| 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 | S | 30.6 | Very low | 68.7 | Low | 169 Ų | 169 | 101.3 Ų | 101.3 | 100% | 1.182 | 60% | 0.604 | S | S | * | * | 0 | 86.7 | 0 | -42.9 | 0 | 0 | 0 | 0 | 108.4 | M3 | S1-M3 PolarHBondContact O-N 3.1Å; S1-M3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | N | 35.6 | Very low | 70.7 | Confident | 169 Ų | 169 | 96.1 Ų | 96.1 | 90% | 0.904 | 57% | 0.571 | S | S | * | * | trans | -74.8 | 99 | 178.1 | -89.7 | 0.9 | 0 | 0 | 0 | 108 | A4 | N2-A4 VanDerWaalsContact C-N 3.26Å; N2-A4 PolarHBondContact O-N 2.98Å | ||
| 3 | M | 40.2 | Very low | 72.5 | Confident | 175 Ų | 175 | 95.7 Ų | 95.7 | 86% | 0.862 | 57% | 0.572 | S | S | * | * | trans | -66.7 | 96.5 | 159.6 | -73.3 | -168.5 | -67.2 | 0 | 0 | 106.3 | S1 V5 | S1-M3 PolarHBondContact O-N 3.1Å; S1-M3 VanDerWaalsContact O-N 3.1Å; M3-V5 VanDerWaalsContact C-N 3.25Å; M3-V5 PolarHBondContact O-N 3.45Å | ||
| 4 | A | 57.8 | Low | 74.1 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 79% | 0.793 | 57% | 0.567 | S | S | * | * | trans | -62.4 | 96 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | N2 N6 | N2-A4 VanDerWaalsContact C-N 3.26Å; N2-A4 PolarHBondContact O-N 2.98Å; A4-N6 PolarHBondContact O-N 3.16Å; A4-N6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | V | 65.6 | Low | 75.4 | Confident | 98 Ų | 98 | 90.1 Ų | 90.1 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | trans | -63.5 | 116.5 | 175.5 | 177.9 | 0 | 0 | 0 | 0 | 106.6 | M3 L7 L10 | M3-V5 VanDerWaalsContact C-N 3.25Å; M3-V5 PolarHBondContact O-N 3.45Å; V5-L7 PolarHBondContact O-N 2.88Å; V5-L10 HydrophobicContact CG1-CD1 4.29Å; V5-L10 HydrophobicContact CG1-CD2 4.1Å; V5-L10 HydrophobicContact CG1-CG 4.36Å | ||
| 6 | N | 82.6 | Confident | 76.7 | Confident | 86 Ų | 86 | 91.9 Ų | 91.9 | 46% | 0.46 | 53% | 0.531 | S | S | . | . | trans | -73.5 | 117.1 | 177.1 | -168.9 | -17.5 | 0 | 0 | 0 | 109 | A4 T8 D9 | A4-N6 PolarHBondContact O-N 3.16Å; A4-N6 VanDerWaalsContact O-N 3.16Å; N6-T8 VanDerWaalsContact CG-OG1 3.29Å; N6-T8 PolarHBondContact ND2-OG1 3.2Å; N6-T8 PolarHBondContact O-N 3.29Å; N6-T8 PolarHBondContact OD1-N 3.36Å; N6-T8 PolarHBondContact OD1-OG1 3.29Å; N6-D9 PolarHBondContact O-N 3.14Å; N6-D9 VanDerWaalsContact O-N 3.14Å | ||
| 7 | L | 83.7 | Confident | 77.8 | Confident | 43 Ų | 43 | 88.9 Ų | 88.9 | 23% | 0.225 | 53% | 0.525 | C | S | . | . | G | 310 helix | trans | -60.3 | -28.9 | -177 | -63.3 | 179.3 | 0 | 0 | 0 | 112.3 | V5 D9 L10 L18 A130 V131 V134 | V5-L7 PolarHBondContact O-N 2.88Å; L7-D9 PolarHBondContact O-N 2.89Å; L7-L10 HydrophobicContact CD2-CD1 4.2Å; L7-L10 PolarHBondContact O-N 3.2Å; L7-L18 HydrophobicContact CD2-CD2 3.94Å; L7-A130 HydrophobicContact CD1-CB 3.89Å; L7-V131 HydrophobicContact CD1-CG2 4.17Å; L7-V131 HydrophobicContact CD2-CG2 4.01Å; L7-V134 HydrophobicContact CB-CB 4.47Å; L7-V134 HydrophobicContact CB-CG1 4.4Å; L7-V134 HydrophobicContact CB-CG2 3.96Å; L7-V134 WeakPolarHBondContact O-CG1 3.44Å |
| 8 | T | 86.1 | Confident | 78.8 | Confident | 72 Ų | 72 | 86.4 Ų | 86.4 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -67.6 | -21.8 | -179.9 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | N6 L10 K138 | N6-T8 VanDerWaalsContact CG-OG1 3.29Å; N6-T8 PolarHBondContact ND2-OG1 3.2Å; N6-T8 PolarHBondContact O-N 3.29Å; N6-T8 PolarHBondContact OD1-N 3.36Å; N6-T8 PolarHBondContact OD1-OG1 3.29Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-K138 WeakPolarHBondContact O-CE 3.39Å; T8-K138 PolarHBondContact O-NZ 3.18Å |
| 9 | D | 90.1 | Very high | 79.7 | Confident | 125 Ų | 125 | 85.4 Ų | 85.4 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -87 | -12.2 | -175.7 | -58.8 | -14.7 | 0 | 0 | 0 | 111.8 | N6 L7 | N6-D9 PolarHBondContact O-N 3.14Å; N6-D9 VanDerWaalsContact O-N 3.14Å; L7-D9 PolarHBondContact O-N 2.89Å |
| 10 | L | 90.8 | Very high | 80.6 | Confident | 30 Ų | 30 | 82.6 Ų | 82.6 | 16% | 0.157 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -76.9 | 146.1 | 179 | -60.5 | 178.6 | 0 | 0 | 0 | 111.9 | V5 L7 T8 Q14 L15 L18 K138 | V5-L10 HydrophobicContact CG1-CD1 4.29Å; V5-L10 HydrophobicContact CG1-CD2 4.1Å; V5-L10 HydrophobicContact CG1-CG 4.36Å; L7-L10 HydrophobicContact CD2-CD1 4.2Å; L7-L10 PolarHBondContact O-N 3.2Å; T8-L10 VanDerWaalsContact C-N 3.34Å; L10-Q14 HydrophobicContact CB-CB 4.24Å; L10-Q14 HydrophobicContact CD2-CB 4.5Å; L10-L15 HydrophobicContact CB-CD2 3.88Å; L10-L15 HydrophobicContact CB-CG 3.85Å; L10-L15 HydrophobicContact CD1-CD2 3.84Å; L10-L15 HydrophobicContact CG-CD2 4.47Å; L10-L18 HydrophobicContact CD1-CD2 4.18Å; L10-K138 WeakPolarHBondContact O-CE 3.2Å; L10-K138 PolarHBondContact O-NZ 2.73Å |
| 11 | S | 92.5 | Very high | 81.4 | Confident | 51 Ų | 51 | 84.2 Ų | 84.2 | 36% | 0.357 | 49% | 0.49 | S | S | . | . | trans | -75.7 | 160.9 | 170.6 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | Q14 L15 | S11-Q14 WeakPolarHBondContact O-CB 3.48Å; S11-Q14 PolarHBondContact O-N 3.39Å; S11-Q14 VanDerWaalsContact O-N 3.11Å; S11-Q14 VanDerWaalsContact OG-CD 3.28Å; S11-Q14 VanDerWaalsContact OG-CG 3.31Å; S11-Q14 WeakPolarHBondContact OG-CG 3.41Å; S11-Q14 PolarHBondContact OG-OE1 2.74Å; S11-L15 WeakPolarHBondContact O-CG 3.43Å; S11-L15 PolarHBondContact O-N 2.76Å | ||
| 12 | L | 93.1 | Very high | 84.6 | Confident | 39 Ų | 39 | 76.4 Ų | 76.4 | 20% | 0.204 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -55.3 | -46.1 | 177.7 | -75.6 | 175.8 | 0 | 0 | 0 | 113.1 | Q14 L15 E16 M135 K138 I139 L142 | L12-Q14 VanDerWaalsContact C-N 3.29Å; L12-Q14 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 3.08Å; L12-L15 VanDerWaalsContact O-N 3.17Å; L12-E16 PolarHBondContact O-N 3.18Å; L12-M135 HydrophobicContact CD2-CB 4.41Å; L12-M135 HydrophobicContact CD2-CG 4.47Å; L12-K138 HydrophobicContact CD2-CB 3.78Å; L12-K138 HydrophobicContact CD2-CD 4.33Å; L12-K138 HydrophobicContact CG-CB 4.28Å; L12-I139 HydrophobicContact CD1-CG1 4.11Å; L12-I139 HydrophobicContact CD2-CG1 4.05Å; L12-L142 HydrophobicContact CD1-CD1 3.54Å |
| 13 | P | 94.3 | Very high | 87.5 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 59% | 0.591 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.1 | -35 | 175.9 | -25.9 | 35.8 | 0 | 0 | 0 | 113.8 | G17 | P13-G17 PolarHBondContact O-N 3.03Å |
| 14 | Q | 93.9 | Very high | 90.3 | Very high | 107 Ų | 107 | 68.6 Ų | 68.6 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 176.3 | -72.9 | 168.6 | -44.5 | 0 | 0 | 111.6 | L10 S11 L12 G17 L18 | L10-Q14 HydrophobicContact CB-CB 4.24Å; L10-Q14 HydrophobicContact CD2-CB 4.5Å; S11-Q14 WeakPolarHBondContact O-CB 3.48Å; S11-Q14 PolarHBondContact O-N 3.39Å; S11-Q14 VanDerWaalsContact O-N 3.11Å; S11-Q14 VanDerWaalsContact OG-CD 3.28Å; S11-Q14 VanDerWaalsContact OG-CG 3.31Å; S11-Q14 WeakPolarHBondContact OG-CG 3.41Å; S11-Q14 PolarHBondContact OG-OE1 2.74Å; L12-Q14 VanDerWaalsContact C-N 3.29Å; L12-Q14 PolarHBondContact O-N 3.4Å; Q14-G17 PolarHBondContact O-N 2.98Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 PolarHBondContact O-N 3.4Å |
| 15 | L | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 175.6 | -68.4 | 166.1 | 0 | 0 | 0 | 112 | L10 S11 L12 L18 K19 V131 V134 M135 K138 | L10-L15 HydrophobicContact CB-CD2 3.88Å; L10-L15 HydrophobicContact CB-CG 3.85Å; L10-L15 HydrophobicContact CD1-CD2 3.84Å; L10-L15 HydrophobicContact CG-CD2 4.47Å; S11-L15 WeakPolarHBondContact O-CG 3.43Å; S11-L15 PolarHBondContact O-N 2.76Å; L12-L15 PolarHBondContact O-N 3.08Å; L12-L15 VanDerWaalsContact O-N 3.17Å; L15-L18 PolarHBondContact O-N 3.19Å; L15-K19 VanDerWaalsContact O-CB 3.32Å; L15-K19 WeakPolarHBondContact O-CB 3.49Å; L15-K19 PolarHBondContact O-N 3.46Å; L15-V131 HydrophobicContact CB-CG1 4.28Å; L15-V131 HydrophobicContact CD2-CG1 4.1Å; L15-V131 WeakPolarHBondContact O-CG1 3.49Å; L15-V134 HydrophobicContact CD1-CG1 3.97Å; L15-V134 HydrophobicContact CD2-CG1 4.45Å; L15-M135 HydrophobicContact CB-CG 3.42Å; L15-M135 VanDerWaalsContact CB-CG 3.42Å; L15-M135 HydrophobicContact CB-SD 3.89Å; L15-M135 HydrophobicContact CD1-CG 3.82Å; L15-M135 HydrophobicContact CG-CG 4.17Å; L15-K138 HydrophobicContact CD1-CD 3.7Å |
| 16 | E | 95.2 | Very high | 93.7 | Very high | 119 Ų | 119 | 63.6 Ų | 63.6 | 56% | 0.556 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 172.8 | -76.7 | 175.8 | 174.1 | 0 | 0 | 111.8 | L12 K19 G20 M135 | L12-E16 PolarHBondContact O-N 3.18Å; E16-K19 PolarHBondContact O-N 3.21Å; E16-G20 PolarHBondContact O-N 3.47Å; E16-M135 HydrophobicContact CG-CE 3.44Å; E16-M135 VanDerWaalsContact CG-CE 3.44Å; E16-M135 HydrophobicContact CG-SD 4.47Å |
| 17 | G | 96.2 | Very high | 94.5 | Very high | 42 Ų | 42 | 66.2 Ų | 66.2 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P13 Q14 G20 Q21 | P13-G17 PolarHBondContact O-N 3.03Å; Q14-G17 PolarHBondContact O-N 2.98Å; G17-G20 PolarHBondContact O-N 2.8Å; G17-Q21 PolarHBondContact O-N 3.11Å; G17-Q21 VanDerWaalsContact O-N 3.09Å |
| 18 | L | 95.6 | Very high | 95.1 | Very high | 44 Ų | 44 | 70.9 Ų | 70.9 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.1 | 178.7 | 59.7 | 0 | 0 | 0 | 112 | L7 L10 Q14 L15 G20 Q21 L22 V131 | L7-L18 HydrophobicContact CD2-CD2 3.94Å; L10-L18 HydrophobicContact CD1-CD2 4.18Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 3.19Å; L18-G20 VanDerWaalsContact C-N 3.31Å; L18-G20 PolarHBondContact O-N 3.42Å; L18-Q21 PolarHBondContact O-N 3.14Å; L18-L22 HydrophobicContact CD1-CD1 4.21Å; L18-L22 HydrophobicContact CD1-CG 4.32Å; L18-L22 HydrophobicContact CG-CD1 4.04Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.39Å; L18-V131 HydrophobicContact CD2-CG2 3.62Å; L18-V131 HydrophobicContact CG-CG2 4.06Å |
| 19 | K | 96.3 | Very high | 95.7 | Very high | 66 Ų | 66 | 68.9 Ų | 68.9 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 174.2 | -179.7 | -169.4 | 169.3 | -65.5 | 0 | 110.8 | L15 E16 Q21 L22 D23 V131 I132 M135 | L15-K19 VanDerWaalsContact O-CB 3.32Å; L15-K19 WeakPolarHBondContact O-CB 3.49Å; L15-K19 PolarHBondContact O-N 3.46Å; E16-K19 PolarHBondContact O-N 3.21Å; K19-Q21 VanDerWaalsContact C-N 3.34Å; K19-Q21 PolarHBondContact O-N 2.75Å; K19-L22 PolarHBondContact O-N 2.98Å; K19-D23 IonicContact NZ-OD2 3.73Å; K19-D23 PolarHBondContact NZ-OD2 3.18Å; K19-D23 WeakPolarHBondContact O-CB 3.47Å; K19-D23 PolarHBondContact O-N 3.46Å; K19-V131 HydrophobicContact CB-CG1 4.05Å; K19-I132 HydrophobicContact CD-CG1 4.13Å; K19-I132 HydrophobicContact CG-CG1 4.46Å; K19-M135 HydrophobicContact CB-SD 4.49Å; K19-M135 HydrophobicContact CD-SD 4.33Å |
| 20 | G | 97.4 | Very high | 96.1 | Very high | 30 Ų | 30 | 66 Ų | 66 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E16 G17 L18 D23 Q24 | E16-G20 PolarHBondContact O-N 3.47Å; G17-G20 PolarHBondContact O-N 2.8Å; L18-G20 VanDerWaalsContact C-N 3.31Å; L18-G20 PolarHBondContact O-N 3.42Å; G20-D23 PolarHBondContact O-N 3.05Å; G20-Q24 WeakPolarHBondContact O-CG 3.38Å; G20-Q24 PolarHBondContact O-N 2.98Å |
| 21 | Q | 97 | Very high | 96.4 | Very high | 116 Ų | 116 | 67.2 Ų | 67.2 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 174.2 | -69.9 | 175.1 | -10.4 | 0 | 0 | 111.7 | G17 L18 K19 D23 Q24 E25 | G17-Q21 PolarHBondContact O-N 3.11Å; G17-Q21 VanDerWaalsContact O-N 3.09Å; L18-Q21 PolarHBondContact O-N 3.14Å; K19-Q21 VanDerWaalsContact C-N 3.34Å; K19-Q21 PolarHBondContact O-N 2.75Å; Q21-D23 VanDerWaalsContact C-N 3.29Å; Q21-D23 PolarHBondContact O-N 3.23Å; Q21-Q24 PolarHBondContact O-N 3.05Å; Q21-E25 WeakPolarHBondContact O-CG 3.37Å; Q21-E25 PolarHBondContact O-N 3.26Å |
| 22 | L | 97.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 178.7 | -69.1 | 168.2 | 0 | 0 | 0 | 112.3 | L18 K19 E25 V26 K124 M127 K128 V131 | L18-L22 HydrophobicContact CD1-CD1 4.21Å; L18-L22 HydrophobicContact CD1-CG 4.32Å; L18-L22 HydrophobicContact CG-CD1 4.04Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.39Å; K19-L22 PolarHBondContact O-N 2.98Å; L22-E25 PolarHBondContact O-N 3.48Å; L22-V26 WeakPolarHBondContact O-CB 3.46Å; L22-V26 VanDerWaalsContact O-CG2 3.26Å; L22-V26 WeakPolarHBondContact O-CG2 3.01Å; L22-V26 PolarHBondContact O-N 3.38Å; L22-K124 HydrophobicContact CD2-CD 3.97Å; L22-M127 HydrophobicContact CD1-CB 4.21Å; L22-M127 HydrophobicContact CD2-CB 4.2Å; L22-M127 HydrophobicContact CD2-CE 4.47Å; L22-K128 HydrophobicContact CB-CB 4.08Å; L22-K128 HydrophobicContact CD1-CB 4.25Å; L22-V131 HydrophobicContact CD1-CG2 3.95Å |
| 23 | D | 97.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 64.9 Ų | 64.9 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 173.6 | -79.9 | -33.1 | 0 | 0 | 0 | 111.5 | K19 G20 Q21 V26 E27 K128 | K19-D23 IonicContact NZ-OD2 3.73Å; K19-D23 PolarHBondContact NZ-OD2 3.18Å; K19-D23 WeakPolarHBondContact O-CB 3.47Å; K19-D23 PolarHBondContact O-N 3.46Å; G20-D23 PolarHBondContact O-N 3.05Å; Q21-D23 VanDerWaalsContact C-N 3.29Å; Q21-D23 PolarHBondContact O-N 3.23Å; D23-V26 PolarHBondContact O-N 3.41Å; D23-E27 WeakPolarHBondContact O-CB 3.36Å; D23-E27 PolarHBondContact O-N 3.44Å; D23-K128 VanDerWaalsContact OD1-CD 3.24Å; D23-K128 WeakPolarHBondContact OD1-CD 3.39Å; D23-K128 WeakPolarHBondContact OD1-CE 3.45Å; D23-K128 IonicContact OD1-NZ 2.69Å; D23-K128 PolarHBondContact OD1-NZ 2.81Å |
| 24 | Q | 98.1 | Very high | 97.1 | Very high | 137 Ų | 137 | 63.6 Ų | 63.6 | 64% | 0.64 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 177.8 | -69.2 | 175.2 | -9.7 | 0 | 0 | 112.2 | G20 Q21 E27 F28 | G20-Q24 WeakPolarHBondContact O-CG 3.38Å; G20-Q24 PolarHBondContact O-N 2.98Å; Q21-Q24 PolarHBondContact O-N 3.05Å; Q24-E27 PolarHBondContact O-N 2.96Å; Q24-F28 WeakPolarHBondContact O-CB 3.49Å; Q24-F28 PolarHBondContact O-N 3.37Å |
| 25 | E | 97.5 | Very high | 97.3 | Very high | 77 Ų | 77 | 64.4 Ų | 64.4 | 36% | 0.36 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.5 | -71.2 | -178.7 | 173.4 | 0 | 0 | 111.7 | Q21 L22 F28 L29 K124 | Q21-E25 WeakPolarHBondContact O-CG 3.37Å; Q21-E25 PolarHBondContact O-N 3.26Å; L22-E25 PolarHBondContact O-N 3.48Å; E25-F28 PolarHBondContact O-N 3.01Å; E25-L29 VanDerWaalsContact O-CG 3.26Å; E25-L29 WeakPolarHBondContact O-CG 3.45Å; E25-L29 PolarHBondContact O-N 3.31Å; E25-K124 IonicContact OE1-NZ 3.2Å; E25-K124 WeakPolarHBondContact OE2-CD 3.19Å; E25-K124 WeakPolarHBondContact OE2-CE 3.49Å; E25-K124 IonicContact OE2-NZ 2.66Å; E25-K124 PolarHBondContact OE2-NZ 3.05Å |
| 26 | V | 98.1 | Very high | 97.4 | Very high | 12 Ų | 12 | 66.4 Ų | 66.4 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 175.7 | 162 | 0 | 0 | 0 | 0 | 111 | L22 D23 L29 T30 L121 K124 H125 | L22-V26 WeakPolarHBondContact O-CB 3.46Å; L22-V26 VanDerWaalsContact O-CG2 3.26Å; L22-V26 WeakPolarHBondContact O-CG2 3.01Å; L22-V26 PolarHBondContact O-N 3.38Å; D23-V26 PolarHBondContact O-N 3.41Å; V26-L29 PolarHBondContact O-N 2.95Å; V26-T30 VanDerWaalsContact O-CB 3.26Å; V26-T30 WeakPolarHBondContact O-CB 3.44Å; V26-T30 PolarHBondContact O-N 3.48Å; V26-T30 PolarHBondContact O-OG1 3.31Å; V26-L121 HydrophobicContact CB-CD1 4.42Å; V26-L121 HydrophobicContact CG1-CD1 4.11Å; V26-L121 HydrophobicContact CG2-CD1 4.42Å; V26-K124 HydrophobicContact CG2-CB 3.87Å; V26-H125 WeakPolarHBondContact CG1-CE1 3.38Å; V26-H125 WeakPolarHBondContact CG1-NE2 3.41Å |
| 27 | E | 98.2 | Very high | 97.6 | Very high | 142 Ų | 142 | 65.6 Ų | 65.6 | 66% | 0.664 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 178.1 | -175.9 | 177.2 | -176.1 | 0 | 0 | 111.3 | D23 Q24 L29 T30 S31 | D23-E27 WeakPolarHBondContact O-CB 3.36Å; D23-E27 PolarHBondContact O-N 3.44Å; Q24-E27 PolarHBondContact O-N 2.96Å; E27-L29 PolarHBondContact O-N 2.99Å; E27-T30 PolarHBondContact O-N 3.35Å; E27-S31 WeakPolarHBondContact O-CB 3.02Å; E27-S31 PolarHBondContact O-N 3.34Å |
| 28 | F | 97.9 | Very high | 97.7 | Very high | 141 Ų | 141 | 68 Ų | 68 | 62% | 0.618 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.4 | -49 | 178.1 | 174.7 | -100.4 | 0 | 0 | 0 | 112.4 | Q24 E25 S31 S32 | Q24-F28 WeakPolarHBondContact O-CB 3.49Å; Q24-F28 PolarHBondContact O-N 3.37Å; E25-F28 PolarHBondContact O-N 3.01Å; F28-S31 PolarHBondContact O-N 3.48Å; F28-S32 WeakPolarHBondContact O-CB 3.38Å; F28-S32 PolarHBondContact O-N 3.39Å; F28-S32 PolarHBondContact O-OG 3Å |
| 29 | L | 97.9 | Very high | 97.7 | Very high | 29 Ų | 29 | 67.6 Ų | 67.6 | 15% | 0.152 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 179.9 | -65.4 | 173.5 | 0 | 0 | 0 | 111.5 | E25 V26 E27 S32 I33 I117 A120 L121 K124 | E25-L29 VanDerWaalsContact O-CG 3.26Å; E25-L29 WeakPolarHBondContact O-CG 3.45Å; E25-L29 PolarHBondContact O-N 3.31Å; V26-L29 PolarHBondContact O-N 2.95Å; E27-L29 PolarHBondContact O-N 2.99Å; L29-S32 PolarHBondContact O-N 3.47Å; L29-I33 WeakPolarHBondContact O-CG1 3.4Å; L29-I33 PolarHBondContact O-N 3.35Å; L29-I117 HydrophobicContact CB-CG2 4.31Å; L29-I117 HydrophobicContact CD2-CG2 3.85Å; L29-A120 HydrophobicContact CD1-CB 4.42Å; L29-L121 HydrophobicContact CB-CB 4.2Å; L29-L121 HydrophobicContact CB-CD1 4Å; L29-L121 HydrophobicContact CD1-CB 4.31Å; L29-K124 HydrophobicContact CD1-CG 4.09Å |
| 30 | T | 98 | Very high | 97.8 | Very high | 66 Ų | 66 | 66 Ų | 66 | 41% | 0.405 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | V26 E27 S32 I33 S34 | V26-T30 VanDerWaalsContact O-CB 3.26Å; V26-T30 WeakPolarHBondContact O-CB 3.44Å; V26-T30 PolarHBondContact O-N 3.48Å; V26-T30 PolarHBondContact O-OG1 3.31Å; E27-T30 PolarHBondContact O-N 3.35Å; T30-S32 VanDerWaalsContact C-N 3.33Å; T30-S32 PolarHBondContact O-N 3.4Å; T30-I33 PolarHBondContact O-N 2.66Å; T30-S34 PolarHBondContact O-N 2.99Å |
| 31 | S | 97.9 | Very high | 97.8 | Very high | 54 Ų | 54 | 68.5 Ų | 68.5 | 38% | 0.378 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 176.5 | -177 | 0 | 0 | 0 | 0 | 111.4 | E27 F28 I33 S34 Q35 | E27-S31 WeakPolarHBondContact O-CB 3.02Å; E27-S31 PolarHBondContact O-N 3.34Å; F28-S31 PolarHBondContact O-N 3.48Å; S31-I33 PolarHBondContact O-N 3.04Å; S31-S34 WeakPolarHBondContact O-CB 3.16Å; S31-S34 PolarHBondContact O-N 3.5Å; S31-Q35 WeakPolarHBondContact O-CG 3.37Å; S31-Q35 PolarHBondContact O-N 3.08Å; S31-Q35 PolarHBondContact OG-NE2 3.35Å |
| 32 | S | 97.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 69.5 Ų | 69.5 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 176.9 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | F28 L29 T30 S34 Q35 L36 | F28-S32 WeakPolarHBondContact O-CB 3.38Å; F28-S32 PolarHBondContact O-N 3.39Å; F28-S32 PolarHBondContact O-OG 3Å; L29-S32 PolarHBondContact O-N 3.47Å; T30-S32 VanDerWaalsContact C-N 3.33Å; T30-S32 PolarHBondContact O-N 3.4Å; S32-S34 VanDerWaalsContact C-N 3.33Å; S32-S34 PolarHBondContact O-N 3.04Å; S32-Q35 PolarHBondContact O-N 3.11Å; S32-L36 VanDerWaalsContact O-CG 3.3Å; S32-L36 WeakPolarHBondContact O-CG 3.32Å; S32-L36 PolarHBondContact O-N 3.36Å |
| 33 | I | 98.1 | Very high | 97.9 | Very high | 15 Ų | 15 | 72 Ų | 72 | 8% | 0.077 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.6 | -71.1 | 174.6 | 0 | 0 | 0 | 111 | L29 T30 S31 L36 K37 I114 I117 Q118 L121 | L29-I33 WeakPolarHBondContact O-CG1 3.4Å; L29-I33 PolarHBondContact O-N 3.35Å; T30-I33 PolarHBondContact O-N 2.66Å; S31-I33 PolarHBondContact O-N 3.04Å; I33-L36 PolarHBondContact O-N 3.39Å; I33-K37 HydrophobicContact CG2-CD 4.2Å; I33-K37 HydrophobicContact CG2-CG 4.46Å; I33-K37 WeakPolarHBondContact O-CG 3.31Å; I33-K37 PolarHBondContact O-N 3.45Å; I33-I114 HydrophobicContact CG2-CG2 4.08Å; I33-I117 HydrophobicContact CD1-CB 4.37Å; I33-I117 HydrophobicContact CD1-CG2 3.95Å; I33-I117 HydrophobicContact CG1-CB 4.18Å; I33-I117 HydrophobicContact CG1-CG2 3.82Å; I33-Q118 HydrophobicContact CD1-CB 4.43Å; I33-L121 HydrophobicContact CD1-CD2 3.77Å |
| 34 | S | 98.2 | Very high | 97.9 | Very high | 64 Ų | 64 | 72.1 Ų | 72.1 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 178.6 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | T30 S31 S32 L36 K37 I38 | T30-S34 PolarHBondContact O-N 2.99Å; S31-S34 WeakPolarHBondContact O-CB 3.16Å; S31-S34 PolarHBondContact O-N 3.5Å; S32-S34 VanDerWaalsContact C-N 3.33Å; S32-S34 PolarHBondContact O-N 3.04Å; S34-L36 PolarHBondContact O-N 2.95Å; S34-K37 WeakPolarHBondContact O-CB 3.49Å; S34-K37 PolarHBondContact O-N 3.04Å; S34-I38 WeakPolarHBondContact O-CG1 3.36Å; S34-I38 PolarHBondContact O-N 2.92Å |
| 35 | Q | 98 | Very high | 97.8 | Very high | 125 Ų | 125 | 71.5 Ų | 71.5 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 177.7 | -68.8 | 176.6 | 18.1 | 0 | 0 | 112.2 | S31 S32 K37 I38 A39 | S31-Q35 WeakPolarHBondContact O-CG 3.37Å; S31-Q35 PolarHBondContact O-N 3.08Å; S31-Q35 PolarHBondContact OG-NE2 3.35Å; S32-Q35 PolarHBondContact O-N 3.11Å; Q35-K37 VanDerWaalsContact C-N 3.33Å; Q35-K37 PolarHBondContact O-N 3.29Å; Q35-I38 PolarHBondContact O-N 3.44Å; Q35-A39 PolarHBondContact O-N 2.83Å |
| 36 | L | 98 | Very high | 97.7 | Very high | 41 Ų | 41 | 69.3 Ų | 69.3 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.9 | -39 | 175.7 | -68.9 | 171.8 | 0 | 0 | 0 | 111.9 | S32 I33 S34 A39 Q40 L110 Q113 I114 I117 | S32-L36 VanDerWaalsContact O-CG 3.3Å; S32-L36 WeakPolarHBondContact O-CG 3.32Å; S32-L36 PolarHBondContact O-N 3.36Å; I33-L36 PolarHBondContact O-N 3.39Å; S34-L36 PolarHBondContact O-N 2.95Å; L36-A39 PolarHBondContact O-N 3.17Å; L36-Q40 WeakPolarHBondContact O-CB 3.32Å; L36-Q40 PolarHBondContact O-N 3.22Å; L36-L110 HydrophobicContact CD2-CD2 3.77Å; L36-Q113 HydrophobicContact CD1-CB 4.23Å; L36-I114 HydrophobicContact CB-CD1 3.95Å; L36-I114 HydrophobicContact CB-CG1 3.67Å; L36-I114 HydrophobicContact CD1-CG1 3.97Å; L36-I114 HydrophobicContact CG-CG1 4.48Å; L36-I117 HydrophobicContact CD1-CD1 3.64Å |
| 37 | K | 98 | Very high | 97.6 | Very high | 102 Ų | 102 | 71.8 Ų | 71.8 | 44% | 0.443 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 175 | -76.3 | -178.7 | 176.1 | -176.9 | 0 | 112.4 | I33 S34 Q35 A39 Q40 N41 I114 | I33-K37 HydrophobicContact CG2-CD 4.2Å; I33-K37 HydrophobicContact CG2-CG 4.46Å; I33-K37 WeakPolarHBondContact O-CG 3.31Å; I33-K37 PolarHBondContact O-N 3.45Å; S34-K37 WeakPolarHBondContact O-CB 3.49Å; S34-K37 PolarHBondContact O-N 3.04Å; Q35-K37 VanDerWaalsContact C-N 3.33Å; Q35-K37 PolarHBondContact O-N 3.29Å; K37-A39 VanDerWaalsContact C-N 3.32Å; K37-A39 PolarHBondContact O-N 3.32Å; K37-Q40 PolarHBondContact O-N 3.45Å; K37-N41 WeakPolarHBondContact O-CB 3.45Å; K37-N41 VanDerWaalsContact O-CG 3.3Å; K37-N41 PolarHBondContact O-N 2.95Å; K37-I114 HydrophobicContact CG-CD1 3.8Å |
| 38 | I | 98.2 | Very high | 97.5 | Very high | 92 Ų | 92 | 68.6 Ų | 68.6 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 174.9 | -68.2 | 165.7 | 0 | 0 | 0 | 110.2 | S34 Q35 N41 K42 | S34-I38 WeakPolarHBondContact O-CG1 3.36Å; S34-I38 PolarHBondContact O-N 2.92Å; Q35-I38 PolarHBondContact O-N 3.44Å; I38-N41 PolarHBondContact O-N 3.42Å; I38-K42 WeakPolarHBondContact O-CG 3.41Å; I38-K42 PolarHBondContact O-N 2.99Å |
| 39 | A | 96.8 | Very high | 97.3 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q35 L36 K37 K42 F43 L110 | Q35-A39 PolarHBondContact O-N 2.83Å; L36-A39 PolarHBondContact O-N 3.17Å; K37-A39 VanDerWaalsContact C-N 3.32Å; K37-A39 PolarHBondContact O-N 3.32Å; A39-K42 PolarHBondContact O-N 2.87Å; A39-F43 VanDerWaalsContact O-CD2 3.25Å; A39-F43 WeakPolarHBondContact O-CD2 3.35Å; A39-F43 PolarHBondContact O-N 3.36Å; A39-L110 HydrophobicContact CB-CD1 3.93Å |
| 40 | Q | 98 | Very high | 97.1 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 176.9 | -176.3 | -171.9 | 54.2 | 0 | 0 | 111.3 | L36 K37 K42 F43 V44 I107 L110 T111 | L36-Q40 WeakPolarHBondContact O-CB 3.32Å; L36-Q40 PolarHBondContact O-N 3.22Å; K37-Q40 PolarHBondContact O-N 3.45Å; Q40-K42 VanDerWaalsContact C-N 3.32Å; Q40-K42 PolarHBondContact O-N 2.86Å; Q40-F43 PolarHBondContact O-N 3.38Å; Q40-F43 VanDerWaalsContact O-N 3.07Å; Q40-V44 WeakPolarHBondContact O-CG2 3.49Å; Q40-V44 PolarHBondContact O-N 3.28Å; Q40-I107 HydrophobicContact CG-CG2 4.12Å; Q40-L110 HydrophobicContact CB-CB 4.22Å; Q40-L110 HydrophobicContact CB-CD1 3.95Å; Q40-L110 HydrophobicContact CG-CB 4.5Å; Q40-T111 PolarHBondContact NE2-OG1 3.04Å |
| 41 | N | 98.2 | Very high | 96.8 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 179 | -74 | -8.8 | 0 | 0 | 0 | 111.8 | K37 I38 F43 V44 E45 | K37-N41 WeakPolarHBondContact O-CB 3.45Å; K37-N41 VanDerWaalsContact O-CG 3.3Å; K37-N41 PolarHBondContact O-N 2.95Å; I38-N41 PolarHBondContact O-N 3.42Å; N41-F43 VanDerWaalsContact C-N 3.27Å; N41-F43 PolarHBondContact O-N 3.41Å; N41-V44 WeakPolarHBondContact O-CB 3.44Å; N41-V44 PolarHBondContact O-N 2.95Å; N41-V44 VanDerWaalsContact O-N 3.07Å; N41-E45 WeakPolarHBondContact O-CG 3.44Å; N41-E45 PolarHBondContact O-N 3.16Å |
| 42 | K | 97.1 | Very high | 96.4 | Very high | 137 Ų | 137 | 67 Ų | 67 | 60% | 0.596 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.8 | -39.3 | 173.7 | -71 | 179.6 | 178.4 | -173.7 | 0 | 112.6 | I38 A39 Q40 A46 | I38-K42 WeakPolarHBondContact O-CG 3.41Å; I38-K42 PolarHBondContact O-N 2.99Å; A39-K42 PolarHBondContact O-N 2.87Å; Q40-K42 VanDerWaalsContact C-N 3.32Å; Q40-K42 PolarHBondContact O-N 2.86Å; K42-A46 VanDerWaalsContact O-CB 3.29Å; K42-A46 WeakPolarHBondContact O-CB 3.28Å; K42-A46 PolarHBondContact O-N 3.49Å |
| 43 | F | 97.4 | Very high | 96.1 | Very high | 58 Ų | 58 | 67.4 Ų | 67.4 | 25% | 0.254 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -72.4 | -32.8 | 175.5 | -68 | -54.2 | 0 | 0 | 0 | 113 | A39 Q40 N41 K47 F103 K106 I107 L110 | A39-F43 VanDerWaalsContact O-CD2 3.25Å; A39-F43 WeakPolarHBondContact O-CD2 3.35Å; A39-F43 PolarHBondContact O-N 3.36Å; Q40-F43 PolarHBondContact O-N 3.38Å; Q40-F43 VanDerWaalsContact O-N 3.07Å; N41-F43 VanDerWaalsContact C-N 3.27Å; N41-F43 PolarHBondContact O-N 3.41Å; F43-K47 VanDerWaalsContact O-CB 3.25Å; F43-K47 WeakPolarHBondContact O-CB 3.27Å; F43-K47 PolarHBondContact O-N 3.35Å; F43-F103 AromaticContact CD1-CD1 3.63Å; F43-F103 HydrophobicContact CD1-CD1 3.63Å; F43-F103 HydrophobicContact CD1-CE1 4.03Å; F43-F103 HydrophobicContact CE1-CD1 4.3Å; F43-F103 HydrophobicContact CE1-CE1 4.42Å; F43-K106 HydrophobicContact CD1-CB 4.3Å; F43-K106 HydrophobicContact CD2-CB 3.86Å; F43-K106 HydrophobicContact CE1-CB 4.36Å; F43-K106 HydrophobicContact CE1-CG 4.41Å; F43-K106 HydrophobicContact CE2-CB 3.93Å; F43-K106 HydrophobicContact CG-CB 4.06Å; F43-K106 HydrophobicContact CZ-CB 4.18Å; F43-K106 HydrophobicContact CZ-CG 4.3Å; F43-I107 HydrophobicContact CB-CD1 4.28Å; F43-I107 HydrophobicContact CB-CG1 3.7Å; F43-L110 HydrophobicContact CD2-CD1 3.76Å; F43-L110 HydrophobicContact CE2-CD1 3.86Å |
| 44 | V | 97.8 | Very high | 95.7 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -52.1 | 172.3 | 173.7 | 0 | 0 | 0 | 0 | 110 | Q40 N41 A46 K47 D48 I107 | Q40-V44 WeakPolarHBondContact O-CG2 3.49Å; Q40-V44 PolarHBondContact O-N 3.28Å; N41-V44 WeakPolarHBondContact O-CB 3.44Å; N41-V44 PolarHBondContact O-N 2.95Å; N41-V44 VanDerWaalsContact O-N 3.07Å; V44-A46 VanDerWaalsContact C-N 3.33Å; V44-A46 PolarHBondContact O-N 3.36Å; V44-K47 PolarHBondContact O-N 2.93Å; V44-D48 WeakPolarHBondContact CG1-OD2 3.32Å; V44-D48 WeakPolarHBondContact O-CB 3.48Å; V44-D48 VanDerWaalsContact O-CG 3.24Å; V44-D48 PolarHBondContact O-N 2.97Å; V44-I107 HydrophobicContact CB-CD1 4.46Å; V44-I107 HydrophobicContact CG2-CD1 3.73Å; V44-I107 HydrophobicContact CG2-CG1 4.02Å; V44-I107 HydrophobicContact CG2-CG2 4.48Å |
| 45 | E | 96.8 | Very high | 95.3 | Very high | 124 Ų | 124 | 71 Ų | 71 | 58% | 0.579 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -57.7 | -43.9 | 177.5 | -71.7 | 170 | -168.8 | 0 | 0 | 112 | N41 D48 S49 | N41-E45 WeakPolarHBondContact O-CG 3.44Å; N41-E45 PolarHBondContact O-N 3.16Å; E45-D48 PolarHBondContact O-N 3.27Å; E45-S49 WeakPolarHBondContact O-CB 3.49Å; E45-S49 PolarHBondContact O-N 2.96Å; E45-S49 PolarHBondContact O-OG 3.21Å |
| 46 | A | 95.9 | Very high | 95 | Very high | 32 Ų | 32 | 71.2 Ų | 71.2 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K42 V44 D48 S49 L50 F103 | K42-A46 VanDerWaalsContact O-CB 3.29Å; K42-A46 WeakPolarHBondContact O-CB 3.28Å; K42-A46 PolarHBondContact O-N 3.49Å; V44-A46 VanDerWaalsContact C-N 3.33Å; V44-A46 PolarHBondContact O-N 3.36Å; A46-D48 VanDerWaalsContact C-N 3.34Å; A46-D48 PolarHBondContact O-N 3.29Å; A46-S49 PolarHBondContact O-N 3.41Å; A46-L50 WeakPolarHBondContact O-CG 3.47Å; A46-L50 PolarHBondContact O-N 3.46Å; A46-F103 HydrophobicContact CB-CD2 4.36Å; A46-F103 HydrophobicContact CB-CE1 4.22Å; A46-F103 HydrophobicContact CB-CE2 4Å; A46-F103 HydrophobicContact CB-CZ 3.94Å |
| 47 | K | 96.5 | Very high | 94.7 | Very high | 63 Ų | 63 | 71 Ų | 71 | 27% | 0.274 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 177 | -171.5 | -155 | 69 | 171.2 | 0 | 111.6 | F43 V44 L50 K100 F103 I107 | F43-K47 VanDerWaalsContact O-CB 3.25Å; F43-K47 WeakPolarHBondContact O-CB 3.27Å; F43-K47 PolarHBondContact O-N 3.35Å; V44-K47 PolarHBondContact O-N 2.93Å; K47-L50 WeakPolarHBondContact O-CB 3.42Å; K47-L50 PolarHBondContact O-N 2.94Å; K47-K100 HydrophobicContact CG-CB 4.46Å; K47-K100 HydrophobicContact CG-CG 4.4Å; K47-F103 HydrophobicContact CB-CB 3.83Å; K47-F103 HydrophobicContact CB-CD2 4.17Å; K47-F103 HydrophobicContact CB-CG 4.36Å; K47-F103 HydrophobicContact CG-CB 4.2Å; K47-I107 HydrophobicContact CD-CD1 4.32Å |
| 48 | D | 95.7 | Very high | 94.5 | Very high | 75 Ų | 75 | 71.8 Ų | 71.8 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -72 | -34.4 | -179.1 | -66.9 | -11.7 | 0 | 0 | 0 | 111.1 | V44 E45 A46 L50 T51 | V44-D48 WeakPolarHBondContact CG1-OD2 3.32Å; V44-D48 WeakPolarHBondContact O-CB 3.48Å; V44-D48 VanDerWaalsContact O-CG 3.24Å; V44-D48 PolarHBondContact O-N 2.97Å; E45-D48 PolarHBondContact O-N 3.27Å; A46-D48 VanDerWaalsContact C-N 3.34Å; A46-D48 PolarHBondContact O-N 3.29Å; D48-L50 PolarHBondContact O-N 3.02Å; D48-T51 VanDerWaalsContact O-CB 3.31Å; D48-T51 WeakPolarHBondContact O-CB 3.35Å; D48-T51 WeakPolarHBondContact O-CG2 3.26Å; D48-T51 PolarHBondContact O-N 2.97Å; D48-T51 PolarHBondContact O-OG1 2.96Å |
| 49 | S | 93.3 | Very high | 94.3 | Very high | 75 Ų | 75 | 69.7 Ų | 69.7 | 52% | 0.524 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.3 | -31.2 | 172.9 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | E45 A46 T51 V52 | E45-S49 WeakPolarHBondContact O-CB 3.49Å; E45-S49 PolarHBondContact O-N 2.96Å; E45-S49 PolarHBondContact O-OG 3.21Å; A46-S49 PolarHBondContact O-N 3.41Å; S49-T51 PolarHBondContact O-N 3.06Å; S49-V52 WeakPolarHBondContact O-CB 3.01Å; S49-V52 PolarHBondContact O-N 3.44Å |
| 50 | L | 94.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 73.2 Ų | 73.2 | 6% | 0.063 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -64.1 | -18.4 | 175 | -62.5 | 176.8 | 0 | 0 | 0 | 113.2 | A46 K47 D48 V52 L53 V82 V96 K100 F103 | A46-L50 WeakPolarHBondContact O-CG 3.47Å; A46-L50 PolarHBondContact O-N 3.46Å; K47-L50 WeakPolarHBondContact O-CB 3.42Å; K47-L50 PolarHBondContact O-N 2.94Å; D48-L50 PolarHBondContact O-N 3.02Å; L50-V52 PolarHBondContact O-N 2.86Å; L50-L53 HydrophobicContact CD2-CD1 3.84Å; L50-L53 WeakPolarHBondContact O-CB 3.46Å; L50-L53 PolarHBondContact O-N 3.36Å; L50-V82 HydrophobicContact CD2-CB 4.41Å; L50-V82 HydrophobicContact CD2-CG1 3.76Å; L50-V82 HydrophobicContact CD2-CG2 4.04Å; L50-V96 HydrophobicContact CB-CG1 4.24Å; L50-K100 HydrophobicContact CB-CG 4.33Å; L50-K100 HydrophobicContact CD1-CG 3.77Å; L50-F103 HydrophobicContact CD1-CD2 3.92Å; L50-F103 HydrophobicContact CD1-CE2 3.89Å; L50-F103 HydrophobicContact CG-CE2 4.5Å |
| 51 | T | 90.9 | Very high | 94 | Very high | 86 Ų | 86 | 78.5 Ų | 78.5 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -69.8 | -23.4 | 177.8 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | D48 S49 L53 N54 | D48-T51 VanDerWaalsContact O-CB 3.31Å; D48-T51 WeakPolarHBondContact O-CB 3.35Å; D48-T51 WeakPolarHBondContact O-CG2 3.26Å; D48-T51 PolarHBondContact O-N 2.97Å; D48-T51 PolarHBondContact O-OG1 2.96Å; S49-T51 PolarHBondContact O-N 3.06Å; T51-L53 PolarHBondContact O-N 3.27Å; T51-N54 PolarHBondContact O-ND2 3.39Å |
| 52 | V | 88.4 | Confident | 93.7 | Very high | 83 Ų | 83 | 77.8 Ų | 77.8 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -70.8 | -23.1 | 174.7 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | S49 L50 N54 N57 | S49-V52 WeakPolarHBondContact O-CB 3.01Å; S49-V52 PolarHBondContact O-N 3.44Å; L50-V52 PolarHBondContact O-N 2.86Å; V52-N54 PolarHBondContact O-N 3.23Å; V52-N54 VanDerWaalsContact O-N 3.08Å; V52-N54 PolarHBondContact O-ND2 2.94Å; V52-N57 PolarHBondContact O-ND2 3.46Å |
| 53 | L | 91.6 | Very high | 93.6 | Very high | 35 Ų | 35 | 76.7 Ų | 76.7 | 18% | 0.183 | 42% | 0.421 | C | S | . | . | trans | -80.9 | 87.2 | 176.6 | -54.2 | -177.8 | 0 | 0 | 0 | 109.9 | L50 T51 L76 V79 V82 V96 | L50-L53 HydrophobicContact CD2-CD1 3.84Å; L50-L53 WeakPolarHBondContact O-CB 3.46Å; L50-L53 PolarHBondContact O-N 3.36Å; T51-L53 PolarHBondContact O-N 3.27Å; L53-L76 HydrophobicContact CD2-CD1 3.81Å; L53-L76 HydrophobicContact CD2-CD2 3.95Å; L53-L76 HydrophobicContact CD2-CG 4.46Å; L53-V79 HydrophobicContact CB-CB 4.39Å; L53-V82 HydrophobicContact CD1-CG1 3.31Å; L53-V96 HydrophobicContact CB-CG2 4.19Å; L53-V96 HydrophobicContact CD1-CG2 4.03Å | ||
| 54 | N | 90.1 | Very high | 93.3 | Very high | 55 Ų | 55 | 77.1 Ų | 77.1 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -143.8 | 164 | 175.9 | 63 | 70.4 | 0 | 0 | 0 | 110.4 | T51 V52 N56 N57 K58 | T51-N54 PolarHBondContact O-ND2 3.39Å; V52-N54 PolarHBondContact O-N 3.23Å; V52-N54 VanDerWaalsContact O-N 3.08Å; V52-N54 PolarHBondContact O-ND2 2.94Å; N54-N56 PolarHBondContact O-N 3.03Å; N54-N56 VanDerWaalsContact O-N 3.09Å; N54-N56 VanDerWaalsContact OD1-CB 3.32Å; N54-N56 WeakPolarHBondContact OD1-CB 3.33Å; N54-N56 PolarHBondContact OD1-N 2.97Å; N54-N56 VanDerWaalsContact OD1-N 3.15Å; N54-N57 PolarHBondContact ND2-ND2 3.23Å; N54-N57 PolarHBondContact O-N 3.45Å; N54-K58 PolarHBondContact O-N 3.09Å |
| 55 | S | 90.8 | Very high | 93.1 | Very high | 99 Ų | 99 | 78.9 Ų | 78.9 | 69% | 0.692 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -56.9 | -30.2 | -174.1 | -48.2 | 0 | 0 | 0 | 0 | 113.6 | N57 K58 | S55-N57 PolarHBondContact O-N 3.26Å; S55-K58 PolarHBondContact O-N 3.15Å |
| 56 | N | 91.5 | Very high | 92.9 | Very high | 131 Ų | 131 | 78.8 Ų | 78.8 | 70% | 0.701 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -69.4 | -17.1 | 178.8 | -61.1 | -29.7 | 0 | 0 | 0 | 112.9 | N54 K60 | N54-N56 PolarHBondContact O-N 3.03Å; N54-N56 VanDerWaalsContact O-N 3.09Å; N54-N56 VanDerWaalsContact OD1-CB 3.32Å; N54-N56 WeakPolarHBondContact OD1-CB 3.33Å; N54-N56 PolarHBondContact OD1-N 2.97Å; N54-N56 VanDerWaalsContact OD1-N 3.15Å; N56-K60 WeakPolarHBondContact O-CE 3.24Å; N56-K60 PolarHBondContact O-NZ 2.97Å |
| 57 | N | 91.4 | Very high | 92.9 | Very high | 35 Ų | 35 | 80.4 Ų | 80.4 | 19% | 0.187 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -105.3 | -5.6 | -179.3 | -68.9 | -21 | 0 | 0 | 0 | 113.3 | V52 N54 S55 G59 K60 L76 | V52-N57 PolarHBondContact O-ND2 3.46Å; N54-N57 PolarHBondContact ND2-ND2 3.23Å; N54-N57 PolarHBondContact O-N 3.45Å; S55-N57 PolarHBondContact O-N 3.26Å; N57-G59 PolarHBondContact O-N 3.34Å; N57-K60 HydrophobicContact CB-CD 4.47Å; N57-K60 WeakPolarHBondContact O-CB 2.98Å; N57-K60 PolarHBondContact O-N 3.17Å; N57-K60 VanDerWaalsContact O-N 3.11Å; N57-K60 PolarHBondContact OD1-NZ 3.23Å; N57-L76 HydrophobicContact CB-CD2 4.05Å |
| 58 | K | 93.9 | Very high | 92.6 | Very high | 119 Ų | 119 | 83.3 Ų | 83.3 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 132 | 174.5 | -168.5 | 173.2 | -175.4 | 167.8 | 0 | 110.2 | N54 S55 K60 N77 V79 | N54-K58 PolarHBondContact O-N 3.09Å; S55-K58 PolarHBondContact O-N 3.15Å; K58-K60 VanDerWaalsContact C-N 3.26Å; K58-K60 PolarHBondContact O-N 3.02Å; K58-N77 WeakPolarHBondContact CE-O 3.36Å; K58-V79 HydrophobicContact CB-CG1 4.01Å; K58-V79 HydrophobicContact CB-CG2 4.43Å; K58-V79 HydrophobicContact CD-CG2 4.4Å; K58-V79 HydrophobicContact CG-CG1 4.44Å |
| 59 | G | 94 | Very high | 92.6 | Very high | 48 Ų | 48 | 84.9 Ų | 84.9 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -0.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N57 T75 L76 | N57-G59 PolarHBondContact O-N 3.34Å; G59-T75 WeakPolarHBondContact O-CG2 3.38Å; G59-L76 PolarHBondContact N-O 3.27Å |
| 60 | K | 94.5 | Very high | 92.7 | Very high | 110 Ų | 110 | 86.3 Ų | 86.3 | 48% | 0.478 | 50% | 0.495 | S | S | . | . | trans | -78.6 | 152.4 | 174.9 | -67.1 | -170.9 | -176.9 | 157.9 | 0 | 111.6 | N56 N57 K58 L76 | N56-K60 WeakPolarHBondContact O-CE 3.24Å; N56-K60 PolarHBondContact O-NZ 2.97Å; N57-K60 HydrophobicContact CB-CD 4.47Å; N57-K60 WeakPolarHBondContact O-CB 2.98Å; N57-K60 PolarHBondContact O-N 3.17Å; N57-K60 VanDerWaalsContact O-N 3.11Å; N57-K60 PolarHBondContact OD1-NZ 3.23Å; K58-K60 VanDerWaalsContact C-N 3.26Å; K58-K60 PolarHBondContact O-N 3.02Å; K60-L76 PolarHBondContact O-N 3.32Å | ||
| 61 | E | 94.3 | Very high | 92.8 | Very high | 145 Ų | 145 | 92.8 Ų | 92.8 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 140.2 | 173.2 | -162.8 | 176.3 | 177 | 0 | 0 | 110.8 | P73 G74 | E61-P73 HydrophobicContact CG-CB 4.21Å; E61-P73 WeakPolarHBondContact OE1-CB 3.32Å; E61-G74 CarbonylContact C-O 3.58Å; E61-G74 VanDerWaalsContact CA-O 3.29Å; E61-G74 WeakPolarHBondContact CA-O 3.26Å |
| 62 | L | 92.3 | Very high | 93.1 | Very high | 67 Ų | 67 | 91.9 Ų | 91.9 | 35% | 0.351 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 150.7 | 175 | 71.7 | 114 | 0 | 0 | 0 | 110.3 | V64 G74 L76 | L62-V64 HydrophobicContact CD1-CG2 3.34Å; L62-V64 HydrophobicContact CG-CG2 4.3Å; L62-G74 PolarHBondContact N-O 3.13Å; L62-G74 PolarHBondContact O-N 3.36Å; L62-L76 HydrophobicContact CD2-CB 3.59Å; L62-L76 HydrophobicContact CD2-CD1 4.04Å; L62-L76 HydrophobicContact CD2-CG 4.31Å |
| 63 | L | 93.3 | Very high | 93.5 | Very high | 115 Ų | 115 | 91.5 Ų | 91.5 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.3 | 175.3 | -66.5 | -179.5 | 0 | 0 | 0 | 109.5 | Y71 P73 | L63-Y71 HydrophobicContact CB-CD1 4.12Å; L63-Y71 HydrophobicContact CB-CG 4.48Å; L63-P73 HydrophobicContact CD2-CB 4.29Å |
| 64 | V | 91.9 | Very high | 93.6 | Very high | 66 Ų | 66 | 91 Ų | 91 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.1 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | L62 L66 Y71 V72 | L62-V64 HydrophobicContact CD1-CG2 3.34Å; L62-V64 HydrophobicContact CG-CG2 4.3Å; V64-L66 PolarHBondContact O-N 3.04Å; V64-Y71 WeakPolarHBondContact O-CA 3.41Å; V64-V72 HydrophobicContact CB-CG1 4.26Å; V64-V72 PolarHBondContact N-O 3Å; V64-V72 PolarHBondContact O-N 3.07Å |
| 65 | P | 93.7 | Very high | 93.9 | Very high | 82 Ų | 82 | 92.4 Ų | 92.4 | 53% | 0.532 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 123.4 | 174.7 | 27 | -33.4 | 0 | 0 | 0 | 110.1 | Y71 | P65-Y71 HydrophobicContact CB-CD1 4.12Å; P65-Y71 HydrophobicContact CB-CE1 3.81Å; P65-Y71 HydrophobicContact CG-CE1 4.47Å |
| 66 | L | 93.1 | Very high | 94 | Very high | 121 Ų | 121 | 89 Ų | 89 | 63% | 0.634 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -39.9 | 172.1 | -176.1 | 64.2 | 0 | 0 | 0 | 110.6 | V64 M70 | V64-L66 PolarHBondContact O-N 3.04Å; L66-M70 PolarHBondContact N-O 3.48Å |
| 67 | T | 94.8 | Very high | 94 | Very high | 67 Ų | 67 | 88.4 Ų | 88.4 | 41% | 0.411 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | -179.9 | 174.3 | 71.7 | 0 | 0 | 0 | 0 | 109.8 | S69 M70 | T67-S69 PolarHBondContact O-N 2.96Å; T67-M70 HydrophobicContact CG2-CE 3.73Å; T67-M70 PolarHBondContact N-O 3.31Å; T67-M70 PolarHBondContact O-N 3.34Å; T67-M70 WeakPolarHBondContact OG1-CE 3.48Å; T67-M70 PolarHBondContact OG1-N 2.69Å |
| 68 | S | 91.2 | Very high | 94.1 | Very high | 123 Ų | 123 | 90 Ų | 90 | 86% | 0.86 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -25 | -178.9 | -36.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 69 | S | 94.4 | Very high | 94.2 | Very high | 109 Ų | 109 | 84.9 Ų | 84.9 | 76% | 0.762 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.6 | 12 | -175.1 | -51.8 | 0 | 0 | 0 | 0 | 113.7 | T67 | T67-S69 PolarHBondContact O-N 2.96Š|
| 70 | M | 96.9 | Very high | 94.3 | Very high | 105 Ų | 105 | 88.1 Ų | 88.1 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 135.8 | 179.9 | -64.2 | -168.7 | -64.2 | 0 | 0 | 111 | L66 T67 | L66-M70 PolarHBondContact N-O 3.48Å; T67-M70 HydrophobicContact CG2-CE 3.73Å; T67-M70 PolarHBondContact N-O 3.31Å; T67-M70 PolarHBondContact O-N 3.34Å; T67-M70 WeakPolarHBondContact OG1-CE 3.48Å; T67-M70 PolarHBondContact OG1-N 2.69Å |
| 71 | Y | 96.7 | Very high | 94.4 | Very high | 147 Ų | 147 | 86.4 Ų | 86.4 | 58% | 0.576 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.7 | 176.7 | -67.6 | -98.2 | 0 | 0 | 0 | 109.7 | L63 V64 P65 | L63-Y71 HydrophobicContact CB-CD1 4.12Å; L63-Y71 HydrophobicContact CB-CG 4.48Å; V64-Y71 WeakPolarHBondContact O-CA 3.41Å; P65-Y71 HydrophobicContact CB-CD1 4.12Å; P65-Y71 HydrophobicContact CB-CE1 3.81Å; P65-Y71 HydrophobicContact CG-CE1 4.47Å |
| 72 | V | 97 | Very high | 94.5 | Very high | 68 Ų | 68 | 80.9 Ų | 80.9 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136.4 | 174.4 | 68.6 | 0 | 0 | 0 | 0 | 109.3 | V64 | V64-V72 HydrophobicContact CB-CG1 4.26Å; V64-V72 PolarHBondContact N-O 3Å; V64-V72 PolarHBondContact O-N 3.07Å |
| 73 | P | 96.1 | Very high | 94.7 | Very high | 74 Ų | 74 | 83.6 Ų | 83.6 | 48% | 0.481 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 141.4 | 170.9 | 27.9 | -33.8 | 0 | 0 | 0 | 111.1 | E61 L63 | E61-P73 HydrophobicContact CG-CB 4.21Å; E61-P73 WeakPolarHBondContact OE1-CB 3.32Å; L63-P73 HydrophobicContact CD2-CB 4.29Å |
| 74 | G | 93.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 78.2 Ų | 78.2 | 27% | 0.268 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 162.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E61 L62 | E61-G74 CarbonylContact C-O 3.58Å; E61-G74 VanDerWaalsContact CA-O 3.29Å; E61-G74 WeakPolarHBondContact CA-O 3.26Å; L62-G74 PolarHBondContact N-O 3.13Å; L62-G74 PolarHBondContact O-N 3.36Å |
| 75 | T | 94.9 | Very high | 95 | Very high | 83 Ų | 83 | 79 Ų | 79 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.5 | -179.3 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | G59 N77 | G59-T75 WeakPolarHBondContact O-CG2 3.38Å; T75-N77 PolarHBondContact O-N 3.3Å; T75-N77 VanDerWaalsContact O-N 3.14Å |
| 76 | L | 93.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.147 | 44% | 0.437 | C | S | . | . | trans | -77.6 | 95.7 | 179.6 | -171.4 | 57.6 | 0 | 0 | 0 | 111.5 | L53 N57 G59 K60 L62 V79 | L53-L76 HydrophobicContact CD2-CD1 3.81Å; L53-L76 HydrophobicContact CD2-CD2 3.95Å; L53-L76 HydrophobicContact CD2-CG 4.46Å; N57-L76 HydrophobicContact CB-CD2 4.05Å; G59-L76 PolarHBondContact N-O 3.27Å; K60-L76 PolarHBondContact O-N 3.32Å; L62-L76 HydrophobicContact CD2-CB 3.59Å; L62-L76 HydrophobicContact CD2-CD1 4.04Å; L62-L76 HydrophobicContact CD2-CG 4.31Å; L76-V79 HydrophobicContact CD2-CG1 3.83Å; L76-V79 HydrophobicContact CG-CG1 3.9Å | ||
| 77 | N | 92.1 | Very high | 94.7 | Very high | 118 Ų | 118 | 73.6 Ų | 73.6 | 63% | 0.631 | 42% | 0.421 | S | S | * | . | trans | -90.1 | -38.3 | -174.1 | -68.2 | -23.8 | 0 | 0 | 0 | 114.2 | K58 T75 | K58-N77 WeakPolarHBondContact CE-O 3.36Å; T75-N77 PolarHBondContact O-N 3.3Å; T75-N77 VanDerWaalsContact O-N 3.14Å | ||
| 78 | D | 93.9 | Very high | 94.6 | Very high | 70 Ų | 70 | 77 Ų | 77 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | trans | -112.7 | 130.8 | 177.2 | -165.6 | -10.1 | 0 | 0 | 0 | 109.8 | E80 H81 | D78-E80 PolarHBondContact OD1-N 3.5Å; D78-H81 PolarHBondContact OD1-N 3.47Å; D78-H81 IonicContact OD1-ND1 3.04Å; D78-H81 WeakPolarHBondContact OD2-CB 3.47Å; D78-H81 IonicContact OD2-CG 2.72Å; D78-H81 IonicContact OD2-ND1 2.62Å; D78-H81 PolarHBondContact OD2-ND1 2.98Å | ||
| 79 | V | 95.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 74.2 Ų | 74.2 | 6% | 0.061 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -121.8 | 1.4 | 178.2 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | L53 K58 L76 V96 | L53-V79 HydrophobicContact CB-CB 4.39Å; K58-V79 HydrophobicContact CB-CG1 4.01Å; K58-V79 HydrophobicContact CB-CG2 4.43Å; K58-V79 HydrophobicContact CD-CG2 4.4Å; K58-V79 HydrophobicContact CG-CG1 4.44Å; L76-V79 HydrophobicContact CD2-CG1 3.83Å; L76-V79 HydrophobicContact CG-CG1 3.9Å; V79-V96 WeakPolarHBondContact O-CG2 3.3Å |
| 80 | E | 96 | Very high | 94.7 | Very high | 116 Ų | 116 | 76.5 Ų | 76.5 | 54% | 0.542 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -104.3 | -32.8 | -176 | -65.5 | 178.9 | -169.6 | 0 | 0 | 111.4 | D78 N95 V96 | D78-E80 PolarHBondContact OD1-N 3.5Å; E80-N95 CarbonylContact O-C 3.49Å; E80-N95 WeakPolarHBondContact O-CA 3.36Å; E80-V96 PolarHBondContact O-N 2.93Å |
| 81 | H | 96.8 | Very high | 94.7 | Very high | 74 Ų | 74 | 78.5 Ų | 78.5 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 148.5 | -176.9 | -50.5 | 87 | 0 | 0 | 0 | 113.2 | D78 E93 K94 | D78-H81 PolarHBondContact OD1-N 3.47Å; D78-H81 IonicContact OD1-ND1 3.04Å; D78-H81 WeakPolarHBondContact OD2-CB 3.47Å; D78-H81 IonicContact OD2-CG 2.72Å; D78-H81 IonicContact OD2-ND1 2.62Å; D78-H81 PolarHBondContact OD2-ND1 2.98Å; H81-E93 HydrophobicContact CB-CG 4Å; H81-K94 CarbonylContact C-O 3.43Å; H81-K94 WeakPolarHBondContact CA-O 3.26Å |
| 82 | V | 96.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 74.5 Ų | 74.5 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.2 | 175.3 | -65.7 | 0 | 0 | 0 | 0 | 110.6 | L50 L53 V84 E93 K94 V96 S99 | L50-V82 HydrophobicContact CD2-CB 4.41Å; L50-V82 HydrophobicContact CD2-CG1 3.76Å; L50-V82 HydrophobicContact CD2-CG2 4.04Å; L53-V82 HydrophobicContact CD1-CG1 3.31Å; V82-V84 HydrophobicContact CG2-CG2 4Å; V82-E93 WeakPolarHBondContact O-CA 3.4Å; V82-K94 PolarHBondContact N-O 3.04Å; V82-K94 PolarHBondContact O-N 3.41Å; V82-V96 HydrophobicContact CG1-CG2 4.42Å; V82-S99 WeakPolarHBondContact CG2-OG 3.48Å |
| 83 | L | 96.6 | Very high | 94.7 | Very high | 124 Ų | 124 | 77.4 Ų | 77.4 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.3 | 167.7 | -71.5 | 170.4 | 0 | 0 | 0 | 109.8 | E93 | L83-E93 HydrophobicContact CD2-CB 4.17Å |
| 84 | V | 96.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.018 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.5 | 178 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | V82 V86 Y91 V92 K94 S99 F102 F103 | V82-V84 HydrophobicContact CG2-CG2 4Å; V84-V86 PolarHBondContact O-N 2.79Å; V84-Y91 WeakPolarHBondContact O-CA 3.44Å; V84-V92 PolarHBondContact N-O 2.98Å; V84-V92 PolarHBondContact O-N 2.94Å; V84-K94 HydrophobicContact CB-CD 4.36Å; V84-K94 HydrophobicContact CG2-CB 4.18Å; V84-K94 HydrophobicContact CG2-CD 4.18Å; V84-K94 HydrophobicContact CG2-CG 4.39Å; V84-S99 WeakPolarHBondContact CG2-OG 3.41Å; V84-F102 HydrophobicContact CG1-CD1 3.65Å; V84-F102 HydrophobicContact CG1-CE1 3.53Å; V84-F102 HydrophobicContact CG1-CG 4.34Å; V84-F102 HydrophobicContact CG1-CZ 4.13Å; V84-F103 HydrophobicContact CG1-CE1 4.39Å; V84-F103 HydrophobicContact CG1-CZ 4.33Å |
| 85 | D | 94.7 | Very high | 94.9 | Very high | 82 Ų | 82 | 77.8 Ų | 77.8 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 120 | 168.5 | -175.2 | -5.3 | 0 | 0 | 0 | 109.8 | G87 Y91 | D85-G87 WeakPolarHBondContact OD1-CA 3.35Å; D85-G87 PolarHBondContact OD1-N 3.45Å; D85-Y91 HydrophobicContact CB-CD1 3.97Å; D85-Y91 HydrophobicContact CB-CE1 3.63Å |
| 86 | V | 92.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 74.4 Ų | 74.4 | 38% | 0.376 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -0.9 | 178 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | V84 Y90 V92 F102 | V84-V86 PolarHBondContact O-N 2.79Å; V86-Y90 WeakPolarHBondContact CG2-O 3.5Å; V86-Y90 PolarHBondContact N-O 3.39Å; V86-V92 HydrophobicContact CG1-CB 4.44Å; V86-V92 HydrophobicContact CG1-CG2 4.15Å; V86-V92 HydrophobicContact CG2-CG2 3.99Å; V86-F102 HydrophobicContact CG1-CE2 4.34Å; V86-F102 HydrophobicContact CG1-CZ 4.36Å |
| 87 | G | 88.9 | Confident | 95 | Very high | 28 Ų | 28 | 78.4 Ų | 78.4 | 29% | 0.289 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.4 | 170.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D85 G89 Y90 | D85-G87 WeakPolarHBondContact OD1-CA 3.35Å; D85-G87 PolarHBondContact OD1-N 3.45Å; G87-G89 PolarHBondContact O-N 3.38Å; G87-Y90 PolarHBondContact O-N 2.93Å |
| 88 | T | 92.2 | Very high | 95.3 | Very high | 138 Ų | 138 | 77.2 Ų | 77.2 | 85% | 0.847 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 21.7 | 177.8 | 57 | 0 | 0 | 0 | 0 | 115 | Y90 | T88-Y90 WeakPolarHBondContact O-CD2 3.35Å; T88-Y90 WeakPolarHBondContact OG1-CD2 3.37Å |
| 89 | G | 92.6 | Very high | 95.4 | Very high | 64 Ų | 64 | 73.9 Ų | 73.9 | 66% | 0.66 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | 10.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G87 | G87-G89 PolarHBondContact O-N 3.38Š|
| 90 | Y | 95.3 | Very high | 95.5 | Very high | 158 Ų | 158 | 76.1 Ų | 76.1 | 62% | 0.62 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.9 | 178.9 | -69.3 | -92.7 | 0 | 0 | 0 | 112.1 | V86 G87 T88 | V86-Y90 WeakPolarHBondContact CG2-O 3.5Å; V86-Y90 PolarHBondContact N-O 3.39Å; G87-Y90 PolarHBondContact O-N 2.93Å; T88-Y90 WeakPolarHBondContact O-CD2 3.35Å; T88-Y90 WeakPolarHBondContact OG1-CD2 3.37Å |
| 91 | Y | 96.4 | Very high | 95.5 | Very high | 147 Ų | 147 | 74.5 Ų | 74.5 | 58% | 0.576 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 138.9 | 174 | -65.4 | -97.8 | 0 | 0 | 0 | 109.3 | V84 D85 | V84-Y91 WeakPolarHBondContact O-CA 3.44Å; D85-Y91 HydrophobicContact CB-CD1 3.97Å; D85-Y91 HydrophobicContact CB-CE1 3.63Å |
| 92 | V | 96.2 | Very high | 95.5 | Very high | 62 Ų | 62 | 72.6 Ų | 72.6 | 38% | 0.376 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.4 | 178.6 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | V84 V86 K94 | V84-V92 PolarHBondContact N-O 2.98Å; V84-V92 PolarHBondContact O-N 2.94Å; V86-V92 HydrophobicContact CG1-CB 4.44Å; V86-V92 HydrophobicContact CG1-CG2 4.15Å; V86-V92 HydrophobicContact CG2-CG2 3.99Å; V92-K94 HydrophobicContact CG1-CG 4.34Å |
| 93 | E | 97.5 | Very high | 95.6 | Very high | 130 Ų | 130 | 72.4 Ų | 72.4 | 61% | 0.607 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 130.2 | 171.1 | -169.4 | 174 | 108.2 | 0 | 0 | 109.9 | H81 V82 L83 | H81-E93 HydrophobicContact CB-CG 4Å; V82-E93 WeakPolarHBondContact O-CA 3.4Å; L83-E93 HydrophobicContact CD2-CB 4.17Å |
| 94 | K | 97.1 | Very high | 95.6 | Very high | 51 Ų | 51 | 71.1 Ų | 71.1 | 22% | 0.222 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 149.5 | -179.2 | -69.9 | -167.6 | 156 | -63.4 | 0 | 109.6 | H81 V82 V84 V92 E98 S99 | H81-K94 CarbonylContact C-O 3.43Å; H81-K94 WeakPolarHBondContact CA-O 3.26Å; V82-K94 PolarHBondContact N-O 3.04Å; V82-K94 PolarHBondContact O-N 3.41Å; V84-K94 HydrophobicContact CB-CD 4.36Å; V84-K94 HydrophobicContact CG2-CB 4.18Å; V84-K94 HydrophobicContact CG2-CD 4.18Å; V84-K94 HydrophobicContact CG2-CG 4.39Å; V92-K94 HydrophobicContact CG1-CG 4.34Å; K94-E98 HydrophobicContact CB-CB 4.4Å; K94-E98 IonicContact NZ-OE2 2.62Å; K94-E98 PolarHBondContact NZ-OE2 3.4Å; K94-S99 VanDerWaalsContact CB-OG 3.3Å; K94-S99 WeakPolarHBondContact CB-OG 3.33Å |
| 95 | N | 97.2 | Very high | 95.7 | Very high | 57 Ų | 57 | 79.5 Ų | 79.5 | 31% | 0.305 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 160.8 | 167.2 | 66.4 | 59.5 | 0 | 0 | 0 | 111.1 | E80 E97 E98 S99 | E80-N95 CarbonylContact O-C 3.49Å; E80-N95 WeakPolarHBondContact O-CA 3.36Å; N95-E97 VanDerWaalsContact C-N 3.33Å; N95-E97 PolarHBondContact O-N 3.5Å; N95-E97 PolarHBondContact OD1-N 2.93Å; N95-E98 VanDerWaalsContact ND2-CD 3.32Å; N95-E98 PolarHBondContact ND2-OE1 2.97Å; N95-E98 PolarHBondContact O-N 2.88Å; N95-E98 WeakPolarHBondContact OD1-CB 3.36Å; N95-E98 WeakPolarHBondContact OD1-CG 3.33Å; N95-E98 PolarHBondContact OD1-N 2.73Å; N95-S99 WeakPolarHBondContact O-CB 3.49Å; N95-S99 PolarHBondContact O-N 3.02Å; N95-S99 PolarHBondContact O-OG 3.17Å |
| 96 | V | 96.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 79.5 Ų | 79.5 | 7% | 0.067 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.1 | -40.3 | -176.4 | 165.1 | 0 | 0 | 0 | 0 | 112.6 | L50 L53 V79 E80 V82 S99 K100 | L50-V96 HydrophobicContact CB-CG1 4.24Å; L53-V96 HydrophobicContact CB-CG2 4.19Å; L53-V96 HydrophobicContact CD1-CG2 4.03Å; V79-V96 WeakPolarHBondContact O-CG2 3.3Å; E80-V96 PolarHBondContact O-N 2.93Å; V82-V96 HydrophobicContact CG1-CG2 4.42Å; V96-S99 WeakPolarHBondContact O-CB 3.36Å; V96-S99 PolarHBondContact O-N 3.14Å; V96-K100 HydrophobicContact CG1-CD 4.3Å; V96-K100 WeakPolarHBondContact O-CG 3.45Å; V96-K100 PolarHBondContact O-N 3Å |
| 97 | E | 95.5 | Very high | 96.1 | Very high | 113 Ų | 113 | 77.3 Ų | 77.3 | 53% | 0.528 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.1 | -40.1 | -177.8 | -66.4 | -52.9 | 125.9 | 0 | 0 | 112.8 | N95 S99 K100 T101 | N95-E97 VanDerWaalsContact C-N 3.33Å; N95-E97 PolarHBondContact O-N 3.5Å; N95-E97 PolarHBondContact OD1-N 2.93Å; E97-S99 VanDerWaalsContact C-N 3.28Å; E97-S99 PolarHBondContact O-N 3.38Å; E97-K100 PolarHBondContact O-N 2.62Å; E97-K100 IonicContact OE1-NZ 2.7Å; E97-K100 PolarHBondContact OE1-NZ 3.45Å; E97-T101 PolarHBondContact O-N 3.12Å; E97-T101 PolarHBondContact O-OG1 3.45Å |
| 98 | E | 96.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 78.8 Ų | 78.8 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 170.4 | -78.9 | -177.9 | -155.7 | 0 | 0 | 111.7 | K94 N95 T101 F102 | K94-E98 HydrophobicContact CB-CB 4.4Å; K94-E98 IonicContact NZ-OE2 2.62Å; K94-E98 PolarHBondContact NZ-OE2 3.4Å; N95-E98 VanDerWaalsContact ND2-CD 3.32Å; N95-E98 PolarHBondContact ND2-OE1 2.97Å; N95-E98 PolarHBondContact O-N 2.88Å; N95-E98 WeakPolarHBondContact OD1-CB 3.36Å; N95-E98 WeakPolarHBondContact OD1-CG 3.33Å; N95-E98 PolarHBondContact OD1-N 2.73Å; E98-T101 WeakPolarHBondContact O-CB 3.41Å; E98-T101 PolarHBondContact O-N 3.45Å; E98-F102 WeakPolarHBondContact O-CB 3.37Å; E98-F102 PolarHBondContact O-N 3.07Å |
| 99 | S | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | V82 V84 K94 N95 V96 E97 T101 F102 F103 | V82-S99 WeakPolarHBondContact CG2-OG 3.48Å; V84-S99 WeakPolarHBondContact CG2-OG 3.41Å; K94-S99 VanDerWaalsContact CB-OG 3.3Å; K94-S99 WeakPolarHBondContact CB-OG 3.33Å; N95-S99 WeakPolarHBondContact O-CB 3.49Å; N95-S99 PolarHBondContact O-N 3.02Å; N95-S99 PolarHBondContact O-OG 3.17Å; V96-S99 WeakPolarHBondContact O-CB 3.36Å; V96-S99 PolarHBondContact O-N 3.14Å; E97-S99 VanDerWaalsContact C-N 3.28Å; E97-S99 PolarHBondContact O-N 3.38Å; S99-T101 VanDerWaalsContact C-N 3.3Å; S99-T101 PolarHBondContact O-N 3.34Å; S99-F102 WeakPolarHBondContact O-CB 3.49Å; S99-F102 PolarHBondContact O-N 3.47Å; S99-F103 WeakPolarHBondContact O-CD2 3.36Å; S99-F103 WeakPolarHBondContact O-CG 3.41Å; S99-F103 PolarHBondContact O-N 2.93Å |
| 100 | K | 96.9 | Very high | 97.1 | Very high | 56 Ų | 56 | 75.5 Ų | 75.5 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58 | -44.4 | 171.3 | -72.7 | 171.8 | -174.6 | 165.6 | 0 | 111.4 | K47 L50 V96 E97 F103 K104 | K47-K100 HydrophobicContact CG-CB 4.46Å; K47-K100 HydrophobicContact CG-CG 4.4Å; L50-K100 HydrophobicContact CB-CG 4.33Å; L50-K100 HydrophobicContact CD1-CG 3.77Å; V96-K100 HydrophobicContact CG1-CD 4.3Å; V96-K100 WeakPolarHBondContact O-CG 3.45Å; V96-K100 PolarHBondContact O-N 3Å; E97-K100 PolarHBondContact O-N 2.62Å; E97-K100 IonicContact OE1-NZ 2.7Å; E97-K100 PolarHBondContact OE1-NZ 3.45Å; K100-F103 PolarHBondContact O-N 3.18Å; K100-K104 WeakPolarHBondContact O-CB 3.25Å; K100-K104 PolarHBondContact O-N 3.04Å |
| 101 | T | 97.3 | Very high | 97.3 | Very high | 83 Ų | 83 | 70 Ų | 70 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.7 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | E97 E98 S99 K104 R105 | E97-T101 PolarHBondContact O-N 3.12Å; E97-T101 PolarHBondContact O-OG1 3.45Å; E98-T101 WeakPolarHBondContact O-CB 3.41Å; E98-T101 PolarHBondContact O-N 3.45Å; S99-T101 VanDerWaalsContact C-N 3.3Å; S99-T101 PolarHBondContact O-N 3.34Å; T101-K104 PolarHBondContact O-N 3.39Å; T101-R105 WeakPolarHBondContact O-CG 3.25Å; T101-R105 PolarHBondContact O-N 3.47Å |
| 102 | F | 96.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 69.1 Ų | 69.1 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.9 | -51 | 175.6 | 175.4 | -93.1 | 0 | 0 | 0 | 111.5 | V84 V86 E98 S99 K104 R105 K106 | V84-F102 HydrophobicContact CG1-CD1 3.65Å; V84-F102 HydrophobicContact CG1-CE1 3.53Å; V84-F102 HydrophobicContact CG1-CG 4.34Å; V84-F102 HydrophobicContact CG1-CZ 4.13Å; V86-F102 HydrophobicContact CG1-CE2 4.34Å; V86-F102 HydrophobicContact CG1-CZ 4.36Å; E98-F102 WeakPolarHBondContact O-CB 3.37Å; E98-F102 PolarHBondContact O-N 3.07Å; S99-F102 WeakPolarHBondContact O-CB 3.49Å; S99-F102 PolarHBondContact O-N 3.47Å; F102-K104 PolarHBondContact O-N 3.39Å; F102-R105 WeakPolarHBondContact O-CB 3.47Å; F102-R105 PolarHBondContact O-N 3.44Å; F102-K106 HydrophobicContact CD1-CG 4.44Å; F102-K106 HydrophobicContact CE1-CG 4.09Å; F102-K106 HydrophobicContact CZ-CG 4.26Å; F102-K106 WeakPolarHBondContact O-CG 3.46Å; F102-K106 PolarHBondContact O-N 3Å |
| 103 | F | 97.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 68.9 Ų | 68.9 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 178.5 | -65.8 | -46.9 | 0 | 0 | 0 | 112.1 | F43 A46 K47 L50 V84 S99 K100 R105 K106 I107 | F43-F103 AromaticContact CD1-CD1 3.63Å; F43-F103 HydrophobicContact CD1-CD1 3.63Å; F43-F103 HydrophobicContact CD1-CE1 4.03Å; F43-F103 HydrophobicContact CE1-CD1 4.3Å; F43-F103 HydrophobicContact CE1-CE1 4.42Å; A46-F103 HydrophobicContact CB-CD2 4.36Å; A46-F103 HydrophobicContact CB-CE1 4.22Å; A46-F103 HydrophobicContact CB-CE2 4Å; A46-F103 HydrophobicContact CB-CZ 3.94Å; K47-F103 HydrophobicContact CB-CB 3.83Å; K47-F103 HydrophobicContact CB-CD2 4.17Å; K47-F103 HydrophobicContact CB-CG 4.36Å; K47-F103 HydrophobicContact CG-CB 4.2Å; L50-F103 HydrophobicContact CD1-CD2 3.92Å; L50-F103 HydrophobicContact CD1-CE2 3.89Å; L50-F103 HydrophobicContact CG-CE2 4.5Å; V84-F103 HydrophobicContact CG1-CE1 4.39Å; V84-F103 HydrophobicContact CG1-CZ 4.33Å; S99-F103 WeakPolarHBondContact O-CD2 3.36Å; S99-F103 WeakPolarHBondContact O-CG 3.41Å; S99-F103 PolarHBondContact O-N 2.93Å; K100-F103 PolarHBondContact O-N 3.18Å; F103-R105 VanDerWaalsContact C-N 3.32Å; F103-R105 PolarHBondContact O-N 2.87Å; F103-K106 PolarHBondContact O-N 3.38Å; F103-K106 VanDerWaalsContact O-N 3.12Å; F103-I107 WeakPolarHBondContact O-CD1 3.37Å; F103-I107 VanDerWaalsContact O-CG1 3.25Å; F103-I107 WeakPolarHBondContact O-CG1 3.48Å; F103-I107 PolarHBondContact O-N 2.62Å |
| 104 | K | 98 | Very high | 97.4 | Very high | 96 Ų | 96 | 63.2 Ų | 63.2 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 173.8 | -177.7 | 59.8 | 168.1 | 77 | 0 | 111.9 | K100 T101 F102 K106 I107 D108 | K100-K104 WeakPolarHBondContact O-CB 3.25Å; K100-K104 PolarHBondContact O-N 3.04Å; T101-K104 PolarHBondContact O-N 3.39Å; F102-K104 PolarHBondContact O-N 3.39Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 3.36Å; K104-I107 PolarHBondContact O-N 2.91Å; K104-D108 IonicContact NZ-OD1 3.7Å; K104-D108 PolarHBondContact NZ-OD1 2.94Å; K104-D108 IonicContact NZ-OD2 3.7Å; K104-D108 PolarHBondContact NZ-OD2 2.79Å; K104-D108 WeakPolarHBondContact O-CB 3.46Å; K104-D108 VanDerWaalsContact O-CG 3.22Å; K104-D108 PolarHBondContact O-N 3.33Å |
| 105 | R | 97.9 | Very high | 97.5 | Very high | 180 Ų | 180 | 66.2 Ų | 66.2 | 68% | 0.679 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.6 | -39.8 | 175.7 | -74.3 | 173.3 | 59.5 | -171.5 | -1.9 | 112.4 | T101 F102 F103 F109 | T101-R105 WeakPolarHBondContact O-CG 3.25Å; T101-R105 PolarHBondContact O-N 3.47Å; F102-R105 WeakPolarHBondContact O-CB 3.47Å; F102-R105 PolarHBondContact O-N 3.44Å; F103-R105 VanDerWaalsContact C-N 3.32Å; F103-R105 PolarHBondContact O-N 2.87Å; R105-F109 WeakPolarHBondContact O-CB 3.41Å; R105-F109 PolarHBondContact O-N 3.35Å |
| 106 | K | 97.5 | Very high | 97.4 | Very high | 81 Ų | 81 | 70.5 Ų | 70.5 | 35% | 0.352 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 176.7 | -68.3 | -69.5 | -174.9 | 172.8 | 0 | 111.9 | F43 F102 F103 K104 F109 L110 | F43-K106 HydrophobicContact CD1-CB 4.3Å; F43-K106 HydrophobicContact CD2-CB 3.86Å; F43-K106 HydrophobicContact CE1-CB 4.36Å; F43-K106 HydrophobicContact CE1-CG 4.41Å; F43-K106 HydrophobicContact CE2-CB 3.93Å; F43-K106 HydrophobicContact CG-CB 4.06Å; F43-K106 HydrophobicContact CZ-CB 4.18Å; F43-K106 HydrophobicContact CZ-CG 4.3Å; F102-K106 HydrophobicContact CD1-CG 4.44Å; F102-K106 HydrophobicContact CE1-CG 4.09Å; F102-K106 HydrophobicContact CZ-CG 4.26Å; F102-K106 WeakPolarHBondContact O-CG 3.46Å; F102-K106 PolarHBondContact O-N 3Å; F103-K106 PolarHBondContact O-N 3.38Å; F103-K106 VanDerWaalsContact O-N 3.12Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 3.36Å; K106-F109 PolarHBondContact O-N 2.7Å; K106-L110 WeakPolarHBondContact O-CG 3.36Å; K106-L110 PolarHBondContact O-N 2.95Å |
| 107 | I | 98.3 | Very high | 97.4 | Very high | 16 Ų | 16 | 71.8 Ų | 71.8 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.2 | -52.1 | 173.6 | -67.7 | 159.8 | 0 | 0 | 0 | 109.7 | Q40 F43 V44 K47 F103 K104 F109 L110 T111 | Q40-I107 HydrophobicContact CG-CG2 4.12Å; F43-I107 HydrophobicContact CB-CD1 4.28Å; F43-I107 HydrophobicContact CB-CG1 3.7Å; V44-I107 HydrophobicContact CB-CD1 4.46Å; V44-I107 HydrophobicContact CG2-CD1 3.73Å; V44-I107 HydrophobicContact CG2-CG1 4.02Å; V44-I107 HydrophobicContact CG2-CG2 4.48Å; K47-I107 HydrophobicContact CD-CD1 4.32Å; F103-I107 WeakPolarHBondContact O-CD1 3.37Å; F103-I107 VanDerWaalsContact O-CG1 3.25Å; F103-I107 WeakPolarHBondContact O-CG1 3.48Å; F103-I107 PolarHBondContact O-N 2.62Å; K104-I107 PolarHBondContact O-N 2.91Å; I107-F109 VanDerWaalsContact C-N 3.3Å; I107-F109 PolarHBondContact O-N 2.84Å; I107-L110 PolarHBondContact O-N 2.99Å; I107-L110 VanDerWaalsContact O-N 3.14Å; I107-T111 PolarHBondContact O-N 3.34Å; I107-T111 PolarHBondContact O-OG1 3Å |
| 108 | D | 98.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 32% | 0.321 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | -179.1 | -68.5 | -18.4 | 0 | 0 | 0 | 112.6 | K104 T111 K112 | K104-D108 IonicContact NZ-OD1 3.7Å; K104-D108 PolarHBondContact NZ-OD1 2.94Å; K104-D108 IonicContact NZ-OD2 3.7Å; K104-D108 PolarHBondContact NZ-OD2 2.79Å; K104-D108 WeakPolarHBondContact O-CB 3.46Å; K104-D108 VanDerWaalsContact O-CG 3.22Å; K104-D108 PolarHBondContact O-N 3.33Å; D108-T111 PolarHBondContact O-N 2.85Å; D108-K112 WeakPolarHBondContact O-CG 3.42Å; D108-K112 PolarHBondContact O-N 3.29Å |
| 109 | F | 98 | Very high | 97.5 | Very high | 117 Ų | 117 | 69.6 Ų | 69.6 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 174 | 175.6 | -95.6 | 0 | 0 | 0 | 111 | R105 K106 I107 K112 Q113 | R105-F109 WeakPolarHBondContact O-CB 3.41Å; R105-F109 PolarHBondContact O-N 3.35Å; K106-F109 PolarHBondContact O-N 2.7Å; I107-F109 VanDerWaalsContact C-N 3.3Å; I107-F109 PolarHBondContact O-N 2.84Å; F109-K112 PolarHBondContact O-N 3.21Å; F109-Q113 HydrophobicContact CD1-CG 4.35Å; F109-Q113 HydrophobicContact CE1-CG 3.93Å; F109-Q113 HydrophobicContact CZ-CG 4.05Å; F109-Q113 WeakPolarHBondContact O-CG 3.5Å; F109-Q113 PolarHBondContact O-N 2.93Å; F109-Q113 VanDerWaalsContact O-N 3.07Å |
| 110 | L | 98.1 | Very high | 97.4 | Very high | 16 Ų | 16 | 71.3 Ų | 71.3 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66 | -39.6 | 179.1 | -69.3 | 176.1 | 0 | 0 | 0 | 112.3 | L36 A39 Q40 F43 K106 I107 K112 Q113 I114 | L36-L110 HydrophobicContact CD2-CD2 3.77Å; A39-L110 HydrophobicContact CB-CD1 3.93Å; Q40-L110 HydrophobicContact CB-CB 4.22Å; Q40-L110 HydrophobicContact CB-CD1 3.95Å; Q40-L110 HydrophobicContact CG-CB 4.5Å; F43-L110 HydrophobicContact CD2-CD1 3.76Å; F43-L110 HydrophobicContact CE2-CD1 3.86Å; K106-L110 WeakPolarHBondContact O-CG 3.36Å; K106-L110 PolarHBondContact O-N 2.95Å; I107-L110 PolarHBondContact O-N 2.99Å; I107-L110 VanDerWaalsContact O-N 3.14Å; L110-K112 VanDerWaalsContact C-N 3.31Å; L110-K112 PolarHBondContact O-N 2.82Å; L110-Q113 PolarHBondContact O-N 3.44Å; L110-Q113 VanDerWaalsContact O-N 3.13Å; L110-I114 WeakPolarHBondContact O-CG1 3.47Å; L110-I114 PolarHBondContact O-N 3.07Å |
| 111 | T | 98.3 | Very high | 97.4 | Very high | 42 Ų | 42 | 69.8 Ų | 69.8 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -53.9 | -50.2 | 173.1 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | Q40 I107 D108 Q113 I114 E115 | Q40-T111 PolarHBondContact NE2-OG1 3.04Å; I107-T111 PolarHBondContact O-N 3.34Å; I107-T111 PolarHBondContact O-OG1 3Å; D108-T111 PolarHBondContact O-N 2.85Å; T111-Q113 VanDerWaalsContact C-N 3.31Å; T111-Q113 PolarHBondContact O-N 3.25Å; T111-I114 PolarHBondContact O-N 3.31Å; T111-E115 HydrophobicContact CG2-CG 4.43Å; T111-E115 WeakPolarHBondContact O-CG 3.44Å; T111-E115 PolarHBondContact O-N 3.46Å |
| 112 | K | 98.3 | Very high | 97.4 | Very high | 129 Ų | 129 | 71.8 Ų | 71.8 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.4 | -34.2 | 178.7 | -73.1 | 177.1 | -179.3 | -178 | 0 | 113.1 | D108 F109 L110 K116 | D108-K112 WeakPolarHBondContact O-CG 3.42Å; D108-K112 PolarHBondContact O-N 3.29Å; F109-K112 PolarHBondContact O-N 3.21Å; L110-K112 VanDerWaalsContact C-N 3.31Å; L110-K112 PolarHBondContact O-N 2.82Å; K112-K116 VanDerWaalsContact O-CG 3.28Å; K112-K116 WeakPolarHBondContact O-CG 3.44Å; K112-K116 PolarHBondContact O-N 2.98Å |
| 113 | Q | 97.6 | Very high | 97.4 | Very high | 57 Ų | 57 | 75.9 Ų | 75.9 | 27% | 0.266 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 174.8 | -63.1 | -53.5 | -33.1 | 0 | 0 | 111.2 | L36 F109 L110 T111 K116 I117 | L36-Q113 HydrophobicContact CD1-CB 4.23Å; F109-Q113 HydrophobicContact CD1-CG 4.35Å; F109-Q113 HydrophobicContact CE1-CG 3.93Å; F109-Q113 HydrophobicContact CZ-CG 4.05Å; F109-Q113 WeakPolarHBondContact O-CG 3.5Å; F109-Q113 PolarHBondContact O-N 2.93Å; F109-Q113 VanDerWaalsContact O-N 3.07Å; L110-Q113 PolarHBondContact O-N 3.44Å; L110-Q113 VanDerWaalsContact O-N 3.13Å; T111-Q113 VanDerWaalsContact C-N 3.31Å; T111-Q113 PolarHBondContact O-N 3.25Å; Q113-K116 PolarHBondContact O-N 3.48Å; Q113-I117 WeakPolarHBondContact O-CG1 3.38Å; Q113-I117 PolarHBondContact O-N 3.24Å |
| 114 | I | 97.7 | Very high | 97.3 | Very high | 10 Ų | 10 | 77.1 Ų | 77.1 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 175.4 | -66.9 | 163.4 | 0 | 0 | 0 | 110.4 | I33 L36 K37 L110 T111 K116 I117 Q118 | I33-I114 HydrophobicContact CG2-CG2 4.08Å; L36-I114 HydrophobicContact CB-CD1 3.95Å; L36-I114 HydrophobicContact CB-CG1 3.67Å; L36-I114 HydrophobicContact CD1-CG1 3.97Å; L36-I114 HydrophobicContact CG-CG1 4.48Å; K37-I114 HydrophobicContact CG-CD1 3.8Å; L110-I114 WeakPolarHBondContact O-CG1 3.47Å; L110-I114 PolarHBondContact O-N 3.07Å; T111-I114 PolarHBondContact O-N 3.31Å; I114-K116 PolarHBondContact O-N 3.43Å; I114-I117 PolarHBondContact O-N 3.03Å; I114-Q118 WeakPolarHBondContact O-CB 3.14Å; I114-Q118 PolarHBondContact O-N 3.41Å |
| 115 | E | 97.5 | Very high | 97.3 | Very high | 115 Ų | 115 | 76.6 Ų | 76.6 | 54% | 0.537 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.1 | -30.4 | 178.2 | -74.6 | 172.5 | 173.6 | 0 | 0 | 113.1 | T111 P119 | T111-E115 HydrophobicContact CG2-CG 4.43Å; T111-E115 WeakPolarHBondContact O-CG 3.44Å; T111-E115 PolarHBondContact O-N 3.46Å; E115-P119 WeakPolarHBondContact O-CD 3.35Å |
| 116 | K | 96.1 | Very high | 97.2 | Very high | 146 Ų | 146 | 71 Ų | 71 | 64% | 0.635 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -73.6 | -32.3 | 175.1 | -75.4 | 173.1 | -179.1 | -174.6 | 0 | 113.3 | K112 Q113 I114 | K112-K116 VanDerWaalsContact O-CG 3.28Å; K112-K116 WeakPolarHBondContact O-CG 3.44Å; K112-K116 PolarHBondContact O-N 2.98Å; Q113-K116 PolarHBondContact O-N 3.48Å; I114-K116 PolarHBondContact O-N 3.43Å |
| 117 | I | 96.2 | Very high | 97.1 | Very high | 38 Ų | 38 | 70.9 Ų | 70.9 | 20% | 0.195 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -85 | -31.9 | -176.2 | -61.7 | 166.4 | 0 | 0 | 0 | 110.8 | L29 I33 L36 Q113 I114 A120 L121 | L29-I117 HydrophobicContact CB-CG2 4.31Å; L29-I117 HydrophobicContact CD2-CG2 3.85Å; I33-I117 HydrophobicContact CD1-CB 4.37Å; I33-I117 HydrophobicContact CD1-CG2 3.95Å; I33-I117 HydrophobicContact CG1-CB 4.18Å; I33-I117 HydrophobicContact CG1-CG2 3.82Å; L36-I117 HydrophobicContact CD1-CD1 3.64Å; Q113-I117 WeakPolarHBondContact O-CG1 3.38Å; Q113-I117 PolarHBondContact O-N 3.24Å; I114-I117 PolarHBondContact O-N 3.03Å; I117-A120 WeakPolarHBondContact O-CB 3.4Å; I117-A120 PolarHBondContact O-N 3.41Å; I117-A120 VanDerWaalsContact O-N 3.15Å; I117-L121 PolarHBondContact O-N 3.43Å |
| 118 | Q | 95.7 | Very high | 96.9 | Very high | 88 Ų | 88 | 72.4 Ų | 72.4 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | -173 | -168.6 | 163.3 | -10.5 | 0 | 0 | 114.5 | I33 I114 L121 Q122 | I33-Q118 HydrophobicContact CD1-CB 4.43Å; I114-Q118 WeakPolarHBondContact O-CB 3.14Å; I114-Q118 PolarHBondContact O-N 3.41Å; Q118-L121 PolarHBondContact O-N 2.89Å; Q118-Q122 WeakPolarHBondContact O-CG 3.3Å; Q118-Q122 PolarHBondContact O-N 2.98Å |
| 119 | P | 97.4 | Very high | 96.8 | Very high | 73 Ų | 73 | 74 Ų | 74 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 173.5 | -24 | 34.3 | 0 | 0 | 0 | 112.7 | E115 L121 Q122 E123 | E115-P119 WeakPolarHBondContact O-CD 3.35Å; P119-L121 VanDerWaalsContact C-N 3.32Å; P119-L121 PolarHBondContact O-N 3.07Å; P119-Q122 PolarHBondContact O-N 3.07Å; P119-E123 WeakPolarHBondContact O-CB 3.1Å; P119-E123 PolarHBondContact O-N 3.23Å |
| 120 | A | 95.7 | Very high | 96.7 | Very high | 35 Ų | 35 | 70.1 Ų | 70.1 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | L29 I117 Q122 E123 K124 | L29-A120 HydrophobicContact CD1-CB 4.42Å; I117-A120 WeakPolarHBondContact O-CB 3.4Å; I117-A120 PolarHBondContact O-N 3.41Å; I117-A120 VanDerWaalsContact O-N 3.15Å; A120-Q122 PolarHBondContact O-N 2.86Å; A120-E123 PolarHBondContact O-N 2.88Å; A120-K124 VanDerWaalsContact O-CG 3.27Å; A120-K124 WeakPolarHBondContact O-CG 3.38Å; A120-K124 PolarHBondContact O-N 2.97Å |
| 121 | L | 97.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 69.5 Ų | 69.5 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 174.5 | 175.5 | 59.9 | 0 | 0 | 0 | 111.9 | V26 L29 I33 I117 Q118 P119 K124 H125 | V26-L121 HydrophobicContact CB-CD1 4.42Å; V26-L121 HydrophobicContact CG1-CD1 4.11Å; V26-L121 HydrophobicContact CG2-CD1 4.42Å; L29-L121 HydrophobicContact CB-CB 4.2Å; L29-L121 HydrophobicContact CB-CD1 4Å; L29-L121 HydrophobicContact CD1-CB 4.31Å; I33-L121 HydrophobicContact CD1-CD2 3.77Å; I117-L121 PolarHBondContact O-N 3.43Å; Q118-L121 PolarHBondContact O-N 2.89Å; P119-L121 VanDerWaalsContact C-N 3.32Å; P119-L121 PolarHBondContact O-N 3.07Å; L121-K124 PolarHBondContact O-N 3.06Å; L121-H125 PolarHBondContact O-CD2 3.39Å; L121-H125 VanDerWaalsContact O-CD2 3.31Å; L121-H125 PolarHBondContact O-N 3.31Å |
| 122 | Q | 97.1 | Very high | 96.4 | Very high | 125 Ų | 125 | 69.3 Ų | 69.3 | 58% | 0.584 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 177 | -73.4 | 176.7 | -19 | 0 | 0 | 112 | Q118 P119 A120 H125 A126 | Q118-Q122 WeakPolarHBondContact O-CG 3.3Å; Q118-Q122 PolarHBondContact O-N 2.98Å; P119-Q122 PolarHBondContact O-N 3.07Å; A120-Q122 PolarHBondContact O-N 2.86Å; Q122-H125 PolarHBondContact O-N 3.05Å; Q122-A126 PolarHBondContact O-N 3.43Å |
| 123 | E | 96.6 | Very high | 96.3 | Very high | 121 Ų | 121 | 68 Ų | 68 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.7 | -47.7 | 175.8 | -175.1 | -177.9 | 179.5 | 0 | 0 | 111.1 | P119 A120 H125 A126 M127 | P119-E123 WeakPolarHBondContact O-CB 3.1Å; P119-E123 PolarHBondContact O-N 3.23Å; A120-E123 PolarHBondContact O-N 2.88Å; E123-H125 VanDerWaalsContact C-N 3.34Å; E123-H125 PolarHBondContact O-N 3.44Å; E123-A126 PolarHBondContact O-N 3.38Å; E123-A126 VanDerWaalsContact O-N 3.16Å; E123-M127 HydrophobicContact CG-SD 4.26Å; E123-M127 VanDerWaalsContact O-CG 3.31Å; E123-M127 WeakPolarHBondContact O-CG 3.5Å; E123-M127 PolarHBondContact O-N 2.83Å |
| 124 | K | 96.4 | Very high | 96.2 | Very high | 51 Ų | 51 | 66.2 Ų | 66.2 | 22% | 0.222 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 178.2 | -65.2 | -56.1 | -177.1 | 158.5 | 0 | 112.8 | L22 E25 V26 L29 A120 L121 M127 K128 | L22-K124 HydrophobicContact CD2-CD 3.97Å; E25-K124 IonicContact OE1-NZ 3.2Å; E25-K124 WeakPolarHBondContact OE2-CD 3.19Å; E25-K124 WeakPolarHBondContact OE2-CE 3.49Å; E25-K124 IonicContact OE2-NZ 2.66Å; E25-K124 PolarHBondContact OE2-NZ 3.05Å; V26-K124 HydrophobicContact CG2-CB 3.87Å; L29-K124 HydrophobicContact CD1-CG 4.09Å; A120-K124 VanDerWaalsContact O-CG 3.27Å; A120-K124 WeakPolarHBondContact O-CG 3.38Å; A120-K124 PolarHBondContact O-N 2.97Å; L121-K124 PolarHBondContact O-N 3.06Å; K124-M127 HydrophobicContact CD-SD 4.13Å; K124-K128 WeakPolarHBondContact O-CB 3.49Å; K124-K128 PolarHBondContact O-N 3.28Å |
| 125 | H | 96.4 | Very high | 96.1 | Very high | 85 Ų | 85 | 66.7 Ų | 66.7 | 39% | 0.394 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 171.4 | -89.9 | -67.9 | 0 | 0 | 0 | 112.5 | V26 L121 Q122 E123 K128 Q129 | V26-H125 WeakPolarHBondContact CG1-CE1 3.38Å; V26-H125 WeakPolarHBondContact CG1-NE2 3.41Å; L121-H125 PolarHBondContact O-CD2 3.39Å; L121-H125 VanDerWaalsContact O-CD2 3.31Å; L121-H125 PolarHBondContact O-N 3.31Å; Q122-H125 PolarHBondContact O-N 3.05Å; E123-H125 VanDerWaalsContact C-N 3.34Å; E123-H125 PolarHBondContact O-N 3.44Å; H125-K128 PolarHBondContact O-N 3.45Å; H125-Q129 WeakPolarHBondContact O-CB 3.25Å; H125-Q129 PolarHBondContact O-N 2.76Å |
| 126 | A | 96.6 | Very high | 95.9 | Very high | 62 Ų | 62 | 65.8 Ų | 65.8 | 51% | 0.512 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q122 E123 K128 Q129 A130 | Q122-A126 PolarHBondContact O-N 3.43Å; E123-A126 PolarHBondContact O-N 3.38Å; E123-A126 VanDerWaalsContact O-N 3.16Å; A126-K128 PolarHBondContact O-N 3.42Å; A126-Q129 PolarHBondContact O-N 2.94Å; A126-A130 PolarHBondContact O-N 3.4Å |
| 127 | M | 95.1 | Very high | 95.8 | Very high | 78 Ų | 78 | 63.5 Ų | 63.5 | 38% | 0.384 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 174.9 | -70.3 | 177.4 | 73.9 | 0 | 0 | 111.6 | L22 E123 K124 Q129 A130 V131 | L22-M127 HydrophobicContact CD1-CB 4.21Å; L22-M127 HydrophobicContact CD2-CB 4.2Å; L22-M127 HydrophobicContact CD2-CE 4.47Å; E123-M127 HydrophobicContact CG-SD 4.26Å; E123-M127 VanDerWaalsContact O-CG 3.31Å; E123-M127 WeakPolarHBondContact O-CG 3.5Å; E123-M127 PolarHBondContact O-N 2.83Å; K124-M127 HydrophobicContact CD-SD 4.13Å; M127-Q129 VanDerWaalsContact C-N 3.3Å; M127-Q129 PolarHBondContact O-N 3.28Å; M127-A130 PolarHBondContact O-N 3.02Å; M127-V131 WeakPolarHBondContact O-CG2 3.43Å; M127-V131 PolarHBondContact O-N 3.18Å |
| 128 | K | 95.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 64 Ų | 64 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 176.7 | 173.3 | -177.2 | 156.4 | 173.7 | 0 | 111.4 | L22 D23 K124 H125 A126 V131 I132 | L22-K128 HydrophobicContact CB-CB 4.08Å; L22-K128 HydrophobicContact CD1-CB 4.25Å; D23-K128 VanDerWaalsContact OD1-CD 3.24Å; D23-K128 WeakPolarHBondContact OD1-CD 3.39Å; D23-K128 WeakPolarHBondContact OD1-CE 3.45Å; D23-K128 IonicContact OD1-NZ 2.69Å; D23-K128 PolarHBondContact OD1-NZ 2.81Å; K124-K128 WeakPolarHBondContact O-CB 3.49Å; K124-K128 PolarHBondContact O-N 3.28Å; H125-K128 PolarHBondContact O-N 3.45Å; A126-K128 PolarHBondContact O-N 3.42Å; K128-V131 PolarHBondContact O-N 3.38Å; K128-I132 HydrophobicContact CG-CD1 3.98Å; K128-I132 WeakPolarHBondContact O-CG1 3.29Å; K128-I132 PolarHBondContact O-N 3.36Å |
| 129 | Q | 95.7 | Very high | 95.5 | Very high | 95 Ų | 95 | 62.9 Ų | 62.9 | 44% | 0.444 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 179.5 | -174.8 | 56.3 | 35.2 | 0 | 0 | 111.4 | H125 A126 M127 V131 I132 E133 | H125-Q129 WeakPolarHBondContact O-CB 3.25Å; H125-Q129 PolarHBondContact O-N 2.76Å; A126-Q129 PolarHBondContact O-N 2.94Å; M127-Q129 VanDerWaalsContact C-N 3.3Å; M127-Q129 PolarHBondContact O-N 3.28Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.48Å; Q129-I132 PolarHBondContact O-N 2.92Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.43Å; Q129-E133 PolarHBondContact NE2-OE1 2.85Å; Q129-E133 WeakPolarHBondContact O-CG 3.47Å; Q129-E133 PolarHBondContact O-N 2.85Å |
| 130 | A | 95.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 64.1 Ų | 64.1 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L7 A126 M127 E133 V134 | L7-A130 HydrophobicContact CD1-CB 3.89Å; A126-A130 PolarHBondContact O-N 3.4Å; M127-A130 PolarHBondContact O-N 3.02Å; A130-E133 PolarHBondContact O-N 2.99Å; A130-V134 WeakPolarHBondContact O-CG2 3.42Å; A130-V134 PolarHBondContact O-N 3.39Å |
| 131 | V | 95.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 175 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L7 L15 L18 K19 L22 M127 K128 Q129 E133 V134 M135 | L7-V131 HydrophobicContact CD1-CG2 4.17Å; L7-V131 HydrophobicContact CD2-CG2 4.01Å; L15-V131 HydrophobicContact CB-CG1 4.28Å; L15-V131 HydrophobicContact CD2-CG1 4.1Å; L15-V131 WeakPolarHBondContact O-CG1 3.49Å; L18-V131 HydrophobicContact CD2-CG2 3.62Å; L18-V131 HydrophobicContact CG-CG2 4.06Å; K19-V131 HydrophobicContact CB-CG1 4.05Å; L22-V131 HydrophobicContact CD1-CG2 3.95Å; M127-V131 WeakPolarHBondContact O-CG2 3.43Å; M127-V131 PolarHBondContact O-N 3.18Å; K128-V131 PolarHBondContact O-N 3.38Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.48Å; V131-E133 VanDerWaalsContact C-N 3.34Å; V131-E133 PolarHBondContact O-N 3.34Å; V131-V134 PolarHBondContact O-N 3.38Å; V131-M135 HydrophobicContact CG1-SD 4.18Å; V131-M135 VanDerWaalsContact O-CG 3.32Å; V131-M135 WeakPolarHBondContact O-CG 3.4Å; V131-M135 PolarHBondContact O-N 2.96Å |
| 132 | I | 95.3 | Very high | 94.7 | Very high | 39 Ų | 39 | 71.4 Ų | 71.4 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62 | -42 | 178.3 | -68.8 | 166.3 | 0 | 0 | 0 | 111 | K19 K128 Q129 M135 N136 | K19-I132 HydrophobicContact CD-CG1 4.13Å; K19-I132 HydrophobicContact CG-CG1 4.46Å; K128-I132 HydrophobicContact CG-CD1 3.98Å; K128-I132 WeakPolarHBondContact O-CG1 3.29Å; K128-I132 PolarHBondContact O-N 3.36Å; Q129-I132 PolarHBondContact O-N 2.92Å; I132-M135 WeakPolarHBondContact O-CB 3.37Å; I132-M135 PolarHBondContact O-N 2.87Å; I132-N136 VanDerWaalsContact O-CG 3.28Å; I132-N136 PolarHBondContact O-N 3.31Å; I132-N136 PolarHBondContact O-ND2 3.17Å |
| 133 | E | 95.8 | Very high | 94.4 | Very high | 101 Ų | 101 | 70.8 Ų | 70.8 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 177.3 | -74.7 | 168.2 | -164.3 | 0 | 0 | 111.9 | Q129 A130 V131 M135 N136 L137 | Q129-E133 WeakPolarHBondContact CG-OE1 3.43Å; Q129-E133 PolarHBondContact NE2-OE1 2.85Å; Q129-E133 WeakPolarHBondContact O-CG 3.47Å; Q129-E133 PolarHBondContact O-N 2.85Å; A130-E133 PolarHBondContact O-N 2.99Å; V131-E133 VanDerWaalsContact C-N 3.34Å; V131-E133 PolarHBondContact O-N 3.34Å; E133-M135 PolarHBondContact O-N 2.83Å; E133-N136 PolarHBondContact O-N 2.72Å; E133-L137 WeakPolarHBondContact O-CG 3.36Å; E133-L137 PolarHBondContact O-N 3.33Å |
| 134 | V | 95.4 | Very high | 94 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 12% | 0.121 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 177.1 | 175.2 | 0 | 0 | 0 | 0 | 111.9 | L7 L15 A130 V131 L137 K138 | L7-V134 HydrophobicContact CB-CB 4.47Å; L7-V134 HydrophobicContact CB-CG1 4.4Å; L7-V134 HydrophobicContact CB-CG2 3.96Å; L7-V134 WeakPolarHBondContact O-CG1 3.44Å; L15-V134 HydrophobicContact CD1-CG1 3.97Å; L15-V134 HydrophobicContact CD2-CG1 4.45Å; A130-V134 WeakPolarHBondContact O-CG2 3.42Å; A130-V134 PolarHBondContact O-N 3.39Å; V131-V134 PolarHBondContact O-N 3.38Å; V134-L137 PolarHBondContact O-N 2.85Å; V134-K138 HydrophobicContact CG1-CD 4.35Å; V134-K138 PolarHBondContact O-N 3.39Å |
| 135 | M | 94.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 70.6 Ų | 70.6 | 9% | 0.094 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 172.9 | -75.1 | 178 | 64.7 | 0 | 0 | 111.3 | L12 L15 E16 K19 V131 I132 E133 L137 K138 I139 | L12-M135 HydrophobicContact CD2-CB 4.41Å; L12-M135 HydrophobicContact CD2-CG 4.47Å; L15-M135 HydrophobicContact CB-CG 3.42Å; L15-M135 VanDerWaalsContact CB-CG 3.42Å; L15-M135 HydrophobicContact CB-SD 3.89Å; L15-M135 HydrophobicContact CD1-CG 3.82Å; L15-M135 HydrophobicContact CG-CG 4.17Å; E16-M135 HydrophobicContact CG-CE 3.44Å; E16-M135 VanDerWaalsContact CG-CE 3.44Å; E16-M135 HydrophobicContact CG-SD 4.47Å; K19-M135 HydrophobicContact CB-SD 4.49Å; K19-M135 HydrophobicContact CD-SD 4.33Å; V131-M135 HydrophobicContact CG1-SD 4.18Å; V131-M135 VanDerWaalsContact O-CG 3.32Å; V131-M135 WeakPolarHBondContact O-CG 3.4Å; V131-M135 PolarHBondContact O-N 2.96Å; I132-M135 WeakPolarHBondContact O-CB 3.37Å; I132-M135 PolarHBondContact O-N 2.87Å; E133-M135 PolarHBondContact O-N 2.83Å; M135-L137 VanDerWaalsContact C-N 3.35Å; M135-L137 PolarHBondContact O-N 3.22Å; M135-K138 PolarHBondContact O-N 3.2Å; M135-I139 VanDerWaalsContact O-CG1 3.32Å; M135-I139 WeakPolarHBondContact O-CG1 3.42Å; M135-I139 PolarHBondContact O-N 3.24Å |
| 136 | N | 94.6 | Very high | 92.7 | Very high | 96 Ų | 96 | 72.2 Ų | 72.2 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 179.6 | -71.7 | -22.3 | 0 | 0 | 0 | 111.9 | I132 E133 K138 I139 Q140 | I132-N136 VanDerWaalsContact O-CG 3.28Å; I132-N136 PolarHBondContact O-N 3.31Å; I132-N136 PolarHBondContact O-ND2 3.17Å; E133-N136 PolarHBondContact O-N 2.72Å; N136-K138 PolarHBondContact O-N 3.18Å; N136-I139 PolarHBondContact O-N 2.88Å; N136-Q140 WeakPolarHBondContact O-CB 3.46Å; N136-Q140 PolarHBondContact O-N 3.2Å |
| 137 | L | 94.4 | Very high | 91.9 | Very high | 99 Ų | 99 | 75.4 Ų | 75.4 | 52% | 0.518 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 175.6 | -72.2 | 171.8 | 0 | 0 | 0 | 112 | E133 V134 M135 Q140 Q141 | E133-L137 WeakPolarHBondContact O-CG 3.36Å; E133-L137 PolarHBondContact O-N 3.33Å; V134-L137 PolarHBondContact O-N 2.85Å; M135-L137 VanDerWaalsContact C-N 3.35Å; M135-L137 PolarHBondContact O-N 3.22Å; L137-Q140 PolarHBondContact O-N 2.63Å; L137-Q141 WeakPolarHBondContact O-CG 3.34Å; L137-Q141 PolarHBondContact O-N 3.44Å |
| 138 | K | 92.8 | Very high | 91 | Very high | 48 Ų | 48 | 74.3 Ų | 74.3 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 177.9 | -78.5 | 174.4 | -177.9 | -90.6 | 0 | 112.3 | T8 L10 L12 L15 V134 M135 N136 Q140 Q141 L142 | T8-K138 WeakPolarHBondContact O-CE 3.39Å; T8-K138 PolarHBondContact O-NZ 3.18Å; L10-K138 WeakPolarHBondContact O-CE 3.2Å; L10-K138 PolarHBondContact O-NZ 2.73Å; L12-K138 HydrophobicContact CD2-CB 3.78Å; L12-K138 HydrophobicContact CD2-CD 4.33Å; L12-K138 HydrophobicContact CG-CB 4.28Å; L15-K138 HydrophobicContact CD1-CD 3.7Å; V134-K138 HydrophobicContact CG1-CD 4.35Å; V134-K138 PolarHBondContact O-N 3.39Å; M135-K138 PolarHBondContact O-N 3.2Å; N136-K138 PolarHBondContact O-N 3.18Å; K138-Q140 VanDerWaalsContact C-N 3.32Å; K138-Q140 PolarHBondContact O-N 3.04Å; K138-Q141 PolarHBondContact O-N 2.91Å; K138-L142 WeakPolarHBondContact O-CG 3.2Å; K138-L142 PolarHBondContact O-N 2.97Å |
| 139 | I | 93 | Very high | 90 | Very high | 64 Ų | 64 | 76 Ų | 76 | 33% | 0.328 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 176.1 | -69.2 | 166.2 | 0 | 0 | 0 | 110.3 | L12 M135 N136 L142 Q143 | L12-I139 HydrophobicContact CD1-CG1 4.11Å; L12-I139 HydrophobicContact CD2-CG1 4.05Å; M135-I139 VanDerWaalsContact O-CG1 3.32Å; M135-I139 WeakPolarHBondContact O-CG1 3.42Å; M135-I139 PolarHBondContact O-N 3.24Å; N136-I139 PolarHBondContact O-N 2.88Å; I139-L142 PolarHBondContact O-N 2.72Å; I139-Q143 WeakPolarHBondContact O-CG 3.35Å; I139-Q143 PolarHBondContact O-N 2.86Å |
| 140 | Q | 93.3 | Very high | 88.5 | Confident | 99 Ų | 99 | 78.1 Ų | 78.1 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 178.4 | -169.3 | 179.5 | 17.1 | 0 | 0 | 112.2 | N136 L137 K138 L142 Q143 Q144 | N136-Q140 WeakPolarHBondContact O-CB 3.46Å; N136-Q140 PolarHBondContact O-N 3.2Å; L137-Q140 PolarHBondContact O-N 2.63Å; K138-Q140 VanDerWaalsContact C-N 3.32Å; K138-Q140 PolarHBondContact O-N 3.04Å; Q140-L142 PolarHBondContact O-N 3.44Å; Q140-Q143 PolarHBondContact O-N 3.25Å; Q140-Q144 WeakPolarHBondContact O-CG 3.31Å; Q140-Q144 PolarHBondContact O-N 2.79Å |
| 141 | Q | 90.5 | Very high | 86.9 | Confident | 129 Ų | 129 | 83.6 Ų | 83.6 | 60% | 0.603 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 175.2 | -76.2 | 177.5 | -2.6 | 0 | 0 | 112.2 | L137 K138 Q144 S145 | L137-Q141 WeakPolarHBondContact O-CG 3.34Å; L137-Q141 PolarHBondContact O-N 3.44Å; K138-Q141 PolarHBondContact O-N 2.91Å; Q141-Q144 PolarHBondContact O-N 3.09Å; Q141-S145 WeakPolarHBondContact O-CB 2.97Å; Q141-S145 PolarHBondContact O-N 3.08Å; Q141-S145 PolarHBondContact O-OG 2.77Å |
| 142 | L | 89.3 | Confident | 85.3 | Confident | 84 Ų | 84 | 87.6 Ų | 87.6 | 44% | 0.44 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 176.4 | -73.9 | 170.2 | 0 | 0 | 0 | 111.5 | L12 K138 I139 Q140 Q144 S145 Q146 | L12-L142 HydrophobicContact CD1-CD1 3.54Å; K138-L142 WeakPolarHBondContact O-CG 3.2Å; K138-L142 PolarHBondContact O-N 2.97Å; I139-L142 PolarHBondContact O-N 2.72Å; Q140-L142 PolarHBondContact O-N 3.44Å; L142-Q144 PolarHBondContact O-N 2.82Å; L142-S145 PolarHBondContact O-N 3.41Å; L142-S145 PolarHBondContact O-OG 2.89Å; L142-Q146 WeakPolarHBondContact O-CG 3.32Å; L142-Q146 PolarHBondContact O-N 3.15Å |
| 143 | Q | 89.5 | Confident | 83.6 | Confident | 112 Ų | 112 | 88 Ų | 88 | 52% | 0.523 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 177.2 | -73 | 174.8 | -8.3 | 0 | 0 | 112.3 | I139 Q140 Q146 Q147 | I139-Q143 WeakPolarHBondContact O-CG 3.35Å; I139-Q143 PolarHBondContact O-N 2.86Å; Q140-Q143 PolarHBondContact O-N 3.25Å; Q143-Q146 PolarHBondContact O-N 2.9Å; Q143-Q147 WeakPolarHBondContact O-CG 3.37Å; Q143-Q147 PolarHBondContact O-N 2.88Å; Q143-Q147 VanDerWaalsContact O-N 3.11Å |
| 144 | Q | 89.1 | Confident | 81.8 | Confident | 110 Ų | 110 | 89.8 Ų | 89.8 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 177 | -71.1 | 174.5 | 7.5 | 0 | 0 | 112 | Q140 Q141 L142 Q146 Q147 A148 | Q140-Q144 WeakPolarHBondContact O-CG 3.31Å; Q140-Q144 PolarHBondContact O-N 2.79Å; Q141-Q144 PolarHBondContact O-N 3.09Å; L142-Q144 PolarHBondContact O-N 2.82Å; Q144-Q146 PolarHBondContact O-N 3.37Å; Q144-Q147 PolarHBondContact O-N 3.5Å; Q144-A148 WeakPolarHBondContact O-CB 3.29Å; Q144-A148 PolarHBondContact O-N 3.42Å |
| 145 | S | 85.3 | Confident | 79.9 | Confident | 57 Ų | 57 | 92.8 Ų | 92.8 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 178.3 | 71.3 | 0 | 0 | 0 | 0 | 113.1 | Q141 L142 S149 | Q141-S145 WeakPolarHBondContact O-CB 2.97Å; Q141-S145 PolarHBondContact O-N 3.08Å; Q141-S145 PolarHBondContact O-OG 2.77Å; L142-S145 PolarHBondContact O-N 3.41Å; L142-S145 PolarHBondContact O-OG 2.89Å; S145-S149 WeakPolarHBondContact O-CB 3.46Å; S145-S149 PolarHBondContact O-N 3.14Å; S145-S149 VanDerWaalsContact O-N 3.08Å; S145-S149 PolarHBondContact O-OG 2.91Å |
| 146 | Q | 81.1 | Confident | 78 | Confident | 120 Ų | 120 | 100.6 Ų | 100.6 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.5 | -40.8 | 176.1 | -72.9 | -179.9 | 16.4 | 0 | 0 | 112 | L142 Q143 Q144 S149 Q150 | L142-Q146 WeakPolarHBondContact O-CG 3.32Å; L142-Q146 PolarHBondContact O-N 3.15Å; Q143-Q146 PolarHBondContact O-N 2.9Å; Q144-Q146 PolarHBondContact O-N 3.37Å; Q146-S149 PolarHBondContact O-N 2.98Å; Q146-Q150 WeakPolarHBondContact O-CG 3.44Å; Q146-Q150 PolarHBondContact O-N 3.39Å; Q146-Q150 VanDerWaalsContact O-N 3.08Å |
| 147 | Q | 78.3 | Confident | 75.8 | Confident | 128 Ų | 128 | 102.9 Ų | 102.9 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.1 | -42 | 176 | -72.6 | 176.6 | -0.8 | 0 | 0 | 112 | Q143 Q144 S149 Q150 M151 | Q143-Q147 WeakPolarHBondContact O-CG 3.37Å; Q143-Q147 PolarHBondContact O-N 2.88Å; Q143-Q147 VanDerWaalsContact O-N 3.11Å; Q144-Q147 PolarHBondContact O-N 3.5Å; Q147-S149 VanDerWaalsContact C-N 3.34Å; Q147-S149 PolarHBondContact O-N 3.35Å; Q147-Q150 PolarHBondContact O-N 3.29Å; Q147-M151 PolarHBondContact O-N 2.87Å; Q147-M151 VanDerWaalsContact O-N 3.14Å |
| 148 | A | 76.8 | Confident | 74.8 | Confident | 55 Ų | 55 | 103.1 Ų | 103.1 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.1 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q144 M151 V152 | Q144-A148 WeakPolarHBondContact O-CB 3.29Å; Q144-A148 PolarHBondContact O-N 3.42Å; A148-M151 PolarHBondContact O-N 3.48Å; A148-V152 WeakPolarHBondContact O-CG2 3.03Å; A148-V152 PolarHBondContact O-N 3.27Å |
| 149 | S | 73.2 | Confident | 73.9 | Confident | 84 Ų | 84 | 105.9 Ų | 105.9 | 59% | 0.587 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.2 | -35 | 179.1 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | S145 Q146 Q147 G153 | S145-S149 WeakPolarHBondContact O-CB 3.46Å; S145-S149 PolarHBondContact O-N 3.14Å; S145-S149 VanDerWaalsContact O-N 3.08Å; S145-S149 PolarHBondContact O-OG 2.91Å; Q146-S149 PolarHBondContact O-N 2.98Å; Q147-S149 VanDerWaalsContact C-N 3.34Å; Q147-S149 PolarHBondContact O-N 3.35Å; S149-G153 PolarHBondContact O-N 3.11Å |
| 150 | Q | 65.8 | Low | 72.8 | Confident | 140 Ų | 140 | 108.3 Ų | 108.3 | 65% | 0.654 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72 | -34.8 | 175.5 | -74.9 | 177.3 | 0.5 | 0 | 0 | 112.9 | Q146 Q147 G153 N154 | Q146-Q150 WeakPolarHBondContact O-CG 3.44Å; Q146-Q150 PolarHBondContact O-N 3.39Å; Q146-Q150 VanDerWaalsContact O-N 3.08Å; Q147-Q150 PolarHBondContact O-N 3.29Å; Q150-G153 PolarHBondContact O-N 2.78Å; Q150-N154 PolarHBondContact O-N 2.84Å |
| 151 | M | 61.2 | Low | 71.6 | Confident | 149 Ų | 149 | 108.8 Ų | 108.8 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.8 | -38 | 175.6 | -73.8 | -173.9 | 167.8 | 0 | 0 | 112.9 | Q147 A148 A155 | Q147-M151 PolarHBondContact O-N 2.87Å; Q147-M151 VanDerWaalsContact O-N 3.14Å; A148-M151 PolarHBondContact O-N 3.48Å; M151-A155 WeakPolarHBondContact O-CB 3.34Å; M151-A155 PolarHBondContact O-N 2.9Å |
| 152 | V | 61.8 | Low | 70.5 | Confident | 86 Ų | 86 | 107.6 Ų | 107.6 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.4 | -32.4 | 176.1 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | A148 | A148-V152 WeakPolarHBondContact O-CG2 3.03Å; A148-V152 PolarHBondContact O-N 3.27Å |
| 153 | G | 59.3 | Low | 69.2 | Low | 47 Ų | 47 | 109.1 Ų | 109.1 | 49% | 0.485 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.7 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S149 Q150 | S149-G153 PolarHBondContact O-N 3.11Å; Q150-G153 PolarHBondContact O-N 2.78Å |
| 154 | N | 58.2 | Low | 67.7 | Low | 140 Ų | 140 | 108.9 Ų | 108.9 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.5 | -22.1 | 177.3 | -91.4 | 14.9 | 0 | 0 | 0 | 114.2 | Q150 K156 | Q150-N154 PolarHBondContact O-N 2.84Å; N154-K156 VanDerWaalsContact C-N 3.32Å |
| 155 | A | 55.8 | Low | 66.1 | Low | 83 Ų | 83 | 108.8 Ų | 108.8 | 69% | 0.686 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -7.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M151 | M151-A155 WeakPolarHBondContact O-CB 3.34Å; M151-A155 PolarHBondContact O-N 2.9Å |
| 156 | K | 54.1 | Low | 64.5 | Low | 183 Ų | 183 | 113.2 Ų | 113.2 | 80% | 0.796 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 4 | 178.7 | -78.2 | -173.4 | 173 | -177.3 | 0 | 113.9 | N154 | N154-K156 VanDerWaalsContact C-N 3.32Š|
| 157 | A | 48.5 | Very low | 63 | Low | 143 Ų | 143 | 112.5 Ų | 112.5 | 100% | 1.182 | 68% | 0.677 | S | S | * | * | trans | -104.7 | 0 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 157 of 157 residues in 92.5 ms
(Link to these results)