å; E305-L308 WeakPolarHBondContact O-CB 3.29Å; E305-L308 PolarHBondContact O-N 3.22Å; K306-L308 VanDerWaalsContact C-N 3.33Å; L308-I310 PolarHBondContact O-N 3.03Å; L308-Q311 WeakPolarHBondContact O-CB 3.31Å; L308-Q311 PolarHBondContact O-N 3.38Å; L308-Q311 VanDerWaalsContact O-N 3.16Å; L308-H312 PolarHBondContact O-CD2 2.83Å; L308-H312 PolarHBondContact O-N 3.47Å |
| 309 | V | 94.7 | Very high | 92.6 | Very high | 92 Ų | 92 | 109.4 Ų | 109.4 | 56% | 0.558 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.8 | -45.1 | 175.4 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | E305 K306 Q311 H312 Q313 | E305-V309 WeakPolarHBondContact O-CG2 3.26Å; E305-V309 PolarHBondContact O-N 3.45Å; K306-V309 PolarHBondContact O-N 2.97Å; V309-Q311 VanDerWaalsContact C-N 3.31Å; V309-Q311 PolarHBondContact O-N 3.49Å; V309-H312 PolarHBondContact O-N 3.29Å; V309-Q313 WeakPolarHBondContact O-CB 3.47Å; V309-Q313 PolarHBondContact O-N 3.28Å |
| 310 | I | 93.5 | Very high | 92.9 | Very high | 83 Ų | 83 | 109 Ų | 109 | 43% | 0.426 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 176.3 | -69.4 | 167.2 | 0 | 0 | 0 | 110.9 | K306 N307 L308 Q313 R314 | K306-I310 VanDerWaalsContact O-CG1 3.28Å; K306-I310 WeakPolarHBondContact O-CG1 3.38Å; K306-I310 PolarHBondContact O-N 2.92Å; N307-I310 PolarHBondContact O-N 3.11Å; L308-I310 PolarHBondContact O-N 3.03Å; I310-Q313 PolarHBondContact O-N 3.35Å; I310-R314 HydrophobicContact CG2-CG 4.46Å; I310-R314 WeakPolarHBondContact O-CB 3.45Å; I310-R314 WeakPolarHBondContact O-CG 3.33Å; I310-R314 PolarHBondContact O-N 3.1Å |
| 311 | Q | 93.3 | Very high | 93.2 | Very high | 133 Ų | 133 | 105.4 Ų | 105.4 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -45.9 | 177.1 | -176.1 | 179 | -16.3 | 0 | 0 | 111.7 | N307 L308 V309 Q313 R314 H315 | N307-Q311 WeakPolarHBondContact O-CB 3.26Å; N307-Q311 PolarHBondContact O-N 3.48Å; L308-Q311 WeakPolarHBondContact O-CB 3.31Å; L308-Q311 PolarHBondContact O-N 3.38Å; L308-Q311 VanDerWaalsContact O-N 3.16Å; V309-Q311 VanDerWaalsContact C-N 3.31Å; V309-Q311 PolarHBondContact O-N 3.49Å; Q311-Q313 VanDerWaalsContact C-N 3.33Å; Q311-Q313 PolarHBondContact O-N 3.31Å; Q311-R314 PolarHBondContact O-N 2.93Å; Q311-H315 WeakPolarHBondContact O-CB 3.46Å; Q311-H315 PolarHBondContact O-N 3.35Å |
| 312 | H | 96.1 | Very high | 93.7 | Very high | 111 Ų | 111 | 103.6 Ų | 103.6 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 173.9 | -78.2 | -68.1 | 0 | 0 | 0 | 112 | L308 V309 H315 T316 | L308-H312 PolarHBondContact O-CD2 2.83Å; L308-H312 PolarHBondContact O-N 3.47Å; V309-H312 PolarHBondContact O-N 3.29Å; H312-H315 PolarHBondContact O-N 3.46Å; H312-T316 WeakPolarHBondContact O-CB 3.24Å; H312-T316 PolarHBondContact O-N 2.85Å; H312-T316 PolarHBondContact O-OG1 3.44Å |
| 313 | Q | 95.3 | Very high | 93.9 | Very high | 105 Ų | 105 | 108.8 Ų | 108.8 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.8 | -173.3 | 62.3 | 41.9 | 0 | 0 | 111.6 | V309 I310 Q311 H315 T316 N317 | V309-Q313 WeakPolarHBondContact O-CB 3.47Å; V309-Q313 PolarHBondContact O-N 3.28Å; I310-Q313 PolarHBondContact O-N 3.35Å; Q311-Q313 VanDerWaalsContact C-N 3.33Å; Q311-Q313 PolarHBondContact O-N 3.31Å; Q313-H315 VanDerWaalsContact C-N 3.34Å; Q313-H315 PolarHBondContact O-N 2.84Å; Q313-T316 PolarHBondContact O-N 2.88Å; Q313-N317 PolarHBondContact NE2-OD1 3.37Å; Q313-N317 WeakPolarHBondContact O-CB 3.36Å; Q313-N317 VanDerWaalsContact O-CG 3.32Å; Q313-N317 PolarHBondContact O-N 2.89Å |
| 314 | R | 94.6 | Very high | 94.1 | Very high | 188 Ų | 188 | 107.8 Ų | 107.8 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 176.2 | -75.9 | 177.3 | 177.9 | -170.5 | 0.4 | 111.8 | I310 Q311 R318 | I310-R314 HydrophobicContact CG2-CG 4.46Å; I310-R314 WeakPolarHBondContact O-CB 3.45Å; I310-R314 WeakPolarHBondContact O-CG 3.33Å; I310-R314 PolarHBondContact O-N 3.1Å; Q311-R314 PolarHBondContact O-N 2.93Å; R314-R318 WeakPolarHBondContact O-CB 3.46Å; R314-R318 PolarHBondContact O-N 2.89Å |
| 315 | H | 94 | Very high | 94.2 | Very high | 109 Ų | 109 | 103.3 Ų | 103.3 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 177.2 | -173.4 | 70.5 | 0 | 0 | 0 | 111.7 | Q311 H312 Q313 R318 I319 | Q311-H315 WeakPolarHBondContact O-CB 3.46Å; Q311-H315 PolarHBondContact O-N 3.35Å; H312-H315 PolarHBondContact O-N 3.46Å; Q313-H315 VanDerWaalsContact C-N 3.34Å; Q313-H315 PolarHBondContact O-N 2.84Å; H315-R318 WeakPolarHBondContact O-CB 3.46Å; H315-R318 PolarHBondContact O-N 3.43Å; H315-R318 VanDerWaalsContact O-N 3.13Å; H315-I319 WeakPolarHBondContact O-CG1 3.36Å; H315-I319 PolarHBondContact O-N 3.15Å |
| 316 | T | 93.9 | Very high | 94.2 | Very high | 66 Ų | 66 | 100.2 Ų | 100.2 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | H312 Q313 R318 I319 L320 | H312-T316 WeakPolarHBondContact O-CB 3.24Å; H312-T316 PolarHBondContact O-N 2.85Å; H312-T316 PolarHBondContact O-OG1 3.44Å; Q313-T316 PolarHBondContact O-N 2.88Å; T316-R318 PolarHBondContact O-N 2.94Å; T316-I319 PolarHBondContact O-N 3.43Å; T316-I319 VanDerWaalsContact O-N 3.16Å; T316-L320 HydrophobicContact CG2-CD1 4.29Å; T316-L320 WeakPolarHBondContact O-CG 3.34Å; T316-L320 PolarHBondContact O-N 3.24Å |
| 317 | N | 93.8 | Very high | 94.2 | Very high | 84 Ų | 84 | 99.2 Ų | 99.2 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -33.8 | 175.6 | -74.9 | -1.1 | 0 | 0 | 0 | 112.1 | Q313 G321 | Q313-N317 PolarHBondContact NE2-OD1 3.37Å; Q313-N317 WeakPolarHBondContact O-CB 3.36Å; Q313-N317 VanDerWaalsContact O-CG 3.32Å; Q313-N317 PolarHBondContact O-N 2.89Å; N317-G321 PolarHBondContact O-N 3.37Å |
| 318 | R | 95.8 | Very high | 94.2 | Very high | 183 Ų | 183 | 99.7 Ų | 99.7 | 69% | 0.691 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | 174.8 | -170.8 | 175.6 | -175.5 | 164.2 | 0.5 | 111.9 | R314 H315 T316 G321 N322 | R314-R318 WeakPolarHBondContact O-CB 3.46Å; R314-R318 PolarHBondContact O-N 2.89Å; H315-R318 WeakPolarHBondContact O-CB 3.46Å; H315-R318 PolarHBondContact O-N 3.43Å; H315-R318 VanDerWaalsContact O-N 3.13Å; T316-R318 PolarHBondContact O-N 2.94Å; R318-G321 PolarHBondContact O-N 3.47Å; R318-N322 VanDerWaalsContact O-CG 3.26Å; R318-N322 PolarHBondContact O-N 3.41Å; R318-N322 PolarHBondContact O-OD1 2.86Å |
| 319 | I | 93.6 | Very high | 94.1 | Very high | 80 Ų | 80 | 102.6 Ų | 102.6 | 41% | 0.41 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 175.5 | -65.7 | 167.9 | 0 | 0 | 0 | 110.6 | H315 T316 N322 R323 | H315-I319 WeakPolarHBondContact O-CG1 3.36Å; H315-I319 PolarHBondContact O-N 3.15Å; T316-I319 PolarHBondContact O-N 3.43Å; T316-I319 VanDerWaalsContact O-N 3.16Å; I319-N322 PolarHBondContact O-N 2.77Å; I319-R323 PolarHBondContact O-N 3.31Å |
| 320 | L | 95.2 | Very high | 93.9 | Very high | 89 Ų | 89 | 104.5 Ų | 104.5 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 176.7 | -69.6 | 173.7 | 0 | 0 | 0 | 111.3 | T316 N322 R323 V324 | T316-L320 HydrophobicContact CG2-CD1 4.29Å; T316-L320 WeakPolarHBondContact O-CG 3.34Å; T316-L320 PolarHBondContact O-N 3.24Å; L320-N322 VanDerWaalsContact C-N 3.34Å; L320-N322 PolarHBondContact O-N 2.88Å; L320-R323 PolarHBondContact O-N 2.94Å; L320-V324 WeakPolarHBondContact O-CG2 3.4Å; L320-V324 PolarHBondContact O-N 3Å |
| 321 | G | 93.9 | Very high | 93.6 | Very high | 38 Ų | 38 | 103.5 Ų | 103.5 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N317 R318 V324 A325 | N317-G321 PolarHBondContact O-N 3.37Å; R318-G321 PolarHBondContact O-N 3.47Å; G321-V324 PolarHBondContact O-N 3.39Å; G321-A325 WeakPolarHBondContact O-CB 3.25Å; G321-A325 PolarHBondContact O-N 3.49Å |
| 322 | N | 93.8 | Very high | 93.2 | Very high | 95 Ų | 95 | 103.1 Ų | 103.1 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.4 | -71.5 | -10.2 | 0 | 0 | 0 | 111.9 | R318 I319 L320 V324 A325 D326 | R318-N322 VanDerWaalsContact O-CG 3.26Å; R318-N322 PolarHBondContact O-N 3.41Å; R318-N322 PolarHBondContact O-OD1 2.86Å; I319-N322 PolarHBondContact O-N 2.77Å; L320-N322 VanDerWaalsContact C-N 3.34Å; L320-N322 PolarHBondContact O-N 2.88Å; N322-V324 PolarHBondContact O-N 3.38Å; N322-A325 PolarHBondContact O-N 3.38Å; N322-D326 PolarHBondContact O-N 2.82Å |
| 323 | R | 95.9 | Very high | 92.5 | Very high | 166 Ų | 166 | 102 Ų | 102 | 63% | 0.626 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 176.5 | -81.7 | 177.9 | 145.5 | -172.1 | -6.5 | 112.4 | I319 L320 D326 L327 | I319-R323 PolarHBondContact O-N 3.31Å; L320-R323 PolarHBondContact O-N 2.94Å; R323-D326 WeakPolarHBondContact O-CB 3.32Å; R323-D326 PolarHBondContact O-N 3.37Å; R323-L327 VanDerWaalsContact O-CG 3.32Å; R323-L327 WeakPolarHBondContact O-CG 3.32Å; R323-L327 PolarHBondContact O-N 3.49Å |
| 324 | V | 95.3 | Very high | 91.7 | Very high | 76 Ų | 76 | 100.5 Ų | 100.5 | 46% | 0.461 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 110 | L320 G321 N322 D326 L327 E328 | L320-V324 WeakPolarHBondContact O-CG2 3.4Å; L320-V324 PolarHBondContact O-N 3Å; G321-V324 PolarHBondContact O-N 3.39Å; N322-V324 PolarHBondContact O-N 3.38Å; V324-D326 VanDerWaalsContact C-N 3.32Å; V324-D326 PolarHBondContact O-N 3.3Å; V324-L327 PolarHBondContact O-N 3.43Å; V324-L327 VanDerWaalsContact O-N 3.15Å; V324-E328 HydrophobicContact CG1-CG 4.4Å; V324-E328 WeakPolarHBondContact O-CG 3.45Å; V324-E328 PolarHBondContact O-N 3.48Å |
| 325 | A | 93.2 | Very high | 90.9 | Very high | 38 Ų | 38 | 96.7 Ų | 96.7 | 31% | 0.314 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G321 N322 R329 | G321-A325 WeakPolarHBondContact O-CB 3.25Å; G321-A325 PolarHBondContact O-N 3.49Å; N322-A325 PolarHBondContact O-N 3.38Å; A325-R329 PolarHBondContact O-N 2.89Å |
| 326 | D | 92.2 | Very high | 90 | Very high | 64 Ų | 64 | 97.8 Ų | 97.8 | 34% | 0.342 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 171.8 | -74 | -37.8 | 0 | 0 | 0 | 111.6 | N322 R323 V324 R329 K330 | N322-D326 PolarHBondContact O-N 2.82Å; R323-D326 WeakPolarHBondContact O-CB 3.32Å; R323-D326 PolarHBondContact O-N 3.37Å; V324-D326 VanDerWaalsContact C-N 3.32Å; V324-D326 PolarHBondContact O-N 3.3Å; D326-R329 PolarHBondContact O-N 3.46Å; D326-R329 IonicContact OD1-CZ 3.75Å; D326-R329 IonicContact OD1-NH1 2.65Å; D326-R329 PolarHBondContact OD1-NH1 2.92Å; D326-R329 IonicContact OD1-NH2 2.62Å; D326-R329 PolarHBondContact OD1-NH2 3.45Å; D326-K330 WeakPolarHBondContact O-CG 3.48Å; D326-K330 PolarHBondContact O-N 3.11Å |
| 327 | L | 93.6 | Very high | 89 | Confident | 113 Ų | 113 | 97.8 Ų | 97.8 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 177.5 | -70.8 | 173.3 | 0 | 0 | 0 | 111.6 | R323 V324 R329 K330 L331 | R323-L327 VanDerWaalsContact O-CG 3.32Å; R323-L327 WeakPolarHBondContact O-CG 3.32Å; R323-L327 PolarHBondContact O-N 3.49Å; V324-L327 PolarHBondContact O-N 3.43Å; V324-L327 VanDerWaalsContact O-N 3.15Å; L327-R329 VanDerWaalsContact C-N 3.32Å; L327-R329 PolarHBondContact O-N 2.66Å; L327-K330 PolarHBondContact O-N 2.95Å; L327-L331 VanDerWaalsContact O-CB 3.28Å; L327-L331 WeakPolarHBondContact O-CB 3.44Å; L327-L331 PolarHBondContact O-N 2.98Å |
| 328 | E | 92.9 | Very high | 87.6 | Confident | 99 Ų | 99 | 96.2 Ų | 96.2 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 173.7 | -73.8 | 176.2 | -178.1 | 0 | 0 | 112.1 | V324 K332 | V324-E328 HydrophobicContact CG1-CG 4.4Å; V324-E328 WeakPolarHBondContact O-CG 3.45Å; V324-E328 PolarHBondContact O-N 3.48Å; E328-K332 VanDerWaalsContact O-CG 3.3Å; E328-K332 WeakPolarHBondContact O-CG 3.4Å; E328-K332 PolarHBondContact O-N 2.8Å |
| 329 | R | 91.5 | Very high | 85.9 | Confident | 142 Ų | 142 | 93.9 Ų | 93.9 | 54% | 0.536 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 172.8 | -95.8 | -177.7 | -79.3 | 108.9 | 0.5 | 111.6 | A325 D326 L327 L331 K332 T333 | A325-R329 PolarHBondContact O-N 2.89Å; D326-R329 PolarHBondContact O-N 3.46Å; D326-R329 IonicContact OD1-CZ 3.75Å; D326-R329 IonicContact OD1-NH1 2.65Å; D326-R329 PolarHBondContact OD1-NH1 2.92Å; D326-R329 IonicContact OD1-NH2 2.62Å; D326-R329 PolarHBondContact OD1-NH2 3.45Å; L327-R329 VanDerWaalsContact C-N 3.32Å; L327-R329 PolarHBondContact O-N 2.66Å; R329-L331 VanDerWaalsContact C-N 3.32Å; R329-L331 PolarHBondContact O-N 3.28Å; R329-K332 PolarHBondContact O-N 3.29Å; R329-T333 PolarHBondContact O-N 2.75Å; R329-T333 PolarHBondContact O-OG1 2.95Å; R329-T333 VanDerWaalsContact O-OG1 3.05Å |
| 330 | K | 91.3 | Very high | 84.2 | Confident | 133 Ų | 133 | 97.5 Ų | 97.5 | 58% | 0.578 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | 177.4 | -72.7 | 178.7 | 178.7 | -172.4 | 0 | 111.7 | D326 L327 T333 L334 | D326-K330 WeakPolarHBondContact O-CG 3.48Å; D326-K330 PolarHBondContact O-N 3.11Å; L327-K330 PolarHBondContact O-N 2.95Å; K330-T333 PolarHBondContact O-N 2.82Å; K330-L334 WeakPolarHBondContact O-CB 3.31Å; K330-L334 VanDerWaalsContact O-CG 3.22Å; K330-L334 WeakPolarHBondContact O-CG 3.38Å; K330-L334 PolarHBondContact O-N 3.48Å |
| 331 | L | 86.1 | Confident | 82.2 | Confident | 61 Ų | 61 | 98.1 Ų | 98.1 | 32% | 0.319 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.6 | -54.3 | 173.9 | 174.2 | 61.1 | 0 | 0 | 0 | 110.7 | L327 R329 T333 L334 E335 W340 | L327-L331 VanDerWaalsContact O-CB 3.28Å; L327-L331 WeakPolarHBondContact O-CB 3.44Å; L327-L331 PolarHBondContact O-N 2.98Å; R329-L331 VanDerWaalsContact C-N 3.32Å; R329-L331 PolarHBondContact O-N 3.28Å; L331-T333 VanDerWaalsContact C-N 3.33Å; L331-T333 PolarHBondContact O-N 3.46Å; L331-L334 PolarHBondContact O-N 2.96Å; L331-L334 VanDerWaalsContact O-N 3.12Å; L331-E335 HydrophobicContact CD1-CG 4.27Å; L331-E335 WeakPolarHBondContact O-CG 3.3Å; L331-E335 PolarHBondContact O-N 3.46Å; L331-W340 HydrophobicContact CD1-CD2 4.36Å; L331-W340 HydrophobicContact CD1-CH2 3.22Å; L331-W340 HydrophobicContact CD1-CZ2 2.99Å; L331-W340 HydrophobicContact CD1-CZ3 4Å; L331-W340 HydrophobicContact CG-CZ2 4.42Å |
| 332 | K | 86.2 | Confident | 79.9 | Confident | 126 Ų | 126 | 104 Ų | 104 | 55% | 0.548 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 177.3 | -73 | 170.5 | -178.2 | 171.9 | 0 | 112.7 | E328 R329 L334 E335 V336 | E328-K332 VanDerWaalsContact O-CG 3.3Å; E328-K332 WeakPolarHBondContact O-CG 3.4Å; E328-K332 PolarHBondContact O-N 2.8Å; R329-K332 PolarHBondContact O-N 3.29Å; K332-L334 VanDerWaalsContact C-N 3.33Å; K332-L334 PolarHBondContact O-N 3.43Å; K332-E335 PolarHBondContact O-N 2.88Å; K332-V336 WeakPolarHBondContact O-CB 3.39Å; K332-V336 VanDerWaalsContact O-CG2 3.26Å; K332-V336 WeakPolarHBondContact O-CG2 3.44Å; K332-V336 PolarHBondContact O-N 2.78Å |
| 333 | T | 81.1 | Confident | 77.5 | Confident | 86 Ų | 86 | 105.9 Ų | 105.9 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.7 | -43.3 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | R329 K330 L331 V336 S337 | R329-T333 PolarHBondContact O-N 2.75Å; R329-T333 PolarHBondContact O-OG1 2.95Å; R329-T333 VanDerWaalsContact O-OG1 3.05Å; K330-T333 PolarHBondContact O-N 2.82Å; L331-T333 VanDerWaalsContact C-N 3.33Å; L331-T333 PolarHBondContact O-N 3.46Å; T333-V336 PolarHBondContact O-N 2.84Å; T333-S337 VanDerWaalsContact O-CB 3.31Å; T333-S337 WeakPolarHBondContact O-CB 3.47Å; T333-S337 PolarHBondContact O-N 3.24Å; T333-S337 PolarHBondContact O-OG 3.46Å |
| 334 | L | 78.9 | Confident | 75.1 | Confident | 74 Ų | 74 | 101.2 Ų | 101.2 | 39% | 0.387 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.5 | -34.2 | 179.6 | -69.1 | 169.3 | 0 | 0 | 0 | 112.4 | K330 L331 K332 S337 G338 L339 | K330-L334 WeakPolarHBondContact O-CB 3.31Å; K330-L334 VanDerWaalsContact O-CG 3.22Å; K330-L334 WeakPolarHBondContact O-CG 3.38Å; K330-L334 PolarHBondContact O-N 3.48Å; L331-L334 PolarHBondContact O-N 2.96Å; L331-L334 VanDerWaalsContact O-N 3.12Å; K332-L334 VanDerWaalsContact C-N 3.33Å; K332-L334 PolarHBondContact O-N 3.43Å; L334-S337 PolarHBondContact O-N 3.1Å; L334-G338 PolarHBondContact O-N 2.87Å; L334-L339 PolarHBondContact O-N 3.34Å |
| 335 | E | 77.8 | Confident | 72.4 | Confident | 109 Ų | 109 | 104 Ų | 104 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62 | -47.8 | 171.3 | -74.6 | 173.5 | 171 | 0 | 0 | 111.2 | L331 K332 S337 G338 | L331-E335 HydrophobicContact CD1-CG 4.27Å; L331-E335 WeakPolarHBondContact O-CG 3.3Å; L331-E335 PolarHBondContact O-N 3.46Å; K332-E335 PolarHBondContact O-N 2.88Å; E335-S337 VanDerWaalsContact C-N 3.28Å; E335-S337 PolarHBondContact O-N 2.98Å; E335-G338 PolarHBondContact O-N 2.85Å |
| 336 | V | 74.4 | Confident | 70 | Confident | 131 Ų | 131 | 113.6 Ų | 113.6 | 79% | 0.794 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.3 | -32.6 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | K332 T333 G338 | K332-V336 WeakPolarHBondContact O-CB 3.39Å; K332-V336 VanDerWaalsContact O-CG2 3.26Å; K332-V336 WeakPolarHBondContact O-CG2 3.44Å; K332-V336 PolarHBondContact O-N 2.78Å; T333-V336 PolarHBondContact O-N 2.84Å; V336-G338 VanDerWaalsContact C-N 3.27Å; V336-G338 PolarHBondContact O-N 3.13Å |
| 337 | S | 72 | Confident | 67.5 | Low | 67 Ų | 67 | 117.1 Ų | 117.1 | 47% | 0.469 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | -1.7 | 179.5 | -52.9 | 0 | 0 | 0 | 0 | 113.6 | T333 L334 E335 L339 | T333-S337 VanDerWaalsContact O-CB 3.31Å; T333-S337 WeakPolarHBondContact O-CB 3.47Å; T333-S337 PolarHBondContact O-N 3.24Å; T333-S337 PolarHBondContact O-OG 3.46Å; L334-S337 PolarHBondContact O-N 3.1Å; E335-S337 VanDerWaalsContact C-N 3.28Å; E335-S337 PolarHBondContact O-N 2.98Å; S337-L339 PolarHBondContact O-N 2.95Å; S337-L339 VanDerWaalsContact O-N 3.07Å |
| 338 | G | 65.9 | Low | 64.8 | Low | 51 Ų | 51 | 119.2 Ų | 119.2 | 53% | 0.526 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 67.7 | 4.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L334 E335 V336 W340 | L334-G338 PolarHBondContact O-N 2.87Å; E335-G338 PolarHBondContact O-N 2.85Å; V336-G338 VanDerWaalsContact C-N 3.27Å; V336-G338 PolarHBondContact O-N 3.13Å; G338-W340 PolarHBondContact O-N 3.2Å |
| 339 | L | 59.7 | Low | 61.8 | Low | 134 Ų | 134 | 123 Ų | 123 | 70% | 0.702 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 4.6 | -177.5 | -91.3 | 120.4 | 0 | 0 | 0 | 114.2 | L334 S337 S341 | L334-L339 PolarHBondContact O-N 3.34Å; S337-L339 PolarHBondContact O-N 2.95Å; S337-L339 VanDerWaalsContact O-N 3.07Å; L339-S341 VanDerWaalsContact C-N 3.3Å |
| 340 | W | 56.8 | Low | 59.3 | Low | 156 Ų | 156 | 121.1 Ų | 121.1 | 59% | 0.591 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -2.9 | 176.4 | -87.9 | 61.5 | 0 | 0 | 0 | 114.4 | L331 G338 L342 | L331-W340 HydrophobicContact CD1-CD2 4.36Å; L331-W340 HydrophobicContact CD1-CH2 3.22Å; L331-W340 HydrophobicContact CD1-CZ2 2.99Å; L331-W340 HydrophobicContact CD1-CZ3 4Å; L331-W340 HydrophobicContact CG-CZ2 4.42Å; G338-W340 PolarHBondContact O-N 3.2Å; W340-L342 PolarHBondContact O-N 3.47Å |
| 341 | S | 53.9 | Low | 56.6 | Low | 102 Ų | 102 | 121.9 Ų | 121.9 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | trans | -92.3 | 101.6 | 176 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | L339 | L339-S341 VanDerWaalsContact C-N 3.3Š| ||
| 342 | L | 45 | Very low | 54 | Low | 161 Ų | 161 | 124.9 Ų | 124.9 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | trans | -58.6 | 128.6 | 167 | -84.2 | 155.6 | 0 | 0 | 0 | 110 | W340 G344 | W340-L342 PolarHBondContact O-N 3.47Å; L342-G344 PolarHBondContact O-N 2.65Å | ||
| 343 | P | 43 | Very low | 51.7 | Low | 134 Ų | 134 | 128 Ų | 128 | 87% | 0.87 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -74.3 | 109.8 | 166.9 | -2 | 18.3 | 0 | 0 | 0 | 108.1 | ||
| 344 | G | 46.8 | Very low | 49.9 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 134.6 | 43.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | L342 | L342-G344 PolarHBondContact O-N 2.65Š|
| 345 | T | 38.4 | Very low | 47.8 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -154.4 | 66.2 | 154.1 | -34.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 346 | R | 42.1 | Very low | 45.9 | Very low | 238 Ų | 238 | 137.9 Ų | 137.9 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | trans | -117.7 | 91.8 | 156.7 | -87 | -172.8 | 172.7 | 173.8 | -0.9 | 106 | ||||
| 347 | D | 39.3 | Very low | 44.2 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -177.8 | 130 | 133.7 | -80.1 | -20.8 | 0 | 0 | 0 | 107.5 | ||
| 348 | N | 36.9 | Very low | 42.2 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 84 | 79.3 | -176.4 | -45 | -46.8 | 0 | 0 | 0 | 116.1 | ||
| 349 | M | 30.7 | Very low | 40.5 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | -176.5 | 92.9 | 117.8 | -95.5 | -169.2 | -165.6 | 0 | 0 | 108.4 | L351 | M349-L351 PolarHBondContact O-N 3Š| |||
| 350 | A | 39.9 | Very low | 39.1 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -62.4 | 112.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 351 | L | 32.9 | Very low | 38.2 | Very low | 150 Ų | 150 | 147 Ų | 147 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -166.4 | 102.9 | 153.9 | -103 | 167.7 | 0 | 0 | 0 | 110.4 | M349 | M349-L351 PolarHBondContact O-N 3Š| ||
| 352 | N | 31.9 | Very low | 36.8 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 66% | 0.663 | 81% | 0.81 | S | S | * | * | 75.4 | 86.6 | 129.5 | -150.8 | 29.2 | 0 | 0 | 0 | 118.8 | N354 | N352-N354 VanDerWaalsContact C-N 3.31Å; N352-N354 PolarHBondContact O-N 3.43Å | |||
| 353 | E | 39.4 | Very low | 36 | Very low | 190 Ų | 190 | 147.2 Ų | 147.2 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -63.2 | 91.9 | 145.5 | -79.5 | -179.8 | 139.4 | 0 | 0 | 109.4 | ||||
| 354 | N | 43.1 | Very low | 35.2 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | trans | -179.7 | 109.9 | 146.5 | -106.8 | -68.7 | 0 | 0 | 0 | 107.2 | N352 | N352-N354 VanDerWaalsContact C-N 3.31Å; N352-N354 PolarHBondContact O-N 3.43Å | ||
| 355 | L | 33.8 | Very low | 34.2 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | 165.5 | 109.9 | 140.1 | -84.7 | 158.7 | 0 | 0 | 0 | 107.5 | ||||
| 356 | Q | 37.7 | Very low | 33.7 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -57.6 | 151.7 | 157.4 | -72.5 | -167.9 | -30.6 | 0 | 0 | 109.6 | ||||
| 357 | P | 40 | Very low | 33.3 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | -142.3 | 125.1 | 123.5 | 21.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 358 | E | 28.4 | Very low | 33.1 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | 35.6 | 117.7 | 127.5 | -73.1 | 171.9 | 143.4 | 0 | 0 | 120.3 | |||||
| 359 | L | 31.2 | Very low | 32.6 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -68.3 | 123.9 | 159.5 | -67.8 | 168.2 | 0 | 0 | 0 | 110.7 | ||||
| 360 | H | 30.7 | Very low | 32.6 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | trans | -133.6 | 128.9 | 153.9 | -83.5 | -73.6 | 0 | 0 | 0 | 110.9 | ||||
| 361 | P | 37.3 | Very low | 32 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -93.4 | 139.4 | 174.1 | 34.5 | -28.3 | 0 | 0 | 0 | 110.2 | ||||
| 362 | T | 25.1 | Very low | 32.4 | Very low | 147 Ų | 147 | 140 Ų | 140 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -164 | 145.1 | 151.2 | -70 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 363 | C | 27 | Very low | 32.1 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -67.5 | 173.1 | -171.7 | -162.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 364 | A | 26.2 | Very low | 31.7 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | trans | -61.4 | -179.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 365 | T | 27.3 | Very low | 30.8 | Very low | 133 Ų | 133 | 142 Ų | 142 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | 98.4 | 113.5 | 162.5 | -26.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 366 | S | 26.8 | Very low | 30.5 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | 179.7 | 151 | 71.1 | 33 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 367 | L | 34.7 | Very low | 30.2 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -51 | 168.1 | 162.5 | -97.4 | 99.2 | 0 | 0 | 0 | 112.7 | ||||
| 368 | P | 34.6 | Very low | 29.6 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -134.3 | 136.1 | 108.6 | 28.4 | -12.5 | 0 | 0 | 0 | 115.4 | |||||
| 369 | N | 26.5 | Very low | 29.7 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 67% | 0.674 | 78% | 0.782 | S | S | * | * | trans | -53.3 | 135.2 | 154 | 176.4 | 29.9 | 0 | 0 | 0 | 112.4 | ||||
| 370 | T | 29.3 | Very low | 29.6 | Very low | 122 Ų | 122 | 140 Ų | 140 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | 157.8 | 117.8 | 121.8 | 34.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 371 | Q | 28.6 | Very low | 29.4 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -63.1 | 175 | 150.4 | -83.5 | -177.5 | -35.3 | 0 | 0 | 110.4 | ||||
| 372 | P | 41.1 | Very low | 29.1 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -140 | 165 | 11.2 | 36.3 | -16.7 | 0 | 0 | 0 | 115.8 | ||||
| 373 | L | 25.9 | Very low | 29.1 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -163.3 | 141 | 132.8 | -157 | 55.9 | 0 | 0 | 0 | 111.5 | ||||
| 374 | K | 29.8 | Very low | 29.2 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -72.1 | 144.7 | -180 | -61.1 | 167.2 | 172 | 178.9 | 0 | 111.4 | ||||
| 375 | D | 24.9 | Very low | 29.2 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | 176.9 | 138.3 | 106.7 | -96.8 | -13.6 | 0 | 0 | 0 | 112.9 | |||||
| 376 | D | 27.2 | Very low | 29.3 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 62.6 | 119.4 | 141.4 | -72.8 | -12.3 | 0 | 0 | 0 | 124.9 | ||||
| 377 | R | 30.9 | Very low | 29.4 | Very low | 219 Ų | 219 | 153.1 Ų | 153.1 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | 96.2 | 121 | 124.5 | -81.3 | 174.5 | 78.8 | 179.1 | 3.9 | 121 | |||||
| 378 | S | 28.9 | Very low | 29.1 | Very low | 97 Ų | 97 | 152.7 Ų | 152.7 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | 63.8 | 108.8 | 149.6 | 66 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 379 | S | 29.2 | Very low | 28.9 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | 60.3 | 97.9 | 75.5 | -51.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 380 | H | 29 | Very low | 29 | Very low | 199 Ų | 199 | 148.9 Ų | 148.9 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -138.8 | 108.7 | 137.1 | -113.3 | -76.8 | 0 | 0 | 0 | 109.4 | ||||
| 381 | E | 27.5 | Very low | 29 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -83.4 | 147.3 | 173.7 | -168.6 | 169.3 | 170.7 | 0 | 0 | 108.8 | ||||
| 382 | S | 29.8 | Very low | 29.1 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -39.9 | 144.2 | 166.3 | 39.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 383 | S | 25.3 | Very low | 28.8 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -154.3 | 109.7 | 149.9 | -167.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 384 | W | 30.3 | Very low | 28.9 | Very low | 253 Ų | 253 | 145.7 Ų | 145.7 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -81.1 | 130.3 | 159 | -76.2 | 87.5 | 0 | 0 | 0 | 107.6 | ||||
| 385 | E | 25.6 | Very low | 29.1 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | -146.1 | 122.2 | 162.9 | -140.2 | 171.5 | -154.5 | 0 | 0 | 111.3 | ||||
| 386 | C | 30.2 | Very low | 29.4 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -70 | 146.6 | 170.6 | -62 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 387 | R | 27.9 | Very low | 29.5 | Very low | 233 Ų | 233 | 142.8 Ų | 142.8 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -141.7 | 127.2 | 151.7 | -73.2 | -161.1 | 178.2 | -153.4 | -0.9 | 113.2 | ||||
| 388 | T | 29 | Very low | 29.5 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | trans | -90.4 | 171.5 | 164.6 | -9.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 389 | A | 30.9 | Very low | 29.4 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | trans | 88 | 124.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 390 | G | 27.8 | Very low | 29.5 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | cis | 114.3 | 115.8 | 22.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 391 | S | 28.7 | Very low | 29.5 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | 174.3 | 140.5 | 151.5 | -77.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 392 | D | 31.7 | Very low | 29.7 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -74.9 | -176.9 | 179.8 | -70.2 | -54.1 | 0 | 0 | 0 | 115.5 | ||||
| 393 | L | 33.4 | Very low | 29.6 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 94% | 0.937 | 82% | 0.816 | S | S | * | * | trans | 100.4 | 121.8 | 172.6 | -54.5 | 170.1 | 0 | 0 | 0 | 111.8 | ||||
| 394 | G | 29.7 | Very low | 30.7 | Very low | 64 Ų | 64 | 137.7 Ų | 137.7 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | cis | 129.6 | 145.6 | 22.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 395 | T | 33.4 | Very low | 30.6 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 97.9 | 106.2 | 162.7 | 83.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 396 | D | 31.1 | Very low | 30.7 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | 25.6 | 141 | 128.3 | -62.8 | -18.4 | 0 | 0 | 0 | 123 | |||||
| 397 | G | 28.8 | Very low | 30.6 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | 129.9 | 90.3 | 124.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 398 | A | 30.5 | Very low | 30.5 | Very low | 115 Ų | 115 | 126 Ų | 126 | 95% | 0.95 | 81% | 0.808 | S | S | * | * | trans | 18 | 139.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 399 | G | 27.7 | Very low | 30.4 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 145.3 | 97.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 400 | R | 30.9 | Very low | 30.3 | Very low | 219 Ų | 219 | 122.9 Ų | 122.9 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | 43 | 125.9 | 83 | -108 | -156.4 | 166.2 | -126.4 | -10.5 | 111.7 | |||||
| 401 | E | 29.8 | Very low | 30.5 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 60% | 0.603 | 81% | 0.813 | S | S | * | * | cis | -159.1 | 149.6 | 7.6 | -70.3 | 173.6 | 118.5 | 0 | 0 | 107.1 | ||||
| 402 | D | 30.9 | Very low | 31.2 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | 161.1 | 120.3 | 117.2 | -97 | -20.1 | 0 | 0 | 0 | 112.7 | |||||
| 403 | A | 28.6 | Very low | 31 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | trans | -80.7 | -176.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 404 | P | 46.9 | Very low | 30.7 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | cis | -150.6 | 179 | 23.8 | 40 | -16.6 | 0 | 0 | 0 | 119.6 | ||||
| 405 | A | 28.9 | Very low | 30.5 | Very low | 86 Ų | 86 | 125.2 Ų | 125.2 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 85.5 | 134.7 | 145.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 406 | L | 27 | Very low | 30.3 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | cis | -157.9 | 158.6 | 17.2 | -76 | 170 | 0 | 0 | 0 | 109.9 | ||||
| 407 | L | 28 | Very low | 30.2 | Very low | 153 Ų | 153 | 125 Ų | 125 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | 138.2 | 93.6 | 132.8 | -69.5 | 177.4 | 0 | 0 | 0 | 114 | ||||
| 408 | S | 26.9 | Very low | 30.4 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | 41 | 131.1 | 125.3 | -56.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 409 | G | 26.9 | Very low | 30.2 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 134.5 | 92.5 | 136 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 410 | A | 29.6 | Very low | 30.1 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -80.9 | 141.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 411 | D | 31.3 | Very low | 30.1 | Very low | 164 Ų | 164 | 127.9 Ų | 127.9 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -90 | 147.1 | 161.4 | -87.8 | -32.2 | 0 | 0 | 0 | 110.9 | ||||
| 412 | P | 43.5 | Very low | 30.1 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | trans | -128.6 | 127.6 | 156.2 | 33.2 | -17.4 | 0 | 0 | 0 | 114.3 | ||||
| 413 | F | 26.8 | Very low | 29.9 | Very low | 202 Ų | 202 | 124.6 Ų | 124.6 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | 41.2 | 149.7 | 129 | -68.9 | -78.1 | 0 | 0 | 0 | 124.5 | |||||
| 414 | A | 26.5 | Very low | 30 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | 81.7 | 142.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 415 | G | 25.5 | Very low | 29.1 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | cis | 138.7 | 129.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 416 | V | 29.1 | Very low | 29.2 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | trans | 78.2 | 124.2 | 148.2 | 178.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 417 | E | 29.4 | Very low | 29.2 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 45.9 | 136.8 | 144.9 | -64.4 | 169 | 177.8 | 0 | 0 | 123 | ||||
| 418 | T | 32.6 | Very low | 29.1 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | -167.4 | 147.7 | 118.1 | 46.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 419 | D | 26.6 | Very low | 29 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -57.1 | 157.6 | 173.2 | -78.7 | -51.6 | 0 | 0 | 0 | 118.6 | ||||
| 420 | G | 26.6 | Very low | 29 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 71.3 | 155.5 | 136.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 421 | I | 29.9 | Very low | 28.7 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | cis | -162.6 | 141.1 | 22.2 | -61 | 160.4 | 0 | 0 | 0 | 104.3 | ||||
| 422 | D | 29.6 | Very low | 28.7 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | 164 | 141.3 | 106.5 | -146.6 | 14.2 | 0 | 0 | 0 | 105 | |||||
| 423 | G | 28 | Very low | 27.9 | Very low | 57 Ų | 57 | 142.2 Ų | 142.2 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | cis | 140.9 | 126.1 | 15.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 424 | R | 31.1 | Very low | 28.1 | Very low | 225 Ų | 225 | 139.9 Ų | 139.9 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | trans | 53.2 | 144.5 | 153.2 | -87.5 | 176 | -176.2 | -103.7 | -1.6 | 118.3 | ||||
| 425 | E | 27.2 | Very low | 28.7 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -178.6 | 150.1 | 32.8 | -141.5 | 157.7 | -148.4 | 0 | 0 | 106 | ||||
| 426 | G | 30.6 | Very low | 29.2 | Very low | 83 Ų | 83 | 145.8 Ų | 145.8 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 163.8 | 96.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 427 | E | 27 | Very low | 29.9 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | trans | -110.9 | 136.7 | -161 | -177.4 | -180 | 174.5 | 0 | 0 | 111.6 | ||||
| 428 | I | 26.4 | Very low | 29.8 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 67% | 0.672 | 79% | 0.785 | S | S | * | * | trans | 56.5 | 132.4 | 143.4 | -51.8 | 169 | 0 | 0 | 0 | 120.3 | ||||
| 429 | V | 25.3 | Very low | 29.6 | Very low | 123 Ų | 123 | 142 Ų | 142 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | 153.1 | 116.5 | 116 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 430 | T | 26 | Very low | 29.6 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | -56.4 | 149.7 | 163.9 | 46.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 431 | L | 24.1 | Very low | 29.7 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -146.7 | 129.8 | 144.7 | -105.1 | 165.1 | 0 | 0 | 0 | 111.3 | ||||
| 432 | R | 30.3 | Very low | 29.4 | Very low | 220 Ų | 220 | 143.6 Ų | 143.6 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -59.2 | 157.6 | 171.6 | -78 | 174.9 | 161.9 | -160.2 | -5.6 | 112 | ||||
| 433 | D | 26.5 | Very low | 30.3 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | -177.2 | 113.8 | 107.4 | -85 | -22.6 | 0 | 0 | 0 | 110.3 | |||||
| 434 | D | 31.1 | Very low | 30.5 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -69.6 | 153.4 | 150.7 | -82.6 | -39.6 | 0 | 0 | 0 | 108.1 | ||||
| 435 | P | 39.4 | Very low | 30.7 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | -146.1 | 134.4 | 88.7 | 36.8 | -17.9 | 0 | 0 | 0 | 115 | |||||
| 436 | E | 35.6 | Very low | 30.9 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -44.4 | 162.4 | 140.4 | -96 | -166.7 | -169.9 | 0 | 0 | 111 | ||||
| 437 | P | 45.3 | Very low | 31 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | -165.2 | -171.6 | 57.9 | 46.6 | -23.1 | 0 | 0 | 0 | 118.9 | |||||
| 438 | E | 26.5 | Very low | 31.2 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | 105.2 | 116.9 | 136.5 | -86.4 | 170.9 | -157 | 0 | 0 | 119.6 | ||||
| 439 | D | 28.9 | Very low | 31.4 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | 95.2 | 133.1 | 129.5 | -73.3 | 1.4 | 0 | 0 | 0 | 119.2 | |||||
| 440 | E | 27.2 | Very low | 31.7 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 57% | 0.565 | 77% | 0.773 | S | S | * | * | cis | -174.2 | 156.7 | -0.5 | -125 | -179.4 | 156 | 0 | 0 | 109 | ||||
| 441 | R | 27.3 | Very low | 32 | Very low | 199 Ų | 199 | 149.3 Ų | 149.3 | 75% | 0.751 | 78% | 0.775 | S | S | * | * | trans | 77.1 | 99.8 | 143.7 | -73.1 | 169.2 | -163.2 | -93.9 | -11.9 | 122.4 | ||||
| 442 | S | 24.9 | Very low | 32.4 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 3.4 | 175.2 | 101.4 | -138.7 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 443 | P | 48.1 | Very low | 32.4 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | cis | -134.5 | -178.2 | -14.4 | 20.2 | 5.9 | 0 | 0 | 0 | 113.6 | ||||
| 444 | V | 31.1 | Very low | 32.7 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | -178.1 | 132.7 | 124.9 | 152.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 445 | E | 34.9 | Very low | 32.7 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -51.6 | 174.4 | 171.7 | -72.2 | -168.4 | 173.9 | 0 | 0 | 116.4 | ||||
| 446 | E | 33.2 | Very low | 32.8 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | cis | -176.9 | 145 | -7.6 | 162.6 | -173.4 | -148.4 | 0 | 0 | 103.7 | ||||
| 447 | A | 32.8 | Very low | 32.8 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | 167.6 | 120 | 141 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 448 | G | 29.6 | Very low | 33 | Very low | 77 Ų | 77 | 149.5 Ų | 149.5 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -79.7 | 164.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 449 | R | 30.2 | Very low | 33.4 | Very low | 244 Ų | 244 | 149.6 Ų | 149.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -162.7 | 150.7 | 142 | -117.9 | -178.5 | -151.7 | -93 | -1.4 | 109.9 | ||||
| 450 | E | 32.5 | Very low | 33.5 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -78.5 | 153.6 | -162.1 | -61.4 | 164.6 | 152.8 | 0 | 0 | 114.9 | ||||
| 451 | E | 31.6 | Very low | 33.9 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | 62 | 126.9 | 138.4 | -81.2 | -174.6 | 158.8 | 0 | 0 | 124.3 | ||||
| 452 | E | 33.4 | Very low | 34.2 | Very low | 190 Ų | 190 | 142.3 Ų | 142.3 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | 68.8 | 128.9 | 138.9 | -78.3 | -158.5 | 151.7 | 0 | 0 | 121.7 | ||||
| 453 | G | 29.3 | Very low | 35 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 140 | 94.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E455 | G453-E455 PolarHBondContact O-N 2.84Š| ||
| 454 | A | 33.4 | Very low | 34.9 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 128.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 455 | E | 32.2 | Very low | 35.7 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 135.7 | 162.4 | -67.7 | -172.7 | 167.8 | 0 | 0 | 109 | G453 E457 | G453-E455 PolarHBondContact O-N 2.84Å; E455-E457 PolarHBondContact O-N 3.19Å |
| 456 | D | 40.5 | Very low | 35.8 | Very low | 168 Ų | 168 | 143 Ų | 143 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 121.7 | 179.6 | -68.8 | -56.5 | 0 | 0 | 0 | 112.2 | ||
| 457 | E | 36.8 | Very low | 36 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -105.1 | 98 | 158.6 | -85.4 | -167 | 166.4 | 0 | 0 | 110.2 | E455 L459 | E455-E457 PolarHBondContact O-N 3.19Å; E457-L459 PolarHBondContact O-N 3.06Å | ||
| 458 | E | 47.6 | Very low | 36.4 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -21.9 | 110 | 144.1 | -176 | 174.9 | -171.3 | 0 | 0 | 113.7 | ||||
| 459 | L | 36.9 | Very low | 37.1 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -129.9 | 97.5 | 165 | -72.8 | 178.1 | 0 | 0 | 0 | 110.9 | E457 | E457-L459 PolarHBondContact O-N 3.06Š| ||
| 460 | G | 29.6 | Very low | 37.7 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | 48.3 | 96.9 | 124.2 | 0 | 0 | 0 | 0 | 0 | 118 | S462 | G460-S462 PolarHBondContact O-N 2.77Å; G460-S462 VanDerWaalsContact O-N 3.14Å | |||
| 461 | S | 36.4 | Very low | 38.4 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -57.5 | 104.1 | 155 | 156.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 462 | S | 34.1 | Very low | 38.8 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | -94.1 | 125.7 | 158.7 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | G460 E464 | G460-S462 PolarHBondContact O-N 2.77Å; G460-S462 VanDerWaalsContact O-N 3.14Å; S462-E464 PolarHBondContact O-N 3.43Å; S462-E464 VanDerWaalsContact O-N 3.12Å | ||
| 463 | V | 41.4 | Very low | 39.2 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -85.5 | 42.7 | -174.9 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 464 | E | 44.7 | Very low | 39.4 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | -104.2 | -2.2 | -176.3 | -89.3 | -165.8 | 162.5 | 0 | 0 | 114.8 | S462 G466 | S462-E464 PolarHBondContact O-N 3.43Å; S462-E464 VanDerWaalsContact O-N 3.12Å; E464-G466 VanDerWaalsContact C-N 3.25Å; E464-G466 PolarHBondContact O-N 2.79Å | ||
| 465 | E | 47.6 | Very low | 39.7 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 6.4 | -173.9 | -133.2 | 177.5 | -177.7 | 0 | 0 | 114.2 | ||
| 466 | G | 38.4 | Very low | 40.3 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -21.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | E464 | E464-G466 VanDerWaalsContact C-N 3.25Å; E464-G466 PolarHBondContact O-N 2.79Å |
| 467 | E | 37.3 | Very low | 40.3 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -89 | -26.8 | -176.8 | -89.5 | -177.4 | 151.8 | 0 | 0 | 113.3 | A469 A470 | E467-A469 VanDerWaalsContact C-N 3.32Å; E467-A469 PolarHBondContact O-N 3.17Å; E467-A470 PolarHBondContact O-N 3.4Å |
| 468 | E | 40.3 | Very low | 40.4 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 70% | 0.696 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -74.2 | -23.8 | -175.9 | -151.3 | 177.9 | -172.3 | 0 | 0 | 112.9 | A470 L471 | E468-A470 VanDerWaalsContact C-N 3.33Å; E468-A470 PolarHBondContact O-N 2.84Å; E468-L471 PolarHBondContact O-N 2.92Å |
| 469 | A | 45.2 | Very low | 40 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 57% | 0.57 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -71.7 | -24.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E467 | E467-A469 VanDerWaalsContact C-N 3.32Å; E467-A469 PolarHBondContact O-N 3.17Å |
| 470 | A | 42.3 | Very low | 40.2 | Very low | 69 Ų | 69 | 125.1 Ų | 125.1 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -77.7 | -33.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | E467 E468 A472 L473 | E467-A470 PolarHBondContact O-N 3.4Å; E468-A470 VanDerWaalsContact C-N 3.33Å; E468-A470 PolarHBondContact O-N 2.84Å; A470-A472 VanDerWaalsContact C-N 3.32Å; A470-A472 PolarHBondContact O-N 3.07Å; A470-L473 PolarHBondContact O-N 3.4Å |
| 471 | L | 46.6 | Very low | 40.6 | Very low | 126 Ų | 126 | 129 Ų | 129 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -72.2 | -24.5 | 178.9 | -68.4 | 173.4 | 0 | 0 | 0 | 113.1 | E468 L473 D474 | E468-L471 PolarHBondContact O-N 2.92Å; L471-L473 PolarHBondContact O-N 3.34Å; L471-D474 PolarHBondContact O-N 2.94Å |
| 472 | A | 40.8 | Very low | 40.9 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 58% | 0.579 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -17.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A470 | A470-A472 VanDerWaalsContact C-N 3.32Å; A470-A472 PolarHBondContact O-N 3.07Å |
| 473 | L | 41.8 | Very low | 41 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -6.1 | 176.9 | -67.8 | 176.4 | 0 | 0 | 0 | 113.7 | A470 L471 | A470-L473 PolarHBondContact O-N 3.4Å; L471-L473 PolarHBondContact O-N 3.34Å |
| 474 | D | 34.3 | Very low | 40.7 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | trans | -103.6 | 12.5 | -178.5 | -147.9 | 23.6 | 0 | 0 | 0 | 113.8 | L471 R476 | L471-D474 PolarHBondContact O-N 2.94Å; D474-R476 VanDerWaalsContact C-N 3.32Å; D474-R476 PolarHBondContact O-N 2.92Å | ||
| 475 | L | 39.6 | Very low | 40.4 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | trans | -67.2 | 95.1 | 166.5 | -81.9 | 164 | 0 | 0 | 0 | 109.1 | L477 | L475-L477 PolarHBondContact O-N 3.18Å; L475-L477 VanDerWaalsContact O-N 3.13Å | ||
| 476 | R | 43.6 | Very low | 40.1 | Very low | 229 Ų | 229 | 127.4 Ų | 127.4 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | trans | -29.2 | 116.9 | 164.8 | -72.8 | -177.7 | 171.9 | 162.2 | -1.2 | 110 | D474 T478 | D474-R476 VanDerWaalsContact C-N 3.32Å; D474-R476 PolarHBondContact O-N 2.92Å; R476-T478 PolarHBondContact O-N 3.34Å | ||
| 477 | L | 40.4 | Very low | 40.3 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | trans | -51.8 | 108.9 | 166.3 | -98.6 | 85.6 | 0 | 0 | 0 | 107.5 | L475 | L475-L477 PolarHBondContact O-N 3.18Å; L475-L477 VanDerWaalsContact O-N 3.13Å | ||
| 478 | T | 40.3 | Very low | 40.5 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 64% | 0.644 | 66% | 0.661 | S | S | * | * | trans | -64.4 | 139 | 179 | 45.5 | 0 | 0 | 0 | 0 | 109.9 | R476 S480 K481 | R476-T478 PolarHBondContact O-N 3.34Å; T478-S480 PolarHBondContact O-N 2.89Å; T478-K481 PolarHBondContact O-N 2.87Å; T478-K481 VanDerWaalsContact O-N 3.08Å | ||
| 479 | E | 39.3 | Very low | 40.3 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -20.7 | -173.6 | -67.4 | 172 | 148.8 | 0 | 0 | 114.1 | K481 L482 Q483 | E479-K481 PolarHBondContact O-N 3.07Å; E479-L482 PolarHBondContact O-N 3.09Å; E479-L482 VanDerWaalsContact O-N 3.16Å; E479-Q483 PolarHBondContact O-N 3.38Å |
| 480 | S | 40.4 | Very low | 39.8 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 57% | 0.573 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -59.1 | -25 | 174.9 | -63.1 | 0 | 0 | 0 | 0 | 114.7 | T478 | T478-S480 PolarHBondContact O-N 2.89Å |
| 481 | K | 38.2 | Very low | 39.5 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 67% | 0.665 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -84.3 | -21.9 | 178.9 | -132.5 | 175 | -174.2 | 178.1 | 0 | 113.3 | T478 E479 | T478-K481 PolarHBondContact O-N 2.87Å; T478-K481 VanDerWaalsContact O-N 3.08Å; E479-K481 PolarHBondContact O-N 3.07Å |
| 482 | L | 42.3 | Very low | 39.1 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 62% | 0.618 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -78.9 | -29.5 | 174.4 | -78.1 | 158.3 | 0 | 0 | 0 | 111.7 | E479 W484 L485 S486 | E479-L482 PolarHBondContact O-N 3.09Å; E479-L482 VanDerWaalsContact O-N 3.16Å; L482-W484 PolarHBondContact O-N 2.93Å; L482-L485 PolarHBondContact O-N 2.62Å; L482-S486 PolarHBondContact O-N 3.02Å |
| 483 | Q | 36.7 | Very low | 38.9 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 62% | 0.617 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.4 | -35.1 | 178.9 | -147 | 171.5 | 31 | 0 | 0 | 112.9 | E479 L485 S486 I487 | E479-Q483 PolarHBondContact O-N 3.38Å; Q483-L485 PolarHBondContact O-N 3.02Å; Q483-S486 PolarHBondContact O-N 2.8Å; Q483-I487 WeakPolarHBondContact O-CG1 3.45Å; Q483-I487 PolarHBondContact O-N 3.29Å |
| 484 | W | 35.2 | Very low | 38.5 | Very low | 213 Ų | 213 | 139 Ų | 139 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -66.6 | -32.4 | 175.7 | -89.7 | 80.7 | 0 | 0 | 0 | 113.6 | L482 A488 | L482-W484 PolarHBondContact O-N 2.93Å; W484-A488 PolarHBondContact O-N 2.79Å |
| 485 | L | 38.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 62% | 0.618 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -75.8 | -31 | 177.1 | -73.1 | 167.2 | 0 | 0 | 0 | 112.2 | L482 Q483 Q489 | L482-L485 PolarHBondContact O-N 2.62Å; Q483-L485 PolarHBondContact O-N 3.02Å; L485-Q489 PolarHBondContact O-N 2.9Å |
| 486 | S | 40 | Very low | 38 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 50% | 0.497 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -72.3 | -36 | 177.9 | -148.8 | 0 | 0 | 0 | 0 | 112.4 | L482 Q483 A488 Q489 T490 | L482-S486 PolarHBondContact O-N 3.02Å; Q483-S486 PolarHBondContact O-N 2.8Å; S486-A488 VanDerWaalsContact C-N 3.31Å; S486-A488 PolarHBondContact O-N 3.32Å; S486-Q489 PolarHBondContact O-N 2.95Å; S486-T490 PolarHBondContact O-N 2.93Å; S486-T490 PolarHBondContact O-OG1 2.95Å |
| 487 | I | 42.6 | Very low | 37.3 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 57% | 0.569 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -69.9 | -28 | 176.8 | -64.8 | 165.6 | 0 | 0 | 0 | 111.8 | Q483 T490 | Q483-I487 WeakPolarHBondContact O-CG1 3.45Å; Q483-I487 PolarHBondContact O-N 3.29Å; I487-T490 PolarHBondContact O-OG1 2.83Å |
| 488 | A | 41 | Very low | 36.6 | Very low | 62 Ų | 62 | 134.5 Ų | 134.5 | 51% | 0.512 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -74.1 | -29.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | W484 S486 | W484-A488 PolarHBondContact O-N 2.79Å; S486-A488 VanDerWaalsContact C-N 3.31Å; S486-A488 PolarHBondContact O-N 3.32Å |
| 489 | Q | 37.1 | Very low | 36 | Very low | 155 Ų | 155 | 135 Ų | 135 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -80.5 | -26.5 | 179.1 | -74.5 | -176.6 | -1.5 | 0 | 0 | 113.6 | L485 S486 S491 | L485-Q489 PolarHBondContact O-N 2.9Å; S486-Q489 PolarHBondContact O-N 2.95Å; Q489-S491 VanDerWaalsContact C-N 3.33Å |
| 490 | T | 34.7 | Very low | 35.6 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 63% | 0.632 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -77.7 | -17.4 | 178.5 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | S486 I487 V492 | S486-T490 PolarHBondContact O-N 2.93Å; S486-T490 PolarHBondContact O-OG1 2.95Å; I487-T490 PolarHBondContact O-OG1 2.83Å; T490-V492 VanDerWaalsContact C-N 3.31Å; T490-V492 PolarHBondContact O-N 2.84Å |
| 491 | S | 36.9 | Very low | 35 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -4.9 | 177.2 | -166.9 | 0 | 0 | 0 | 0 | 114.3 | Q489 | Q489-S491 VanDerWaalsContact C-N 3.33Š|
| 492 | V | 37.3 | Very low | 34.5 | Very low | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -2.1 | -176.7 | -179.9 | 0 | 0 | 0 | 0 | 113.3 | T490 | T490-V492 VanDerWaalsContact C-N 3.31Å; T490-V492 PolarHBondContact O-N 2.84Å |
| 493 | R | 37.3 | Very low | 33.9 | Very low | 217 Ų | 217 | 146.7 Ų | 146.7 | 82% | 0.819 | 75% | 0.75 | S | S | * | * | trans | -110.4 | 98.2 | 169.2 | -87.8 | -172.8 | -174.1 | 173.5 | 3.2 | 110.1 | ||||
| 494 | Y | 33 | Very low | 33.6 | Very low | 234 Ų | 234 | 145.3 Ų | 145.3 | 92% | 0.918 | 76% | 0.755 | S | S | * | * | trans | 177.5 | 87.1 | 137.3 | -93 | -67.2 | 0 | 0 | 0 | 109.5 | ||||
| 495 | S | 33.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -169.6 | 73.5 | 148.4 | -95.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 496 | E | 28.1 | Very low | 32.8 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | -104.3 | 111.2 | 157 | -89.4 | 178.3 | 160.9 | 0 | 0 | 107.4 | ||||
| 497 | V | 30.2 | Very low | 32.2 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -77.4 | 121.4 | 172.9 | 176.6 | 0 | 0 | 0 | 0 | 107.2 | C499 | V497-C499 PolarHBondContact O-N 2.84Š| ||
| 498 | S | 25.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -74.6 | 113.3 | 172.9 | 64.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 499 | C | 27.6 | Very low | 31 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -87.7 | 114 | 156.9 | -67.4 | 0 | 0 | 0 | 0 | 107.7 | V497 | V497-C499 PolarHBondContact O-N 2.84Š| ||
| 500 | Q | 29.8 | Very low | 30.6 | Very low | 179 Ų | 179 | 152.7 Ų | 152.7 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -87.3 | 105.5 | 166.8 | -82.8 | 179.7 | -16 | 0 | 0 | 108.3 | ||||
| 501 | D | 28.3 | Very low | 30.3 | Very low | 158 Ų | 158 | 156.3 Ų | 156.3 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -65.7 | 124.8 | 155.9 | -76.6 | -43 | 0 | 0 | 0 | 108.7 | ||||
| 502 | R | 28.5 | Very low | 29.9 | Very low | 234 Ų | 234 | 159.7 Ų | 159.7 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -106.5 | 110 | 163.5 | -103.5 | -173.3 | 176.6 | -174 | -0.5 | 108 | ||||
| 503 | E | 29.1 | Very low | 29.4 | Very low | 195 Ų | 195 | 157.9 Ų | 157.9 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -56.5 | 143.7 | 173.2 | -76.5 | 174 | 137.9 | 0 | 0 | 112.4 | ||||
| 504 | S | 31.1 | Very low | 29.1 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -92.5 | 141.1 | 173.4 | -48.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 505 | N | 28.8 | Very low | 28.9 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | 175.2 | 131.4 | 151.6 | -82.6 | -19.9 | 0 | 0 | 0 | 104.6 | ||||
| 506 | D | 27.8 | Very low | 28.7 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | cis | -156 | 144.5 | 33.1 | -94.9 | -42.9 | 0 | 0 | 0 | 112 | ||||
| 507 | A | 27.3 | Very low | 29 | Very low | 80 Ų | 80 | 144 Ų | 144 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | trans | 39.6 | 139.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 508 | L | 30 | Very low | 29.5 | Very low | 153 Ų | 153 | 144 Ų | 144 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | trans | 75.1 | 132.1 | 148.4 | -75.6 | 149.7 | 0 | 0 | 0 | 116.2 | ||||
| 509 | E | 28.9 | Very low | 30 | Very low | 168 Ų | 168 | 148 Ų | 148 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | cis | -158.6 | 169.5 | 23.5 | -105.9 | 173.4 | -176.9 | 0 | 0 | 111.3 | ||||
| 510 | H | 28.6 | Very low | 30.2 | Very low | 179 Ų | 179 | 148 Ų | 148 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -37.8 | 143.3 | 168.5 | -81.7 | -105.7 | 0 | 0 | 0 | 117.4 | ||||
| 511 | E | 27.5 | Very low | 30.3 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | 175.4 | 156.9 | 104 | -97.4 | -140.2 | 159 | 0 | 0 | 114.3 | |||||
| 512 | E | 28.5 | Very low | 31.1 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -61.3 | 155.9 | -179.9 | -62 | 175.7 | 129.5 | 0 | 0 | 114.7 | ||||
| 513 | A | 27.8 | Very low | 31.3 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | 144.3 | 115.5 | 123.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 514 | S | 30.6 | Very low | 31.5 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 45 | 125.6 | 124.5 | -55.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 515 | A | 28.8 | Very low | 31.4 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 75.5 | 147.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 516 | S | 28.8 | Very low | 31.6 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | cis | -161.7 | 151.2 | 24.5 | -46.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 517 | I | 36 | Very low | 31.8 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | trans | -66.9 | 147.3 | 159.3 | -63.8 | 160.7 | 0 | 0 | 0 | 108.6 | ||||
| 518 | P | 40 | Very low | 32.1 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | -139.1 | 160.8 | 110.8 | 28.6 | -9.5 | 0 | 0 | 0 | 115.3 | |||||
| 519 | K | 35.8 | Very low | 32.2 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -100.2 | 139.6 | -168.4 | -179.1 | -176.4 | -167.7 | 174 | 0 | 109.8 | ||||
| 520 | S | 31.2 | Very low | 32.3 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -169.9 | 97 | 152.2 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 521 | Q | 33.8 | Very low | 32.6 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | 38.4 | 163.5 | 117.3 | -98.2 | -157.7 | -22.4 | 0 | 0 | 122.9 | |||||
| 522 | P | 45 | Very low | 32.8 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | -116.5 | 172.1 | -124.7 | 41.9 | -27.5 | 0 | 0 | 0 | 113.7 | |||||
| 523 | T | 32.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -143.9 | 123.5 | 162.2 | 28 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 524 | E | 32.1 | Very low | 33.4 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -68.2 | 154.1 | 168.4 | -65.1 | 172 | 142 | 0 | 0 | 111.5 | ||||
| 525 | G | 29.2 | Very low | 33.6 | Very low | 80 Ų | 80 | 147.5 Ų | 147.5 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -167.8 | 96.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 526 | Q | 34.2 | Very low | 34.6 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -70.1 | 146.2 | 175.6 | -67.5 | 168.5 | -25.2 | 0 | 0 | 112.4 | ||||
| 527 | S | 31.7 | Very low | 35.1 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -162.7 | 116.9 | 135.3 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 528 | N | 32.4 | Very low | 35.4 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | -73.3 | 147.1 | 173.2 | -75.7 | -20.9 | 0 | 0 | 0 | 113 | ||||
| 529 | T | 33 | Very low | 36.3 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | 178.2 | 100.4 | 128.3 | 8.4 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 530 | E | 31.1 | Very low | 36.8 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | 64.8 | 104 | 86.7 | -165 | 174.5 | -165.1 | 0 | 0 | 114.3 | |||||
| 531 | W | 34.3 | Very low | 37.6 | Very low | 250 Ų | 250 | 144.7 Ų | 144.7 | 95% | 0.947 | 83% | 0.826 | S | S | * | * | trans | -146.5 | 103.3 | 148.1 | -77 | 91.9 | 0 | 0 | 0 | 108.6 | ||||
| 532 | D | 32.7 | Very low | 38.3 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 73% | 0.727 | 85% | 0.845 | S | S | * | * | trans | -71.6 | 133.2 | 165.9 | -90 | -35.3 | 0 | 0 | 0 | 110.6 | ||||
| 533 | I | 34.8 | Very low | 38 | Very low | 166 Ų | 166 | 150 Ų | 150 | 85% | 0.851 | 86% | 0.855 | S | S | * | * | trans | -134.1 | 115.3 | 151.3 | -60.6 | -176.8 | 0 | 0 | 0 | 109.3 | ||||
| 534 | H | 32.6 | Very low | 38.3 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 82% | 0.819 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 135.4 | 176.9 | -117.8 | -76.6 | 0 | 0 | 0 | 113.8 | ||
| 535 | C | 34.9 | Very low | 38.6 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 77% | 0.77 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 146.1 | 155.6 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 536 | P | 50.4 | Low | 39.2 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 84% | 0.838 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 129.3 | 162.9 | 30.9 | -23.9 | 0 | 0 | 0 | 111.4 | ||
| 537 | S | 38.8 | Very low | 39.5 | Very low | 121 Ų | 121 | 148.8 Ų | 148.8 | 85% | 0.846 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 138.2 | 165.8 | -89.7 | 0 | 0 | 0 | 0 | 111 | ||
| 538 | A | 43.3 | Very low | 40 | Very low | 98 Ų | 98 | 150.7 Ų | 150.7 | 81% | 0.81 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 143 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 539 | P | 58 | Low | 40.5 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 81% | 0.812 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 138.8 | 160.7 | 28.7 | -18 | 0 | 0 | 0 | 111 | ||
| 540 | G | 46.9 | Very low | 41.1 | Very low | 73 Ų | 73 | 152.2 Ų | 152.2 | 75% | 0.753 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 166.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 541 | M | 48.4 | Very low | 41.9 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 93% | 0.926 | 86% | 0.863 | S | S | * | * | trans | 12.8 | 115.6 | 151.6 | -67.7 | -179.5 | 165.5 | 0 | 0 | 117.4 | ||||
| 542 | I | 48.3 | Very low | 42.6 | Very low | 246 Ų | 246 | 143 Ų | 143 | 100% | 1.262 | 86% | 0.856 | S | S | * | * | -139.2 | 0 | 96.1 | -77.1 | 173.1 | 0 | 0 | 0 | 107.6 |
Retrieved 542 of 542 residues in 566.2 ms
(Link to these results)