| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.9 | Very low | 70.4 | Confident | 226 Ų | 226 | 116.9 Ų | 116.9 | 100% | 1.113 | 63% | 0.632 | S | S | * | * | 0 | -30.8 | 0 | -83.3 | 171 | 159.7 | 0 | 0 | 114.5 | A3 | M1-A3 PolarHBondContact O-N 3.33Š| |||
| 2 | M | 54.8 | Low | 71.6 | Confident | 162 Ų | 162 | 118 Ų | 118 | 80% | 0.798 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.1 | -22.9 | -177 | -76.5 | -175.8 | -93 | 0 | 0 | 116.7 | ||
| 3 | A | 58.3 | Low | 72.6 | Confident | 71 Ų | 71 | 118.2 Ų | 118.2 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.2 | -33 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1 K6 I7 | M1-A3 PolarHBondContact O-N 3.33Å; A3-K6 PolarHBondContact O-N 3.28Å; A3-I7 PolarHBondContact O-N 3.39Å |
| 4 | G | 59.5 | Low | 73.3 | Confident | 42 Ų | 42 | 117.8 Ų | 117.8 | 43% | 0.433 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.9 | -39.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K6 I7 Q8 | G4-K6 VanDerWaalsContact C-N 3.3Å; G4-K6 PolarHBondContact O-N 3.41Å; G4-I7 PolarHBondContact O-N 3.38Å; G4-Q8 PolarHBondContact O-N 3.02Å |
| 5 | M | 68.6 | Low | 73.9 | Confident | 126 Ų | 126 | 117.5 Ų | 117.5 | 62% | 0.621 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.2 | -34.5 | 176.1 | -74.2 | 164.6 | 64.8 | 0 | 0 | 112.4 | L9 | M5-L9 WeakPolarHBondContact O-CB 3.42Å; M5-L9 PolarHBondContact O-N 3.5Å |
| 6 | K | 74 | Confident | 74.3 | Confident | 150 Ų | 150 | 112.8 Ų | 112.8 | 65% | 0.652 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.1 | -39.4 | 177.4 | -69.5 | -165.6 | 174.4 | -171.1 | 0 | 112.2 | A3 G4 L9 V10 | A3-K6 PolarHBondContact O-N 3.28Å; G4-K6 VanDerWaalsContact C-N 3.3Å; G4-K6 PolarHBondContact O-N 3.41Å; K6-L9 PolarHBondContact O-N 3.38Å; K6-V10 VanDerWaalsContact O-CG2 3.28Å; K6-V10 WeakPolarHBondContact O-CG2 3.36Å; K6-V10 PolarHBondContact O-N 2.92Å |
| 7 | I | 81.9 | Confident | 74.3 | Confident | 115 Ų | 115 | 115.1 Ų | 115.1 | 59% | 0.59 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.2 | -41 | 177.3 | -69 | 157.9 | 0 | 0 | 0 | 110.8 | A3 G4 L9 V10 C11 | A3-I7 PolarHBondContact O-N 3.39Å; G4-I7 PolarHBondContact O-N 3.38Å; I7-L9 PolarHBondContact O-N 2.86Å; I7-V10 PolarHBondContact O-N 3.41Å; I7-C11 PolarHBondContact O-N 3.37Å |
| 8 | Q | 79.5 | Confident | 74.1 | Confident | 136 Ų | 136 | 111.3 Ų | 111.3 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.3 | -43.4 | 172 | -95.2 | 179 | -55.3 | 0 | 0 | 112.2 | G4 V10 C11 M12 | G4-Q8 PolarHBondContact O-N 3.02Å; Q8-V10 PolarHBondContact O-N 3.34Å; Q8-C11 PolarHBondContact O-N 3.48Å; Q8-M12 WeakPolarHBondContact O-CB 3.3Å; Q8-M12 WeakPolarHBondContact O-CG 3.28Å; Q8-M12 PolarHBondContact O-N 3.48Å |
| 9 | L | 81.7 | Confident | 73.9 | Confident | 110 Ų | 110 | 109 Ų | 109 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.5 | -41.5 | 176.7 | -89.7 | 165.2 | 0 | 0 | 0 | 112.4 | M5 K6 I7 M12 L13 | M5-L9 WeakPolarHBondContact O-CB 3.42Å; M5-L9 PolarHBondContact O-N 3.5Å; K6-L9 PolarHBondContact O-N 3.38Å; I7-L9 PolarHBondContact O-N 2.86Å; L9-M12 PolarHBondContact O-N 3.38Å; L9-L13 WeakPolarHBondContact O-CB 3.19Å; L9-L13 PolarHBondContact O-N 2.96Å |
| 10 | V | 85 | Confident | 73.5 | Confident | 83 Ų | 83 | 114 Ų | 114 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.6 | -42.9 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111 | K6 I7 Q8 M12 L13 L14 | K6-V10 VanDerWaalsContact O-CG2 3.28Å; K6-V10 WeakPolarHBondContact O-CG2 3.36Å; K6-V10 PolarHBondContact O-N 2.92Å; I7-V10 PolarHBondContact O-N 3.41Å; Q8-V10 PolarHBondContact O-N 3.34Å; V10-M12 PolarHBondContact O-N 3.01Å; V10-L13 PolarHBondContact O-N 2.9Å; V10-L14 HydrophobicContact CG1-CD1 3.9Å; V10-L14 HydrophobicContact CG1-CG 4.44Å; V10-L14 WeakPolarHBondContact O-CB 3.32Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.9Å |
| 11 | C | 81.3 | Confident | 73 | Confident | 65 Ų | 65 | 112.1 Ų | 112.1 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.9 | -40.9 | 174.3 | -78.7 | 0 | 0 | 0 | 0 | 112.5 | I7 Q8 L14 L15 | I7-C11 PolarHBondContact O-N 3.37Å; Q8-C11 PolarHBondContact O-N 3.48Å; C11-L14 PolarHBondContact O-N 3.32Å; C11-L15 WeakPolarHBondContact O-CB 3.29Å; C11-L15 VanDerWaalsContact O-CG 3.29Å; C11-L15 WeakPolarHBondContact O-CG 3.44Å; C11-L15 PolarHBondContact O-N 2.99Å |
| 12 | M | 85.2 | Confident | 73.5 | Confident | 130 Ų | 130 | 107.4 Ų | 107.4 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.3 | -38.3 | 177.3 | -68.9 | -68.4 | -88.4 | 0 | 0 | 111.8 | Q8 L9 V10 A16 | Q8-M12 WeakPolarHBondContact O-CB 3.3Å; Q8-M12 WeakPolarHBondContact O-CG 3.28Å; Q8-M12 PolarHBondContact O-N 3.48Å; L9-M12 PolarHBondContact O-N 3.38Å; V10-M12 PolarHBondContact O-N 3.01Å; M12-A16 VanDerWaalsContact O-CB 3.32Å; M12-A16 WeakPolarHBondContact O-CB 3.43Å; M12-A16 PolarHBondContact O-N 3.01Å |
| 13 | L | 84.7 | Confident | 73.5 | Confident | 121 Ų | 121 | 103.7 Ų | 103.7 | 63% | 0.634 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.5 | -42.9 | 173.5 | -98 | 149.9 | 0 | 0 | 0 | 112.2 | L9 V10 A16 F17 | L9-L13 WeakPolarHBondContact O-CB 3.19Å; L9-L13 PolarHBondContact O-N 2.96Å; V10-L13 PolarHBondContact O-N 2.9Å; L13-A16 PolarHBondContact O-N 3.12Å; L13-F17 WeakPolarHBondContact O-CB 3.28Å; L13-F17 PolarHBondContact O-N 2.95Å |
| 14 | L | 81.9 | Confident | 73.6 | Confident | 112 Ų | 112 | 103.1 Ų | 103.1 | 59% | 0.586 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.1 | -39.8 | 177 | -74 | 169.3 | 0 | 0 | 0 | 111.9 | V10 C11 F17 S18 | V10-L14 HydrophobicContact CG1-CD1 3.9Å; V10-L14 HydrophobicContact CG1-CG 4.44Å; V10-L14 WeakPolarHBondContact O-CB 3.32Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.9Å; C11-L14 PolarHBondContact O-N 3.32Å; L14-F17 PolarHBondContact O-N 3.01Å; L14-S18 WeakPolarHBondContact O-CB 3.49Å; L14-S18 PolarHBondContact O-N 2.92Å; L14-S18 PolarHBondContact O-OG 2.94Å |
| 15 | L | 82.3 | Confident | 73.7 | Confident | 113 Ų | 113 | 105.9 Ų | 105.9 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.3 | -37.2 | 175 | -76.4 | 168.4 | 0 | 0 | 0 | 112.6 | C11 S18 S19 | C11-L15 WeakPolarHBondContact O-CB 3.29Å; C11-L15 VanDerWaalsContact O-CG 3.29Å; C11-L15 WeakPolarHBondContact O-CG 3.44Å; C11-L15 PolarHBondContact O-N 2.99Å; L15-S18 PolarHBondContact O-OG 2.9Å; L15-S18 VanDerWaalsContact O-OG 3.12Å; L15-S19 VanDerWaalsContact O-CB 3.32Å; L15-S19 WeakPolarHBondContact O-CB 3.41Å; L15-S19 PolarHBondContact O-N 3.49Å; L15-S19 PolarHBondContact O-OG 3.47Å; L15-S19 VanDerWaalsContact O-OG 3.13Å |
| 16 | A | 79.6 | Confident | 73.5 | Confident | 43 Ų | 43 | 103.2 Ų | 103.2 | 36% | 0.355 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.3 | -35.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M12 L13 S19 W20 | M12-A16 VanDerWaalsContact O-CB 3.32Å; M12-A16 WeakPolarHBondContact O-CB 3.43Å; M12-A16 PolarHBondContact O-N 3.01Å; L13-A16 PolarHBondContact O-N 3.12Å; A16-S19 WeakPolarHBondContact CA-OG 3.39Å; A16-S19 PolarHBondContact O-OG 3.18Å; A16-W20 PolarHBondContact O-N 3.42Å |
| 17 | F | 74.9 | Confident | 73.2 | Confident | 151 Ų | 151 | 100.6 Ų | 100.6 | 66% | 0.662 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.1 | -40.8 | 177.9 | -166.8 | -97.8 | 0 | 0 | 0 | 111.9 | L13 L14 S21 | L13-F17 WeakPolarHBondContact O-CB 3.28Å; L13-F17 PolarHBondContact O-N 2.95Å; L14-F17 PolarHBondContact O-N 3.01Å; F17-S21 WeakPolarHBondContact O-CB 3.32Å; F17-S21 PolarHBondContact O-N 3.42Å |
| 18 | S | 71.4 | Confident | 72.8 | Confident | 48 Ų | 48 | 100.8 Ų | 100.8 | 34% | 0.336 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 175 | 64.2 | 0 | 0 | 0 | 0 | 112 | L14 L15 S21 L22 | L14-S18 WeakPolarHBondContact O-CB 3.49Å; L14-S18 PolarHBondContact O-N 2.92Å; L14-S18 PolarHBondContact O-OG 2.94Å; L15-S18 PolarHBondContact O-OG 2.9Å; L15-S18 VanDerWaalsContact O-OG 3.12Å; S18-S21 PolarHBondContact O-N 3.13Å; S18-L22 VanDerWaalsContact O-CB 3.28Å; S18-L22 WeakPolarHBondContact O-CB 3.32Å; S18-L22 WeakPolarHBondContact O-CD1 3.38Å; S18-L22 WeakPolarHBondContact O-CG 3.38Å; S18-L22 PolarHBondContact O-N 3.4Å |
| 19 | S | 70.2 | Confident | 72.3 | Confident | 67 Ų | 67 | 99.9 Ų | 99.9 | 47% | 0.469 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 175.9 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | L15 A16 C23 | L15-S19 VanDerWaalsContact O-CB 3.32Å; L15-S19 WeakPolarHBondContact O-CB 3.41Å; L15-S19 PolarHBondContact O-N 3.49Å; L15-S19 PolarHBondContact O-OG 3.47Å; L15-S19 VanDerWaalsContact O-OG 3.13Å; A16-S19 WeakPolarHBondContact CA-OG 3.39Å; A16-S19 PolarHBondContact O-OG 3.18Å; S19-C23 VanDerWaalsContact O-CB 3.23Å; S19-C23 WeakPolarHBondContact O-CB 3.44Å; S19-C23 PolarHBondContact O-N 3.37Å; S19-C23 VanDerWaalsContact O-N 3.11Å |
| 20 | W | 66.4 | Low | 71.7 | Confident | 208 Ų | 208 | 97.8 Ų | 97.8 | 79% | 0.788 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.7 | -42.2 | 173.6 | -86.3 | -23.5 | 0 | 0 | 0 | 113.3 | A16 S24 | A16-W20 PolarHBondContact O-N 3.42Å; W20-S24 PolarHBondContact O-N 3.11Å |
| 21 | S | 62.3 | Low | 71.3 | Confident | 76 Ų | 76 | 98.6 Ų | 98.6 | 53% | 0.531 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.6 | -38.3 | -179.5 | -176.7 | 0 | 0 | 0 | 0 | 112.9 | F17 S18 | F17-S21 WeakPolarHBondContact O-CB 3.32Å; F17-S21 PolarHBondContact O-N 3.42Å; S18-S21 PolarHBondContact O-N 3.13Å |
| 22 | L | 60 | Low | 71 | Confident | 126 Ų | 126 | 98.1 Ų | 98.1 | 66% | 0.66 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -81.3 | -30.7 | -177.4 | -74.7 | 159.4 | 0 | 0 | 0 | 112.8 | S18 | S18-L22 VanDerWaalsContact O-CB 3.28Å; S18-L22 WeakPolarHBondContact O-CB 3.32Å; S18-L22 WeakPolarHBondContact O-CD1 3.38Å; S18-L22 WeakPolarHBondContact O-CG 3.38Å; S18-L22 PolarHBondContact O-N 3.4Å |
| 23 | C | 55.5 | Low | 70.3 | Confident | 85 Ų | 85 | 97.6 Ų | 97.6 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -74.5 | -37.4 | 179.8 | -135.2 | 0 | 0 | 0 | 0 | 112 | S19 S26 E27 | S19-C23 VanDerWaalsContact O-CB 3.23Å; S19-C23 WeakPolarHBondContact O-CB 3.44Å; S19-C23 PolarHBondContact O-N 3.37Å; S19-C23 VanDerWaalsContact O-N 3.11Å; C23-S26 PolarHBondContact O-N 3.23Å; C23-S26 PolarHBondContact O-OG 3.05Å; C23-E27 PolarHBondContact O-N 2.99Å |
| 24 | S | 60 | Low | 69.7 | Low | 59 Ų | 59 | 94 Ų | 94 | 41% | 0.413 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -42 | -177.8 | -152.7 | 0 | 0 | 0 | 0 | 112.4 | W20 S26 E27 E28 | W20-S24 PolarHBondContact O-N 3.11Å; S24-S26 PolarHBondContact O-N 2.93Å; S24-E27 PolarHBondContact O-N 3.04Å; S24-E28 WeakPolarHBondContact O-CG 3.23Å; S24-E28 PolarHBondContact O-N 3.31Å; S24-E28 VanDerWaalsContact O-N 3.12Å |
| 25 | D | 62.4 | Low | 69.5 | Low | 100 Ų | 100 | 91 Ų | 91 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 179.2 | -163.6 | 43.6 | 0 | 0 | 0 | 111.4 | E27 E28 E29 | D25-E27 VanDerWaalsContact C-N 3.35Å; D25-E27 PolarHBondContact O-N 3.26Å; D25-E28 PolarHBondContact O-N 3.01Å; D25-E29 WeakPolarHBondContact O-CG 3.4Å; D25-E29 PolarHBondContact O-N 3.33Å |
| 26 | S | 63 | Low | 69.1 | Low | 70 Ų | 70 | 90.5 Ų | 90.5 | 49% | 0.49 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 178 | 76.2 | 0 | 0 | 0 | 0 | 113.8 | C23 S24 M30 | C23-S26 PolarHBondContact O-N 3.23Å; C23-S26 PolarHBondContact O-OG 3.05Å; S24-S26 PolarHBondContact O-N 2.93Å; S26-M30 WeakPolarHBondContact O-CB 3.34Å; S26-M30 PolarHBondContact O-N 3.33Å |
| 27 | E | 69 | Low | 68.8 | Low | 95 Ų | 95 | 92 Ų | 92 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.8 | -36.6 | 178.2 | -170.3 | -175.4 | 155.4 | 0 | 0 | 111.3 | C23 S24 D25 M30 K31 | C23-E27 PolarHBondContact O-N 2.99Å; S24-E27 PolarHBondContact O-N 3.04Å; D25-E27 VanDerWaalsContact C-N 3.35Å; D25-E27 PolarHBondContact O-N 3.26Å; E27-M30 HydrophobicContact CG-CE 4.33Å; E27-K31 VanDerWaalsContact O-CG 3.32Å; E27-K31 WeakPolarHBondContact O-CG 3.28Å; E27-K31 PolarHBondContact O-N 2.85Å; E27-K31 WeakPolarHBondContact OE1-CE 3.27Å; E27-K31 IonicContact OE1-NZ 2.67Å; E27-K31 PolarHBondContact OE1-NZ 2.98Å |
| 28 | E | 73.2 | Confident | 68.6 | Low | 118 Ų | 118 | 86.7 Ų | 86.7 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.9 | -45.9 | 178.1 | -73.7 | 175.3 | -157.3 | 0 | 0 | 112 | S24 D25 M30 K31 A32 | S24-E28 WeakPolarHBondContact O-CG 3.23Å; S24-E28 PolarHBondContact O-N 3.31Å; S24-E28 VanDerWaalsContact O-N 3.12Å; D25-E28 PolarHBondContact O-N 3.01Å; E28-M30 VanDerWaalsContact C-N 3.29Å; E28-M30 PolarHBondContact O-N 3.17Å; E28-K31 PolarHBondContact O-N 3.4Å; E28-K31 VanDerWaalsContact O-N 3.17Å; E28-A32 PolarHBondContact O-N 2.9Å |
| 29 | E | 69 | Low | 68.7 | Low | 117 Ų | 117 | 87.8 Ų | 87.8 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 173.6 | -73.1 | -69.5 | 141.5 | 0 | 0 | 111.6 | D25 A32 L33 | D25-E29 WeakPolarHBondContact O-CG 3.4Å; D25-E29 PolarHBondContact O-N 3.33Å; E29-A32 PolarHBondContact O-N 3.12Å; E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 3.4Å |
| 30 | M | 69.6 | Low | 68.4 | Low | 66 Ų | 66 | 87.1 Ų | 87.1 | 33% | 0.325 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 175.1 | -179 | -178.2 | 62.1 | 0 | 0 | 112.1 | S26 E27 E28 A32 L33 E34 Q106 | S26-M30 WeakPolarHBondContact O-CB 3.34Å; S26-M30 PolarHBondContact O-N 3.33Å; E27-M30 HydrophobicContact CG-CE 4.33Å; E28-M30 VanDerWaalsContact C-N 3.29Å; E28-M30 PolarHBondContact O-N 3.17Å; M30-A32 VanDerWaalsContact C-N 3.3Å; M30-A32 PolarHBondContact O-N 2.88Å; M30-L33 PolarHBondContact O-N 2.93Å; M30-E34 WeakPolarHBondContact O-CB 3.5Å; M30-E34 PolarHBondContact O-N 3.48Å; M30-Q106 HydrophobicContact SD-CG 4.14Å; M30-Q106 PolarHBondContact SD-NE2 3.21Å; M30-Q106 VanDerWaalsContact SD-NE2 3.42Å |
| 31 | K | 75.4 | Confident | 68.3 | Low | 100 Ų | 100 | 77.6 Ų | 77.6 | 44% | 0.435 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 175.8 | -76.7 | 172.9 | -175.2 | 163.3 | 0 | 111.6 | E27 E28 E34 A35 | E27-K31 VanDerWaalsContact O-CG 3.32Å; E27-K31 WeakPolarHBondContact O-CG 3.28Å; E27-K31 PolarHBondContact O-N 2.85Å; E27-K31 WeakPolarHBondContact OE1-CE 3.27Å; E27-K31 IonicContact OE1-NZ 2.67Å; E27-K31 PolarHBondContact OE1-NZ 2.98Å; E28-K31 PolarHBondContact O-N 3.4Å; E28-K31 VanDerWaalsContact O-N 3.17Å; K31-E34 PolarHBondContact O-N 3.18Å; K31-A35 WeakPolarHBondContact O-CB 3.3Å; K31-A35 PolarHBondContact O-N 3.37Å |
| 32 | A | 75 | Confident | 68.3 | Low | 56 Ų | 56 | 80 Ų | 80 | 46% | 0.463 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E28 E29 M30 A35 D36 | E28-A32 PolarHBondContact O-N 2.9Å; E29-A32 PolarHBondContact O-N 3.12Å; M30-A32 VanDerWaalsContact C-N 3.3Å; M30-A32 PolarHBondContact O-N 2.88Å; A32-A35 PolarHBondContact O-N 2.96Å; A32-D36 WeakPolarHBondContact O-CB 3.22Å; A32-D36 PolarHBondContact O-N 3.17Å |
| 33 | L | 71.4 | Confident | 68.3 | Low | 119 Ų | 119 | 79.1 Ų | 79.1 | 62% | 0.623 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.8 | -39.1 | 174.4 | -73.4 | 170.2 | 0 | 0 | 0 | 112.7 | E29 M30 A35 D36 L37 | E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 3.4Å; M30-L33 PolarHBondContact O-N 2.93Å; L33-A35 VanDerWaalsContact C-N 3.35Å; L33-D36 PolarHBondContact O-N 2.83Å; L33-L37 VanDerWaalsContact O-CB 3.26Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 PolarHBondContact O-N 2.83Å |
| 34 | E | 72.4 | Confident | 68.3 | Low | 46 Ų | 46 | 76.8 Ų | 76.8 | 22% | 0.215 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 172.8 | -175.2 | -178.6 | 165.1 | 0 | 0 | 110.3 | M30 K31 L37 L38 K109 | M30-E34 WeakPolarHBondContact O-CB 3.5Å; M30-E34 PolarHBondContact O-N 3.48Å; K31-E34 PolarHBondContact O-N 3.18Å; E34-L37 PolarHBondContact O-N 3.4Å; E34-L38 HydrophobicContact CG-CD1 4.18Å; E34-L38 WeakPolarHBondContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 2.81Å; E34-K109 IonicContact OE1-NZ 3.78Å; E34-K109 IonicContact OE2-NZ 2.76Å; E34-K109 PolarHBondContact OE2-NZ 2.96Å |
| 35 | A | 77.4 | Confident | 67.8 | Low | 48 Ų | 48 | 83.8 Ų | 83.8 | 40% | 0.397 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K31 A32 L33 L38 T39 | K31-A35 WeakPolarHBondContact O-CB 3.3Å; K31-A35 PolarHBondContact O-N 3.37Å; A32-A35 PolarHBondContact O-N 2.96Å; L33-A35 VanDerWaalsContact C-N 3.35Å; A35-L38 PolarHBondContact O-N 3.33Å; A35-T39 VanDerWaalsContact O-CB 3.32Å; A35-T39 WeakPolarHBondContact O-CB 3.32Å; A35-T39 WeakPolarHBondContact O-CG2 3.22Å; A35-T39 PolarHBondContact O-N 2.94Å; A35-T39 PolarHBondContact O-OG1 2.84Å |
| 36 | D | 73.9 | Confident | 67.4 | Low | 103 Ų | 103 | 83.1 Ų | 83.1 | 55% | 0.551 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.6 | -39.1 | 177.8 | -166.2 | 47.8 | 0 | 0 | 0 | 111.7 | A32 L33 T39 S40 | A32-D36 WeakPolarHBondContact O-CB 3.22Å; A32-D36 PolarHBondContact O-N 3.17Å; L33-D36 PolarHBondContact O-N 2.83Å; D36-T39 VanDerWaalsContact CA-OG1 3.29Å; D36-T39 WeakPolarHBondContact CA-OG1 3.43Å; D36-T39 PolarHBondContact O-N 3.35Å; D36-T39 PolarHBondContact O-OG1 2.9Å; D36-T39 VanDerWaalsContact O-OG1 3.06Å; D36-S40 WeakPolarHBondContact O-CB 3.44Å; D36-S40 PolarHBondContact O-N 3.46Å; D36-S40 PolarHBondContact O-OG 2.86Å |
| 37 | L | 72.5 | Confident | 66.7 | Low | 74 Ų | 74 | 83.1 Ų | 83.1 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 171 | -170.9 | 115.5 | 0 | 0 | 0 | 110.3 | L33 E34 T39 S40 M41 | L33-L37 VanDerWaalsContact O-CB 3.26Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 PolarHBondContact O-N 2.83Å; E34-L37 PolarHBondContact O-N 3.4Å; L37-T39 PolarHBondContact O-N 3.5Å; L37-S40 WeakPolarHBondContact CA-OG 3.21Å; L37-S40 PolarHBondContact O-N 3.48Å; L37-S40 PolarHBondContact O-OG 2.8Å; L37-M41 HydrophobicContact CD2-CE 3.32Å; L37-M41 HydrophobicContact CD2-SD 4.28Å; L37-M41 HydrophobicContact CG-CE 3.89Å; L37-M41 WeakPolarHBondContact O-CB 3.26Å; L37-M41 WeakPolarHBondContact O-CE 3.39Å; L37-M41 WeakPolarHBondContact O-CG 3.46Å; L37-M41 PolarHBondContact O-N 2.87Å |
| 38 | L | 71.1 | Confident | 66 | Low | 40 Ų | 40 | 88.8 Ų | 88.8 | 21% | 0.209 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60 | -44.5 | 177.1 | -71.2 | 173.2 | 0 | 0 | 0 | 112.3 | E34 A35 M41 H42 A115 W119 | E34-L38 HydrophobicContact CG-CD1 4.18Å; E34-L38 WeakPolarHBondContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 2.81Å; A35-L38 PolarHBondContact O-N 3.33Å; L38-M41 HydrophobicContact CD2-CE 3.65Å; L38-M41 HydrophobicContact CG-CE 4.3Å; L38-M41 WeakPolarHBondContact O-CB 3.45Å; L38-M41 PolarHBondContact O-N 3.42Å; L38-H42 PolarHBondContact O-CD2 3.38Å; L38-H42 PolarHBondContact O-N 3.27Å; L38-A115 HydrophobicContact CD2-CB 3.68Å; L38-W119 HydrophobicContact CD2-CH2 4.37Å |
| 39 | T | 72.4 | Confident | 65.1 | Low | 70 Ų | 70 | 87.5 Ų | 87.5 | 43% | 0.429 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.3 | -38.8 | 179.8 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | A35 D36 L37 M41 H42 T43 | A35-T39 VanDerWaalsContact O-CB 3.32Å; A35-T39 WeakPolarHBondContact O-CB 3.32Å; A35-T39 WeakPolarHBondContact O-CG2 3.22Å; A35-T39 PolarHBondContact O-N 2.94Å; A35-T39 PolarHBondContact O-OG1 2.84Å; D36-T39 VanDerWaalsContact CA-OG1 3.29Å; D36-T39 WeakPolarHBondContact CA-OG1 3.43Å; D36-T39 PolarHBondContact O-N 3.35Å; D36-T39 PolarHBondContact O-OG1 2.9Å; D36-T39 VanDerWaalsContact O-OG1 3.06Å; L37-T39 PolarHBondContact O-N 3.5Å; T39-M41 VanDerWaalsContact C-N 3.28Å; T39-M41 PolarHBondContact O-N 3.48Å; T39-H42 PolarHBondContact O-N 3.01Å; T39-T43 WeakPolarHBondContact O-CB 3.31Å; T39-T43 VanDerWaalsContact O-CG2 3.26Å; T39-T43 WeakPolarHBondContact O-CG2 3.49Å; T39-T43 PolarHBondContact O-N 2.67Å; T39-T43 PolarHBondContact O-OG1 3.33Å |
| 40 | S | 64.9 | Low | 64.4 | Low | 54 Ų | 54 | 88.4 Ų | 88.4 | 38% | 0.378 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 171.7 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | D36 L37 T43 S44 | D36-S40 WeakPolarHBondContact O-CB 3.44Å; D36-S40 PolarHBondContact O-N 3.46Å; D36-S40 PolarHBondContact O-OG 2.86Å; L37-S40 WeakPolarHBondContact CA-OG 3.21Å; L37-S40 PolarHBondContact O-N 3.48Å; L37-S40 PolarHBondContact O-OG 2.8Å; S40-T43 WeakPolarHBondContact CA-OG1 3.4Å; S40-T43 PolarHBondContact O-OG1 2.89Å; S40-S44 VanDerWaalsContact O-CB 3.22Å; S40-S44 WeakPolarHBondContact O-CB 3.49Å; S40-S44 PolarHBondContact O-N 2.91Å |
| 41 | M | 64.5 | Low | 63.9 | Low | 7 Ų | 7 | 87.8 Ų | 87.8 | 3% | 0.034 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 172.1 | -68.6 | -169.3 | -76.7 | 0 | 0 | 112.4 | L37 L38 T39 S44 W54 W119 | L37-M41 HydrophobicContact CD2-CE 3.32Å; L37-M41 HydrophobicContact CD2-SD 4.28Å; L37-M41 HydrophobicContact CG-CE 3.89Å; L37-M41 WeakPolarHBondContact O-CB 3.26Å; L37-M41 WeakPolarHBondContact O-CE 3.39Å; L37-M41 WeakPolarHBondContact O-CG 3.46Å; L37-M41 PolarHBondContact O-N 2.87Å; L38-M41 HydrophobicContact CD2-CE 3.65Å; L38-M41 HydrophobicContact CG-CE 4.3Å; L38-M41 WeakPolarHBondContact O-CB 3.45Å; L38-M41 PolarHBondContact O-N 3.42Å; T39-M41 VanDerWaalsContact C-N 3.28Å; T39-M41 PolarHBondContact O-N 3.48Å; M41-S44 PolarHBondContact O-OG 3.08Å; M41-W54 HydrophobicContact CB-CH2 4.02Å; M41-W54 HydrophobicContact CG-CH2 3.23Å; M41-W54 HydrophobicContact CG-CZ2 3.88Å; M41-W54 HydrophobicContact CG-CZ3 3.82Å; M41-W54 HydrophobicContact SD-CH2 3.34Å; M41-W54 WeakPolarHBondContact SD-CH2 3.14Å; M41-W54 HydrophobicContact SD-CZ2 4.49Å; M41-W54 HydrophobicContact SD-CZ3 3.37Å; M41-W54 WeakPolarHBondContact SD-CZ3 3.32Å; M41-W119 HydrophobicContact CB-CH2 3.35Å; M41-W119 HydrophobicContact CB-CZ2 3.67Å; M41-W119 HydrophobicContact CB-CZ3 4.18Å; M41-W119 HydrophobicContact CE-CH2 3.42Å; M41-W119 VanDerWaalsContact CE-CH2 3.42Å; M41-W119 HydrophobicContact CE-CZ3 3.48Å; M41-W119 VanDerWaalsContact CE-CZ3 3.48Å; M41-W119 HydrophobicContact CG-CH2 3.93Å; M41-W119 HydrophobicContact CG-CZ3 4.32Å; M41-W119 HydrophobicContact SD-CE3 4.21Å; M41-W119 HydrophobicContact SD-CH2 3.37Å; M41-W119 WeakPolarHBondContact SD-CH2 3.22Å; M41-W119 HydrophobicContact SD-CZ2 4.44Å; M41-W119 HydrophobicContact SD-CZ3 3.19Å; M41-W119 WeakPolarHBondContact SD-CZ3 3.48Å |
| 42 | H | 61.3 | Low | 63.5 | Low | 127 Ų | 127 | 84.3 Ų | 84.3 | 59% | 0.588 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.8 | -35 | 176.8 | -77.2 | -66.2 | 0 | 0 | 0 | 113.5 | L38 T39 | L38-H42 PolarHBondContact O-CD2 3.38Å; L38-H42 PolarHBondContact O-N 3.27Å; T39-H42 PolarHBondContact O-N 3.01Å |
| 43 | T | 59.4 | Low | 63.1 | Low | 108 Ų | 108 | 85.8 Ų | 85.8 | 66% | 0.663 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -90.5 | -15.4 | -178.2 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | T39 S40 K45 | T39-T43 WeakPolarHBondContact O-CB 3.31Å; T39-T43 VanDerWaalsContact O-CG2 3.26Å; T39-T43 WeakPolarHBondContact O-CG2 3.49Å; T39-T43 PolarHBondContact O-N 2.67Å; T39-T43 PolarHBondContact O-OG1 3.33Å; S40-T43 WeakPolarHBondContact CA-OG1 3.4Å; S40-T43 PolarHBondContact O-OG1 2.89Å; T43-K45 VanDerWaalsContact C-N 3.35Å; T43-K45 PolarHBondContact O-N 2.91Å |
| 44 | S | 57.1 | Low | 63.1 | Low | 36 Ų | 36 | 84.6 Ų | 84.6 | 25% | 0.252 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -58.2 | 102.6 | 168.3 | 73 | 0 | 0 | 0 | 0 | 107.8 | S40 M41 I46 | S40-S44 VanDerWaalsContact O-CB 3.22Å; S40-S44 WeakPolarHBondContact O-CB 3.49Å; S40-S44 PolarHBondContact O-N 2.91Å; M41-S44 PolarHBondContact O-OG 3.08Å; S44-I46 VanDerWaalsContact C-N 3.26Å; S44-I46 PolarHBondContact O-N 3.5Å |
| 45 | K | 48.6 | Very low | 63.2 | Low | 205 Ų | 205 | 83.5 Ų | 83.5 | 89% | 0.891 | 46% | 0.456 | S | S | * | . | trans | -63.3 | 94.1 | 178.7 | -154.5 | 176.9 | -170 | 175 | 0 | 105.9 | T43 S47 | T43-K45 VanDerWaalsContact C-N 3.35Å; T43-K45 PolarHBondContact O-N 2.91Å; K45-S47 VanDerWaalsContact C-N 3.31Å; K45-S47 PolarHBondContact O-N 3.38Å | ||
| 46 | I | 54.8 | Low | 62.9 | Low | 86 Ų | 86 | 85 Ų | 85 | 44% | 0.441 | 46% | 0.456 | S | S | . | . | trans | -59.6 | 100.1 | 178.7 | -72.4 | 144.4 | 0 | 0 | 0 | 106.1 | S44 K48 K55 | S44-I46 VanDerWaalsContact C-N 3.26Å; S44-I46 PolarHBondContact O-N 3.5Å; I46-K48 PolarHBondContact O-N 3.3Å; I46-K55 VanDerWaalsContact CD1-NZ 3.28Å | ||
| 47 | S | 48.3 | Very low | 63.2 | Low | 71 Ų | 71 | 84.2 Ų | 84.2 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | trans | -54.7 | 112 | 160.1 | 150.2 | 0 | 0 | 0 | 0 | 105.3 | K45 A49 H50 | K45-S47 VanDerWaalsContact C-N 3.31Å; K45-S47 PolarHBondContact O-N 3.38Å; S47-A49 PolarHBondContact O-N 2.99Å; S47-A49 PolarHBondContact OG-N 2.75Å; S47-H50 PolarHBondContact O-N 3.13Å | ||
| 48 | K | 54 | Low | 63.6 | Low | 213 Ų | 213 | 82.3 Ų | 82.3 | 93% | 0.926 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -9.3 | 177.5 | -69 | -174 | 173.9 | -169.4 | 0 | 113.4 | I46 | I46-K48 PolarHBondContact O-N 3.3Š|
| 49 | A | 53.5 | Low | 63.9 | Low | 91 Ų | 91 | 81.8 Ų | 81.8 | 75% | 0.752 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -16 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | S47 | S47-A49 PolarHBondContact O-N 2.99Å; S47-A49 PolarHBondContact OG-N 2.75Å |
| 50 | H | 55.3 | Low | 64.3 | Low | 136 Ų | 136 | 83.2 Ų | 83.2 | 63% | 0.63 | 45% | 0.448 | S | S | * | . | trans | -153.3 | 115.7 | -177.7 | -161.8 | -81.7 | 0 | 0 | 0 | 111.5 | S47 P52 | S47-H50 PolarHBondContact O-N 3.13Å; H50-P52 WeakPolarHBondContact O-CD 3.44Å | ||
| 51 | V | 59.3 | Low | 65.2 | Low | 53 Ų | 53 | 83.2 Ų | 83.2 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | trans | -60.1 | 126.7 | 168.5 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | S53 K55 | V51-S53 PolarHBondContact O-N 2.79Å; V51-K55 HydrophobicContact CG1-CB 3.98Å; V51-K55 HydrophobicContact CG1-CD 4.16Å | ||
| 52 | P | 66.3 | Low | 66.1 | Low | 27 Ų | 27 | 83 Ų | 83 | 18% | 0.175 | 45% | 0.445 | C | S | . | . | trans | -55.8 | 131.7 | 177.6 | -25 | 31.9 | 0 | 0 | 0 | 110.9 | H50 W54 K55 | H50-P52 WeakPolarHBondContact O-CD 3.44Å; P52-W54 VanDerWaalsContact CB-CD1 3.46Å; P52-W54 HydrophobicContact CB-CD2 4.41Å; P52-W54 HydrophobicContact CB-CG 4.22Å; P52-W54 HydrophobicContact CB-CZ2 4.37Å; P52-W54 PolarHBondContact O-N 3.47Å; P52-W54 VanDerWaalsContact O-N 3.14Å; P52-K55 HydrophobicContact CB-CG 4.18Å; P52-K55 HydrophobicContact CG-CD 4.21Å; P52-K55 HydrophobicContact CG-CG 4.38Å; P52-K55 VanDerWaalsContact O-CB 3.3Å; P52-K55 WeakPolarHBondContact O-CB 3.49Å; P52-K55 PolarHBondContact O-N 2.82Å | ||
| 53 | S | 66.5 | Low | 67 | Low | 87 Ų | 87 | 79.8 Ų | 79.8 | 61% | 0.608 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.2 | -34 | -175.1 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | V51 K55 M56 T57 | V51-S53 PolarHBondContact O-N 2.79Å; S53-K55 PolarHBondContact O-N 3.43Å; S53-M56 PolarHBondContact O-N 2.8Å; S53-T57 PolarHBondContact O-N 2.86Å; S53-T57 PolarHBondContact O-OG1 3.29Å |
| 54 | W | 71.4 | Confident | 68.1 | Low | 94 Ų | 94 | 79 Ų | 79 | 36% | 0.356 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.3 | -27.8 | 175.9 | 67.8 | -102.2 | 0 | 0 | 0 | 113 | M41 P52 T57 L58 | M41-W54 HydrophobicContact CB-CH2 4.02Å; M41-W54 HydrophobicContact CG-CH2 3.23Å; M41-W54 HydrophobicContact CG-CZ2 3.88Å; M41-W54 HydrophobicContact CG-CZ3 3.82Å; M41-W54 HydrophobicContact SD-CH2 3.34Å; M41-W54 WeakPolarHBondContact SD-CH2 3.14Å; M41-W54 HydrophobicContact SD-CZ2 4.49Å; M41-W54 HydrophobicContact SD-CZ3 3.37Å; M41-W54 WeakPolarHBondContact SD-CZ3 3.32Å; P52-W54 VanDerWaalsContact CB-CD1 3.46Å; P52-W54 HydrophobicContact CB-CD2 4.41Å; P52-W54 HydrophobicContact CB-CG 4.22Å; P52-W54 HydrophobicContact CB-CZ2 4.37Å; P52-W54 PolarHBondContact O-N 3.47Å; P52-W54 VanDerWaalsContact O-N 3.14Å; W54-T57 WeakPolarHBondContact O-CB 3.26Å; W54-T57 PolarHBondContact O-N 2.79Å; W54-L58 HydrophobicContact CE3-CD1 4.15Å; W54-L58 HydrophobicContact CZ3-CD1 4.03Å; W54-L58 WeakPolarHBondContact O-CB 3.35Å; W54-L58 PolarHBondContact O-N 3.23Å |
| 55 | K | 73.6 | Confident | 69.4 | Low | 23 Ų | 23 | 77.6 Ų | 77.6 | 10% | 0.1 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 177.9 | -69.8 | -167.9 | -176.1 | -174.5 | 0 | 111.5 | I46 V51 P52 S53 T57 L58 L59 | I46-K55 VanDerWaalsContact CD1-NZ 3.28Å; V51-K55 HydrophobicContact CG1-CB 3.98Å; V51-K55 HydrophobicContact CG1-CD 4.16Å; P52-K55 HydrophobicContact CB-CG 4.18Å; P52-K55 HydrophobicContact CG-CD 4.21Å; P52-K55 HydrophobicContact CG-CG 4.38Å; P52-K55 VanDerWaalsContact O-CB 3.3Å; P52-K55 WeakPolarHBondContact O-CB 3.49Å; P52-K55 PolarHBondContact O-N 2.82Å; S53-K55 PolarHBondContact O-N 3.43Å; K55-T57 VanDerWaalsContact C-N 3.29Å; K55-T57 PolarHBondContact O-N 2.85Å; K55-L58 PolarHBondContact O-N 2.94Å; K55-L59 PolarHBondContact O-N 3.06Å |
| 56 | M | 72.2 | Confident | 70.8 | Confident | 80 Ų | 80 | 71 Ų | 71 | 39% | 0.394 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 175.5 | -66.3 | -56.1 | -62 | 0 | 0 | 110.9 | S53 L58 N60 Q123 | S53-M56 PolarHBondContact O-N 2.8Å; M56-L58 VanDerWaalsContact C-N 3.34Å; M56-L58 PolarHBondContact O-N 3.42Å; M56-N60 WeakPolarHBondContact O-CB 3.22Å; M56-N60 PolarHBondContact O-N 3.42Å; M56-N60 PolarHBondContact O-ND2 3.48Å; M56-N60 VanDerWaalsContact O-ND2 3.07Å; M56-Q123 PolarHBondContact SD-NE2 3.42Å |
| 57 | T | 80.1 | Confident | 71.7 | Confident | 87 Ų | 87 | 72.1 Ų | 72.1 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.2 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | S53 W54 K55 N60 V61 | S53-T57 PolarHBondContact O-N 2.86Å; S53-T57 PolarHBondContact O-OG1 3.29Å; W54-T57 WeakPolarHBondContact O-CB 3.26Å; W54-T57 PolarHBondContact O-N 2.79Å; K55-T57 VanDerWaalsContact C-N 3.29Å; K55-T57 PolarHBondContact O-N 2.85Å; T57-N60 PolarHBondContact O-N 2.83Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.21Å; T57-V61 PolarHBondContact O-N 3.43Å |
| 58 | L | 80.4 | Confident | 72.7 | Confident | 33 Ų | 33 | 72.5 Ų | 72.5 | 17% | 0.173 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.3 | -42.3 | -179.5 | -148.1 | 157.1 | 0 | 0 | 0 | 111.7 | W54 K55 M56 N60 V61 C62 F116 | W54-L58 HydrophobicContact CE3-CD1 4.15Å; W54-L58 HydrophobicContact CZ3-CD1 4.03Å; W54-L58 WeakPolarHBondContact O-CB 3.35Å; W54-L58 PolarHBondContact O-N 3.23Å; K55-L58 PolarHBondContact O-N 2.94Å; M56-L58 VanDerWaalsContact C-N 3.34Å; M56-L58 PolarHBondContact O-N 3.42Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 2.93Å; L58-V61 PolarHBondContact O-N 3.14Å; L58-C62 WeakPolarHBondContact CD2-SG 3.44Å; L58-C62 WeakPolarHBondContact O-CB 3.37Å; L58-C62 PolarHBondContact O-N 2.87Å; L58-C62 PolarHBondContact O-SG 3.2Å; L58-C62 VanDerWaalsContact O-SG 3.37Å; L58-F116 HydrophobicContact CB-CE2 4.27Å; L58-F116 HydrophobicContact CD2-CD2 3.74Å; L58-F116 HydrophobicContact CD2-CE2 3.17Å; L58-F116 HydrophobicContact CD2-CZ 3.6Å; L58-F116 HydrophobicContact CG-CE2 4.19Å |
| 59 | L | 78.1 | Confident | 73.2 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 172.5 | -76.3 | 164.9 | 0 | 0 | 0 | 112.5 | K55 V61 C62 S63 F116 | K55-L59 PolarHBondContact O-N 3.06Å; L59-V61 VanDerWaalsContact C-N 3.34Å; L59-V61 PolarHBondContact O-N 3.3Å; L59-C62 PolarHBondContact O-N 3.3Å; L59-S63 WeakPolarHBondContact O-CB 3.46Å; L59-S63 PolarHBondContact O-N 2.76Å; L59-S63 PolarHBondContact O-OG 3.21Å; L59-F116 HydrophobicContact CB-CZ 4.36Å; L59-F116 HydrophobicContact CD2-CE1 3.67Å; L59-F116 HydrophobicContact CD2-CE2 4.28Å; L59-F116 HydrophobicContact CD2-CZ 3.37Å; L59-F116 HydrophobicContact CG-CE1 4.49Å; L59-F116 HydrophobicContact CG-CE2 4.41Å; L59-F116 HydrophobicContact CG-CZ 3.72Å |
| 60 | N | 81.3 | Confident | 73.6 | Confident | 100 Ų | 100 | 65.6 Ų | 65.6 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 176.5 | -69.3 | -27.4 | 0 | 0 | 0 | 112.4 | M56 T57 L58 S63 L64 | M56-N60 WeakPolarHBondContact O-CB 3.22Å; M56-N60 PolarHBondContact O-N 3.42Å; M56-N60 PolarHBondContact O-ND2 3.48Å; M56-N60 VanDerWaalsContact O-ND2 3.07Å; T57-N60 PolarHBondContact O-N 2.83Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 2.93Å; N60-S63 PolarHBondContact O-OG 3.11Å; N60-L64 WeakPolarHBondContact O-CB 3.37Å; N60-L64 PolarHBondContact O-N 3.2Å; N60-L64 VanDerWaalsContact O-N 3.15Å |
| 61 | V | 84.1 | Confident | 73.1 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 32% | 0.321 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.8 | -42.7 | 175.2 | 171 | 0 | 0 | 0 | 0 | 110.5 | T57 L58 L59 L64 V65 L107 | T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.21Å; T57-V61 PolarHBondContact O-N 3.43Å; L58-V61 PolarHBondContact O-N 3.14Å; L59-V61 VanDerWaalsContact C-N 3.34Å; L59-V61 PolarHBondContact O-N 3.3Å; V61-L64 WeakPolarHBondContact O-CB 3.46Å; V61-L64 PolarHBondContact O-N 2.89Å; V61-V65 HydrophobicContact CG1-CG2 4.28Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.15Å; V61-V65 PolarHBondContact O-N 3.09Å; V61-L107 HydrophobicContact CG1-CD1 4.28Å |
| 62 | C | 83.4 | Confident | 72.4 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.027 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 179.2 | -73.1 | 0 | 0 | 0 | 0 | 113.3 | L58 L59 L64 V65 N66 C111 F116 | L58-C62 WeakPolarHBondContact CD2-SG 3.44Å; L58-C62 WeakPolarHBondContact O-CB 3.37Å; L58-C62 PolarHBondContact O-N 2.87Å; L58-C62 PolarHBondContact O-SG 3.2Å; L58-C62 VanDerWaalsContact O-SG 3.37Å; L59-C62 PolarHBondContact O-N 3.3Å; C62-L64 VanDerWaalsContact C-N 3.32Å; C62-L64 PolarHBondContact O-N 3.29Å; C62-V65 PolarHBondContact O-N 3.34Å; C62-N66 VanDerWaalsContact O-CB 3.32Å; C62-N66 WeakPolarHBondContact O-CB 3.34Å; C62-N66 PolarHBondContact O-N 3.33Å; C62-N66 PolarHBondContact O-ND2 2.86Å; C62-C111 WeakPolarHBondContact CA-SG 3.5Å; C62-C111 HydrophobicContact CB-CB 3.55Å; C62-C111 WeakPolarHBondContact CB-SG 3.42Å; C62-C111 WeakPolarHBondContact SG-CA 3.19Å; C62-C111 WeakPolarHBondContact SG-CB 3.37Å; C62-C111 CovalentContact SG-SG 2.03Å; C62-C111 PolarHBondContact SG-SG 2.89Å; C62-F116 HydrophobicContact CB-CE1 3.69Å; C62-F116 HydrophobicContact CB-CZ 4.06Å |
| 63 | S | 80 | Confident | 71.1 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 172.5 | 70.8 | 0 | 0 | 0 | 0 | 110.7 | L59 N60 N67 | L59-S63 WeakPolarHBondContact O-CB 3.46Å; L59-S63 PolarHBondContact O-N 2.76Å; L59-S63 PolarHBondContact O-OG 3.21Å; N60-S63 PolarHBondContact O-OG 3.11Å; S63-N67 WeakPolarHBondContact O-CB 3.49Å; S63-N67 PolarHBondContact O-N 3.49Å; S63-N67 PolarHBondContact O-ND2 3.23Å |
| 64 | L | 82.6 | Confident | 70 | Confident | 93 Ų | 93 | 77.2 Ų | 77.2 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 176 | -175.9 | 69.1 | 0 | 0 | 0 | 112 | N60 V61 C62 N66 N67 L68 | N60-L64 WeakPolarHBondContact O-CB 3.37Å; N60-L64 PolarHBondContact O-N 3.2Å; N60-L64 VanDerWaalsContact O-N 3.15Å; V61-L64 WeakPolarHBondContact O-CB 3.46Å; V61-L64 PolarHBondContact O-N 2.89Å; C62-L64 VanDerWaalsContact C-N 3.32Å; C62-L64 PolarHBondContact O-N 3.29Å; L64-N66 PolarHBondContact O-N 3.17Å; L64-N67 PolarHBondContact O-N 2.03Å; L64-L68 HydrophobicContact CG-CD1 4.42Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.27Å |
| 65 | V | 82.8 | Confident | 68.3 | Low | 6 Ų | 6 | 79.8 Ų | 79.8 | 4% | 0.036 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | -179 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | V61 C62 N67 L68 N69 I104 L107 H108 | V61-V65 HydrophobicContact CG1-CG2 4.28Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.15Å; V61-V65 PolarHBondContact O-N 3.09Å; C62-V65 PolarHBondContact O-N 3.34Å; V65-N67 VanDerWaalsContact C-N 3.34Å; V65-N67 PolarHBondContact O-N 2.92Å; V65-L68 PolarHBondContact O-N 3.37Å; V65-N69 PolarHBondContact O-N 3.32Å; V65-I104 HydrophobicContact CG1-CG2 4.4Å; V65-L107 HydrophobicContact CG2-CB 4.29Å; V65-H108 HydrophobicContact CG1-CB 3.8Å |
| 66 | N | 77.8 | Confident | 66.1 | Low | 65 Ų | 65 | 82.3 Ų | 82.3 | 35% | 0.348 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 176.1 | -69.9 | -12.7 | 0 | 0 | 0 | 111.8 | C62 L64 L68 N69 S70 H112 | C62-N66 VanDerWaalsContact O-CB 3.32Å; C62-N66 WeakPolarHBondContact O-CB 3.34Å; C62-N66 PolarHBondContact O-N 3.33Å; C62-N66 PolarHBondContact O-ND2 2.86Å; L64-N66 PolarHBondContact O-N 3.17Å; N66-L68 VanDerWaalsContact C-N 3.33Å; N66-L68 PolarHBondContact O-N 3.07Å; N66-N69 PolarHBondContact O-N 3.01Å; N66-S70 PolarHBondContact O-N 3.37Å; N66-H112 PolarHBondContact OD1-CE1 2.71Å; N66-H112 VanDerWaalsContact OD1-CE1 3.25Å |
| 67 | N | 74.2 | Confident | 64.2 | Low | 110 Ų | 110 | 87.3 Ų | 87.3 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.7 | -31.1 | 175.3 | -80.8 | -66.8 | 0 | 0 | 0 | 113.1 | S63 L64 V65 N69 | S63-N67 WeakPolarHBondContact O-CB 3.49Å; S63-N67 PolarHBondContact O-N 3.49Å; S63-N67 PolarHBondContact O-ND2 3.23Å; L64-N67 PolarHBondContact O-N 2.03Å; V65-N67 VanDerWaalsContact C-N 3.34Å; V65-N67 PolarHBondContact O-N 2.92Å; N67-N69 VanDerWaalsContact C-N 3.32Å |
| 68 | L | 69.8 | Low | 62 | Low | 80 Ų | 80 | 89.5 Ų | 89.5 | 42% | 0.419 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.2 | -29.9 | 176.1 | -71.7 | 170 | 0 | 0 | 0 | 112.4 | L64 V65 N66 L89 | L64-L68 HydrophobicContact CG-CD1 4.42Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.27Å; V65-L68 PolarHBondContact O-N 3.37Å; N66-L68 VanDerWaalsContact C-N 3.33Å; N66-L68 PolarHBondContact O-N 3.07Å; L68-L89 HydrophobicContact CD2-CB 4.5Å; L68-L89 HydrophobicContact CD2-CD2 4.47Å |
| 69 | N | 64.9 | Low | 59.6 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 43% | 0.433 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -92.4 | -9.9 | -179.3 | -77.1 | -10.7 | 0 | 0 | 0 | 114.1 | V65 N66 N67 P71 H108 | V65-N69 PolarHBondContact O-N 3.32Å; N66-N69 PolarHBondContact O-N 3.01Å; N67-N69 VanDerWaalsContact C-N 3.32Å; N69-P71 VanDerWaalsContact O-CD 3.24Å; N69-P71 WeakPolarHBondContact O-CD 3.3Å; N69-H108 PolarHBondContact ND2-CD2 2.91Å; N69-H108 PolarHBondContact ND2-NE2 3.42Å |
| 70 | S | 61.3 | Low | 57.7 | Low | 78 Ų | 78 | 101.7 Ų | 101.7 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -66.3 | 115.2 | 171 | -173.3 | 0 | 0 | 0 | 0 | 108 | N66 A72 | N66-S70 PolarHBondContact O-N 3.37Å; S70-A72 PolarHBondContact O-N 3.23Å |
| 71 | P | 44 | Very low | 55.6 | Low | 94 Ų | 94 | 104.7 Ų | 104.7 | 61% | 0.61 | 59% | 0.586 | S | S | * | * | trans | -55.7 | 136.6 | 170.4 | 25.7 | -32.3 | 0 | 0 | 0 | 107.1 | N69 E73 | N69-P71 VanDerWaalsContact O-CD 3.24Å; N69-P71 WeakPolarHBondContact O-CD 3.3Å; P71-E73 PolarHBondContact O-N 2.96Å | ||
| 72 | A | 45.4 | Very low | 53.2 | Low | 100 Ų | 100 | 110.3 Ų | 110.3 | 83% | 0.826 | 61% | 0.609 | S | S | * | * | trans | -61.6 | 88.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | S70 E74 | S70-A72 PolarHBondContact O-N 3.23Å; A72-E74 PolarHBondContact O-N 3.48Å | ||
| 73 | E | 39.9 | Very low | 51.1 | Low | 183 Ų | 183 | 115.8 Ų | 115.8 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | trans | -67.7 | 113.7 | 165.4 | -79 | -170.5 | 161.6 | 0 | 0 | 107.4 | P71 | P71-E73 PolarHBondContact O-N 2.96Š| ||
| 74 | E | 43 | Very low | 49.1 | Very low | 170 Ų | 170 | 120.8 Ų | 120.8 | 79% | 0.794 | 66% | 0.658 | S | S | * | * | trans | -56.6 | 152.1 | 166.5 | -69.2 | 177 | 135.9 | 0 | 0 | 110.8 | A72 | A72-E74 PolarHBondContact O-N 3.48Š| ||
| 75 | T | 34.9 | Very low | 46.9 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 91% | 0.908 | 67% | 0.674 | S | S | * | * | trans | 69.2 | 109.1 | 158.6 | 37.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 76 | G | 28.8 | Very low | 44.9 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | trans | 151.2 | 87.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 77 | E | 30.4 | Very low | 43.2 | Very low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | 34.9 | 118.8 | 147.9 | -63.2 | -173.9 | 167.9 | 0 | 0 | 122.2 | ||||
| 78 | V | 35 | Very low | 41.7 | Very low | 133 Ų | 133 | 142 Ų | 142 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | trans | 61.3 | 105 | 133.8 | -172.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 79 | H | 29.9 | Very low | 40.3 | Very low | 150 Ų | 150 | 143 Ų | 143 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | -165.5 | 125.1 | 110.3 | -161 | 29 | 0 | 0 | 0 | 109.8 | E81 | H79-E81 VanDerWaalsContact C-N 3.29Å; H79-E81 PolarHBondContact O-N 3.01Å; H79-E81 VanDerWaalsContact O-N 3.15Å | |||
| 80 | E | 37.1 | Very low | 39.2 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 15.8 | -164.2 | -67.1 | -169.1 | 136.1 | 0 | 0 | 116 | ||
| 81 | E | 37.3 | Very low | 38.3 | Very low | 163 Ų | 163 | 147 Ų | 147 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -3.4 | -168.9 | -58.7 | -164.1 | 178.2 | 0 | 0 | 115.5 | H79 | H79-E81 VanDerWaalsContact C-N 3.29Å; H79-E81 PolarHBondContact O-N 3.01Å; H79-E81 VanDerWaalsContact O-N 3.15Å |
| 82 | Q | 34.8 | Very low | 38.3 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -118 | 27.5 | -178.6 | -147.2 | 172.8 | 18.8 | 0 | 0 | 114 | ||
| 83 | L | 38.1 | Very low | 38.4 | Very low | 119 Ų | 119 | 146 Ų | 146 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | trans | -86.6 | -3.2 | -173.3 | -70.8 | 170.5 | 0 | 0 | 0 | 114.9 | ||||
| 84 | I | 38.3 | Very low | 38.8 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -95.4 | -20.4 | -171.8 | -52.8 | 178.7 | 0 | 0 | 0 | 113.4 | ||
| 85 | T | 37.1 | Very low | 39.2 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -103 | -7.9 | 177.5 | -39.1 | 0 | 0 | 0 | 0 | 113.3 | R87 | T85-R87 PolarHBondContact O-N 3.15Š|
| 86 | R | 41.7 | Very low | 40.3 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 67% | 0.672 | 73% | 0.73 | S | S | * | * | trans | -83 | 62.5 | 174 | -158 | 176.5 | -168.6 | 171.5 | 3.7 | 109.7 | K88 | R86-K88 PolarHBondContact O-N 2.84Š| ||
| 87 | R | 40.7 | Very low | 42.6 | Very low | 233 Ų | 233 | 138 Ų | 138 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | trans | -62.6 | 93.1 | 161.3 | -99.6 | -174.9 | -171.7 | 156.5 | 3.8 | 106.3 | T85 L89 | T85-R87 PolarHBondContact O-N 3.15Å; R87-L89 PolarHBondContact O-N 3.46Å | ||
| 88 | K | 44.2 | Very low | 44.9 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -53.1 | 98.2 | 158.9 | -67.7 | -178 | 177.7 | -175.6 | 0 | 105.5 | R86 | R86-K88 PolarHBondContact O-N 2.84Š| ||
| 89 | L | 39 | Very low | 47 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 52% | 0.524 | 70% | 0.7 | S | S | . | * | trans | -59.3 | 126 | 166.3 | -173.1 | 69 | 0 | 0 | 0 | 104.9 | L68 R87 T91 | L68-L89 HydrophobicContact CD2-CB 4.5Å; L68-L89 HydrophobicContact CD2-CD2 4.47Å; R87-L89 PolarHBondContact O-N 3.46Å; L89-T91 PolarHBondContact O-N 3.34Å; L89-T91 VanDerWaalsContact O-N 3.13Å | ||
| 90 | P | 42.5 | Very low | 49.4 | Very low | 91 Ų | 91 | 130 Ų | 130 | 59% | 0.591 | 68% | 0.675 | S | S | * | * | trans | -54.9 | 126.7 | -168.9 | -23.4 | 31.6 | 0 | 0 | 0 | 110.1 | A92 | P90-A92 HydrophobicContact CB-CB 4.38Å; P90-A92 PolarHBondContact O-N 2.89Å | ||
| 91 | T | 42.9 | Very low | 51.5 | Low | 154 Ų | 154 | 128 Ų | 128 | 95% | 0.945 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -65.9 | 39.8 | 168.5 | -34.8 | 0 | 0 | 0 | 0 | 111.3 | L89 | L89-T91 PolarHBondContact O-N 3.34Å; L89-T91 VanDerWaalsContact O-N 3.13Å |
| 92 | A | 42.9 | Very low | 53.5 | Low | 75 Ų | 75 | 124.5 Ų | 124.5 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | trans | -139.6 | 62.6 | -177 | 0 | 0 | 0 | 0 | 0 | 108.3 | P90 | P90-A92 HydrophobicContact CB-CB 4.38Å; P90-A92 PolarHBondContact O-N 2.89Å | ||
| 93 | L | 47.6 | Very low | 55.8 | Low | 98 Ų | 98 | 119.1 Ų | 119.1 | 51% | 0.513 | 63% | 0.632 | S | S | . | * | trans | -125.5 | 79.6 | 154.8 | -121.6 | 99.1 | 0 | 0 | 0 | 107.5 | G95 F96 | L93-G95 PolarHBondContact O-N 3.4Å; L93-F96 HydrophobicContact CB-CD2 3.33Å; L93-F96 HydrophobicContact CB-CE2 3.2Å; L93-F96 HydrophobicContact CB-CG 4.13Å; L93-F96 HydrophobicContact CB-CZ 3.93Å; L93-F96 HydrophobicContact CD2-CD1 3.72Å; L93-F96 HydrophobicContact CD2-CD2 3.82Å; L93-F96 HydrophobicContact CD2-CE1 3.73Å; L93-F96 HydrophobicContact CD2-CE2 3.81Å; L93-F96 HydrophobicContact CD2-CG 3.76Å; L93-F96 HydrophobicContact CD2-CZ 3.76Å; L93-F96 HydrophobicContact CG-CD2 4.2Å; L93-F96 HydrophobicContact CG-CE2 4.02Å; L93-F96 HydrophobicContact CG-CZ 4.28Å; L93-F96 PolarHBondContact O-N 3.34Å | ||
| 94 | D | 48.5 | Very low | 57.9 | Low | 185 Ų | 185 | 115.7 Ų | 115.7 | 99% | 0.989 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 31.6 | 166.9 | -143.2 | 10 | 0 | 0 | 0 | 111.4 | ||
| 95 | G | 51.7 | Low | 59.9 | Low | 60 Ų | 60 | 115.9 Ų | 115.9 | 62% | 0.619 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.7 | 22.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L93 S97 | L93-G95 PolarHBondContact O-N 3.4Å; G95-S97 PolarHBondContact O-N 3.26Å |
| 96 | F | 58.7 | Low | 62 | Low | 99 Ų | 99 | 113.4 Ų | 113.4 | 43% | 0.434 | 59% | 0.585 | S | S | . | * | trans | -61.6 | 122.2 | 163 | -84.7 | -72.3 | 0 | 0 | 0 | 107.9 | L93 A100 | L93-F96 HydrophobicContact CB-CD2 3.33Å; L93-F96 HydrophobicContact CB-CE2 3.2Å; L93-F96 HydrophobicContact CB-CG 4.13Å; L93-F96 HydrophobicContact CB-CZ 3.93Å; L93-F96 HydrophobicContact CD2-CD1 3.72Å; L93-F96 HydrophobicContact CD2-CD2 3.82Å; L93-F96 HydrophobicContact CD2-CE1 3.73Å; L93-F96 HydrophobicContact CD2-CE2 3.81Å; L93-F96 HydrophobicContact CD2-CG 3.76Å; L93-F96 HydrophobicContact CD2-CZ 3.76Å; L93-F96 HydrophobicContact CG-CD2 4.2Å; L93-F96 HydrophobicContact CG-CE2 4.02Å; L93-F96 HydrophobicContact CG-CZ 4.28Å; L93-F96 PolarHBondContact O-N 3.34Å; F96-A100 HydrophobicContact CB-CB 4.38Å; F96-A100 HydrophobicContact CD1-CB 3.74Å | ||
| 97 | S | 77.1 | Confident | 63.9 | Low | 65 Ų | 65 | 108.1 Ų | 108.1 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | trans | -55.7 | 145.3 | 171.8 | 61 | 0 | 0 | 0 | 0 | 109 | G95 E99 A100 M101 | G95-S97 PolarHBondContact O-N 3.26Å; S97-E99 PolarHBondContact O-N 3.27Å; S97-A100 WeakPolarHBondContact O-CA 3.48Å; S97-A100 WeakPolarHBondContact O-CB 3.41Å; S97-A100 PolarHBondContact O-N 3.27Å; S97-A100 PolarHBondContact OG-N 3.5Å; S97-M101 PolarHBondContact O-N 3.34Å; S97-M101 VanDerWaalsContact O-N 3.17Å | ||
| 98 | L | 77.9 | Confident | 65.9 | Low | 130 Ų | 130 | 99.2 Ų | 99.2 | 68% | 0.681 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -48.6 | -35.8 | 174.4 | 177.6 | 65.3 | 0 | 0 | 0 | 111.5 | M101 L102 | L98-M101 PolarHBondContact O-N 3.27Å; L98-L102 HydrophobicContact CG-CD1 4.11Å; L98-L102 WeakPolarHBondContact O-CB 3.23Å; L98-L102 VanDerWaalsContact O-CG 3.27Å; L98-L102 WeakPolarHBondContact O-CG 2.99Å; L98-L102 PolarHBondContact O-N 2.84Å |
| 99 | E | 78.5 | Confident | 67.7 | Low | 148 Ų | 148 | 95.7 Ų | 95.7 | 69% | 0.692 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60 | -43.9 | 173.3 | -172.5 | 178 | -173.8 | 0 | 0 | 113.2 | S97 M101 L102 T103 | S97-E99 PolarHBondContact O-N 3.27Å; E99-M101 VanDerWaalsContact C-N 3.35Å; E99-M101 PolarHBondContact O-N 3.05Å; E99-L102 PolarHBondContact O-N 3.49Å; E99-T103 VanDerWaalsContact O-CG2 3.28Å; E99-T103 WeakPolarHBondContact O-CG2 3.42Å; E99-T103 PolarHBondContact O-N 2.79Å; E99-T103 PolarHBondContact O-OG1 3.02Å |
| 100 | A | 80.1 | Confident | 69.6 | Low | 22 Ų | 22 | 93.1 Ų | 93.1 | 18% | 0.182 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F96 S97 T103 I104 | F96-A100 HydrophobicContact CB-CB 4.38Å; F96-A100 HydrophobicContact CD1-CB 3.74Å; S97-A100 WeakPolarHBondContact O-CA 3.48Å; S97-A100 WeakPolarHBondContact O-CB 3.41Å; S97-A100 PolarHBondContact O-N 3.27Å; S97-A100 PolarHBondContact OG-N 3.5Å; A100-T103 VanDerWaalsContact CA-OG1 3.3Å; A100-T103 WeakPolarHBondContact CA-OG1 3.43Å; A100-T103 PolarHBondContact O-OG1 2.8Å; A100-I104 WeakPolarHBondContact O-CD1 2.97Å; A100-I104 VanDerWaalsContact O-CG1 3.22Å; A100-I104 WeakPolarHBondContact O-CG1 3.49Å; A100-I104 PolarHBondContact O-N 2.75Å; A100-I104 VanDerWaalsContact O-N 3.08Å |
| 101 | M | 81.1 | Confident | 71.5 | Confident | 125 Ų | 125 | 89.1 Ų | 89.1 | 62% | 0.616 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.7 | -43.7 | 174.8 | -175.6 | -179.4 | -72.2 | 0 | 0 | 111.8 | S97 L98 E99 I104 Y105 | S97-M101 PolarHBondContact O-N 3.34Å; S97-M101 VanDerWaalsContact O-N 3.17Å; L98-M101 PolarHBondContact O-N 3.27Å; E99-M101 VanDerWaalsContact C-N 3.35Å; E99-M101 PolarHBondContact O-N 3.05Å; M101-I104 PolarHBondContact O-N 3.42Å; M101-Y105 WeakPolarHBondContact O-CB 3.42Å; M101-Y105 PolarHBondContact O-N 3.05Å |
| 102 | L | 80.4 | Confident | 73.1 | Confident | 89 Ų | 89 | 86.3 Ų | 86.3 | 47% | 0.466 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 178 | -72 | 171.9 | 0 | 0 | 0 | 111.8 | L98 E99 Y105 Q106 | L98-L102 HydrophobicContact CG-CD1 4.11Å; L98-L102 WeakPolarHBondContact O-CB 3.23Å; L98-L102 VanDerWaalsContact O-CG 3.27Å; L98-L102 WeakPolarHBondContact O-CG 2.99Å; L98-L102 PolarHBondContact O-N 2.84Å; E99-L102 PolarHBondContact O-N 3.49Å; L102-Y105 WeakPolarHBondContact O-CB 3.28Å; L102-Y105 PolarHBondContact O-N 2.94Å; L102-Q106 WeakPolarHBondContact O-CB 3.42Å; L102-Q106 VanDerWaalsContact O-CG 3.22Å; L102-Q106 WeakPolarHBondContact O-CG 3.46Å; L102-Q106 PolarHBondContact O-N 2.7Å |
| 103 | T | 82.1 | Confident | 74.8 | Confident | 59 Ų | 59 | 83.7 Ų | 83.7 | 36% | 0.362 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 176.6 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | E99 A100 Y105 Q106 L107 | E99-T103 VanDerWaalsContact O-CG2 3.28Å; E99-T103 WeakPolarHBondContact O-CG2 3.42Å; E99-T103 PolarHBondContact O-N 2.79Å; E99-T103 PolarHBondContact O-OG1 3.02Å; A100-T103 VanDerWaalsContact CA-OG1 3.3Å; A100-T103 WeakPolarHBondContact CA-OG1 3.43Å; A100-T103 PolarHBondContact O-OG1 2.8Å; T103-Y105 VanDerWaalsContact C-N 3.34Å; T103-Y105 PolarHBondContact O-N 3Å; T103-Q106 PolarHBondContact O-N 3.16Å; T103-L107 WeakPolarHBondContact O-CB 3.29Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.49Å; T103-L107 PolarHBondContact O-N 3.15Å |
| 104 | I | 82.6 | Confident | 75.5 | Confident | 47 Ų | 47 | 89.4 Ų | 89.4 | 24% | 0.241 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 173.2 | -68.5 | 165.9 | 0 | 0 | 0 | 110.7 | V65 A100 M101 L107 H108 | V65-I104 HydrophobicContact CG1-CG2 4.4Å; A100-I104 WeakPolarHBondContact O-CD1 2.97Å; A100-I104 VanDerWaalsContact O-CG1 3.22Å; A100-I104 WeakPolarHBondContact O-CG1 3.49Å; A100-I104 PolarHBondContact O-N 2.75Å; A100-I104 VanDerWaalsContact O-N 3.08Å; M101-I104 PolarHBondContact O-N 3.42Å; I104-L107 PolarHBondContact O-N 3.39Å; I104-H108 WeakPolarHBondContact O-CB 3.5Å; I104-H108 PolarHBondContact O-N 2.84Å |
| 105 | Y | 81.6 | Confident | 76.2 | Confident | 167 Ų | 167 | 81.6 Ų | 81.6 | 66% | 0.655 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 176.1 | -178.9 | -98.1 | 0 | 0 | 0 | 112.4 | M101 L102 T103 H108 K109 | M101-Y105 WeakPolarHBondContact O-CB 3.42Å; M101-Y105 PolarHBondContact O-N 3.05Å; L102-Y105 WeakPolarHBondContact O-CB 3.28Å; L102-Y105 PolarHBondContact O-N 2.94Å; T103-Y105 VanDerWaalsContact C-N 3.34Å; T103-Y105 PolarHBondContact O-N 3Å; Y105-H108 WeakPolarHBondContact O-CB 3.49Å; Y105-H108 PolarHBondContact O-N 3.47Å; Y105-K109 PolarHBondContact O-N 3.25Å |
| 106 | Q | 80 | Confident | 76.9 | Confident | 85 Ų | 85 | 79.3 Ų | 79.3 | 40% | 0.397 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 175.5 | -73.6 | 168.5 | -16 | 0 | 0 | 111.8 | M30 L102 T103 H108 K109 I110 | M30-Q106 HydrophobicContact SD-CG 4.14Å; M30-Q106 PolarHBondContact SD-NE2 3.21Å; M30-Q106 VanDerWaalsContact SD-NE2 3.42Å; L102-Q106 WeakPolarHBondContact O-CB 3.42Å; L102-Q106 VanDerWaalsContact O-CG 3.22Å; L102-Q106 WeakPolarHBondContact O-CG 3.46Å; L102-Q106 PolarHBondContact O-N 2.7Å; T103-Q106 PolarHBondContact O-N 3.16Å; Q106-H108 VanDerWaalsContact C-N 3.3Å; Q106-H108 PolarHBondContact O-N 3.41Å; Q106-K109 WeakPolarHBondContact O-CB 3.42Å; Q106-K109 PolarHBondContact O-N 3.09Å; Q106-I110 PolarHBondContact O-N 3.42Å |
| 107 | L | 82.5 | Confident | 77.2 | Confident | 67 Ų | 67 | 79.2 Ų | 79.2 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 175.6 | -73.1 | 172.1 | 0 | 0 | 0 | 111.5 | V61 V65 T103 I104 K109 I110 C111 | V61-L107 HydrophobicContact CG1-CD1 4.28Å; V65-L107 HydrophobicContact CG2-CB 4.29Å; T103-L107 WeakPolarHBondContact O-CB 3.29Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.49Å; T103-L107 PolarHBondContact O-N 3.15Å; I104-L107 PolarHBondContact O-N 3.39Å; L107-K109 VanDerWaalsContact C-N 3.27Å; L107-K109 PolarHBondContact O-N 2.96Å; L107-I110 WeakPolarHBondContact O-CB 3.21Å; L107-I110 PolarHBondContact O-N 2.98Å; L107-I110 VanDerWaalsContact O-N 3.11Å; L107-C111 WeakPolarHBondContact O-CB 3.34Å; L107-C111 PolarHBondContact O-N 3.26Å; L107-C111 PolarHBondContact O-SG 3.49Å |
| 108 | H | 82.7 | Confident | 76.5 | Confident | 46 Ų | 46 | 81.4 Ų | 81.4 | 21% | 0.213 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 176.5 | -177.9 | -102.3 | 0 | 0 | 0 | 112.3 | V65 N69 I104 Y105 Q106 C111 H112 | V65-H108 HydrophobicContact CG1-CB 3.8Å; N69-H108 PolarHBondContact ND2-CD2 2.91Å; N69-H108 PolarHBondContact ND2-NE2 3.42Å; I104-H108 WeakPolarHBondContact O-CB 3.5Å; I104-H108 PolarHBondContact O-N 2.84Å; Y105-H108 WeakPolarHBondContact O-CB 3.49Å; Y105-H108 PolarHBondContact O-N 3.47Å; Q106-H108 VanDerWaalsContact C-N 3.3Å; Q106-H108 PolarHBondContact O-N 3.41Å; H108-C111 PolarHBondContact O-N 3.39Å; H108-H112 AromaticContact CD2-CE1 3.42Å; H108-H112 PolarHBondContact CD2-CE1 3.04Å; H108-H112 VanDerWaalsContact CD2-CE1 3.42Å; H108-H112 AromaticContact CD2-ND1 3.56Å; H108-H112 AromaticContact CE1-CE1 3.42Å; H108-H112 PolarHBondContact CE1-CE1 3.17Å; H108-H112 VanDerWaalsContact CE1-CE1 3.42Å; H108-H112 AromaticContact CE1-ND1 3.53Å; H108-H112 AromaticContact CE1-NE2 3.99Å; H108-H112 AromaticContact CG-ND1 3.85Å; H108-H112 AromaticContact ND1-ND1 3.81Å; H108-H112 AromaticContact NE2-CE1 2.96Å; H108-H112 PolarHBondContact NE2-CE1 3.29Å; H108-H112 AromaticContact NE2-ND1 3.42Å; H108-H112 PolarHBondContact NE2-ND1 3.5Å; H108-H112 AromaticContact NE2-NE2 3.75Å; H108-H112 WeakPolarHBondContact O-CB 3.49Å; H108-H112 PolarHBondContact O-N 3.36Å; H108-H112 PolarHBondContact O-ND1 2.92Å |
| 109 | K | 81.1 | Confident | 75.9 | Confident | 98 Ų | 98 | 76.9 Ų | 76.9 | 43% | 0.426 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.7 | -171.1 | -169.2 | 174.9 | -148.3 | 0 | 112 | E34 Y105 Q106 L107 H112 S113 | E34-K109 IonicContact OE1-NZ 3.78Å; E34-K109 IonicContact OE2-NZ 2.76Å; E34-K109 PolarHBondContact OE2-NZ 2.96Å; Y105-K109 PolarHBondContact O-N 3.25Å; Q106-K109 WeakPolarHBondContact O-CB 3.42Å; Q106-K109 PolarHBondContact O-N 3.09Å; L107-K109 VanDerWaalsContact C-N 3.27Å; L107-K109 PolarHBondContact O-N 2.96Å; K109-H112 PolarHBondContact O-N 3.42Å; K109-S113 PolarHBondContact O-N 2.97Å; K109-S113 VanDerWaalsContact O-N 3.15Å |
| 110 | I | 80.1 | Confident | 75.1 | Confident | 45 Ų | 45 | 74.9 Ų | 74.9 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177 | -63.9 | 168.3 | 0 | 0 | 0 | 110.4 | Q106 L107 H112 S113 | Q106-I110 PolarHBondContact O-N 3.42Å; L107-I110 WeakPolarHBondContact O-CB 3.21Å; L107-I110 PolarHBondContact O-N 2.98Å; L107-I110 VanDerWaalsContact O-N 3.11Å; I110-H112 VanDerWaalsContact C-N 3.31Å; I110-H112 PolarHBondContact O-N 2.94Å; I110-S113 WeakPolarHBondContact O-CB 3.32Å; I110-S113 PolarHBondContact O-N 3.2Å; I110-S113 VanDerWaalsContact O-N 3.09Å; I110-S113 PolarHBondContact O-OG 3.16Å |
| 111 | C | 81.2 | Confident | 74.2 | Confident | 8 Ų | 8 | 79.1 Ų | 79.1 | 5% | 0.054 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.3 | -30.4 | 178.9 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | C62 L107 H108 S113 | C62-C111 WeakPolarHBondContact CA-SG 3.5Å; C62-C111 HydrophobicContact CB-CB 3.55Å; C62-C111 WeakPolarHBondContact CB-SG 3.42Å; C62-C111 WeakPolarHBondContact SG-CA 3.19Å; C62-C111 WeakPolarHBondContact SG-CB 3.37Å; C62-C111 CovalentContact SG-SG 2.03Å; C62-C111 PolarHBondContact SG-SG 2.89Å; L107-C111 WeakPolarHBondContact O-CB 3.34Å; L107-C111 PolarHBondContact O-N 3.26Å; L107-C111 PolarHBondContact O-SG 3.49Å; H108-C111 PolarHBondContact O-N 3.39Å; C111-S113 VanDerWaalsContact C-N 3.33Å |
| 112 | H | 77.3 | Confident | 73.2 | Confident | 94 Ų | 94 | 76.3 Ų | 76.3 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -0.4 | 173.9 | -76.4 | 72.6 | 0 | 0 | 0 | 113.6 | N66 H108 K109 I110 | N66-H112 PolarHBondContact OD1-CE1 2.71Å; N66-H112 VanDerWaalsContact OD1-CE1 3.25Å; H108-H112 AromaticContact CD2-CE1 3.42Å; H108-H112 PolarHBondContact CD2-CE1 3.04Å; H108-H112 VanDerWaalsContact CD2-CE1 3.42Å; H108-H112 AromaticContact CD2-ND1 3.56Å; H108-H112 AromaticContact CE1-CE1 3.42Å; H108-H112 PolarHBondContact CE1-CE1 3.17Å; H108-H112 VanDerWaalsContact CE1-CE1 3.42Å; H108-H112 AromaticContact CE1-ND1 3.53Å; H108-H112 AromaticContact CE1-NE2 3.99Å; H108-H112 AromaticContact CG-ND1 3.85Å; H108-H112 AromaticContact ND1-ND1 3.81Å; H108-H112 AromaticContact NE2-CE1 2.96Å; H108-H112 PolarHBondContact NE2-CE1 3.29Å; H108-H112 AromaticContact NE2-ND1 3.42Å; H108-H112 PolarHBondContact NE2-ND1 3.5Å; H108-H112 AromaticContact NE2-NE2 3.75Å; H108-H112 WeakPolarHBondContact O-CB 3.49Å; H108-H112 PolarHBondContact O-N 3.36Å; H108-H112 PolarHBondContact O-ND1 2.92Å; K109-H112 PolarHBondContact O-N 3.42Å; I110-H112 VanDerWaalsContact C-N 3.31Å; I110-H112 PolarHBondContact O-N 2.94Å |
| 113 | S | 77.6 | Confident | 72.1 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -65.6 | 139.5 | 179 | 74.4 | 0 | 0 | 0 | 0 | 110.7 | K109 I110 C111 A115 F116 Q117 | K109-S113 PolarHBondContact O-N 2.97Å; K109-S113 VanDerWaalsContact O-N 3.15Å; I110-S113 WeakPolarHBondContact O-CB 3.32Å; I110-S113 PolarHBondContact O-N 3.2Å; I110-S113 VanDerWaalsContact O-N 3.09Å; I110-S113 PolarHBondContact O-OG 3.16Å; C111-S113 VanDerWaalsContact C-N 3.33Å; S113-A115 PolarHBondContact O-N 3.49Å; S113-A115 VanDerWaalsContact O-N 3.16Å; S113-F116 WeakPolarHBondContact O-CB 3.24Å; S113-F116 PolarHBondContact O-N 2.95Å; S113-F116 WeakPolarHBondContact OG-CB 3.43Å; S113-Q117 PolarHBondContact O-N 3.19Å; S113-Q117 VanDerWaalsContact O-N 3.16Å |
| 114 | R | 61.9 | Low | 70.9 | Confident | 218 Ų | 218 | 76.5 Ų | 76.5 | 82% | 0.823 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.1 | -28.8 | 179.6 | -172.3 | 177.5 | 178.9 | -169.7 | 0.2 | 112.9 | F116 H118 | R114-F116 VanDerWaalsContact C-N 3.31Å; R114-H118 PolarHBondContact O-N 3.23Å |
| 115 | A | 64.3 | Low | 69.5 | Low | 21 Ų | 21 | 79.5 Ų | 79.5 | 17% | 0.174 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.2 | -38 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L38 S113 W119 | L38-A115 HydrophobicContact CD2-CB 3.68Å; S113-A115 PolarHBondContact O-N 3.49Å; S113-A115 VanDerWaalsContact O-N 3.16Å; A115-W119 HydrophobicContact CB-CH2 4.06Å; A115-W119 HydrophobicContact CB-CZ2 4.37Å; A115-W119 HydrophobicContact CB-CZ3 4.41Å; A115-W119 PolarHBondContact O-N 3.1Å |
| 116 | F | 66.3 | Low | 68.2 | Low | 13 Ų | 13 | 76 Ų | 76 | 6% | 0.057 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.2 | -42.9 | -180 | -162.5 | -102.4 | 0 | 0 | 0 | 113 | L58 L59 C62 S113 R114 H118 W119 E120 | L58-F116 HydrophobicContact CB-CE2 4.27Å; L58-F116 HydrophobicContact CD2-CD2 3.74Å; L58-F116 HydrophobicContact CD2-CE2 3.17Å; L58-F116 HydrophobicContact CD2-CZ 3.6Å; L58-F116 HydrophobicContact CG-CE2 4.19Å; L59-F116 HydrophobicContact CB-CZ 4.36Å; L59-F116 HydrophobicContact CD2-CE1 3.67Å; L59-F116 HydrophobicContact CD2-CE2 4.28Å; L59-F116 HydrophobicContact CD2-CZ 3.37Å; L59-F116 HydrophobicContact CG-CE1 4.49Å; L59-F116 HydrophobicContact CG-CE2 4.41Å; L59-F116 HydrophobicContact CG-CZ 3.72Å; C62-F116 HydrophobicContact CB-CE1 3.69Å; C62-F116 HydrophobicContact CB-CZ 4.06Å; S113-F116 WeakPolarHBondContact O-CB 3.24Å; S113-F116 PolarHBondContact O-N 2.95Å; S113-F116 WeakPolarHBondContact OG-CB 3.43Å; R114-F116 VanDerWaalsContact C-N 3.31Å; F116-H118 PolarHBondContact O-N 3.28Å; F116-W119 HydrophobicContact CB-CE3 4.47Å; F116-W119 AromaticContact CD2-CE3 3.77Å; F116-W119 HydrophobicContact CD2-CE3 3.77Å; F116-W119 HydrophobicContact CD2-CZ3 4.19Å; F116-W119 HydrophobicContact CE2-CE3 4.48Å; F116-W119 WeakPolarHBondContact O-CA 3.4Å; F116-W119 WeakPolarHBondContact O-CB 3.45Å; F116-W119 PolarHBondContact O-N 3.09Å; F116-E120 PolarHBondContact O-N 3.4Å; F116-E120 VanDerWaalsContact O-N 3.1Å |
| 117 | Q | 65.4 | Low | 66.9 | Low | 97 Ų | 97 | 77.9 Ų | 77.9 | 45% | 0.453 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.9 | -37.1 | 174.9 | -68.4 | 178 | -14.5 | 0 | 0 | 112.3 | S113 W119 | S113-Q117 PolarHBondContact O-N 3.19Å; S113-Q117 VanDerWaalsContact O-N 3.16Å; Q117-W119 VanDerWaalsContact C-N 3.31Å; Q117-W119 PolarHBondContact O-N 3.46Å |
| 118 | H | 62.3 | Low | 65.2 | Low | 111 Ų | 111 | 80.9 Ų | 80.9 | 51% | 0.514 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.8 | -30.6 | 175.7 | -170.1 | 46 | 0 | 0 | 0 | 112.4 | R114 F116 I122 | R114-H118 PolarHBondContact O-N 3.23Å; F116-H118 PolarHBondContact O-N 3.28Å; H118-I122 WeakPolarHBondContact O-CD1 3.49Å; H118-I122 VanDerWaalsContact O-CG1 3.27Å; H118-I122 WeakPolarHBondContact O-CG1 3.48Å; H118-I122 PolarHBondContact O-N 3.27Å |
| 119 | W | 64.8 | Low | 63.5 | Low | 34 Ų | 34 | 81.3 Ų | 81.3 | 13% | 0.129 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -75.3 | -33.9 | 177.7 | -68.2 | -28.2 | 0 | 0 | 0 | 113.9 | L38 M41 A115 F116 Q117 L121 I122 Q123 | L38-W119 HydrophobicContact CD2-CH2 4.37Å; M41-W119 HydrophobicContact CB-CH2 3.35Å; M41-W119 HydrophobicContact CB-CZ2 3.67Å; M41-W119 HydrophobicContact CB-CZ3 4.18Å; M41-W119 HydrophobicContact CE-CH2 3.42Å; M41-W119 VanDerWaalsContact CE-CH2 3.42Å; M41-W119 HydrophobicContact CE-CZ3 3.48Å; M41-W119 VanDerWaalsContact CE-CZ3 3.48Å; M41-W119 HydrophobicContact CG-CH2 3.93Å; M41-W119 HydrophobicContact CG-CZ3 4.32Å; M41-W119 HydrophobicContact SD-CE3 4.21Å; M41-W119 HydrophobicContact SD-CH2 3.37Å; M41-W119 WeakPolarHBondContact SD-CH2 3.22Å; M41-W119 HydrophobicContact SD-CZ2 4.44Å; M41-W119 HydrophobicContact SD-CZ3 3.19Å; M41-W119 WeakPolarHBondContact SD-CZ3 3.48Å; A115-W119 HydrophobicContact CB-CH2 4.06Å; A115-W119 HydrophobicContact CB-CZ2 4.37Å; A115-W119 HydrophobicContact CB-CZ3 4.41Å; A115-W119 PolarHBondContact O-N 3.1Å; F116-W119 HydrophobicContact CB-CE3 4.47Å; F116-W119 AromaticContact CD2-CE3 3.77Å; F116-W119 HydrophobicContact CD2-CE3 3.77Å; F116-W119 HydrophobicContact CD2-CZ3 4.19Å; F116-W119 HydrophobicContact CE2-CE3 4.48Å; F116-W119 WeakPolarHBondContact O-CA 3.4Å; F116-W119 WeakPolarHBondContact O-CB 3.45Å; F116-W119 PolarHBondContact O-N 3.09Å; Q117-W119 VanDerWaalsContact C-N 3.31Å; Q117-W119 PolarHBondContact O-N 3.46Å; W119-L121 VanDerWaalsContact C-N 3.35Å; W119-I122 PolarHBondContact O-N 3.23Å; W119-Q123 PolarHBondContact O-N 3.06Å; W119-Q123 VanDerWaalsContact O-N 3.09Å |
| 120 | E | 62 | Low | 61.8 | Low | 106 Ų | 106 | 79.9 Ų | 79.9 | 50% | 0.495 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58 | -48.2 | 172.9 | -172 | 169.6 | -154 | 0 | 0 | 110.8 | F116 I122 Q123 E124 | F116-E120 PolarHBondContact O-N 3.4Å; F116-E120 VanDerWaalsContact O-N 3.1Å; E120-I122 PolarHBondContact O-N 2.75Å; E120-Q123 PolarHBondContact O-N 3.04Å; E120-E124 PolarHBondContact O-N 3.46Å |
| 121 | L | 61.4 | Low | 60 | Low | 111 Ų | 111 | 83.8 Ų | 83.8 | 58% | 0.581 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.3 | -40 | 177.3 | -72.8 | 165.5 | 0 | 0 | 0 | 113.8 | W119 Q123 D125 | W119-L121 VanDerWaalsContact C-N 3.35Å; L121-Q123 VanDerWaalsContact C-N 3.29Å; L121-Q123 PolarHBondContact O-N 3.1Å; L121-D125 PolarHBondContact O-N 3.1Å |
| 122 | I | 59.3 | Low | 58.3 | Low | 66 Ų | 66 | 88.5 Ų | 88.5 | 34% | 0.338 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68 | -32.2 | 178.5 | -69.4 | 164.4 | 0 | 0 | 0 | 111 | H118 W119 E120 I126 | H118-I122 WeakPolarHBondContact O-CD1 3.49Å; H118-I122 VanDerWaalsContact O-CG1 3.27Å; H118-I122 WeakPolarHBondContact O-CG1 3.48Å; H118-I122 PolarHBondContact O-N 3.27Å; W119-I122 PolarHBondContact O-N 3.23Å; E120-I122 PolarHBondContact O-N 2.75Å; I122-I126 HydrophobicContact CG2-CD1 3.75Å; I122-I126 HydrophobicContact CG2-CG1 4.44Å; I122-I126 WeakPolarHBondContact O-CD1 3.41Å; I122-I126 VanDerWaalsContact O-CG1 3.27Å; I122-I126 WeakPolarHBondContact O-CG1 3.37Å; I122-I126 PolarHBondContact O-N 3.37Å; I122-I126 VanDerWaalsContact O-N 3.15Å |
| 123 | Q | 58.2 | Low | 57.1 | Low | 33 Ų | 33 | 92.7 Ų | 92.7 | 15% | 0.154 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -73.9 | -36.9 | -179.7 | -169.8 | 174.9 | -51.9 | 0 | 0 | 112.3 | M56 W119 E120 L121 D125 I126 L127 | M56-Q123 PolarHBondContact SD-NE2 3.42Å; W119-Q123 PolarHBondContact O-N 3.06Å; W119-Q123 VanDerWaalsContact O-N 3.09Å; E120-Q123 PolarHBondContact O-N 3.04Å; L121-Q123 VanDerWaalsContact C-N 3.29Å; L121-Q123 PolarHBondContact O-N 3.1Å; Q123-D125 VanDerWaalsContact C-N 3.33Å; Q123-I126 PolarHBondContact O-N 3.15Å; Q123-L127 HydrophobicContact CG-CD1 3.94Å; Q123-L127 HydrophobicContact CG-CG 4.4Å; Q123-L127 WeakPolarHBondContact O-CB 3.27Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 3.4Å |
| 124 | E | 57.6 | Low | 55.8 | Low | 120 Ų | 120 | 96.7 Ų | 96.7 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.3 | -46 | 171.6 | -74.7 | 176.8 | 161.8 | 0 | 0 | 110.9 | E120 I126 L127 D128 | E120-E124 PolarHBondContact O-N 3.46Å; E124-I126 PolarHBondContact O-N 2.62Å; E124-L127 PolarHBondContact O-N 3.33Å; E124-D128 WeakPolarHBondContact O-CB 3.37Å; E124-D128 PolarHBondContact O-N 3.23Å |
| 125 | D | 51.3 | Low | 55.3 | Low | 110 Ų | 110 | 91.9 Ų | 91.9 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.3 | -40.4 | 178.5 | -164.8 | 40.5 | 0 | 0 | 0 | 112.5 | L121 Q123 T129 | L121-D125 PolarHBondContact O-N 3.1Å; Q123-D125 VanDerWaalsContact C-N 3.33Å; D125-T129 WeakPolarHBondContact O-CB 3.27Å; D125-T129 PolarHBondContact O-N 3.41Å; D125-T129 PolarHBondContact O-OG1 3.42Å |
| 126 | I | 54.6 | Low | 54.7 | Low | 93 Ų | 93 | 99 Ų | 99 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71 | -37.9 | 177.9 | -66.3 | 166.2 | 0 | 0 | 0 | 112.1 | I122 Q123 E124 G130 | I122-I126 HydrophobicContact CG2-CD1 3.75Å; I122-I126 HydrophobicContact CG2-CG1 4.44Å; I122-I126 WeakPolarHBondContact O-CD1 3.41Å; I122-I126 VanDerWaalsContact O-CG1 3.27Å; I122-I126 WeakPolarHBondContact O-CG1 3.37Å; I122-I126 PolarHBondContact O-N 3.37Å; I122-I126 VanDerWaalsContact O-N 3.15Å; Q123-I126 PolarHBondContact O-N 3.15Å; E124-I126 PolarHBondContact O-N 2.62Å; I126-G130 PolarHBondContact O-N 2.97Å |
| 127 | L | 53.3 | Low | 54.1 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.1 | -34 | 177.5 | -75.3 | 167.8 | 0 | 0 | 0 | 111.5 | Q123 E124 | Q123-L127 HydrophobicContact CG-CD1 3.94Å; Q123-L127 HydrophobicContact CG-CG 4.4Å; Q123-L127 WeakPolarHBondContact O-CB 3.27Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 3.4Å; E124-L127 PolarHBondContact O-N 3.33Å |
| 128 | D | 47.5 | Very low | 53.4 | Low | 130 Ų | 130 | 106.5 Ų | 106.5 | 70% | 0.695 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -77.6 | -35.4 | 178.5 | -143.1 | 14.3 | 0 | 0 | 0 | 112.1 | E124 G130 N131 | E124-D128 WeakPolarHBondContact O-CB 3.37Å; E124-D128 PolarHBondContact O-N 3.23Å; D128-G130 PolarHBondContact O-N 2.95Å; D128-N131 PolarHBondContact O-N 3.31Å |
| 129 | T | 46.4 | Very low | 53 | Low | 55 Ų | 55 | 106.4 Ų | 106.4 | 34% | 0.337 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -21 | 174.2 | -49 | 0 | 0 | 0 | 0 | 112.6 | D125 N131 D132 | D125-T129 WeakPolarHBondContact O-CB 3.27Å; D125-T129 PolarHBondContact O-N 3.41Å; D125-T129 PolarHBondContact O-OG1 3.42Å; T129-N131 PolarHBondContact O-N 2.96Å; T129-D132 PolarHBondContact O-N 3.21Å |
| 130 | G | 44.7 | Very low | 52.5 | Low | 69 Ų | 69 | 109.7 Ų | 109.7 | 71% | 0.711 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -11.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I126 D128 | I126-G130 PolarHBondContact O-N 2.97Å; D128-G130 PolarHBondContact O-N 2.95Å |
| 131 | N | 43.2 | Very low | 52.2 | Low | 126 Ų | 126 | 111.7 Ų | 111.7 | 67% | 0.674 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -11.5 | 178.1 | -165.3 | 22.5 | 0 | 0 | 0 | 113.4 | D128 T129 K133 | D128-N131 PolarHBondContact O-N 3.31Å; T129-N131 PolarHBondContact O-N 2.96Å; N131-K133 PolarHBondContact O-N 3.47Å |
| 132 | D | 45.5 | Very low | 52.2 | Low | 107 Ų | 107 | 117.1 Ų | 117.1 | 57% | 0.572 | 59% | 0.587 | S | S | * | * | trans | -81.7 | 93 | 179.2 | -106.5 | -28 | 0 | 0 | 0 | 111.1 | T129 N134 E135 | T129-D132 PolarHBondContact O-N 3.21Å; D132-N134 PolarHBondContact O-N 3.15Å; D132-E135 PolarHBondContact O-N 3.3Å | ||
| 133 | K | 51.8 | Low | 52.4 | Low | 183 Ų | 183 | 123.6 Ų | 123.6 | 80% | 0.796 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 0.4 | 171.8 | -69.7 | 174.3 | 179.7 | 167.4 | 0 | 114.3 | N131 | N131-K133 PolarHBondContact O-N 3.47Š|
| 134 | N | 50.2 | Low | 52.9 | Low | 103 Ų | 103 | 125 Ų | 125 | 55% | 0.551 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -20.8 | -177.1 | -72 | -25.9 | 0 | 0 | 0 | 114.5 | D132 K136 E137 E138 | D132-N134 PolarHBondContact O-N 3.15Å; N134-K136 VanDerWaalsContact C-N 3.28Å; N134-K136 PolarHBondContact O-N 2.95Å; N134-E137 PolarHBondContact O-N 3.15Å; N134-E137 VanDerWaalsContact O-N 3.11Å; N134-E138 PolarHBondContact O-N 3.44Å |
| 135 | E | 51.3 | Low | 53.9 | Low | 118 Ų | 118 | 122.8 Ų | 122.8 | 55% | 0.551 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.5 | -31.4 | -178.8 | -68.3 | -161.4 | 151.8 | 0 | 0 | 112.8 | D132 E137 E138 V139 | D132-E135 PolarHBondContact O-N 3.3Å; E135-E137 PolarHBondContact O-N 3.46Å; E135-E138 PolarHBondContact O-N 3.27Å; E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.19Å |
| 136 | K | 52.4 | Low | 54.7 | Low | 170 Ų | 170 | 125.3 Ų | 125.3 | 74% | 0.739 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.1 | -30.6 | 176.3 | -66.8 | -173.4 | -177.7 | 177.8 | 0 | 111.5 | N134 I140 | N134-K136 VanDerWaalsContact C-N 3.28Å; N134-K136 PolarHBondContact O-N 2.95Å; K136-I140 WeakPolarHBondContact O-CD1 3.04Å; K136-I140 WeakPolarHBondContact O-CG1 3.38Å; K136-I140 PolarHBondContact O-N 3.32Å |
| 137 | E | 52.1 | Low | 55.7 | Low | 130 Ų | 130 | 125.3 Ų | 125.3 | 61% | 0.607 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.7 | -30.2 | -179.7 | -164.1 | 169.5 | -175.7 | 0 | 0 | 112.7 | N134 E135 | N134-E137 PolarHBondContact O-N 3.15Å; N134-E137 VanDerWaalsContact O-N 3.11Å; E135-E137 PolarHBondContact O-N 3.46Å |
| 138 | E | 52.4 | Low | 56.5 | Low | 138 Ų | 138 | 124.1 Ų | 124.1 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -81.9 | -34.8 | 178.3 | -63.3 | -155.2 | 151.9 | 0 | 0 | 113.4 | N134 E135 K141 | N134-E138 PolarHBondContact O-N 3.44Å; E135-E138 PolarHBondContact O-N 3.27Å; E138-K141 PolarHBondContact O-N 3.45Å |
| 139 | V | 52.8 | Low | 57.5 | Low | 108 Ų | 108 | 123.7 Ų | 123.7 | 66% | 0.655 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.7 | -32.5 | 177.5 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | E135 K141 R142 | E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.19Å; V139-K141 PolarHBondContact O-N 3.07Å; V139-R142 PolarHBondContact O-N 3.46Å |
| 140 | I | 55.3 | Low | 58.5 | Low | 103 Ų | 103 | 128.3 Ų | 128.3 | 53% | 0.528 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.8 | -18.6 | 177.1 | -69.3 | 167.4 | 0 | 0 | 0 | 112 | K136 R142 I144 | K136-I140 WeakPolarHBondContact O-CD1 3.04Å; K136-I140 WeakPolarHBondContact O-CG1 3.38Å; K136-I140 PolarHBondContact O-N 3.32Å; I140-R142 PolarHBondContact O-N 3.49Å; I140-I144 HydrophobicContact CG2-CD1 3.68Å; I140-I144 HydrophobicContact CG2-CG1 4.05Å; I140-I144 WeakPolarHBondContact O-CD1 2.96Å; I140-I144 WeakPolarHBondContact O-CG1 3.34Å |
| 141 | K | 54.4 | Low | 59.6 | Low | 149 Ų | 149 | 130.3 Ų | 130.3 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -11.3 | 179 | -66.1 | 174 | -171.9 | 169.1 | 0 | 113.6 | E138 V139 K143 | E138-K141 PolarHBondContact O-N 3.45Å; V139-K141 PolarHBondContact O-N 3.07Å; K141-K143 PolarHBondContact O-N 2.91Å |
| 142 | R | 62.5 | Low | 60.5 | Low | 225 Ų | 225 | 129.5 Ų | 129.5 | 85% | 0.849 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -99.9 | 93.5 | -179.9 | -63.3 | -174.2 | -174.3 | 168.4 | 4.6 | 110.6 | V139 I140 | V139-R142 PolarHBondContact O-N 3.46Å; I140-R142 PolarHBondContact O-N 3.49Å |
| 143 | K | 64 | Low | 61.2 | Low | 201 Ų | 201 | 131.3 Ų | 131.3 | 87% | 0.874 | 60% | 0.602 | S | S | * | * | trans | 67.3 | 61.7 | 167.3 | -146.4 | 179.5 | -171 | -177.9 | 0 | 115.2 | K141 P145 | K141-K143 PolarHBondContact O-N 2.91Å; K143-P145 WeakPolarHBondContact O-CD 3.22Å | ||
| 144 | I | 67.6 | Low | 61.6 | Low | 64 Ų | 64 | 128.1 Ų | 128.1 | 33% | 0.328 | 59% | 0.59 | S | S | . | * | trans | -61.1 | 126.3 | 166.8 | -52 | 176.1 | 0 | 0 | 0 | 109.3 | I140 L148 | I140-I144 HydrophobicContact CG2-CD1 3.68Å; I140-I144 HydrophobicContact CG2-CG1 4.05Å; I140-I144 WeakPolarHBondContact O-CD1 2.96Å; I140-I144 WeakPolarHBondContact O-CG1 3.34Å; I144-L148 HydrophobicContact CG2-CB 3.48Å; I144-L148 VanDerWaalsContact CG2-CB 3.48Å | ||
| 145 | P | 79.1 | Confident | 62 | Low | 72 Ų | 72 | 129.6 Ų | 129.6 | 47% | 0.468 | 60% | 0.598 | S | S | . | * | trans | -55.5 | 145.5 | 173.7 | -22.7 | 31.4 | 0 | 0 | 0 | 111.8 | K143 I147 L148 K149 | K143-P145 WeakPolarHBondContact O-CD 3.22Å; P145-I147 PolarHBondContact O-N 3.36Å; P145-L148 HydrophobicContact CB-CD1 4.36Å; P145-L148 HydrophobicContact CG-CD1 3.91Å; P145-L148 PolarHBondContact O-N 3.16Å; P145-K149 PolarHBondContact O-N 3.24Å; P145-K149 VanDerWaalsContact O-N 3.1Å | ||
| 146 | Y | 67.9 | Low | 62.4 | Low | 163 Ų | 163 | 130.4 Ų | 130.4 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -56.1 | -29.9 | -176.2 | 74.8 | -85.4 | 0 | 0 | 0 | 113.5 | K149 R150 | Y146-K149 PolarHBondContact O-N 3.21Å; Y146-R150 PolarHBondContact O-N 3.31Å |
| 147 | I | 74.5 | Confident | 62.9 | Low | 94 Ų | 94 | 128 Ų | 128 | 48% | 0.482 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.7 | -50.4 | 177.1 | -69.8 | 152.6 | 0 | 0 | 0 | 110.8 | P145 K149 R150 Q151 | P145-I147 PolarHBondContact O-N 3.36Å; I147-K149 VanDerWaalsContact C-N 3.31Å; I147-K149 PolarHBondContact O-N 3.29Å; I147-R150 PolarHBondContact O-N 3.3Å; I147-R150 VanDerWaalsContact O-N 3.15Å; I147-Q151 WeakPolarHBondContact O-CG 3.24Å; I147-Q151 PolarHBondContact O-N 3.3Å; I147-Q151 VanDerWaalsContact O-N 3.1Å |
| 148 | L | 70.6 | Confident | 63.6 | Low | 99 Ų | 99 | 133.3 Ų | 133.3 | 52% | 0.518 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65 | -36.7 | 177.8 | -84 | 148.2 | 0 | 0 | 0 | 111.6 | I144 P145 Q151 L152 | I144-L148 HydrophobicContact CG2-CB 3.48Å; I144-L148 VanDerWaalsContact CG2-CB 3.48Å; P145-L148 HydrophobicContact CB-CD1 4.36Å; P145-L148 HydrophobicContact CG-CD1 3.91Å; P145-L148 PolarHBondContact O-N 3.16Å; L148-Q151 PolarHBondContact O-N 2.94Å; L148-L152 WeakPolarHBondContact O-CG 3.03Å; L148-L152 PolarHBondContact O-N 2.82Å; L148-L152 VanDerWaalsContact O-N 3.16Å |
| 149 | K | 69.1 | Low | 64.3 | Low | 121 Ų | 121 | 138 Ų | 138 | 53% | 0.526 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.7 | -45.6 | 172.6 | -155.7 | 175.4 | -168.1 | 178.3 | 0 | 110.5 | P145 Y146 I147 Q151 L152 Y153 | P145-K149 PolarHBondContact O-N 3.24Å; P145-K149 VanDerWaalsContact O-N 3.1Å; Y146-K149 PolarHBondContact O-N 3.21Å; I147-K149 VanDerWaalsContact C-N 3.31Å; I147-K149 PolarHBondContact O-N 3.29Å; K149-Q151 PolarHBondContact O-N 3.03Å; K149-L152 PolarHBondContact O-N 3.27Å; K149-Y153 HydrophobicContact CG-CD2 3.96Å; K149-Y153 HydrophobicContact CG-CE2 3.87Å; K149-Y153 VanDerWaalsContact O-CD2 3.24Å; K149-Y153 WeakPolarHBondContact O-CD2 3.33Å; K149-Y153 PolarHBondContact O-N 3.11Å |
| 150 | R | 66.1 | Low | 64.9 | Low | 151 Ų | 151 | 138.2 Ų | 138.2 | 57% | 0.57 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.1 | -43.9 | -178.9 | -150.2 | -169.5 | -72.9 | -167.1 | -4.7 | 112.2 | Y146 I147 L152 Y153 E154 | Y146-R150 PolarHBondContact O-N 3.31Å; I147-R150 PolarHBondContact O-N 3.3Å; I147-R150 VanDerWaalsContact O-N 3.15Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.4Å; R150-Y153 PolarHBondContact O-N 3.3Å; R150-E154 WeakPolarHBondContact CD-OE1 3.39Å; R150-E154 HydrophobicContact CG-CG 4.14Å; R150-E154 VanDerWaalsContact CG-OE1 3.22Å; R150-E154 WeakPolarHBondContact CG-OE1 3.36Å; R150-E154 WeakPolarHBondContact O-CB 3.32Å; R150-E154 VanDerWaalsContact O-CG 3.32Å; R150-E154 WeakPolarHBondContact O-CG 3.04Å; R150-E154 PolarHBondContact O-N 3.19Å |
| 151 | Q | 68.1 | Low | 65.2 | Low | 112 Ų | 112 | 142.2 Ų | 142.2 | 52% | 0.523 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.6 | -34.7 | 177.8 | -64 | -65 | -54.8 | 0 | 0 | 113.2 | I147 L148 K149 N155 | I147-Q151 WeakPolarHBondContact O-CG 3.24Å; I147-Q151 PolarHBondContact O-N 3.3Å; I147-Q151 VanDerWaalsContact O-N 3.1Å; L148-Q151 PolarHBondContact O-N 2.94Å; K149-Q151 PolarHBondContact O-N 3.03Å; Q151-N155 PolarHBondContact O-ND2 3.46Å |
| 152 | L | 62.5 | Low | 65.7 | Low | 108 Ų | 108 | 142.8 Ų | 142.8 | 57% | 0.565 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.6 | -30.3 | 177.2 | -75 | 165.8 | 0 | 0 | 0 | 113.6 | L148 K149 R150 | L148-L152 WeakPolarHBondContact O-CG 3.03Å; L148-L152 PolarHBondContact O-N 2.82Å; L148-L152 VanDerWaalsContact O-N 3.16Å; K149-L152 PolarHBondContact O-N 3.27Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.4Å |
| 153 | Y | 60.8 | Low | 65.7 | Low | 146 Ų | 146 | 138.4 Ų | 138.4 | 57% | 0.573 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -98.2 | -18.8 | -177.3 | -75.4 | -83.7 | 0 | 0 | 0 | 114.1 | K149 R150 N155 | K149-Y153 HydrophobicContact CG-CD2 3.96Å; K149-Y153 HydrophobicContact CG-CE2 3.87Å; K149-Y153 VanDerWaalsContact O-CD2 3.24Å; K149-Y153 WeakPolarHBondContact O-CD2 3.33Å; K149-Y153 PolarHBondContact O-N 3.11Å; R150-Y153 PolarHBondContact O-N 3.3Å; Y153-N155 VanDerWaalsContact C-N 3.31Å |
| 154 | E | 60 | Low | 65.4 | Low | 116 Ų | 116 | 137.3 Ų | 137.3 | 54% | 0.542 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.4 | -21.7 | 175.8 | -80.5 | 176.1 | 173.9 | 0 | 0 | 113.4 | R150 K156 | R150-E154 WeakPolarHBondContact CD-OE1 3.39Å; R150-E154 HydrophobicContact CG-CG 4.14Å; R150-E154 VanDerWaalsContact CG-OE1 3.22Å; R150-E154 WeakPolarHBondContact CG-OE1 3.36Å; R150-E154 WeakPolarHBondContact O-CB 3.32Å; R150-E154 VanDerWaalsContact O-CG 3.32Å; R150-E154 WeakPolarHBondContact O-CG 3.04Å; R150-E154 PolarHBondContact O-N 3.19Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 3.46Å |
| 155 | N | 58.4 | Low | 65.1 | Low | 134 Ų | 134 | 145.4 Ų | 145.4 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 3.1 | 179 | -74.4 | -59.9 | 0 | 0 | 0 | 114.5 | Q151 Y153 | Q151-N155 PolarHBondContact O-ND2 3.46Å; Y153-N155 VanDerWaalsContact C-N 3.31Å |
| 156 | K | 60.7 | Low | 63.9 | Low | 135 Ų | 135 | 148 Ų | 148 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -86 | 122.3 | 173.4 | -66 | -171.8 | -178.1 | -173 | 0 | 108.7 | E154 R158 | E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 3.46Å; K156-R158 PolarHBondContact O-N 3.03Å |
| 157 | P | 62.6 | Low | 63.6 | Low | 120 Ų | 120 | 145.9 Ų | 145.9 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | trans | -56.8 | 116.2 | 172 | 22.6 | -30.6 | 0 | 0 | 0 | 107.9 | R159 | P157-R159 PolarHBondContact O-N 2.98Š| ||
| 158 | R | 65.8 | Low | 62.8 | Low | 241 Ų | 241 | 150 Ų | 150 | 91% | 0.909 | 69% | 0.693 | S | S | * | * | trans | -57.6 | 114.9 | 173.9 | -78.8 | -178.3 | 168.3 | 133.4 | -2.3 | 106.8 | K156 P160 | K156-R158 PolarHBondContact O-N 3.03Å; R158-P160 WeakPolarHBondContact O-CD 3.42Å; R158-P160 VanDerWaalsContact O-N 3.15Å | ||
| 159 | R | 68.6 | Low | 61.8 | Low | 235 Ų | 235 | 155.3 Ų | 155.3 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -58 | 121 | 171.5 | -66 | -172.4 | -177.3 | -159.2 | 0.7 | 106.3 | P157 Y161 | P157-R159 PolarHBondContact O-N 2.98Å; R159-Y161 PolarHBondContact O-N 2.86Å; R159-Y161 VanDerWaalsContact O-N 3.07Å |
| 160 | P | 63.9 | Low | 60.8 | Low | 114 Ų | 114 | 164.1 Ų | 164.1 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 122.6 | 174.8 | 23.3 | -29.8 | 0 | 0 | 0 | 106.4 | R158 I162 | R158-P160 WeakPolarHBondContact O-CD 3.42Å; R158-P160 VanDerWaalsContact O-N 3.15Å; P160-I162 PolarHBondContact O-N 3.06Å |
| 161 | Y | 62.2 | Low | 60.5 | Low | 187 Ų | 187 | 164.8 Ų | 164.8 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -59 | 118 | 167.5 | 43.6 | -87.1 | 0 | 0 | 0 | 105.5 | R159 L163 | R159-Y161 PolarHBondContact O-N 2.86Å; R159-Y161 VanDerWaalsContact O-N 3.07Å; Y161-L163 HydrophobicContact CD2-CD2 4Å; Y161-L163 HydrophobicContact CD2-CG 3.85Å; Y161-L163 HydrophobicContact CE2-CD1 4.26Å; Y161-L163 HydrophobicContact CE2-CD2 3.98Å; Y161-L163 HydrophobicContact CE2-CG 3.87Å; Y161-L163 PolarHBondContact O-N 3.07Å |
| 162 | I | 65.4 | Low | 60.1 | Low | 161 Ų | 161 | 167.6 Ų | 167.6 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -62.4 | 101.4 | 165.5 | -62.9 | 167.7 | 0 | 0 | 0 | 103.3 | P160 K164 | P160-I162 PolarHBondContact O-N 3.06Å; I162-K164 VanDerWaalsContact C-N 3.27Å; I162-K164 PolarHBondContact O-N 2.85Å | ||
| 163 | L | 62.8 | Low | 60 | Low | 132 Ų | 132 | 170.9 Ų | 170.9 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -54.8 | 104.1 | 163.1 | -76.7 | 164.9 | 0 | 0 | 0 | 104.6 | Y161 R165 | Y161-L163 HydrophobicContact CD2-CD2 4Å; Y161-L163 HydrophobicContact CD2-CG 3.85Å; Y161-L163 HydrophobicContact CE2-CD1 4.26Å; Y161-L163 HydrophobicContact CE2-CD2 3.98Å; Y161-L163 HydrophobicContact CE2-CG 3.87Å; Y161-L163 PolarHBondContact O-N 3.07Å; L163-R165 VanDerWaalsContact C-N 3.26Å; L163-R165 PolarHBondContact O-N 2.84Å | ||
| 164 | K | 57.6 | Low | 59.9 | Low | 178 Ų | 178 | 172.4 Ų | 172.4 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -55.1 | 105.5 | 161.2 | -99.6 | -173.7 | 173.5 | -177.2 | 0 | 104.3 | I162 D166 | I162-K164 VanDerWaalsContact C-N 3.27Å; I162-K164 PolarHBondContact O-N 2.85Å; K164-D166 PolarHBondContact O-N 2.89Å | ||
| 165 | R | 59.7 | Low | 59.9 | Low | 235 Ų | 235 | 175.9 Ų | 175.9 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -67.2 | 90 | 163.9 | -73.7 | -177.6 | 178.9 | 122.6 | -2.6 | 104.6 | L163 S167 | L163-R165 VanDerWaalsContact C-N 3.26Å; L163-R165 PolarHBondContact O-N 2.84Å; R165-S167 VanDerWaalsContact C-N 3.25Å; R165-S167 PolarHBondContact O-N 2.9Å | ||
| 166 | D | 55.2 | Low | 60 | Low | 127 Ų | 127 | 178.7 Ų | 178.7 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | trans | -66.6 | 99.4 | 157.8 | -70.5 | -26.7 | 0 | 0 | 0 | 104.9 | K164 Y168 | K164-D166 PolarHBondContact O-N 2.89Å; D166-Y168 HydrophobicContact CB-CD2 4.44Å; D166-Y168 PolarHBondContact O-N 3.03Å | ||
| 167 | S | 60.6 | Low | 60 | Low | 117 Ų | 117 | 181.8 Ų | 181.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -71.3 | 82.3 | 173.3 | 56.6 | 0 | 0 | 0 | 0 | 108.2 | R165 | R165-S167 VanDerWaalsContact C-N 3.25Å; R165-S167 PolarHBondContact O-N 2.9Å | ||
| 168 | Y | 57.9 | Low | 59.8 | Low | 182 Ų | 182 | 186.5 Ų | 186.5 | 71% | 0.714 | 82% | 0.822 | S | S | * | * | trans | -101.4 | 118.4 | 165 | -96.6 | -90.3 | 0 | 0 | 0 | 108.7 | D166 | D166-Y168 HydrophobicContact CB-CD2 4.44Å; D166-Y168 PolarHBondContact O-N 3.03Å | ||
| 169 | Y | 49 | Very low | 59.3 | Low | 209 Ų | 209 | 182 Ų | 182 | 82% | 0.82 | 81% | 0.814 | S | S | * | * | trans | 82.6 | 89.5 | 170.4 | -49.6 | -73.6 | 0 | 0 | 0 | 117.7 | ||||
| 170 | Y | 48.3 | Very low | 58.4 | Low | 307 Ų | 307 | 177.2 Ų | 177.2 | 100% | 1.204 | 81% | 0.808 | S | S | * | * | -162.9 | 0 | 106.8 | -141.9 | -92.1 | 0 | 0 | 0 | 110.5 |
Retrieved 170 of 170 residues in 1019.8 ms
(Link to these results)