| 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 | 46.5 | Very low | 70.1 | Confident | 188 Ų | 188 | 120.4 Ų | 120.4 | 93% | 0.926 | 60% | 0.596 | S | S | * | * | 0 | 122.9 | 0 | -70 | -96.4 | -71.5 | 0 | 0 | 106.9 | |||||
| 2 | P | 51.5 | Low | 71.3 | Confident | 65 Ų | 65 | 115.4 Ų | 115.4 | 42% | 0.422 | 58% | 0.582 | S | S | . | * | trans | -71.6 | 144.7 | 176.2 | 29.8 | -30.9 | 0 | 0 | 0 | 110.4 | E4 E5 | P2-E4 PolarHBondContact O-N 2.63Å; P2-E4 VanDerWaalsContact O-N 3.16Å; P2-E5 WeakPolarHBondContact CD-OE2 3.38Å; P2-E5 HydrophobicContact CG-CB 4.39Å; P2-E5 HydrophobicContact CG-CG 3.99Å; P2-E5 WeakPolarHBondContact CG-OE2 3.41Å; P2-E5 PolarHBondContact O-N 3.05Å | ||
| 3 | P | 62 | Low | 72.6 | Confident | 102 Ų | 102 | 114.3 Ų | 114.3 | 66% | 0.662 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.1 | -12.8 | -171.8 | 26.4 | -35 | 0 | 0 | 0 | 114.9 | N7 | P3-N7 PolarHBondContact O-N 3.39Å |
| 4 | E | 63.6 | Low | 73.6 | Confident | 161 Ų | 161 | 113.6 Ų | 113.6 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -81.7 | -39.5 | -179.7 | -68.1 | -178.9 | 163.7 | 0 | 0 | 112.6 | P2 E6 N7 E8 | P2-E4 PolarHBondContact O-N 2.63Å; P2-E4 VanDerWaalsContact O-N 3.16Å; E4-E6 VanDerWaalsContact C-N 3.34Å; E4-E6 PolarHBondContact O-N 3.25Å; E4-N7 WeakPolarHBondContact O-CB 3.22Å; E4-N7 PolarHBondContact O-N 2.78Å; E4-E8 PolarHBondContact O-N 2.97Å |
| 5 | E | 69.1 | Low | 74.7 | Confident | 121 Ų | 121 | 115.3 Ų | 115.3 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.6 | -34.9 | 176.9 | -69 | 175.1 | 173.9 | 0 | 0 | 111.8 | P2 N7 E8 L9 | P2-E5 WeakPolarHBondContact CD-OE2 3.38Å; P2-E5 HydrophobicContact CG-CB 4.39Å; P2-E5 HydrophobicContact CG-CG 3.99Å; P2-E5 WeakPolarHBondContact CG-OE2 3.41Å; P2-E5 PolarHBondContact O-N 3.05Å; E5-N7 VanDerWaalsContact C-N 3.33Å; E5-E8 PolarHBondContact O-N 3.32Å; E5-L9 PolarHBondContact O-N 2.87Å; E5-L9 VanDerWaalsContact O-N 3.14Å |
| 6 | E | 73.8 | Confident | 75.6 | Confident | 105 Ų | 105 | 115.1 Ų | 115.1 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.3 | -32.7 | 175.1 | -166.1 | 170.3 | -170 | 0 | 0 | 111.7 | E4 L10 | E4-E6 VanDerWaalsContact C-N 3.34Å; E4-E6 PolarHBondContact O-N 3.25Å; E6-L10 HydrophobicContact CG-CD1 4.48Å; E6-L10 WeakPolarHBondContact O-CB 3.44Å; E6-L10 VanDerWaalsContact O-CG 3.24Å; E6-L10 WeakPolarHBondContact O-CG 3.28Å; E6-L10 PolarHBondContact O-N 3.36Å |
| 7 | N | 77 | Confident | 76.5 | Confident | 79 Ų | 79 | 112.3 Ų | 112.3 | 42% | 0.422 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.7 | -39.6 | 176.4 | -143.7 | -77.7 | 0 | 0 | 0 | 112.1 | P3 E4 E5 R11 | P3-N7 PolarHBondContact O-N 3.39Å; E4-N7 WeakPolarHBondContact O-CB 3.22Å; E4-N7 PolarHBondContact O-N 2.78Å; E5-N7 VanDerWaalsContact C-N 3.33Å; N7-R11 VanDerWaalsContact O-CG 3.26Å; N7-R11 WeakPolarHBondContact O-CG 3.22Å; N7-R11 PolarHBondContact O-N 3.44Å; N7-R11 PolarHBondContact OD1-NE 3.49Å; N7-R11 VanDerWaalsContact OD1-NE 3.15Å |
| 8 | E | 79.6 | Confident | 77.3 | Confident | 145 Ų | 145 | 110.5 Ų | 110.5 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.2 | -40 | 175.9 | -72.4 | -168 | 160.1 | 0 | 0 | 112.3 | E4 E5 R11 S12 | E4-E8 PolarHBondContact O-N 2.97Å; E5-E8 PolarHBondContact O-N 3.32Å; E8-R11 PolarHBondContact O-N 3.4Å; E8-S12 PolarHBondContact O-N 2.53Å |
| 9 | L | 82.1 | Confident | 78.1 | Confident | 97 Ų | 97 | 109.4 Ų | 109.4 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.6 | -164 | 90.4 | 0 | 0 | 0 | 112 | E5 R11 S12 Q13 | E5-L9 PolarHBondContact O-N 2.87Å; E5-L9 VanDerWaalsContact O-N 3.14Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 2.79Å; L9-S12 PolarHBondContact O-N 3.35Å; L9-S12 PolarHBondContact O-OG 2.91Å; L9-Q13 WeakPolarHBondContact O-CB 3.47Å; L9-Q13 VanDerWaalsContact O-CG 3.28Å; L9-Q13 WeakPolarHBondContact O-CG 3.28Å; L9-Q13 PolarHBondContact O-N 3.43Å |
| 10 | L | 82.1 | Confident | 78.8 | Confident | 99 Ų | 99 | 109.2 Ų | 109.2 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 176 | -74.1 | 169.4 | 0 | 0 | 0 | 111.9 | E6 L14 | E6-L10 HydrophobicContact CG-CD1 4.48Å; E6-L10 WeakPolarHBondContact O-CB 3.44Å; E6-L10 VanDerWaalsContact O-CG 3.24Å; E6-L10 WeakPolarHBondContact O-CG 3.28Å; E6-L10 PolarHBondContact O-N 3.36Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 PolarHBondContact O-N 2.81Å |
| 11 | R | 84.3 | Confident | 79.4 | Confident | 162 Ų | 162 | 106.8 Ų | 106.8 | 61% | 0.611 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.2 | -38.4 | 174.7 | -73.5 | 173.3 | -173.8 | -163.1 | -1.2 | 112.5 | N7 E8 L9 K15 | N7-R11 VanDerWaalsContact O-CG 3.26Å; N7-R11 WeakPolarHBondContact O-CG 3.22Å; N7-R11 PolarHBondContact O-N 3.44Å; N7-R11 PolarHBondContact OD1-NE 3.49Å; N7-R11 VanDerWaalsContact OD1-NE 3.15Å; E8-R11 PolarHBondContact O-N 3.4Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 2.79Å; R11-K15 WeakPolarHBondContact O-CG 3.43Å; R11-K15 PolarHBondContact O-N 2.78Å; R11-K15 VanDerWaalsContact O-N 3.11Å |
| 12 | S | 84.8 | Confident | 81.7 | Confident | 61 Ų | 61 | 104.8 Ų | 104.8 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 175.6 | 69.3 | 0 | 0 | 0 | 0 | 111.4 | E8 L9 K15 E16 | E8-S12 PolarHBondContact O-N 2.53Å; L9-S12 PolarHBondContact O-N 3.35Å; L9-S12 PolarHBondContact O-OG 2.91Å; S12-K15 PolarHBondContact O-N 3.33Å; S12-E16 WeakPolarHBondContact O-CB 3.25Å; S12-E16 PolarHBondContact O-N 3.42Å |
| 13 | Q | 87.8 | Confident | 83.7 | Confident | 101 Ų | 101 | 109.1 Ų | 109.1 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 175.2 | -74 | 175.7 | 1.6 | 0 | 0 | 112.4 | L9 E16 S17 | L9-Q13 WeakPolarHBondContact O-CB 3.47Å; L9-Q13 VanDerWaalsContact O-CG 3.28Å; L9-Q13 WeakPolarHBondContact O-CG 3.28Å; L9-Q13 PolarHBondContact O-N 3.43Å; Q13-E16 PolarHBondContact O-N 2.8Å; Q13-S17 VanDerWaalsContact O-CB 3.31Å; Q13-S17 WeakPolarHBondContact O-CB 3.33Å; Q13-S17 PolarHBondContact O-N 3.39Å |
| 14 | L | 86.6 | Confident | 85.3 | Confident | 104 Ų | 104 | 107.3 Ų | 107.3 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 174.7 | -175.3 | 68.8 | 0 | 0 | 0 | 111.4 | L10 S17 E18 | L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 PolarHBondContact O-N 2.81Å; L14-S17 PolarHBondContact O-N 3.36Å; L14-E18 WeakPolarHBondContact O-CB 3.48Å; L14-E18 WeakPolarHBondContact O-CG 3.35Å; L14-E18 PolarHBondContact O-N 3.26Å |
| 15 | K | 89.8 | Confident | 86.7 | Confident | 140 Ų | 140 | 102.7 Ų | 102.7 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -44.7 | 176 | -77.2 | -179.4 | 179.7 | -177.9 | 0 | 112.1 | R11 S12 E18 E19 | R11-K15 WeakPolarHBondContact O-CG 3.43Å; R11-K15 PolarHBondContact O-N 2.78Å; R11-K15 VanDerWaalsContact O-N 3.11Å; S12-K15 PolarHBondContact O-N 3.33Å; K15-E18 PolarHBondContact O-N 3.5Å; K15-E19 WeakPolarHBondContact O-CG 3.34Å; K15-E19 PolarHBondContact O-N 3.37Å |
| 16 | E | 90.1 | Very high | 87.9 | Confident | 112 Ų | 112 | 102.9 Ų | 102.9 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 177.6 | -168.7 | 179.1 | 178.4 | 0 | 0 | 111.3 | S12 Q13 E18 E19 Q20 | S12-E16 WeakPolarHBondContact O-CB 3.25Å; S12-E16 PolarHBondContact O-N 3.42Å; Q13-E16 PolarHBondContact O-N 2.8Å; E16-E18 PolarHBondContact O-N 2.88Å; E16-E19 PolarHBondContact O-N 3.43Å; E16-Q20 WeakPolarHBondContact O-CB 3.36Å; E16-Q20 VanDerWaalsContact O-CG 3.25Å; E16-Q20 WeakPolarHBondContact O-CG 3.28Å; E16-Q20 PolarHBondContact O-N 3.38Å |
| 17 | S | 90.6 | Very high | 88.9 | Confident | 67 Ų | 67 | 100.4 Ų | 100.4 | 47% | 0.469 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 174 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | Q13 L14 A21 | Q13-S17 VanDerWaalsContact O-CB 3.31Å; Q13-S17 WeakPolarHBondContact O-CB 3.33Å; Q13-S17 PolarHBondContact O-N 3.39Å; L14-S17 PolarHBondContact O-N 3.36Å; S17-A21 VanDerWaalsContact O-CB 3.28Å; S17-A21 WeakPolarHBondContact O-CB 3.37Å; S17-A21 PolarHBondContact O-N 2.83Å |
| 18 | E | 90.6 | Very high | 89.8 | Confident | 80 Ų | 80 | 98.4 Ų | 98.4 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 175.1 | -78 | -177 | -167.7 | 0 | 0 | 111.9 | L14 K15 E16 A21 R22 | L14-E18 WeakPolarHBondContact O-CB 3.48Å; L14-E18 WeakPolarHBondContact O-CG 3.35Å; L14-E18 PolarHBondContact O-N 3.26Å; K15-E18 PolarHBondContact O-N 3.5Å; E16-E18 PolarHBondContact O-N 2.88Å; E18-A21 PolarHBondContact O-N 3.41Å; E18-R22 WeakPolarHBondContact O-CB 3.45Å; E18-R22 VanDerWaalsContact O-CG 3.26Å; E18-R22 WeakPolarHBondContact O-CG 3.24Å; E18-R22 PolarHBondContact O-N 3.29Å; E18-R22 IonicContact OE2-CZ 3.83Å; E18-R22 IonicContact OE2-NH1 2.64Å; E18-R22 PolarHBondContact OE2-NH1 2.85Å; E18-R22 IonicContact OE2-NH2 3.86Å; E18-R22 PolarHBondContact OE2-NH2 3.42Å |
| 19 | E | 92.6 | Very high | 90.6 | Very high | 90 Ų | 90 | 95.9 Ų | 95.9 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 174.5 | -76.6 | -177.8 | -160.2 | 0 | 0 | 111.9 | K15 E16 A21 R22 R23 | K15-E19 WeakPolarHBondContact O-CG 3.34Å; K15-E19 PolarHBondContact O-N 3.37Å; E16-E19 PolarHBondContact O-N 3.43Å; E19-A21 VanDerWaalsContact C-N 3.35Å; E19-R22 PolarHBondContact O-N 2.84Å; E19-R23 WeakPolarHBondContact O-CB 3.39Å; E19-R23 VanDerWaalsContact O-CG 3.28Å; E19-R23 WeakPolarHBondContact O-CG 3.43Å; E19-R23 PolarHBondContact O-N 2.97Å; E19-R23 IonicContact OE2-NH2 3.45Å; E19-R23 PolarHBondContact OE2-NH2 3.29Å |
| 20 | Q | 92.1 | Very high | 91.3 | Very high | 104 Ų | 104 | 94.4 Ų | 94.4 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 172.9 | -72.2 | 175.2 | 11.3 | 0 | 0 | 111.1 | E16 R23 A24 | E16-Q20 WeakPolarHBondContact O-CB 3.36Å; E16-Q20 VanDerWaalsContact O-CG 3.25Å; E16-Q20 WeakPolarHBondContact O-CG 3.28Å; E16-Q20 PolarHBondContact O-N 3.38Å; Q20-R23 PolarHBondContact O-N 2.9Å; Q20-A24 WeakPolarHBondContact O-CB 3.44Å; Q20-A24 PolarHBondContact O-N 3.19Å |
| 21 | A | 92.3 | Very high | 92 | Very high | 59 Ų | 59 | 95 Ų | 95 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S17 E18 E19 A24 A25 | S17-A21 VanDerWaalsContact O-CB 3.28Å; S17-A21 WeakPolarHBondContact O-CB 3.37Å; S17-A21 PolarHBondContact O-N 2.83Å; E18-A21 PolarHBondContact O-N 3.41Å; E19-A21 VanDerWaalsContact C-N 3.35Å; A21-A24 PolarHBondContact O-N 3.44Å; A21-A25 VanDerWaalsContact O-CB 3.29Å; A21-A25 WeakPolarHBondContact O-CB 3.4Å; A21-A25 PolarHBondContact O-N 3.2Å |
| 22 | R | 93.1 | Very high | 92.6 | Very high | 147 Ų | 147 | 91.7 Ų | 91.7 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 174.1 | -75 | 177.4 | -168.2 | 110.4 | 9.8 | 111.5 | E18 E19 A25 Q26 | E18-R22 WeakPolarHBondContact O-CB 3.45Å; E18-R22 VanDerWaalsContact O-CG 3.26Å; E18-R22 WeakPolarHBondContact O-CG 3.24Å; E18-R22 PolarHBondContact O-N 3.29Å; E18-R22 IonicContact OE2-CZ 3.83Å; E18-R22 IonicContact OE2-NH1 2.64Å; E18-R22 PolarHBondContact OE2-NH1 2.85Å; E18-R22 IonicContact OE2-NH2 3.86Å; E18-R22 PolarHBondContact OE2-NH2 3.42Å; E19-R22 PolarHBondContact O-N 2.84Å; R22-A25 PolarHBondContact O-N 2.91Å; R22-Q26 WeakPolarHBondContact O-CB 3.45Å; R22-Q26 PolarHBondContact O-N 3.47Å |
| 23 | R | 94.4 | Very high | 93.2 | Very high | 155 Ų | 155 | 93.8 Ų | 93.8 | 59% | 0.585 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 176.9 | -70.5 | 176.1 | -156.1 | 156.9 | 10.1 | 111.8 | E19 Q20 Q26 A27 | E19-R23 WeakPolarHBondContact O-CB 3.39Å; E19-R23 VanDerWaalsContact O-CG 3.28Å; E19-R23 WeakPolarHBondContact O-CG 3.43Å; E19-R23 PolarHBondContact O-N 2.97Å; E19-R23 IonicContact OE2-NH2 3.45Å; E19-R23 PolarHBondContact OE2-NH2 3.29Å; Q20-R23 PolarHBondContact O-N 2.9Å; R23-Q26 PolarHBondContact O-N 2.82Å; R23-A27 WeakPolarHBondContact O-CB 3.3Å; R23-A27 PolarHBondContact O-N 2.86Å |
| 24 | A | 94.7 | Very high | 93.6 | Very high | 64 Ų | 64 | 94.2 Ų | 94.2 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q20 A21 Q26 A27 G28 | Q20-A24 WeakPolarHBondContact O-CB 3.44Å; Q20-A24 PolarHBondContact O-N 3.19Å; A21-A24 PolarHBondContact O-N 3.44Å; A24-Q26 VanDerWaalsContact C-N 3.35Å; A24-A27 PolarHBondContact O-N 3.22Å; A24-G28 PolarHBondContact O-N 2.74Å |
| 25 | A | 93.9 | Very high | 94.1 | Very high | 64 Ų | 64 | 95.2 Ų | 95.2 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A21 R22 G28 L29 | A21-A25 VanDerWaalsContact O-CB 3.29Å; A21-A25 WeakPolarHBondContact O-CB 3.4Å; A21-A25 PolarHBondContact O-N 3.2Å; R22-A25 PolarHBondContact O-N 2.91Å; A25-G28 PolarHBondContact O-N 3.44Å; A25-L29 WeakPolarHBondContact O-CB 3.43Å; A25-L29 PolarHBondContact O-N 3.4Å |
| 26 | Q | 94 | Very high | 94.4 | Very high | 125 Ų | 125 | 92.5 Ų | 92.5 | 58% | 0.584 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.5 | -44.5 | 176.2 | -171.1 | 166.6 | 4.3 | 0 | 0 | 111.9 | R22 R23 A24 G28 L29 D30 | R22-Q26 WeakPolarHBondContact O-CB 3.45Å; R22-Q26 PolarHBondContact O-N 3.47Å; R23-Q26 PolarHBondContact O-N 2.82Å; A24-Q26 VanDerWaalsContact C-N 3.35Å; Q26-G28 VanDerWaalsContact C-N 3.31Å; Q26-G28 PolarHBondContact O-N 3.41Å; Q26-L29 PolarHBondContact O-N 2.97Å; Q26-D30 PolarHBondContact O-N 3.23Å |
| 27 | A | 94.9 | Very high | 94.7 | Very high | 53 Ų | 53 | 91.7 Ų | 91.7 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R23 A24 D30 L31 | R23-A27 WeakPolarHBondContact O-CB 3.3Å; R23-A27 PolarHBondContact O-N 2.86Å; A24-A27 PolarHBondContact O-N 3.22Å; A27-D30 PolarHBondContact O-N 3.01Å; A27-L31 WeakPolarHBondContact O-CB 3.48Å; A27-L31 VanDerWaalsContact O-CG 3.32Å; A27-L31 WeakPolarHBondContact O-CG 3.41Å; A27-L31 PolarHBondContact O-N 3.04Å |
| 28 | G | 96.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 93.3 Ų | 93.3 | 38% | 0.381 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A24 A25 Q26 L32 | A24-G28 PolarHBondContact O-N 2.74Å; A25-G28 PolarHBondContact O-N 3.44Å; Q26-G28 VanDerWaalsContact C-N 3.31Å; Q26-G28 PolarHBondContact O-N 3.41Å; G28-L32 WeakPolarHBondContact O-CB 3.48Å; G28-L32 PolarHBondContact O-N 3.43Å |
| 29 | L | 96.7 | Very high | 95.3 | Very high | 92 Ų | 92 | 94 Ų | 94 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 175.6 | -174 | 122.1 | 0 | 0 | 0 | 112 | A25 Q26 L32 K33 | A25-L29 WeakPolarHBondContact O-CB 3.43Å; A25-L29 PolarHBondContact O-N 3.4Å; Q26-L29 PolarHBondContact O-N 2.97Å; L29-L32 PolarHBondContact O-N 2.79Å; L29-K33 HydrophobicContact CD2-CD 4.34Å; L29-K33 VanDerWaalsContact CD2-CE 3.45Å; L29-K33 WeakPolarHBondContact O-CG 3.33Å; L29-K33 PolarHBondContact O-N 3.17Å |
| 30 | D | 96.4 | Very high | 95.6 | Very high | 67 Ų | 67 | 95.2 Ų | 95.2 | 36% | 0.358 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 176.8 | -69 | -22.8 | 0 | 0 | 0 | 111.7 | Q26 A27 L32 K33 Q34 | Q26-D30 PolarHBondContact O-N 3.23Å; A27-D30 PolarHBondContact O-N 3.01Å; D30-L32 VanDerWaalsContact C-N 3.34Å; D30-K33 PolarHBondContact O-N 2.89Å; D30-K33 IonicContact OD1-NZ 2.85Å; D30-Q34 WeakPolarHBondContact O-CG 3.49Å; D30-Q34 PolarHBondContact O-N 2.86Å |
| 31 | L | 97.1 | Very high | 95.8 | Very high | 110 Ų | 110 | 96.7 Ų | 96.7 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.6 | -40.3 | 171 | -76.6 | 170.6 | 0 | 0 | 0 | 111.9 | A27 Q34 Q35 | A27-L31 WeakPolarHBondContact O-CB 3.48Å; A27-L31 VanDerWaalsContact O-CG 3.32Å; A27-L31 WeakPolarHBondContact O-CG 3.41Å; A27-L31 PolarHBondContact O-N 3.04Å; L31-Q34 PolarHBondContact O-N 3.47Å; L31-Q35 WeakPolarHBondContact O-CB 3.36Å; L31-Q35 PolarHBondContact O-N 3.09Å |
| 32 | L | 97.2 | Very high | 96.1 | Very high | 94 Ų | 94 | 98.4 Ų | 98.4 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 177.2 | -170.6 | 139.7 | 0 | 0 | 0 | 111.2 | G28 L29 D30 Q34 Q35 D36 | G28-L32 WeakPolarHBondContact O-CB 3.48Å; G28-L32 PolarHBondContact O-N 3.43Å; L29-L32 PolarHBondContact O-N 2.79Å; D30-L32 VanDerWaalsContact C-N 3.34Å; L32-Q34 PolarHBondContact O-N 3.06Å; L32-Q35 WeakPolarHBondContact O-CB 3.33Å; L32-Q35 PolarHBondContact O-N 2.84Å; L32-D36 WeakPolarHBondContact CD2-OD2 3.42Å; L32-D36 VanDerWaalsContact O-CG 3.26Å; L32-D36 PolarHBondContact O-N 2.9Å |
| 33 | K | 96.7 | Very high | 96.2 | Very high | 105 Ų | 105 | 96.2 Ų | 96.2 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 172.7 | -71.9 | 173.1 | -176.7 | 166.9 | 0 | 112.8 | L29 D30 Q35 D36 E37 | L29-K33 HydrophobicContact CD2-CD 4.34Å; L29-K33 VanDerWaalsContact CD2-CE 3.45Å; L29-K33 WeakPolarHBondContact O-CG 3.33Å; L29-K33 PolarHBondContact O-N 3.17Å; D30-K33 PolarHBondContact O-N 2.89Å; D30-K33 IonicContact OD1-NZ 2.85Å; K33-Q35 VanDerWaalsContact C-N 3.29Å; K33-Q35 PolarHBondContact O-N 2.95Å; K33-D36 PolarHBondContact O-N 2.67Å; K33-E37 WeakPolarHBondContact O-CG 3.42Å; K33-E37 PolarHBondContact O-N 2.94Å |
| 34 | Q | 96.8 | Very high | 96.4 | Very high | 109 Ų | 109 | 93.7 Ų | 93.7 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 176.1 | -73.3 | 176.3 | -0.6 | 0 | 0 | 111.8 | D30 L31 L32 L38 | D30-Q34 WeakPolarHBondContact O-CG 3.49Å; D30-Q34 PolarHBondContact O-N 2.86Å; L31-Q34 PolarHBondContact O-N 3.47Å; L32-Q34 PolarHBondContact O-N 3.06Å; Q34-L38 WeakPolarHBondContact O-CB 3.38Å; Q34-L38 VanDerWaalsContact O-CG 3.3Å; Q34-L38 WeakPolarHBondContact O-CG 3.48Å; Q34-L38 PolarHBondContact O-N 3.36Å |
| 35 | Q | 96.4 | Very high | 96.5 | Very high | 125 Ų | 125 | 96.2 Ų | 96.2 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -44.2 | 174.2 | -177.5 | 178.4 | -9.9 | 0 | 0 | 111 | L31 L32 K33 L38 Q39 | L31-Q35 WeakPolarHBondContact O-CB 3.36Å; L31-Q35 PolarHBondContact O-N 3.09Å; L32-Q35 WeakPolarHBondContact O-CB 3.33Å; L32-Q35 PolarHBondContact O-N 2.84Å; K33-Q35 VanDerWaalsContact C-N 3.29Å; K33-Q35 PolarHBondContact O-N 2.95Å; Q35-L38 PolarHBondContact O-N 3.37Å; Q35-Q39 WeakPolarHBondContact O-CB 3.48Å; Q35-Q39 PolarHBondContact O-N 3.08Å |
| 36 | D | 96.3 | Very high | 96.6 | Very high | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 176.8 | -67 | -21.4 | 0 | 0 | 0 | 111.3 | L32 K33 L38 Q39 E40 | L32-D36 WeakPolarHBondContact CD2-OD2 3.42Å; L32-D36 VanDerWaalsContact O-CG 3.26Å; L32-D36 PolarHBondContact O-N 2.9Å; K33-D36 PolarHBondContact O-N 2.67Å; D36-L38 PolarHBondContact O-N 2.89Å; D36-Q39 PolarHBondContact O-N 2.93Å; D36-E40 PolarHBondContact O-N 3.16Å |
| 37 | E | 97 | Very high | 96.8 | Very high | 95 Ų | 95 | 99.7 Ų | 99.7 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.5 | -73.9 | 178.1 | -160.6 | 0 | 0 | 112.9 | K33 Q39 E40 R41 | K33-E37 WeakPolarHBondContact O-CG 3.42Å; K33-E37 PolarHBondContact O-N 2.94Å; E37-Q39 VanDerWaalsContact C-N 3.3Å; E37-E40 PolarHBondContact O-N 3.33Å; E37-R41 WeakPolarHBondContact O-CG 3.26Å; E37-R41 PolarHBondContact O-N 3.47Å; E37-R41 IonicContact OE2-NH2 3.24Å |
| 38 | L | 97.2 | Very high | 96.9 | Very high | 101 Ų | 101 | 103.5 Ų | 103.5 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 176 | -75.3 | 174.4 | 0 | 0 | 0 | 111.2 | Q34 Q35 D36 L42 | Q34-L38 WeakPolarHBondContact O-CB 3.38Å; Q34-L38 VanDerWaalsContact O-CG 3.3Å; Q34-L38 WeakPolarHBondContact O-CG 3.48Å; Q34-L38 PolarHBondContact O-N 3.36Å; Q35-L38 PolarHBondContact O-N 3.37Å; D36-L38 PolarHBondContact O-N 2.89Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 WeakPolarHBondContact O-CG 3.31Å; L38-L42 PolarHBondContact O-N 3.48Å |
| 39 | Q | 96.6 | Very high | 97 | Very high | 95 Ų | 95 | 107.6 Ų | 107.6 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 176.1 | -173.1 | 173.9 | -26.8 | 0 | 0 | 111.1 | Q35 D36 E37 R41 L42 E43 | Q35-Q39 WeakPolarHBondContact O-CB 3.48Å; Q35-Q39 PolarHBondContact O-N 3.08Å; D36-Q39 PolarHBondContact O-N 2.93Å; E37-Q39 VanDerWaalsContact C-N 3.3Å; Q39-R41 PolarHBondContact O-N 3.45Å; Q39-L42 PolarHBondContact O-N 3.03Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.41Å; Q39-E43 PolarHBondContact NE2-OE1 2.93Å; Q39-E43 WeakPolarHBondContact O-CG 3.45Å; Q39-E43 PolarHBondContact O-N 2.86Å |
| 40 | E | 97.1 | Very high | 97 | Very high | 116 Ų | 116 | 106.4 Ų | 106.4 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 175 | -171.8 | 174.2 | -159.3 | 0 | 0 | 111.1 | D36 E37 L42 E43 E44 | D36-E40 PolarHBondContact O-N 3.16Å; E37-E40 PolarHBondContact O-N 3.33Å; E40-L42 VanDerWaalsContact C-N 3.33Å; E40-L42 PolarHBondContact O-N 3.16Å; E40-E43 WeakPolarHBondContact O-CB 3.27Å; E40-E43 PolarHBondContact O-N 3.25Å; E40-E43 VanDerWaalsContact O-N 3.11Å; E40-E44 WeakPolarHBondContact O-CG 3.42Å; E40-E44 PolarHBondContact O-N 3.5Å |
| 41 | R | 97.5 | Very high | 97.1 | Very high | 134 Ų | 134 | 107.5 Ų | 107.5 | 51% | 0.506 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 175.9 | -71.4 | 178.2 | -167.3 | 147.2 | 15.4 | 113.2 | E37 Q39 E43 Q45 | E37-R41 WeakPolarHBondContact O-CG 3.26Å; E37-R41 PolarHBondContact O-N 3.47Å; E37-R41 IonicContact OE2-NH2 3.24Å; Q39-R41 PolarHBondContact O-N 3.45Å; R41-E43 VanDerWaalsContact C-N 3.35Å; R41-Q45 WeakPolarHBondContact O-CB 3.41Å; R41-Q45 WeakPolarHBondContact O-CG 3.33Å; R41-Q45 PolarHBondContact O-N 3.4Å |
| 42 | L | 97.2 | Very high | 97.1 | Very high | 96 Ų | 96 | 104.6 Ų | 104.6 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 175.7 | -79 | 172.1 | 0 | 0 | 0 | 111.5 | L38 Q39 E40 R46 | L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 WeakPolarHBondContact O-CG 3.31Å; L38-L42 PolarHBondContact O-N 3.48Å; Q39-L42 PolarHBondContact O-N 3.03Å; E40-L42 VanDerWaalsContact C-N 3.33Å; E40-L42 PolarHBondContact O-N 3.16Å; L42-R46 WeakPolarHBondContact O-CB 3.42Å; L42-R46 WeakPolarHBondContact O-CG 3.41Å; L42-R46 PolarHBondContact O-N 2.96Å |
| 43 | E | 97 | Very high | 97.1 | Very high | 100 Ų | 100 | 105.1 Ų | 105.1 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 174.8 | -72.8 | 174.2 | -167.2 | 0 | 0 | 111 | Q39 E40 R41 Q45 R46 V47 | Q39-E43 WeakPolarHBondContact CG-OE1 3.41Å; Q39-E43 PolarHBondContact NE2-OE1 2.93Å; Q39-E43 WeakPolarHBondContact O-CG 3.45Å; Q39-E43 PolarHBondContact O-N 2.86Å; E40-E43 WeakPolarHBondContact O-CB 3.27Å; E40-E43 PolarHBondContact O-N 3.25Å; E40-E43 VanDerWaalsContact O-N 3.11Å; R41-E43 VanDerWaalsContact C-N 3.35Å; E43-Q45 PolarHBondContact O-N 2.82Å; E43-R46 WeakPolarHBondContact O-CB 3.42Å; E43-R46 PolarHBondContact O-N 3.44Å; E43-V47 WeakPolarHBondContact O-CG2 3.42Å; E43-V47 PolarHBondContact O-N 3.46Å |
| 44 | E | 97.1 | Very high | 97.1 | Very high | 103 Ų | 103 | 104.8 Ų | 104.8 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56 | -51.1 | 172.8 | -72.2 | 175.5 | 161.1 | 0 | 0 | 111.5 | E40 R46 V47 E48 | E40-E44 WeakPolarHBondContact O-CG 3.42Å; E40-E44 PolarHBondContact O-N 3.5Å; E44-R46 VanDerWaalsContact C-N 3.28Å; E44-R46 PolarHBondContact O-N 3.42Å; E44-V47 PolarHBondContact O-N 2.71Å; E44-V47 VanDerWaalsContact O-N 3.11Å; E44-E48 WeakPolarHBondContact O-CG 3.35Å; E44-E48 PolarHBondContact O-N 2.99Å |
| 45 | Q | 97.3 | Very high | 97.2 | Very high | 116 Ų | 116 | 101.7 Ų | 101.7 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 177.4 | -76 | -176.7 | -12.8 | 0 | 0 | 112.5 | R41 E43 M49 | R41-Q45 WeakPolarHBondContact O-CB 3.41Å; R41-Q45 WeakPolarHBondContact O-CG 3.33Å; R41-Q45 PolarHBondContact O-N 3.4Å; E43-Q45 PolarHBondContact O-N 2.82Å; Q45-M49 WeakPolarHBondContact O-CB 3.38Å; Q45-M49 WeakPolarHBondContact O-CG 3.33Å; Q45-M49 PolarHBondContact O-N 2.89Å |
| 46 | R | 96.8 | Very high | 97.2 | Very high | 178 Ų | 178 | 101.2 Ų | 101.2 | 67% | 0.672 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 175.3 | -77.5 | 171.6 | 179.3 | -158.2 | 2.1 | 111.6 | L42 E43 E44 T50 | L42-R46 WeakPolarHBondContact O-CB 3.42Å; L42-R46 WeakPolarHBondContact O-CG 3.41Å; L42-R46 PolarHBondContact O-N 2.96Å; E43-R46 WeakPolarHBondContact O-CB 3.42Å; E43-R46 PolarHBondContact O-N 3.44Å; E44-R46 VanDerWaalsContact C-N 3.28Å; E44-R46 PolarHBondContact O-N 3.42Å; R46-T50 WeakPolarHBondContact O-CB 3.39Å; R46-T50 PolarHBondContact O-N 2.9Å; R46-T50 PolarHBondContact O-OG1 3.34Å |
| 47 | V | 97.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 102.5 Ų | 102.5 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 176.9 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | E43 E44 M49 T50 N51 | E43-V47 WeakPolarHBondContact O-CG2 3.42Å; E43-V47 PolarHBondContact O-N 3.46Å; E44-V47 PolarHBondContact O-N 2.71Å; E44-V47 VanDerWaalsContact O-N 3.11Å; V47-M49 PolarHBondContact O-N 3.47Å; V47-T50 PolarHBondContact O-N 2.83Å; V47-N51 WeakPolarHBondContact O-CB 3.49Å; V47-N51 PolarHBondContact O-N 3.21Å; V47-N51 PolarHBondContact O-ND2 2.93Å |
| 48 | E | 97.4 | Very high | 97.3 | Very high | 134 Ų | 134 | 104.2 Ų | 104.2 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.4 | -47.1 | 177 | -72.4 | -179.6 | 172.6 | 0 | 0 | 112.3 | E44 T50 N51 A52 | E44-E48 WeakPolarHBondContact O-CG 3.35Å; E44-E48 PolarHBondContact O-N 2.99Å; E48-T50 VanDerWaalsContact C-N 3.32Å; E48-T50 PolarHBondContact O-N 3.38Å; E48-N51 PolarHBondContact O-N 2.92Å; E48-A52 WeakPolarHBondContact O-CB 3.47Å; E48-A52 PolarHBondContact O-N 3.28Å |
| 49 | M | 96.8 | Very high | 97.3 | Very high | 122 Ų | 122 | 104 Ų | 104 | 60% | 0.601 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -37.8 | 177.4 | -73.9 | -62.6 | -57.4 | 0 | 0 | 112.3 | Q45 V47 A52 L53 | Q45-M49 WeakPolarHBondContact O-CB 3.38Å; Q45-M49 WeakPolarHBondContact O-CG 3.33Å; Q45-M49 PolarHBondContact O-N 2.89Å; V47-M49 PolarHBondContact O-N 3.47Å; M49-A52 PolarHBondContact O-N 2.71Å; M49-L53 WeakPolarHBondContact O-CG 3.37Å; M49-L53 PolarHBondContact O-N 2.86Å |
| 50 | T | 97.5 | Very high | 97.4 | Very high | 67 Ų | 67 | 105.8 Ų | 105.8 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.2 | -46.8 | 177.1 | -55 | 0 | 0 | 0 | 0 | 110.7 | R46 V47 E48 A52 L53 E54 | R46-T50 WeakPolarHBondContact O-CB 3.39Å; R46-T50 PolarHBondContact O-N 2.9Å; R46-T50 PolarHBondContact O-OG1 3.34Å; V47-T50 PolarHBondContact O-N 2.83Å; E48-T50 VanDerWaalsContact C-N 3.32Å; E48-T50 PolarHBondContact O-N 3.38Å; T50-A52 VanDerWaalsContact C-N 3.29Å; T50-A52 PolarHBondContact O-N 2.99Å; T50-L53 PolarHBondContact O-N 3.37Å; T50-L53 VanDerWaalsContact O-N 3.16Å; T50-E54 WeakPolarHBondContact O-CG 3.47Å; T50-E54 PolarHBondContact O-N 2.84Å |
| 51 | N | 97.7 | Very high | 97.5 | Very high | 90 Ų | 90 | 107.2 Ų | 107.2 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 176.3 | -68 | -18 | 0 | 0 | 0 | 111.8 | V47 E48 E54 A55 | V47-N51 WeakPolarHBondContact O-CB 3.49Å; V47-N51 PolarHBondContact O-N 3.21Å; V47-N51 PolarHBondContact O-ND2 2.93Å; E48-N51 PolarHBondContact O-N 2.92Å; N51-E54 PolarHBondContact O-N 3.49Å; N51-A55 WeakPolarHBondContact O-CB 3.47Å; N51-A55 PolarHBondContact O-N 3.37Å |
| 52 | A | 97.8 | Very high | 97.5 | Very high | 50 Ų | 50 | 104.4 Ų | 104.4 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E48 M49 T50 A55 L56 | E48-A52 WeakPolarHBondContact O-CB 3.47Å; E48-A52 PolarHBondContact O-N 3.28Å; M49-A52 PolarHBondContact O-N 2.71Å; T50-A52 VanDerWaalsContact C-N 3.29Å; T50-A52 PolarHBondContact O-N 2.99Å; A52-A55 PolarHBondContact O-N 3.17Å; A52-L56 WeakPolarHBondContact O-CG 3.48Å; A52-L56 PolarHBondContact O-N 3.43Å |
| 53 | L | 96.8 | Very high | 97.5 | Very high | 104 Ų | 104 | 104.7 Ų | 104.7 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 174.8 | -74.8 | 172.4 | 0 | 0 | 0 | 111.6 | M49 T50 A55 L56 E57 | M49-L53 WeakPolarHBondContact O-CG 3.37Å; M49-L53 PolarHBondContact O-N 2.86Å; T50-L53 PolarHBondContact O-N 3.37Å; T50-L53 VanDerWaalsContact O-N 3.16Å; L53-A55 VanDerWaalsContact C-N 3.34Å; L53-A55 PolarHBondContact O-N 3.44Å; L53-L56 PolarHBondContact O-N 3.28Å; L53-E57 WeakPolarHBondContact O-CG 3.34Å; L53-E57 PolarHBondContact O-N 2.96Å |
| 54 | E | 97.1 | Very high | 97.5 | Very high | 98 Ų | 98 | 105.8 Ų | 105.8 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 176.9 | -72.1 | 178.6 | -175.4 | 0 | 0 | 111.9 | T50 N51 E57 Q58 | T50-E54 WeakPolarHBondContact O-CG 3.47Å; T50-E54 PolarHBondContact O-N 2.84Å; N51-E54 PolarHBondContact O-N 3.49Å; E54-E57 PolarHBondContact O-N 3.48Å; E54-Q58 VanDerWaalsContact O-CG 3.28Å; E54-Q58 WeakPolarHBondContact O-CG 3.41Å; E54-Q58 PolarHBondContact O-N 2.89Å |
| 55 | A | 97.9 | Very high | 97.6 | Very high | 44 Ų | 44 | 108.3 Ų | 108.3 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N51 A52 L53 E57 Q58 D59 | N51-A55 WeakPolarHBondContact O-CB 3.47Å; N51-A55 PolarHBondContact O-N 3.37Å; A52-A55 PolarHBondContact O-N 3.17Å; L53-A55 VanDerWaalsContact C-N 3.34Å; L53-A55 PolarHBondContact O-N 3.44Å; A55-E57 VanDerWaalsContact C-N 3.32Å; A55-E57 PolarHBondContact O-N 3.34Å; A55-Q58 PolarHBondContact O-N 3.11Å; A55-D59 PolarHBondContact O-N 2.99Å |
| 56 | L | 97.4 | Very high | 97.6 | Very high | 115 Ų | 115 | 106.8 Ų | 106.8 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -36.5 | 177.3 | -72.6 | 173.9 | 0 | 0 | 0 | 112.5 | A52 L53 K60 | A52-L56 WeakPolarHBondContact O-CG 3.48Å; A52-L56 PolarHBondContact O-N 3.43Å; L53-L56 PolarHBondContact O-N 3.28Å; L56-K60 VanDerWaalsContact O-CB 3.27Å; L56-K60 WeakPolarHBondContact O-CB 3.48Å; L56-K60 PolarHBondContact O-N 2.9Å |
| 57 | E | 97.9 | Very high | 97.6 | Very high | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 173.7 | -77.1 | -173.2 | 177.5 | 0 | 0 | 111.3 | L53 E54 A55 D59 K60 Y61 | L53-E57 WeakPolarHBondContact O-CG 3.34Å; L53-E57 PolarHBondContact O-N 2.96Å; E54-E57 PolarHBondContact O-N 3.48Å; A55-E57 VanDerWaalsContact C-N 3.32Å; A55-E57 PolarHBondContact O-N 3.34Å; E57-D59 VanDerWaalsContact C-N 3.35Å; E57-D59 PolarHBondContact O-N 2.92Å; E57-K60 WeakPolarHBondContact O-CB 3.33Å; E57-K60 PolarHBondContact O-N 3.48Å; E57-Y61 HydrophobicContact CB-CE2 4.28Å; E57-Y61 WeakPolarHBondContact O-CD2 3.38Å; E57-Y61 PolarHBondContact O-N 3.38Å |
| 58 | Q | 97.8 | Very high | 97.6 | Very high | 132 Ų | 132 | 99.8 Ų | 99.8 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.9 | -47.2 | 175.9 | -72.1 | 174.2 | 18.7 | 0 | 0 | 111.6 | E54 A55 K60 Y61 S62 | E54-Q58 VanDerWaalsContact O-CG 3.28Å; E54-Q58 WeakPolarHBondContact O-CG 3.41Å; E54-Q58 PolarHBondContact O-N 2.89Å; A55-Q58 PolarHBondContact O-N 3.11Å; Q58-K60 PolarHBondContact O-N 2.92Å; Q58-Y61 PolarHBondContact O-N 3.4Å; Q58-S62 WeakPolarHBondContact O-CB 3.37Å; Q58-S62 PolarHBondContact O-N 3.32Å |
| 59 | D | 97.4 | Very high | 97.6 | Very high | 97 Ų | 97 | 97.8 Ų | 97.8 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.3 | -76.6 | -14 | 0 | 0 | 0 | 111.6 | A55 E57 Y61 S62 L63 | A55-D59 PolarHBondContact O-N 2.99Å; E57-D59 VanDerWaalsContact C-N 3.35Å; E57-D59 PolarHBondContact O-N 2.92Å; D59-Y61 PolarHBondContact O-N 2.65Å; D59-S62 PolarHBondContact O-N 3.45Å; D59-L63 WeakPolarHBondContact O-CB 3.49Å; D59-L63 VanDerWaalsContact O-CG 3.31Å; D59-L63 WeakPolarHBondContact O-CG 3.4Å; D59-L63 PolarHBondContact O-N 3.12Å |
| 60 | K | 98.1 | Very high | 97.7 | Very high | 131 Ų | 131 | 97.1 Ų | 97.1 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58 | -48.3 | 175.8 | 178 | -172.1 | 172.3 | -171.7 | 0 | 111.5 | L56 E57 Q58 Q64 | L56-K60 VanDerWaalsContact O-CB 3.27Å; L56-K60 WeakPolarHBondContact O-CB 3.48Å; L56-K60 PolarHBondContact O-N 2.9Å; E57-K60 WeakPolarHBondContact O-CB 3.33Å; E57-K60 PolarHBondContact O-N 3.48Å; Q58-K60 PolarHBondContact O-N 2.92Å; K60-Q64 VanDerWaalsContact O-CB 3.27Å; K60-Q64 WeakPolarHBondContact O-CB 3.4Å; K60-Q64 PolarHBondContact O-N 3.09Å |
| 61 | Y | 98.4 | Very high | 97.7 | Very high | 147 Ų | 147 | 96.9 Ų | 96.9 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -39.6 | 178.7 | -72.4 | -64.8 | 0 | 0 | 0 | 112 | E57 Q58 D59 Q64 K65 | E57-Y61 HydrophobicContact CB-CE2 4.28Å; E57-Y61 WeakPolarHBondContact O-CD2 3.38Å; E57-Y61 PolarHBondContact O-N 3.38Å; Q58-Y61 PolarHBondContact O-N 3.4Å; D59-Y61 PolarHBondContact O-N 2.65Å; Y61-Q64 PolarHBondContact O-N 3.17Å; Y61-K65 WeakPolarHBondContact O-CB 3.33Å; Y61-K65 PolarHBondContact O-N 3.39Å |
| 62 | S | 97.5 | Very high | 97.7 | Very high | 74 Ų | 74 | 100.3 Ų | 100.3 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -51.6 | 176.5 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | Q58 D59 Q64 K65 E66 | Q58-S62 WeakPolarHBondContact O-CB 3.37Å; Q58-S62 PolarHBondContact O-N 3.32Å; D59-S62 PolarHBondContact O-N 3.45Å; S62-Q64 PolarHBondContact O-N 3.47Å; S62-K65 WeakPolarHBondContact O-CB 3.12Å; S62-K65 PolarHBondContact O-N 3Å; S62-E66 PolarHBondContact O-N 2.88Å |
| 63 | L | 97.8 | Very high | 97.7 | Very high | 102 Ų | 102 | 103.2 Ų | 103.2 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 177.9 | -72.3 | 172 | 0 | 0 | 0 | 112 | D59 K65 E66 V67 | D59-L63 WeakPolarHBondContact O-CB 3.49Å; D59-L63 VanDerWaalsContact O-CG 3.31Å; D59-L63 WeakPolarHBondContact O-CG 3.4Å; D59-L63 PolarHBondContact O-N 3.12Å; L63-K65 VanDerWaalsContact C-N 3.3Å; L63-K65 PolarHBondContact O-N 3.21Å; L63-E66 PolarHBondContact O-N 2.99Å; L63-V67 WeakPolarHBondContact O-CG2 3.42Å; L63-V67 PolarHBondContact O-N 3.3Å |
| 64 | Q | 97.8 | Very high | 97.8 | Very high | 124 Ų | 124 | 103.5 Ų | 103.5 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.9 | -39.7 | 177.2 | -173 | 175.8 | -0.8 | 0 | 0 | 111.7 | K60 Y61 S62 G68 | K60-Q64 VanDerWaalsContact O-CB 3.27Å; K60-Q64 WeakPolarHBondContact O-CB 3.4Å; K60-Q64 PolarHBondContact O-N 3.09Å; Y61-Q64 PolarHBondContact O-N 3.17Å; S62-Q64 PolarHBondContact O-N 3.47Å; Q64-G68 PolarHBondContact O-N 2.82Å |
| 65 | K | 97.8 | Very high | 97.8 | Very high | 155 Ų | 155 | 104.3 Ų | 104.3 | 67% | 0.674 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -43.5 | 174.6 | -174.1 | -178.3 | 177.3 | -175.4 | 0 | 111.4 | Y61 S62 L63 G68 L69 | Y61-K65 WeakPolarHBondContact O-CB 3.33Å; Y61-K65 PolarHBondContact O-N 3.39Å; S62-K65 WeakPolarHBondContact O-CB 3.12Å; S62-K65 PolarHBondContact O-N 3Å; L63-K65 VanDerWaalsContact C-N 3.3Å; L63-K65 PolarHBondContact O-N 3.21Å; K65-G68 PolarHBondContact O-N 3.42Å; K65-L69 HydrophobicContact CG-CD1 4.48Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 3.03Å |
| 66 | E | 97.7 | Very high | 97.7 | Very high | 84 Ų | 84 | 104.7 Ų | 104.7 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 177.8 | -169.4 | -174 | 164.5 | 0 | 0 | 111.8 | S62 L63 G68 L69 K70 | S62-E66 PolarHBondContact O-N 2.88Å; L63-E66 PolarHBondContact O-N 2.99Å; E66-G68 VanDerWaalsContact C-N 3.33Å; E66-G68 PolarHBondContact O-N 3.14Å; E66-L69 PolarHBondContact O-N 3.06Å; E66-K70 HydrophobicContact CG-CD 4.47Å; E66-K70 WeakPolarHBondContact O-CG 3.31Å; E66-K70 PolarHBondContact O-N 3.49Å; E66-K70 WeakPolarHBondContact OE1-CE 3.26Å; E66-K70 IonicContact OE1-NZ 3.85Å; E66-K70 PolarHBondContact OE1-NZ 3.15Å |
| 67 | V | 97.6 | Very high | 97.7 | Very high | 90 Ų | 90 | 103.5 Ų | 103.5 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L63 L69 K70 T71 | L63-V67 WeakPolarHBondContact O-CG2 3.42Å; L63-V67 PolarHBondContact O-N 3.3Å; V67-L69 VanDerWaalsContact C-N 3.32Å; V67-L69 PolarHBondContact O-N 3.1Å; V67-K70 PolarHBondContact O-N 2.66Å; V67-T71 WeakPolarHBondContact O-CB 3.27Å; V67-T71 PolarHBondContact O-N 2.98Å; V67-T71 PolarHBondContact O-OG1 3.36Å |
| 68 | G | 98 | Very high | 97.7 | Very high | 25 Ų | 25 | 103.8 Ų | 103.8 | 26% | 0.258 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q64 K65 E66 R72 | Q64-G68 PolarHBondContact O-N 2.82Å; K65-G68 PolarHBondContact O-N 3.42Å; E66-G68 VanDerWaalsContact C-N 3.33Å; E66-G68 PolarHBondContact O-N 3.14Å; G68-R72 WeakPolarHBondContact O-CG 3.42Å; G68-R72 PolarHBondContact O-N 3.36Å |
| 69 | L | 97.6 | Very high | 97.7 | Very high | 93 Ų | 93 | 101.1 Ų | 101.1 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.3 | -46.2 | 175.9 | -71.4 | 171.9 | 0 | 0 | 0 | 112.3 | K65 E66 V67 T71 R72 M73 | K65-L69 HydrophobicContact CG-CD1 4.48Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 3.03Å; E66-L69 PolarHBondContact O-N 3.06Å; V67-L69 VanDerWaalsContact C-N 3.32Å; V67-L69 PolarHBondContact O-N 3.1Å; L69-T71 VanDerWaalsContact C-N 3.27Å; L69-T71 PolarHBondContact O-N 3.47Å; L69-R72 PolarHBondContact O-N 3.22Å; L69-M73 PolarHBondContact O-N 3.41Å |
| 70 | K | 97.7 | Very high | 97.7 | Very high | 108 Ų | 108 | 102.2 Ų | 102.2 | 47% | 0.47 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 176.6 | -73.4 | -179.4 | -177.2 | 169.1 | 0 | 111.7 | E66 V67 M73 L74 | E66-K70 HydrophobicContact CG-CD 4.47Å; E66-K70 WeakPolarHBondContact O-CG 3.31Å; E66-K70 PolarHBondContact O-N 3.49Å; E66-K70 WeakPolarHBondContact OE1-CE 3.26Å; E66-K70 IonicContact OE1-NZ 3.85Å; E66-K70 PolarHBondContact OE1-NZ 3.15Å; V67-K70 PolarHBondContact O-N 2.66Å; K70-M73 PolarHBondContact O-N 3.09Å; K70-L74 WeakPolarHBondContact O-CG 3.49Å; K70-L74 PolarHBondContact O-N 2.7Å |
| 71 | T | 97.9 | Very high | 97.6 | Very high | 62 Ų | 62 | 103.3 Ų | 103.3 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 176.8 | -54.2 | 0 | 0 | 0 | 0 | 111 | V67 L69 M73 L74 E75 | V67-T71 WeakPolarHBondContact O-CB 3.27Å; V67-T71 PolarHBondContact O-N 2.98Å; V67-T71 PolarHBondContact O-OG1 3.36Å; L69-T71 VanDerWaalsContact C-N 3.27Å; L69-T71 PolarHBondContact O-N 3.47Å; T71-M73 VanDerWaalsContact C-N 3.3Å; T71-M73 PolarHBondContact O-N 2.92Å; T71-L74 PolarHBondContact O-N 2.88Å; T71-E75 WeakPolarHBondContact O-CG 3.45Å; T71-E75 PolarHBondContact O-N 3.22Å |
| 72 | R | 98.1 | Very high | 97.6 | Very high | 162 Ų | 162 | 100.9 Ų | 100.9 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -37.7 | 176.7 | -68.5 | 175.8 | -162.4 | 149.7 | 3.9 | 112.9 | G68 L69 E75 S76 | G68-R72 WeakPolarHBondContact O-CG 3.42Å; G68-R72 PolarHBondContact O-N 3.36Å; L69-R72 PolarHBondContact O-N 3.22Å; R72-E75 PolarHBondContact O-N 2.96Å; R72-S76 PolarHBondContact O-N 2.93Å |
| 73 | M | 97.6 | Very high | 97.5 | Very high | 110 Ų | 110 | 101 Ų | 101 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 177.1 | -171.4 | 178.5 | 71.1 | 0 | 0 | 112 | L69 K70 T71 S76 L77 | L69-M73 PolarHBondContact O-N 3.41Å; K70-M73 PolarHBondContact O-N 3.09Å; T71-M73 VanDerWaalsContact C-N 3.3Å; T71-M73 PolarHBondContact O-N 2.92Å; M73-S76 WeakPolarHBondContact CA-OG 3.48Å; M73-S76 PolarHBondContact O-N 3.01Å; M73-S76 PolarHBondContact O-OG 2.81Å; M73-L77 HydrophobicContact CG-CD1 4.43Å; M73-L77 WeakPolarHBondContact O-CB 3.42Å; M73-L77 WeakPolarHBondContact O-CG 3.46Å; M73-L77 PolarHBondContact O-N 3.09Å |
| 74 | L | 97.7 | Very high | 97.4 | Very high | 111 Ų | 111 | 101.9 Ų | 101.9 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | 172.8 | -73.5 | 171.9 | 0 | 0 | 0 | 111.3 | K70 T71 S76 L77 Q78 | K70-L74 WeakPolarHBondContact O-CG 3.49Å; K70-L74 PolarHBondContact O-N 2.7Å; T71-L74 PolarHBondContact O-N 2.88Å; L74-S76 VanDerWaalsContact C-N 3.33Å; L74-S76 PolarHBondContact O-N 3.5Å; L74-L77 PolarHBondContact O-N 3.33Å; L74-Q78 VanDerWaalsContact O-CB 3.29Å; L74-Q78 WeakPolarHBondContact O-CB 3.47Å; L74-Q78 PolarHBondContact O-N 2.97Å |
| 75 | E | 98.1 | Very high | 97.4 | Very high | 114 Ų | 114 | 101.7 Ų | 101.7 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 174.7 | -71 | 167.3 | 178.4 | 0 | 0 | 111.6 | T71 R72 Q78 S79 | T71-E75 WeakPolarHBondContact O-CG 3.45Å; T71-E75 PolarHBondContact O-N 3.22Å; R72-E75 PolarHBondContact O-N 2.96Å; E75-Q78 PolarHBondContact O-N 2.98Å; E75-S79 WeakPolarHBondContact O-CB 3.46Å; E75-S79 PolarHBondContact O-N 3.16Å |
| 76 | S | 96.5 | Very high | 97.3 | Very high | 53 Ų | 53 | 99.1 Ų | 99.1 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 176.7 | 66.3 | 0 | 0 | 0 | 0 | 112.1 | R72 M73 L74 Q78 S79 E80 | R72-S76 PolarHBondContact O-N 2.93Å; M73-S76 WeakPolarHBondContact CA-OG 3.48Å; M73-S76 PolarHBondContact O-N 3.01Å; M73-S76 PolarHBondContact O-OG 2.81Å; L74-S76 VanDerWaalsContact C-N 3.33Å; L74-S76 PolarHBondContact O-N 3.5Å; S76-Q78 VanDerWaalsContact C-N 3.3Å; S76-Q78 PolarHBondContact O-N 3.33Å; S76-S79 WeakPolarHBondContact O-CB 3.49Å; S76-S79 PolarHBondContact O-N 2.92Å; S76-E80 WeakPolarHBondContact O-CG 3.43Å; S76-E80 PolarHBondContact O-N 3.43Å |
| 77 | L | 97.6 | Very high | 97.3 | Very high | 90 Ų | 90 | 99 Ų | 99 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 176.4 | -74.5 | 170.3 | 0 | 0 | 0 | 112 | M73 L74 E80 Y81 | M73-L77 HydrophobicContact CG-CD1 4.43Å; M73-L77 WeakPolarHBondContact O-CB 3.42Å; M73-L77 WeakPolarHBondContact O-CG 3.46Å; M73-L77 PolarHBondContact O-N 3.09Å; L74-L77 PolarHBondContact O-N 3.33Å; L77-E80 PolarHBondContact O-N 3.23Å; L77-Y81 WeakPolarHBondContact O-CB 3.44Å; L77-Y81 PolarHBondContact O-N 2.94Å |
| 78 | Q | 97.9 | Very high | 97.2 | Very high | 115 Ų | 115 | 101.4 Ų | 101.4 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 175.3 | -175.2 | 176.2 | -13.3 | 0 | 0 | 111.2 | L74 E75 S76 E80 Y81 E82 | L74-Q78 VanDerWaalsContact O-CB 3.29Å; L74-Q78 WeakPolarHBondContact O-CB 3.47Å; L74-Q78 PolarHBondContact O-N 2.97Å; E75-Q78 PolarHBondContact O-N 2.98Å; S76-Q78 VanDerWaalsContact C-N 3.3Å; S76-Q78 PolarHBondContact O-N 3.33Å; Q78-E80 VanDerWaalsContact C-N 3.35Å; Q78-E80 PolarHBondContact O-N 3.41Å; Q78-Y81 PolarHBondContact O-N 2.98Å; Q78-E82 PolarHBondContact NE2-OE1 3.45Å; Q78-E82 WeakPolarHBondContact O-CG 3.5Å; Q78-E82 PolarHBondContact O-N 3.4Å |
| 79 | S | 96.5 | Very high | 97.1 | Very high | 76 Ų | 76 | 107.1 Ų | 107.1 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 174.1 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | E75 S76 E82 S83 | E75-S79 WeakPolarHBondContact O-CB 3.46Å; E75-S79 PolarHBondContact O-N 3.16Å; S76-S79 WeakPolarHBondContact O-CB 3.49Å; S76-S79 PolarHBondContact O-N 2.92Å; S79-E82 PolarHBondContact O-N 3.42Å; S79-S83 WeakPolarHBondContact O-CB 3.4Å; S79-S83 PolarHBondContact O-N 3.06Å |
| 80 | E | 96.9 | Very high | 97 | Very high | 121 Ų | 121 | 107.9 Ų | 107.9 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 175.7 | -73.6 | 176.8 | -169.7 | 0 | 0 | 111.7 | S76 L77 Q78 S83 M84 | S76-E80 WeakPolarHBondContact O-CG 3.43Å; S76-E80 PolarHBondContact O-N 3.43Å; L77-E80 PolarHBondContact O-N 3.23Å; Q78-E80 VanDerWaalsContact C-N 3.35Å; Q78-E80 PolarHBondContact O-N 3.41Å; E80-S83 PolarHBondContact O-N 2.86Å; E80-M84 WeakPolarHBondContact O-CB 3.33Å; E80-M84 WeakPolarHBondContact O-CG 3.47Å; E80-M84 PolarHBondContact O-N 3.22Å |
| 81 | Y | 96.6 | Very high | 96.9 | Very high | 154 Ų | 154 | 108.1 Ų | 108.1 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61 | -46.1 | 176 | 174.2 | -97.8 | 0 | 0 | 0 | 112.1 | L77 Q78 M84 K85 | L77-Y81 WeakPolarHBondContact O-CB 3.44Å; L77-Y81 PolarHBondContact O-N 2.94Å; Q78-Y81 PolarHBondContact O-N 2.98Å; Y81-M84 PolarHBondContact O-N 2.84Å; Y81-K85 HydrophobicContact CE1-CD 4.22Å; Y81-K85 VanDerWaalsContact O-CB 3.28Å; Y81-K85 WeakPolarHBondContact O-CB 3.38Å; Y81-K85 PolarHBondContact O-N 2.91Å |
| 82 | E | 98.1 | Very high | 96.8 | Very high | 95 Ų | 95 | 111.2 Ų | 111.2 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.6 | -73.4 | 179.1 | -168.9 | 0 | 0 | 111.7 | Q78 S79 K85 N86 | Q78-E82 PolarHBondContact NE2-OE1 3.45Å; Q78-E82 WeakPolarHBondContact O-CG 3.5Å; Q78-E82 PolarHBondContact O-N 3.4Å; S79-E82 PolarHBondContact O-N 3.42Å; E82-K85 PolarHBondContact O-N 3.3Å; E82-N86 WeakPolarHBondContact O-CB 3.32Å; E82-N86 PolarHBondContact O-N 2.84Å; E82-N86 PolarHBondContact O-ND2 2.86Å; E82-N86 VanDerWaalsContact O-ND2 3.16Å |
| 83 | S | 96.2 | Very high | 96.6 | Very high | 76 Ų | 76 | 108.5 Ų | 108.5 | 53% | 0.531 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | S79 E80 K85 N86 L87 | S79-S83 WeakPolarHBondContact O-CB 3.4Å; S79-S83 PolarHBondContact O-N 3.06Å; E80-S83 PolarHBondContact O-N 2.86Å; S83-K85 PolarHBondContact O-N 3.48Å; S83-N86 PolarHBondContact O-N 3.01Å; S83-L87 WeakPolarHBondContact O-CB 3.39Å; S83-L87 PolarHBondContact O-N 3.34Å |
| 84 | M | 95.4 | Very high | 96.5 | Very high | 122 Ų | 122 | 106 Ų | 106 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -42.8 | 178 | -77.3 | -62.1 | -61.8 | 0 | 0 | 112.4 | E80 Y81 N86 L87 Q88 | E80-M84 WeakPolarHBondContact O-CB 3.33Å; E80-M84 WeakPolarHBondContact O-CG 3.47Å; E80-M84 PolarHBondContact O-N 3.22Å; Y81-M84 PolarHBondContact O-N 2.84Å; M84-N86 VanDerWaalsContact C-N 3.34Å; M84-N86 PolarHBondContact O-N 2.95Å; M84-L87 PolarHBondContact O-N 3.47Å; M84-Q88 WeakPolarHBondContact O-CB 3.08Å; M84-Q88 PolarHBondContact O-N 3.46Å |
| 85 | K | 97.8 | Very high | 96.4 | Very high | 120 Ų | 120 | 106.9 Ų | 106.9 | 52% | 0.522 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 176.1 | -179 | -179.4 | 178 | -179 | 0 | 111.6 | Y81 E82 S83 K89 | Y81-K85 HydrophobicContact CE1-CD 4.22Å; Y81-K85 VanDerWaalsContact O-CB 3.28Å; Y81-K85 WeakPolarHBondContact O-CB 3.38Å; Y81-K85 PolarHBondContact O-N 2.91Å; E82-K85 PolarHBondContact O-N 3.3Å; S83-K85 PolarHBondContact O-N 3.48Å; K85-K89 WeakPolarHBondContact O-CB 3.43Å; K85-K89 PolarHBondContact O-N 2.91Å |
| 86 | N | 96.3 | Very high | 96.3 | Very high | 100 Ų | 100 | 105.9 Ų | 105.9 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 177.5 | -72 | -26 | 0 | 0 | 0 | 111.5 | E82 S83 M84 K89 Q90 | E82-N86 WeakPolarHBondContact O-CB 3.32Å; E82-N86 PolarHBondContact O-N 2.84Å; E82-N86 PolarHBondContact O-ND2 2.86Å; E82-N86 VanDerWaalsContact O-ND2 3.16Å; S83-N86 PolarHBondContact O-N 3.01Å; M84-N86 VanDerWaalsContact C-N 3.34Å; M84-N86 PolarHBondContact O-N 2.95Å; N86-K89 PolarHBondContact O-N 2.67Å; N86-Q90 WeakPolarHBondContact O-CB 3.34Å; N86-Q90 PolarHBondContact O-N 3.49Å |
| 87 | L | 96.6 | Very high | 96.2 | Very high | 82 Ų | 82 | 108.2 Ų | 108.2 | 43% | 0.429 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.8 | -178.3 | 63.1 | 0 | 0 | 0 | 111.6 | S83 M84 K89 Q90 Q91 | S83-L87 WeakPolarHBondContact O-CB 3.39Å; S83-L87 PolarHBondContact O-N 3.34Å; M84-L87 PolarHBondContact O-N 3.47Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.02Å; L87-Q90 PolarHBondContact O-N 3.36Å; L87-Q91 HydrophobicContact CD1-CG 4.47Å; L87-Q91 WeakPolarHBondContact O-CG 3.32Å; L87-Q91 PolarHBondContact O-N 2.91Å |
| 88 | Q | 95.8 | Very high | 96.1 | Very high | 141 Ų | 141 | 110.6 Ų | 110.6 | 66% | 0.659 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -42.9 | 177.3 | -174.2 | -177.6 | 10.6 | 0 | 0 | 111.7 | M84 Q91 L92 | M84-Q88 WeakPolarHBondContact O-CB 3.08Å; M84-Q88 PolarHBondContact O-N 3.46Å; Q88-Q91 PolarHBondContact O-N 2.95Å; Q88-L92 WeakPolarHBondContact O-CB 3.4Å; Q88-L92 PolarHBondContact O-N 2.85Å |
| 89 | K | 96.6 | Very high | 96 | Very high | 145 Ų | 145 | 107.8 Ų | 107.8 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -44.7 | 177.1 | -174.1 | -178.1 | 177.1 | -173.3 | 0 | 111.3 | K85 N86 L87 L92 Q93 | K85-K89 WeakPolarHBondContact O-CB 3.43Å; K85-K89 PolarHBondContact O-N 2.91Å; N86-K89 PolarHBondContact O-N 2.67Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.02Å; K89-L92 PolarHBondContact O-N 3.37Å; K89-Q93 WeakPolarHBondContact O-CB 3.45Å; K89-Q93 PolarHBondContact O-N 2.93Å |
| 90 | Q | 96.1 | Very high | 96 | Very high | 108 Ų | 108 | 109.1 Ų | 109.1 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 177.9 | -175.8 | 176.7 | -4.4 | 0 | 0 | 111.4 | N86 L87 L92 Q93 E94 | N86-Q90 WeakPolarHBondContact O-CB 3.34Å; N86-Q90 PolarHBondContact O-N 3.49Å; L87-Q90 PolarHBondContact O-N 3.36Å; Q90-L92 VanDerWaalsContact C-N 3.33Å; Q90-L92 PolarHBondContact O-N 3.42Å; Q90-Q93 PolarHBondContact O-N 2.91Å; Q90-E94 HydrophobicContact CG-CG 4.24Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.4Å; Q90-E94 PolarHBondContact NE2-OE1 3.47Å; Q90-E94 WeakPolarHBondContact O-CB 3.44Å; Q90-E94 WeakPolarHBondContact O-CG 3.39Å; Q90-E94 PolarHBondContact O-N 3.48Å |
| 91 | Q | 94.6 | Very high | 96 | Very high | 113 Ų | 113 | 106.2 Ų | 106.2 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 177.2 | -75.1 | 177.2 | -8.6 | 0 | 0 | 112.5 | L87 Q88 H95 | L87-Q91 HydrophobicContact CD1-CG 4.47Å; L87-Q91 WeakPolarHBondContact O-CG 3.32Å; L87-Q91 PolarHBondContact O-N 2.91Å; Q88-Q91 PolarHBondContact O-N 2.95Å; Q91-H95 VanDerWaalsContact O-CB 3.27Å; Q91-H95 WeakPolarHBondContact O-CB 3.39Å; Q91-H95 PolarHBondContact O-N 2.64Å |
| 92 | L | 95.6 | Very high | 95.9 | Very high | 128 Ų | 128 | 105 Ų | 105 | 67% | 0.67 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 177.7 | -174.8 | 65.5 | 0 | 0 | 0 | 111.4 | Q88 K89 Q90 H95 L96 | Q88-L92 WeakPolarHBondContact O-CB 3.4Å; Q88-L92 PolarHBondContact O-N 2.85Å; K89-L92 PolarHBondContact O-N 3.37Å; Q90-L92 VanDerWaalsContact C-N 3.33Å; Q90-L92 PolarHBondContact O-N 3.42Å; L92-H95 PolarHBondContact O-N 2.93Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 PolarHBondContact O-N 3.19Å |
| 93 | Q | 94.9 | Very high | 95.9 | Very high | 105 Ų | 105 | 102.3 Ų | 102.3 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 178 | -176.2 | 174.2 | -17.1 | 0 | 0 | 111.3 | K89 Q90 H95 L96 E97 | K89-Q93 WeakPolarHBondContact O-CB 3.45Å; K89-Q93 PolarHBondContact O-N 2.93Å; Q90-Q93 PolarHBondContact O-N 2.91Å; Q93-H95 VanDerWaalsContact C-N 3.33Å; Q93-H95 PolarHBondContact O-N 3.49Å; Q93-L96 PolarHBondContact O-N 3.44Å; Q93-E97 HydrophobicContact CG-CG 4.5Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.35Å; Q93-E97 PolarHBondContact NE2-OE1 3.18Å; Q93-E97 WeakPolarHBondContact O-CG 3.39Å; Q93-E97 PolarHBondContact O-N 2.98Å |
| 94 | E | 94.8 | Very high | 95.9 | Very high | 58 Ų | 58 | 104.5 Ų | 104.5 | 27% | 0.271 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 177.6 | -69.4 | 179.7 | -170.2 | 0 | 0 | 112.2 | Q90 L96 E97 R98 | Q90-E94 HydrophobicContact CG-CG 4.24Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.4Å; Q90-E94 PolarHBondContact NE2-OE1 3.47Å; Q90-E94 WeakPolarHBondContact O-CB 3.44Å; Q90-E94 WeakPolarHBondContact O-CG 3.39Å; Q90-E94 PolarHBondContact O-N 3.48Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-E97 PolarHBondContact O-N 3.1Å; E94-R98 VanDerWaalsContact CB-NH1 3.32Å; E94-R98 WeakPolarHBondContact O-CB 3.4Å; E94-R98 VanDerWaalsContact O-CG 3.22Å; E94-R98 WeakPolarHBondContact O-CG 3.36Å; E94-R98 PolarHBondContact O-N 2.86Å; E94-R98 IonicContact OE2-CZ 2.85Å; E94-R98 IonicContact OE2-NH1 2.8Å; E94-R98 PolarHBondContact OE2-NH1 3.14Å; E94-R98 IonicContact OE2-NH2 3.5Å; E94-R98 PolarHBondContact OE2-NH2 2.98Å |
| 95 | H | 94.5 | Very high | 96 | Very high | 128 Ų | 128 | 102.6 Ų | 102.6 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 174.8 | -177.8 | -78.2 | 0 | 0 | 0 | 111.2 | Q91 L92 Q93 R98 S99 | Q91-H95 VanDerWaalsContact O-CB 3.27Å; Q91-H95 WeakPolarHBondContact O-CB 3.39Å; Q91-H95 PolarHBondContact O-N 2.64Å; L92-H95 PolarHBondContact O-N 2.93Å; Q93-H95 VanDerWaalsContact C-N 3.33Å; Q93-H95 PolarHBondContact O-N 3.49Å; H95-R98 PolarHBondContact O-N 3.4Å; H95-S99 WeakPolarHBondContact O-CB 3.46Å; H95-S99 PolarHBondContact O-N 3.5Å |
| 96 | L | 96 | Very high | 96 | Very high | 94 Ų | 94 | 103 Ų | 103 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 177 | -166.6 | 73.1 | 0 | 0 | 0 | 111.6 | L92 Q93 E94 S99 H100 | L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 PolarHBondContact O-N 3.19Å; Q93-L96 PolarHBondContact O-N 3.44Å; E94-L96 VanDerWaalsContact C-N 3.34Å; L96-S99 WeakPolarHBondContact O-CB 3.38Å; L96-S99 PolarHBondContact O-N 3.44Å; L96-H100 WeakPolarHBondContact O-CB 3.3Å; L96-H100 VanDerWaalsContact O-CG 3.29Å; L96-H100 PolarHBondContact O-N 2.94Å |
| 97 | E | 95.5 | Very high | 96 | Very high | 102 Ų | 102 | 103.8 Ų | 103.8 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.2 | -72.6 | 172 | -172.8 | 0 | 0 | 112.1 | Q93 E94 H100 S101 | Q93-E97 HydrophobicContact CG-CG 4.5Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.35Å; Q93-E97 PolarHBondContact NE2-OE1 3.18Å; Q93-E97 WeakPolarHBondContact O-CG 3.39Å; Q93-E97 PolarHBondContact O-N 2.98Å; E94-E97 PolarHBondContact O-N 3.1Å; E97-H100 PolarHBondContact O-N 3.41Å; E97-S101 WeakPolarHBondContact O-CB 3.42Å; E97-S101 PolarHBondContact O-N 2.92Å; E97-S101 PolarHBondContact O-OG 3.44Å |
| 98 | R | 96.1 | Very high | 96.1 | Very high | 140 Ų | 140 | 104.9 Ų | 104.9 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 172.8 | -73.5 | 177.8 | -167.7 | 111 | 6.1 | 111.4 | E94 H95 S101 M102 | E94-R98 VanDerWaalsContact CB-NH1 3.32Å; E94-R98 WeakPolarHBondContact O-CB 3.4Å; E94-R98 VanDerWaalsContact O-CG 3.22Å; E94-R98 WeakPolarHBondContact O-CG 3.36Å; E94-R98 PolarHBondContact O-N 2.86Å; E94-R98 IonicContact OE2-CZ 2.85Å; E94-R98 IonicContact OE2-NH1 2.8Å; E94-R98 PolarHBondContact OE2-NH1 3.14Å; E94-R98 IonicContact OE2-NH2 3.5Å; E94-R98 PolarHBondContact OE2-NH2 2.98Å; H95-R98 PolarHBondContact O-N 3.4Å; R98-S101 WeakPolarHBondContact CA-OG 3.47Å; R98-S101 PolarHBondContact O-N 3.38Å; R98-S101 PolarHBondContact O-OG 2.94Å; R98-M102 WeakPolarHBondContact O-CB 3.46Å; R98-M102 VanDerWaalsContact O-CG 3.25Å; R98-M102 WeakPolarHBondContact O-CG 3.41Å; R98-M102 PolarHBondContact O-N 3.46Å |
| 99 | S | 95 | Very high | 96.2 | Very high | 56 Ų | 56 | 102.3 Ų | 102.3 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 175.7 | 159.9 | 0 | 0 | 0 | 0 | 112.1 | H95 L96 M102 A103 | H95-S99 WeakPolarHBondContact O-CB 3.46Å; H95-S99 PolarHBondContact O-N 3.5Å; L96-S99 WeakPolarHBondContact O-CB 3.38Å; L96-S99 PolarHBondContact O-N 3.44Å; S99-M102 PolarHBondContact O-N 2.98Å; S99-A103 PolarHBondContact O-N 2.9Å |
| 100 | H | 96.7 | Very high | 96.2 | Very high | 103 Ų | 103 | 101.3 Ų | 101.3 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 179.2 | -70.5 | 174.3 | 0 | 0 | 0 | 112.1 | L96 E97 A103 L104 | L96-H100 WeakPolarHBondContact O-CB 3.3Å; L96-H100 VanDerWaalsContact O-CG 3.29Å; L96-H100 PolarHBondContact O-N 2.94Å; E97-H100 PolarHBondContact O-N 3.41Å; H100-A103 PolarHBondContact O-N 3.4Å; H100-L104 WeakPolarHBondContact O-CB 3.47Å; H100-L104 WeakPolarHBondContact O-CG 3.45Å; H100-L104 PolarHBondContact O-N 2.93Å |
| 101 | S | 96.7 | Very high | 96.3 | Very high | 60 Ų | 60 | 100.1 Ų | 100.1 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 177 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | E97 R98 L104 T105 | E97-S101 WeakPolarHBondContact O-CB 3.42Å; E97-S101 PolarHBondContact O-N 2.92Å; E97-S101 PolarHBondContact O-OG 3.44Å; R98-S101 WeakPolarHBondContact CA-OG 3.47Å; R98-S101 PolarHBondContact O-N 3.38Å; R98-S101 PolarHBondContact O-OG 2.94Å; S101-L104 PolarHBondContact O-N 2.8Å; S101-T105 VanDerWaalsContact O-CG2 3.3Å; S101-T105 WeakPolarHBondContact O-CG2 3.26Å; S101-T105 PolarHBondContact O-N 3.37Å; S101-T105 PolarHBondContact O-OG1 3.33Å; S101-T105 VanDerWaalsContact O-OG1 3.05Å |
| 102 | M | 95.6 | Very high | 96.4 | Very high | 130 Ų | 130 | 98.8 Ų | 98.8 | 64% | 0.64 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 171.3 | -74.2 | 177.9 | 63 | 0 | 0 | 112.1 | R98 S99 L104 T105 E106 | R98-M102 WeakPolarHBondContact O-CB 3.46Å; R98-M102 VanDerWaalsContact O-CG 3.25Å; R98-M102 WeakPolarHBondContact O-CG 3.41Å; R98-M102 PolarHBondContact O-N 3.46Å; S99-M102 PolarHBondContact O-N 2.98Å; M102-L104 PolarHBondContact O-N 3.37Å; M102-T105 WeakPolarHBondContact CA-OG1 3.1Å; M102-T105 PolarHBondContact O-N 3.01Å; M102-T105 PolarHBondContact O-OG1 3.39Å; M102-E106 WeakPolarHBondContact O-CB 3.27Å; M102-E106 PolarHBondContact O-N 3.32Å |
| 103 | A | 96.8 | Very high | 96.5 | Very high | 38 Ų | 38 | 100 Ų | 100 | 31% | 0.314 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S99 H100 E106 H107 | S99-A103 PolarHBondContact O-N 2.9Å; H100-A103 PolarHBondContact O-N 3.4Å; A103-E106 PolarHBondContact O-N 3.37Å; A103-H107 PolarHBondContact O-CD2 3.42Å; A103-H107 PolarHBondContact O-N 3.45Å |
| 104 | L | 97.3 | Very high | 96.6 | Very high | 122 Ų | 122 | 100.1 Ų | 100.1 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | 176.2 | -76.7 | 172.2 | 0 | 0 | 0 | 111.8 | H100 S101 M102 E106 H107 Q108 | H100-L104 WeakPolarHBondContact O-CB 3.47Å; H100-L104 WeakPolarHBondContact O-CG 3.45Å; H100-L104 PolarHBondContact O-N 2.93Å; S101-L104 PolarHBondContact O-N 2.8Å; M102-L104 PolarHBondContact O-N 3.37Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.45Å; L104-H107 PolarHBondContact O-N 2.91Å; L104-Q108 VanDerWaalsContact O-CB 3.26Å; L104-Q108 WeakPolarHBondContact O-CB 3.39Å; L104-Q108 PolarHBondContact O-N 2.95Å |
| 105 | T | 96.8 | Very high | 96.8 | Very high | 81 Ų | 81 | 102 Ų | 102 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 177.2 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | S101 M102 Q108 N109 | S101-T105 VanDerWaalsContact O-CG2 3.3Å; S101-T105 WeakPolarHBondContact O-CG2 3.26Å; S101-T105 PolarHBondContact O-N 3.37Å; S101-T105 PolarHBondContact O-OG1 3.33Å; S101-T105 VanDerWaalsContact O-OG1 3.05Å; M102-T105 WeakPolarHBondContact CA-OG1 3.1Å; M102-T105 PolarHBondContact O-N 3.01Å; M102-T105 PolarHBondContact O-OG1 3.39Å; T105-Q108 PolarHBondContact O-N 3.26Å; T105-N109 VanDerWaalsContact O-CB 3.32Å; T105-N109 WeakPolarHBondContact O-CB 3.4Å; T105-N109 PolarHBondContact O-N 3.45Å; T105-N109 PolarHBondContact O-ND2 2.97Å; T105-N109 VanDerWaalsContact O-ND2 3.07Å |
| 106 | E | 97.6 | Very high | 96.8 | Very high | 129 Ų | 129 | 98.4 Ų | 98.4 | 60% | 0.603 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.5 | -47.4 | 174.7 | -172.8 | 179.3 | 178.8 | 0 | 0 | 111.9 | M102 A103 L104 N109 K110 | M102-E106 WeakPolarHBondContact O-CB 3.27Å; M102-E106 PolarHBondContact O-N 3.32Å; A103-E106 PolarHBondContact O-N 3.37Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.45Å; E106-N109 PolarHBondContact O-N 3Å; E106-K110 PolarHBondContact O-N 3.4Å |
| 107 | H | 97.1 | Very high | 96.8 | Very high | 116 Ų | 116 | 95.4 Ų | 95.4 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.7 | -71.7 | -42.3 | 0 | 0 | 0 | 111.9 | A103 L104 N109 K110 I111 | A103-H107 PolarHBondContact O-CD2 3.42Å; A103-H107 PolarHBondContact O-N 3.45Å; L104-H107 PolarHBondContact O-N 2.91Å; H107-N109 VanDerWaalsContact C-N 3.35Å; H107-N109 PolarHBondContact O-N 3.47Å; H107-K110 PolarHBondContact O-N 3.37Å; H107-K110 VanDerWaalsContact O-N 3.14Å; H107-I111 WeakPolarHBondContact O-CG1 3.46Å; H107-I111 PolarHBondContact O-N 3.12Å |
| 108 | Q | 97.9 | Very high | 96.9 | Very high | 106 Ų | 106 | 94.1 Ų | 94.1 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.9 | -170 | 65.7 | 9.6 | 0 | 0 | 111.2 | L104 T105 K110 I111 L112 | L104-Q108 VanDerWaalsContact O-CB 3.26Å; L104-Q108 WeakPolarHBondContact O-CB 3.39Å; L104-Q108 PolarHBondContact O-N 2.95Å; T105-Q108 PolarHBondContact O-N 3.26Å; Q108-K110 VanDerWaalsContact C-N 3.28Å; Q108-K110 PolarHBondContact O-N 2.91Å; Q108-I111 PolarHBondContact O-N 3.28Å; Q108-L112 HydrophobicContact CG-CD1 4.44Å; Q108-L112 WeakPolarHBondContact O-CG 3.41Å; Q108-L112 PolarHBondContact O-N 3.22Å |
| 109 | N | 97.1 | Very high | 97 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -33.7 | 176.1 | -75.1 | -32.7 | 0 | 0 | 0 | 112.6 | T105 E106 H107 R113 | T105-N109 VanDerWaalsContact O-CB 3.32Å; T105-N109 WeakPolarHBondContact O-CB 3.4Å; T105-N109 PolarHBondContact O-N 3.45Å; T105-N109 PolarHBondContact O-ND2 2.97Å; T105-N109 VanDerWaalsContact O-ND2 3.07Å; E106-N109 PolarHBondContact O-N 3Å; H107-N109 VanDerWaalsContact C-N 3.35Å; H107-N109 PolarHBondContact O-N 3.47Å; N109-R113 WeakPolarHBondContact O-CG 3.43Å; N109-R113 PolarHBondContact O-N 3.49Å; N109-R113 VanDerWaalsContact O-N 3.16Å; N109-R113 PolarHBondContact O-NE 2.94Å |
| 110 | K | 98.1 | Very high | 97 | Very high | 124 Ų | 124 | 97.3 Ų | 97.3 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.8 | -41.4 | 175.6 | -170.4 | 172.7 | -176.5 | 175.5 | 0 | 111.3 | E106 H107 Q108 R113 L114 | E106-K110 PolarHBondContact O-N 3.4Å; H107-K110 PolarHBondContact O-N 3.37Å; H107-K110 VanDerWaalsContact O-N 3.14Å; Q108-K110 VanDerWaalsContact C-N 3.28Å; Q108-K110 PolarHBondContact O-N 2.91Å; K110-R113 PolarHBondContact O-N 3.3Å; K110-L114 HydrophobicContact CG-CD1 4.32Å; K110-L114 WeakPolarHBondContact O-CG 3.47Å; K110-L114 PolarHBondContact O-N 3.37Å |
| 111 | I | 97.6 | Very high | 97 | Very high | 82 Ų | 82 | 99.6 Ų | 99.6 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 175.3 | -70.4 | 167.2 | 0 | 0 | 0 | 110.1 | H107 Q108 R113 L114 Q115 | H107-I111 WeakPolarHBondContact O-CG1 3.46Å; H107-I111 PolarHBondContact O-N 3.12Å; Q108-I111 PolarHBondContact O-N 3.28Å; I111-R113 VanDerWaalsContact C-N 3.34Å; I111-R113 PolarHBondContact O-N 3.46Å; I111-L114 PolarHBondContact O-N 2.95Å; I111-Q115 HydrophobicContact CG2-CG 4.35Å; I111-Q115 WeakPolarHBondContact O-CB 3.01Å; I111-Q115 WeakPolarHBondContact O-CG 3.32Å; I111-Q115 PolarHBondContact O-N 3.28Å |
| 112 | L | 97.8 | Very high | 97 | Very high | 86 Ų | 86 | 101.6 Ų | 101.6 | 45% | 0.45 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 179.2 | -70.1 | 171.7 | 0 | 0 | 0 | 112.5 | Q108 Q115 S116 | Q108-L112 HydrophobicContact CG-CD1 4.44Å; Q108-L112 WeakPolarHBondContact O-CG 3.41Å; Q108-L112 PolarHBondContact O-N 3.22Å; L112-Q115 PolarHBondContact O-N 2.98Å; L112-S116 PolarHBondContact O-N 3.27Å |
| 113 | R | 97.4 | Very high | 97 | Very high | 152 Ų | 152 | 100.5 Ų | 100.5 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 175.3 | -80.7 | 177.9 | -82.5 | 151 | -11.6 | 113 | N109 K110 I111 S116 A117 | N109-R113 WeakPolarHBondContact O-CG 3.43Å; N109-R113 PolarHBondContact O-N 3.49Å; N109-R113 VanDerWaalsContact O-N 3.16Å; N109-R113 PolarHBondContact O-NE 2.94Å; K110-R113 PolarHBondContact O-N 3.3Å; I111-R113 VanDerWaalsContact C-N 3.34Å; I111-R113 PolarHBondContact O-N 3.46Å; R113-S116 PolarHBondContact O-OG 3.37Å; R113-A117 WeakPolarHBondContact O-CB 3.38Å; R113-A117 PolarHBondContact O-N 2.9Å; R113-A117 VanDerWaalsContact O-N 3.08Å |
| 114 | L | 97 | Very high | 96.9 | Very high | 108 Ų | 108 | 101 Ų | 101 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.5 | -38 | 176.2 | -71.5 | 173.5 | 0 | 0 | 0 | 111.1 | K110 I111 A117 V118 | K110-L114 HydrophobicContact CG-CD1 4.32Å; K110-L114 WeakPolarHBondContact O-CG 3.47Å; K110-L114 PolarHBondContact O-N 3.37Å; I111-L114 PolarHBondContact O-N 2.95Å; L114-A117 PolarHBondContact O-N 3.39Å; L114-V118 WeakPolarHBondContact O-CB 3.38Å; L114-V118 VanDerWaalsContact O-CG2 3.26Å; L114-V118 WeakPolarHBondContact O-CG2 3.41Å; L114-V118 PolarHBondContact O-N 3.32Å |
| 115 | Q | 97.9 | Very high | 96.8 | Very high | 99 Ų | 99 | 99.7 Ų | 99.7 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 174.3 | -76.2 | 173.4 | -21.7 | 0 | 0 | 111.6 | I111 L112 A117 V118 E119 | I111-Q115 HydrophobicContact CG2-CG 4.35Å; I111-Q115 WeakPolarHBondContact O-CB 3.01Å; I111-Q115 WeakPolarHBondContact O-CG 3.32Å; I111-Q115 PolarHBondContact O-N 3.28Å; L112-Q115 PolarHBondContact O-N 2.98Å; Q115-A117 VanDerWaalsContact C-N 3.34Å; Q115-A117 PolarHBondContact O-N 2.93Å; Q115-V118 PolarHBondContact O-N 3.14Å; Q115-E119 WeakPolarHBondContact O-CG 3.38Å; Q115-E119 PolarHBondContact O-N 3.2Å |
| 116 | S | 95 | Very high | 96.8 | Very high | 51 Ų | 51 | 100.4 Ų | 100.4 | 36% | 0.357 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -41 | 177.7 | 67 | 0 | 0 | 0 | 0 | 112.2 | L112 R113 V118 E119 E120 | L112-S116 PolarHBondContact O-N 3.27Å; R113-S116 PolarHBondContact O-OG 3.37Å; S116-V118 PolarHBondContact O-N 3.4Å; S116-E119 PolarHBondContact O-N 3.37Å; S116-E120 WeakPolarHBondContact O-CG 3.4Å; S116-E120 PolarHBondContact O-N 2.96Å |
| 117 | A | 96.8 | Very high | 96.7 | Very high | 31 Ų | 31 | 99.2 Ų | 99.2 | 26% | 0.256 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R113 L114 Q115 E120 F121 | R113-A117 WeakPolarHBondContact O-CB 3.38Å; R113-A117 PolarHBondContact O-N 2.9Å; R113-A117 VanDerWaalsContact O-N 3.08Å; L114-A117 PolarHBondContact O-N 3.39Å; Q115-A117 VanDerWaalsContact C-N 3.34Å; Q115-A117 PolarHBondContact O-N 2.93Å; A117-E120 PolarHBondContact O-N 2.92Å; A117-F121 WeakPolarHBondContact O-CD2 3.41Å; A117-F121 PolarHBondContact O-N 3.28Å |
| 118 | V | 97.1 | Very high | 96.6 | Very high | 76 Ų | 76 | 99.2 Ų | 99.2 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.5 | 168 | 0 | 0 | 0 | 0 | 111.1 | L114 Q115 S116 F121 Q122 | L114-V118 WeakPolarHBondContact O-CB 3.38Å; L114-V118 VanDerWaalsContact O-CG2 3.26Å; L114-V118 WeakPolarHBondContact O-CG2 3.41Å; L114-V118 PolarHBondContact O-N 3.32Å; Q115-V118 PolarHBondContact O-N 3.14Å; S116-V118 PolarHBondContact O-N 3.4Å; V118-F121 PolarHBondContact O-N 3.46Å; V118-Q122 HydrophobicContact CG1-CG 4.39Å; V118-Q122 WeakPolarHBondContact O-CB 2.94Å; V118-Q122 VanDerWaalsContact O-CG 3.27Å; V118-Q122 WeakPolarHBondContact O-CG 3.38Å; V118-Q122 PolarHBondContact O-N 2.98Å |
| 119 | E | 97.5 | Very high | 96.5 | Very high | 128 Ų | 128 | 99.6 Ų | 99.6 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 176.5 | -71.4 | 172.6 | -173.5 | 0 | 0 | 112 | Q115 S116 Q122 L123 | Q115-E119 WeakPolarHBondContact O-CG 3.38Å; Q115-E119 PolarHBondContact O-N 3.2Å; S116-E119 PolarHBondContact O-N 3.37Å; E119-Q122 PolarHBondContact O-N 3.38Å; E119-L123 WeakPolarHBondContact O-CB 3.36Å; E119-L123 PolarHBondContact O-N 2.87Å |
| 120 | E | 95.6 | Very high | 96.5 | Very high | 134 Ų | 134 | 101.2 Ų | 101.2 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.3 | -46.5 | 174.4 | -75.3 | 175.2 | -175.2 | 0 | 0 | 111.9 | S116 A117 L123 S124 | S116-E120 WeakPolarHBondContact O-CG 3.4Å; S116-E120 PolarHBondContact O-N 2.96Å; A117-E120 PolarHBondContact O-N 2.92Å; E120-L123 PolarHBondContact O-N 2.73Å; E120-S124 PolarHBondContact O-N 2.95Å |
| 121 | F | 95.6 | Very high | 96.5 | Very high | 151 Ų | 151 | 101.3 Ų | 101.3 | 66% | 0.662 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 176.1 | -77.2 | -57.8 | 0 | 0 | 0 | 111.6 | A117 V118 L123 S124 E125 | A117-F121 WeakPolarHBondContact O-CD2 3.41Å; A117-F121 PolarHBondContact O-N 3.28Å; V118-F121 PolarHBondContact O-N 3.46Å; F121-L123 VanDerWaalsContact C-N 3.31Å; F121-L123 PolarHBondContact O-N 3.21Å; F121-S124 PolarHBondContact O-N 2.97Å; F121-S124 PolarHBondContact O-OG 3.32Å; F121-E125 WeakPolarHBondContact O-CB 3.4Å; F121-E125 PolarHBondContact O-N 3.42Å |
| 122 | Q | 97.4 | Very high | 96.4 | Very high | 102 Ų | 102 | 103.3 Ų | 103.3 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 176.8 | -75 | 177 | 6.5 | 0 | 0 | 111.9 | V118 E119 E125 N126 | V118-Q122 HydrophobicContact CG1-CG 4.39Å; V118-Q122 WeakPolarHBondContact O-CB 2.94Å; V118-Q122 VanDerWaalsContact O-CG 3.27Å; V118-Q122 WeakPolarHBondContact O-CG 3.38Å; V118-Q122 PolarHBondContact O-N 2.98Å; E119-Q122 PolarHBondContact O-N 3.38Å; Q122-E125 PolarHBondContact O-N 2.94Å; Q122-N126 WeakPolarHBondContact O-CB 3.28Å; Q122-N126 PolarHBondContact O-N 3.25Å; Q122-N126 PolarHBondContact O-ND2 3.47Å; Q122-N126 VanDerWaalsContact O-ND2 3.14Å |
| 123 | L | 96 | Very high | 96.3 | Very high | 107 Ų | 107 | 105.1 Ų | 105.1 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 176.2 | -168.4 | 112.9 | 0 | 0 | 0 | 111.3 | E119 E120 F121 E125 N126 Q127 | E119-L123 WeakPolarHBondContact O-CB 3.36Å; E119-L123 PolarHBondContact O-N 2.87Å; E120-L123 PolarHBondContact O-N 2.73Å; F121-L123 VanDerWaalsContact C-N 3.31Å; F121-L123 PolarHBondContact O-N 3.21Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 3.21Å; L123-N126 PolarHBondContact O-N 3.5Å; L123-Q127 VanDerWaalsContact CD2-NE2 3.3Å; L123-Q127 VanDerWaalsContact O-CG 3.32Å; L123-Q127 WeakPolarHBondContact O-CG 3.38Å; L123-Q127 PolarHBondContact O-N 3.03Å |
| 124 | S | 93.5 | Very high | 96.2 | Very high | 50 Ų | 50 | 100.7 Ų | 100.7 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 177 | 78.2 | 0 | 0 | 0 | 0 | 112.5 | E120 F121 Q127 L128 | E120-S124 PolarHBondContact O-N 2.95Å; F121-S124 PolarHBondContact O-N 2.97Å; F121-S124 PolarHBondContact O-OG 3.32Å; S124-Q127 PolarHBondContact O-N 3.4Å; S124-L128 WeakPolarHBondContact O-CG 3.49Å; S124-L128 PolarHBondContact O-N 3.46Å |
| 125 | E | 96.7 | Very high | 96.1 | Very high | 94 Ų | 94 | 101.6 Ų | 101.6 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 176.2 | -171.6 | -169.8 | 173.6 | 0 | 0 | 110.5 | F121 Q122 L123 Q127 L128 K129 | F121-E125 WeakPolarHBondContact O-CB 3.4Å; F121-E125 PolarHBondContact O-N 3.42Å; Q122-E125 PolarHBondContact O-N 2.94Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 3.21Å; E125-Q127 VanDerWaalsContact C-N 3.34Å; E125-Q127 PolarHBondContact O-N 3.31Å; E125-L128 PolarHBondContact O-N 2.8Å; E125-K129 VanDerWaalsContact CD-NZ 3.34Å; E125-K129 HydrophobicContact CG-CD 4.32Å; E125-K129 WeakPolarHBondContact O-CB 3.44Å; E125-K129 WeakPolarHBondContact O-CG 3.34Å; E125-K129 PolarHBondContact O-N 3.43Å; E125-K129 WeakPolarHBondContact OE1-CE 3.43Å; E125-K129 IonicContact OE1-NZ 2.67Å; E125-K129 PolarHBondContact OE1-NZ 3.37Å |
| 126 | N | 96.9 | Very high | 96 | Very high | 96 Ų | 96 | 99.6 Ų | 99.6 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 177.3 | -72.3 | -28.5 | 0 | 0 | 0 | 112.1 | Q122 L123 K129 H130 | Q122-N126 WeakPolarHBondContact O-CB 3.28Å; Q122-N126 PolarHBondContact O-N 3.25Å; Q122-N126 PolarHBondContact O-ND2 3.47Å; Q122-N126 VanDerWaalsContact O-ND2 3.14Å; L123-N126 PolarHBondContact O-N 3.5Å; N126-K129 PolarHBondContact O-N 3.2Å; N126-H130 WeakPolarHBondContact O-CB 3.5Å; N126-H130 PolarHBondContact O-N 3.18Å |
| 127 | Q | 94.8 | Very high | 96 | Very high | 104 Ų | 104 | 102 Ų | 102 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 174.9 | -72.5 | 175.5 | 5.1 | 0 | 0 | 112.1 | L123 S124 E125 H130 K131 | L123-Q127 VanDerWaalsContact CD2-NE2 3.3Å; L123-Q127 VanDerWaalsContact O-CG 3.32Å; L123-Q127 WeakPolarHBondContact O-CG 3.38Å; L123-Q127 PolarHBondContact O-N 3.03Å; S124-Q127 PolarHBondContact O-N 3.4Å; E125-Q127 VanDerWaalsContact C-N 3.34Å; E125-Q127 PolarHBondContact O-N 3.31Å; Q127-H130 PolarHBondContact O-N 3.14Å; Q127-K131 WeakPolarHBondContact O-CG 3.46Å; Q127-K131 PolarHBondContact O-N 3.5Å |
| 128 | L | 95.3 | Very high | 95.9 | Very high | 115 Ų | 115 | 106.1 Ų | 106.1 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -43.3 | 176.5 | -76.8 | 167.4 | 0 | 0 | 0 | 111.6 | S124 E125 H130 K131 L132 | S124-L128 WeakPolarHBondContact O-CG 3.49Å; S124-L128 PolarHBondContact O-N 3.46Å; E125-L128 PolarHBondContact O-N 2.8Å; L128-H130 VanDerWaalsContact C-N 3.34Å; L128-H130 PolarHBondContact O-N 3.01Å; L128-K131 PolarHBondContact O-N 2.89Å; L128-L132 WeakPolarHBondContact O-CB 3.4Å; L128-L132 PolarHBondContact O-N 2.98Å |
| 129 | K | 96.5 | Very high | 95.7 | Very high | 114 Ų | 114 | 107.7 Ų | 107.7 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.1 | -76.9 | 175.9 | -178.8 | 167 | 0 | 111.8 | E125 N126 L132 K133 | E125-K129 VanDerWaalsContact CD-NZ 3.34Å; E125-K129 HydrophobicContact CG-CD 4.32Å; E125-K129 WeakPolarHBondContact O-CB 3.44Å; E125-K129 WeakPolarHBondContact O-CG 3.34Å; E125-K129 PolarHBondContact O-N 3.43Å; E125-K129 WeakPolarHBondContact OE1-CE 3.43Å; E125-K129 IonicContact OE1-NZ 2.67Å; E125-K129 PolarHBondContact OE1-NZ 3.37Å; N126-K129 PolarHBondContact O-N 3.2Å; K129-L132 PolarHBondContact O-N 3Å; K129-K133 WeakPolarHBondContact O-CB 3.35Å; K129-K133 PolarHBondContact O-N 3.2Å |
| 130 | H | 96.8 | Very high | 95.6 | Very high | 121 Ų | 121 | 104.3 Ų | 104.3 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -46 | 177.2 | -178.4 | 58.3 | 0 | 0 | 0 | 112 | N126 Q127 L128 L132 K133 V134 | N126-H130 WeakPolarHBondContact O-CB 3.5Å; N126-H130 PolarHBondContact O-N 3.18Å; Q127-H130 PolarHBondContact O-N 3.14Å; L128-H130 VanDerWaalsContact C-N 3.34Å; L128-H130 PolarHBondContact O-N 3.01Å; H130-L132 VanDerWaalsContact C-N 3.31Å; H130-L132 PolarHBondContact O-N 2.67Å; H130-K133 WeakPolarHBondContact O-CB 3.49Å; H130-K133 PolarHBondContact O-N 3.38Å; H130-K133 VanDerWaalsContact O-N 3.14Å; H130-V134 WeakPolarHBondContact O-CG2 3.48Å; H130-V134 PolarHBondContact O-N 3.04Å |
| 131 | K | 96.5 | Very high | 95.5 | Very high | 127 Ų | 127 | 100.4 Ų | 100.4 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.5 | -43.9 | 174.9 | -74.4 | 176.6 | -178.9 | 177.3 | 0 | 112.1 | Q127 L128 K133 V134 Q135 | Q127-K131 WeakPolarHBondContact O-CG 3.46Å; Q127-K131 PolarHBondContact O-N 3.5Å; L128-K131 PolarHBondContact O-N 2.89Å; K131-K133 VanDerWaalsContact C-N 3.33Å; K131-K133 PolarHBondContact O-N 3.49Å; K131-V134 PolarHBondContact O-N 3.46Å; K131-Q135 WeakPolarHBondContact O-CG 3.36Å; K131-Q135 PolarHBondContact O-N 3.11Å |
| 132 | L | 95.6 | Very high | 95.3 | Very high | 123 Ų | 123 | 98.2 Ų | 98.2 | 64% | 0.644 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 177.3 | -170.1 | 123.4 | 0 | 0 | 0 | 111.5 | L128 K129 H130 Q135 A136 | L128-L132 WeakPolarHBondContact O-CB 3.4Å; L128-L132 PolarHBondContact O-N 2.98Å; K129-L132 PolarHBondContact O-N 3Å; H130-L132 VanDerWaalsContact C-N 3.31Å; H130-L132 PolarHBondContact O-N 2.67Å; L132-Q135 PolarHBondContact O-N 2.9Å; L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 3.44Å |
| 133 | K | 97.1 | Very high | 95 | Very high | 124 Ų | 124 | 98.9 Ų | 98.9 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 175.4 | -171.7 | 178.2 | 177.7 | -175.7 | 0 | 112 | K129 H130 K131 Q135 A136 E137 | K129-K133 WeakPolarHBondContact O-CB 3.35Å; K129-K133 PolarHBondContact O-N 3.2Å; H130-K133 WeakPolarHBondContact O-CB 3.49Å; H130-K133 PolarHBondContact O-N 3.38Å; H130-K133 VanDerWaalsContact O-N 3.14Å; K131-K133 VanDerWaalsContact C-N 3.33Å; K131-K133 PolarHBondContact O-N 3.49Å; K133-Q135 VanDerWaalsContact C-N 3.34Å; K133-Q135 PolarHBondContact O-N 2.92Å; K133-A136 WeakPolarHBondContact O-CB 3.42Å; K133-A136 PolarHBondContact O-N 3.38Å; K133-E137 WeakPolarHBondContact CE-OE1 3.3Å; K133-E137 WeakPolarHBondContact O-CG 3.37Å; K133-E137 PolarHBondContact O-N 3.41Å |
| 134 | V | 95.5 | Very high | 94.7 | Very high | 59 Ų | 59 | 99.3 Ų | 99.3 | 36% | 0.358 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 177.3 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | H130 K131 E137 M138 | H130-V134 WeakPolarHBondContact O-CG2 3.48Å; H130-V134 PolarHBondContact O-N 3.04Å; K131-V134 PolarHBondContact O-N 3.46Å; V134-E137 PolarHBondContact O-N 2.91Å; V134-M138 WeakPolarHBondContact O-CB 3.36Å; V134-M138 PolarHBondContact O-N 3.41Å |
| 135 | Q | 94 | Very high | 94.5 | Very high | 128 Ų | 128 | 101.4 Ų | 101.4 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -38.6 | 175.7 | -74 | 179.7 | -10 | 0 | 0 | 112.3 | K131 L132 K133 M138 L139 | K131-Q135 WeakPolarHBondContact O-CG 3.36Å; K131-Q135 PolarHBondContact O-N 3.11Å; L132-Q135 PolarHBondContact O-N 2.9Å; K133-Q135 VanDerWaalsContact C-N 3.34Å; K133-Q135 PolarHBondContact O-N 2.92Å; Q135-M138 PolarHBondContact O-N 2.76Å; Q135-L139 WeakPolarHBondContact O-CB 3.49Å; Q135-L139 WeakPolarHBondContact O-CG 3.45Å; Q135-L139 PolarHBondContact O-N 3.36Å |
| 136 | A | 95.4 | Very high | 94 | Very high | 56 Ų | 56 | 103 Ų | 103 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L132 K133 L139 S140 | L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 3.44Å; K133-A136 WeakPolarHBondContact O-CB 3.42Å; K133-A136 PolarHBondContact O-N 3.38Å; A136-L139 PolarHBondContact O-N 3.32Å; A136-S140 PolarHBondContact O-N 3.35Å |
| 137 | E | 94.9 | Very high | 93.5 | Very high | 101 Ų | 101 | 104.9 Ų | 104.9 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 175.7 | -71.7 | 169.5 | -179.1 | 0 | 0 | 112 | K133 V134 S140 S141 | K133-E137 WeakPolarHBondContact CE-OE1 3.3Å; K133-E137 WeakPolarHBondContact O-CG 3.37Å; K133-E137 PolarHBondContact O-N 3.41Å; V134-E137 PolarHBondContact O-N 2.91Å; E137-S140 PolarHBondContact O-N 3.36Å; E137-S140 PolarHBondContact O-OG 2.77Å; E137-S141 WeakPolarHBondContact O-CB 3.42Å; E137-S141 PolarHBondContact O-N 2.96Å |
| 138 | M | 94.6 | Very high | 92.9 | Very high | 119 Ų | 119 | 102.1 Ų | 102.1 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 174.6 | -177.6 | -171.1 | -65.3 | 0 | 0 | 111.6 | V134 Q135 S141 K142 | V134-M138 WeakPolarHBondContact O-CB 3.36Å; V134-M138 PolarHBondContact O-N 3.41Å; Q135-M138 PolarHBondContact O-N 2.76Å; M138-S141 PolarHBondContact O-N 2.99Å; M138-K142 WeakPolarHBondContact O-CG 3.35Å; M138-K142 PolarHBondContact O-N 3.39Å |
| 139 | L | 93.8 | Very high | 92 | Very high | 109 Ų | 109 | 102.5 Ų | 102.5 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 176.1 | -80.5 | 167.6 | 0 | 0 | 0 | 111.6 | Q135 A136 K142 M143 | Q135-L139 WeakPolarHBondContact O-CB 3.49Å; Q135-L139 WeakPolarHBondContact O-CG 3.45Å; Q135-L139 PolarHBondContact O-N 3.36Å; A136-L139 PolarHBondContact O-N 3.32Å; L139-K142 PolarHBondContact O-N 2.9Å; L139-M143 WeakPolarHBondContact O-CG 3.49Å; L139-M143 PolarHBondContact O-N 3.02Å |
| 140 | S | 94.6 | Very high | 90.9 | Very high | 57 Ų | 57 | 102.1 Ų | 102.1 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 177.2 | 75.3 | 0 | 0 | 0 | 0 | 111.7 | A136 E137 M143 E144 | A136-S140 PolarHBondContact O-N 3.35Å; E137-S140 PolarHBondContact O-N 3.36Å; E137-S140 PolarHBondContact O-OG 2.77Å; S140-M143 WeakPolarHBondContact O-CB 3.41Å; S140-M143 PolarHBondContact O-N 3.18Å; S140-E144 PolarHBondContact O-N 3.41Å |
| 141 | S | 93.4 | Very high | 89.8 | Confident | 52 Ų | 52 | 102 Ų | 102 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.5 | 172 | 0 | 0 | 0 | 0 | 111.8 | E137 M138 M143 E144 E145 | E137-S141 WeakPolarHBondContact O-CB 3.42Å; E137-S141 PolarHBondContact O-N 2.96Å; M138-S141 PolarHBondContact O-N 2.99Å; S141-M143 VanDerWaalsContact C-N 3.34Å; S141-M143 PolarHBondContact O-N 2.94Å; S141-E144 PolarHBondContact O-N 3.43Å; S141-E144 VanDerWaalsContact O-N 3.16Å; S141-E145 WeakPolarHBondContact O-CG 3.34Å; S141-E145 PolarHBondContact O-N 3.2Å |
| 142 | K | 92.7 | Very high | 88.2 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 46% | 0.457 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 175.2 | -71.4 | -69.3 | 168.3 | -136.1 | 0 | 113 | M138 L139 E144 E145 L146 | M138-K142 WeakPolarHBondContact O-CG 3.35Å; M138-K142 PolarHBondContact O-N 3.39Å; L139-K142 PolarHBondContact O-N 2.9Å; K142-E144 VanDerWaalsContact C-N 3.35Å; K142-E145 WeakPolarHBondContact CD-OE2 3.48Å; K142-E145 IonicContact NZ-OE1 2.81Å; K142-E145 PolarHBondContact NZ-OE1 3.41Å; K142-E145 IonicContact NZ-OE2 3.72Å; K142-E145 PolarHBondContact NZ-OE2 2.93Å; K142-L146 WeakPolarHBondContact O-CG 3.47Å; K142-L146 PolarHBondContact O-N 3.36Å |
| 143 | M | 89.7 | Confident | 86.4 | Confident | 115 Ų | 115 | 99.9 Ų | 99.9 | 57% | 0.567 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.5 | -38.2 | 172.4 | -73 | -174.6 | -154.2 | 0 | 0 | 112.2 | L139 S140 S141 R147 | L139-M143 WeakPolarHBondContact O-CG 3.49Å; L139-M143 PolarHBondContact O-N 3.02Å; S140-M143 WeakPolarHBondContact O-CB 3.41Å; S140-M143 PolarHBondContact O-N 3.18Å; S141-M143 VanDerWaalsContact C-N 3.34Å; S141-M143 PolarHBondContact O-N 2.94Å; M143-R147 PolarHBondContact O-N 3.48Å; M143-R147 VanDerWaalsContact O-N 3.14Å |
| 144 | E | 91.2 | Very high | 84.3 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 175 | -78.8 | 173.8 | -179.1 | 0 | 0 | 112.3 | S140 S141 K142 L146 R147 A148 | S140-E144 PolarHBondContact O-N 3.41Å; S141-E144 PolarHBondContact O-N 3.43Å; S141-E144 VanDerWaalsContact O-N 3.16Å; K142-E144 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 2.85Å; E144-R147 WeakPolarHBondContact O-CB 3.47Å; E144-R147 PolarHBondContact O-N 3.37Å; E144-R147 VanDerWaalsContact O-N 3.1Å; E144-A148 WeakPolarHBondContact O-CB 3.38Å; E144-A148 PolarHBondContact O-N 2.67Å |
| 145 | E | 89.4 | Confident | 82.3 | Confident | 93 Ų | 93 | 102 Ų | 102 | 44% | 0.435 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 173.9 | -75.3 | 176.2 | -155.4 | 0 | 0 | 111.6 | S141 K142 R147 A148 L149 | S141-E145 WeakPolarHBondContact O-CG 3.34Å; S141-E145 PolarHBondContact O-N 3.2Å; K142-E145 WeakPolarHBondContact CD-OE2 3.48Å; K142-E145 IonicContact NZ-OE1 2.81Å; K142-E145 PolarHBondContact NZ-OE1 3.41Å; K142-E145 IonicContact NZ-OE2 3.72Å; K142-E145 PolarHBondContact NZ-OE2 2.93Å; E145-R147 VanDerWaalsContact C-N 3.25Å; E145-R147 PolarHBondContact O-N 2.92Å; E145-A148 PolarHBondContact O-N 3.35Å; E145-L149 WeakPolarHBondContact O-CB 3.47Å; E145-L149 PolarHBondContact O-N 3.08Å |
| 146 | L | 84.8 | Confident | 80.1 | Confident | 129 Ų | 129 | 102 Ų | 102 | 68% | 0.675 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.6 | -36.8 | 176 | -74.6 | 171.6 | 0 | 0 | 0 | 111.9 | K142 E144 N150 | K142-L146 WeakPolarHBondContact O-CG 3.47Å; K142-L146 PolarHBondContact O-N 3.36Å; E144-L146 PolarHBondContact O-N 2.85Å; L146-N150 WeakPolarHBondContact O-CB 3.4Å; L146-N150 PolarHBondContact O-N 2.95Å |
| 147 | R | 87.6 | Confident | 78.7 | Confident | 134 Ų | 134 | 102.7 Ų | 102.7 | 51% | 0.506 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.5 | -46.8 | 176.1 | -166.4 | -176.9 | -62.5 | 115.8 | 1.3 | 111.4 | M143 E144 E145 N150 E151 | M143-R147 PolarHBondContact O-N 3.48Å; M143-R147 VanDerWaalsContact O-N 3.14Å; E144-R147 WeakPolarHBondContact O-CB 3.47Å; E144-R147 PolarHBondContact O-N 3.37Å; E144-R147 VanDerWaalsContact O-N 3.1Å; E145-R147 VanDerWaalsContact C-N 3.25Å; E145-R147 PolarHBondContact O-N 2.92Å; R147-N150 WeakPolarHBondContact O-CB 3.46Å; R147-N150 PolarHBondContact O-N 3.3Å; R147-E151 WeakPolarHBondContact O-CG 3.47Å; R147-E151 PolarHBondContact O-N 3.49Å; R147-E151 VanDerWaalsContact O-N 3.09Å |
| 148 | A | 82.1 | Confident | 77.6 | Confident | 47 Ų | 47 | 102.4 Ų | 102.4 | 39% | 0.388 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E144 E145 N150 E151 N152 | E144-A148 WeakPolarHBondContact O-CB 3.38Å; E144-A148 PolarHBondContact O-N 2.67Å; E145-A148 PolarHBondContact O-N 3.35Å; A148-N150 VanDerWaalsContact C-N 3.32Å; A148-N150 PolarHBondContact O-N 3.47Å; A148-E151 PolarHBondContact O-N 2.84Å; A148-N152 WeakPolarHBondContact O-CB 3.4Å; A148-N152 PolarHBondContact O-N 3.41Å |
| 149 | L | 75.8 | Confident | 76.7 | Confident | 122 Ų | 122 | 102.5 Ų | 102.5 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66 | -37.6 | 176.4 | -161.2 | 144.7 | 0 | 0 | 0 | 111.2 | E145 E151 T153 | E145-L149 WeakPolarHBondContact O-CB 3.47Å; E145-L149 PolarHBondContact O-N 3.08Å; L149-E151 VanDerWaalsContact C-N 3.31Å; L149-E151 PolarHBondContact O-N 3.45Å; L149-T153 WeakPolarHBondContact O-CB 3.32Å; L149-T153 PolarHBondContact O-N 2.96Å; L149-T153 VanDerWaalsContact O-N 3.09Å; L149-T153 PolarHBondContact O-OG1 2.93Å |
| 150 | N | 74.1 | Confident | 76 | Confident | 106 Ų | 106 | 105 Ų | 105 | 57% | 0.567 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.3 | -35.1 | 172.1 | -177 | 69 | 0 | 0 | 0 | 112.6 | L146 R147 A148 | L146-N150 WeakPolarHBondContact O-CB 3.4Å; L146-N150 PolarHBondContact O-N 2.95Å; R147-N150 WeakPolarHBondContact O-CB 3.46Å; R147-N150 PolarHBondContact O-N 3.3Å; A148-N150 VanDerWaalsContact C-N 3.32Å; A148-N150 PolarHBondContact O-N 3.47Å |
| 151 | E | 72.9 | Confident | 75.3 | Confident | 118 Ų | 118 | 107.2 Ų | 107.2 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -75.3 | -45.4 | 175.8 | -71 | 170 | -175.6 | 0 | 0 | 112.5 | R147 A148 L149 T153 Q154 | R147-E151 WeakPolarHBondContact O-CG 3.47Å; R147-E151 PolarHBondContact O-N 3.49Å; R147-E151 VanDerWaalsContact O-N 3.09Å; A148-E151 PolarHBondContact O-N 2.84Å; L149-E151 VanDerWaalsContact C-N 3.31Å; L149-E151 PolarHBondContact O-N 3.45Å; E151-T153 PolarHBondContact O-N 3.14Å; E151-Q154 WeakPolarHBondContact O-CB 3.39Å; E151-Q154 PolarHBondContact O-N 3.49Å |
| 152 | N | 63.3 | Low | 74.8 | Confident | 91 Ų | 91 | 109.8 Ų | 109.8 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.2 | -30.1 | -178.8 | -102.9 | 5 | 0 | 0 | 0 | 113.7 | A148 Q154 S155 | A148-N152 WeakPolarHBondContact O-CB 3.4Å; A148-N152 PolarHBondContact O-N 3.41Å; N152-Q154 PolarHBondContact O-N 3.3Å; N152-S155 PolarHBondContact O-N 3.04Å; N152-S155 PolarHBondContact O-OG 2.98Å |
| 153 | T | 57.1 | Low | 74.5 | Confident | 115 Ų | 115 | 110 Ų | 110 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -14.9 | 173 | -49.9 | 0 | 0 | 0 | 0 | 111.3 | L149 E151 | L149-T153 WeakPolarHBondContact O-CB 3.32Å; L149-T153 PolarHBondContact O-N 2.96Å; L149-T153 VanDerWaalsContact O-N 3.09Å; L149-T153 PolarHBondContact O-OG1 2.93Å; E151-T153 PolarHBondContact O-N 3.14Å |
| 154 | Q | 54.2 | Low | 74.4 | Confident | 165 Ų | 165 | 109.1 Ų | 109.1 | 77% | 0.771 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -0.4 | 174.9 | -53.4 | -165.1 | 0.9 | 0 | 0 | 114.6 | E151 N152 | E151-Q154 WeakPolarHBondContact O-CB 3.39Å; E151-Q154 PolarHBondContact O-N 3.49Å; N152-Q154 PolarHBondContact O-N 3.3Å |
| 155 | S | 52.4 | Low | 74.2 | Confident | 63 Ų | 63 | 108.2 Ų | 108.2 | 44% | 0.441 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -126.4 | 130.3 | -176.3 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | N152 | N152-S155 PolarHBondContact O-N 3.04Å; N152-S155 PolarHBondContact O-OG 2.98Å |
| 156 | S | 49 | Very low | 74.1 | Confident | 128 Ų | 128 | 108 Ų | 108 | 90% | 0.895 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 120.3 | 179.1 | 174.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 157 | M | 64.9 | Low | 74.5 | Confident | 70 Ų | 70 | 107 Ų | 107 | 35% | 0.345 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -92.9 | 144.5 | -171.7 | -143.4 | 77.8 | 148.3 | 0 | 0 | 113.8 | M161 Q165 | M157-M161 HydrophobicContact CE-CE 3.81Å; M157-M161 HydrophobicContact CE-CG 3.74Å; M157-M161 HydrophobicContact CG-CB 4.36Å; M157-M161 HydrophobicContact CG-CG 3.93Å; M157-M161 HydrophobicContact SD-CE 3.56Å; M157-M161 VanDerWaalsContact SD-CE 3.56Å; M157-M161 HydrophobicContact SD-CG 3.89Å; M157-Q165 VanDerWaalsContact CE-CD 3.48Å; M157-Q165 VanDerWaalsContact CE-NE2 3.31Å |
| 158 | T | 71.6 | Confident | 74.5 | Confident | 96 Ų | 96 | 103.6 Ų | 103.6 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 163.8 | 177.8 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | M161 M162 | T158-M161 WeakPolarHBondContact O-CB 3.42Å; T158-M161 PolarHBondContact O-N 3.42Å; T158-M162 PolarHBondContact O-N 3.47Å; T158-M162 VanDerWaalsContact O-N 3.1Å |
| 159 | T | 75.3 | Confident | 74.9 | Confident | 120 Ų | 120 | 106.8 Ų | 106.8 | 74% | 0.736 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.8 | -39.1 | -170.2 | -14 | 0 | 0 | 0 | 0 | 115.2 | M161 M162 E163 | T159-M161 VanDerWaalsContact C-N 3.3Å; T159-M162 WeakPolarHBondContact O-CB 3.39Å; T159-M162 PolarHBondContact O-N 2.98Å; T159-E163 PolarHBondContact O-N 3.47Å |
| 160 | E | 79.1 | Confident | 75.7 | Confident | 161 Ų | 161 | 106.5 Ų | 106.5 | 75% | 0.752 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.7 | -35.4 | 174.1 | -67.3 | 178.6 | 174 | 0 | 0 | 111.3 | M162 E163 V164 | E160-M162 VanDerWaalsContact C-N 3.32Å; E160-M162 PolarHBondContact O-N 3.33Å; E160-E163 PolarHBondContact O-N 3.48Å; E160-V164 WeakPolarHBondContact O-CG2 3.42Å; E160-V164 PolarHBondContact O-N 2.89Å; E160-V164 VanDerWaalsContact O-N 3.12Å |
| 161 | M | 81.8 | Confident | 76.7 | Confident | 105 Ų | 105 | 107.6 Ų | 107.6 | 52% | 0.517 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.8 | -39.6 | 173.7 | -173.7 | 106.4 | 135.9 | 0 | 0 | 110.9 | M157 T158 T159 Q165 | M157-M161 HydrophobicContact CE-CE 3.81Å; M157-M161 HydrophobicContact CE-CG 3.74Å; M157-M161 HydrophobicContact CG-CB 4.36Å; M157-M161 HydrophobicContact CG-CG 3.93Å; M157-M161 HydrophobicContact SD-CE 3.56Å; M157-M161 VanDerWaalsContact SD-CE 3.56Å; M157-M161 HydrophobicContact SD-CG 3.89Å; T158-M161 WeakPolarHBondContact O-CB 3.42Å; T158-M161 PolarHBondContact O-N 3.42Å; T159-M161 VanDerWaalsContact C-N 3.3Å; M161-Q165 WeakPolarHBondContact O-CB 3.31Å; M161-Q165 PolarHBondContact O-N 2.93Å |
| 162 | M | 82.4 | Confident | 77.6 | Confident | 106 Ų | 106 | 107.4 Ų | 107.4 | 52% | 0.522 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.2 | -40.4 | 173.8 | -81.5 | -179.8 | 66.6 | 0 | 0 | 113.1 | T158 T159 E160 Q165 L166 | T158-M162 PolarHBondContact O-N 3.47Å; T158-M162 VanDerWaalsContact O-N 3.1Å; T159-M162 WeakPolarHBondContact O-CB 3.39Å; T159-M162 PolarHBondContact O-N 2.98Å; E160-M162 VanDerWaalsContact C-N 3.32Å; E160-M162 PolarHBondContact O-N 3.33Å; M162-Q165 WeakPolarHBondContact O-CB 3.4Å; M162-Q165 PolarHBondContact O-N 3.31Å; M162-L166 PolarHBondContact O-N 3.03Å |
| 163 | E | 86.4 | Confident | 79 | Confident | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.5 | -39.9 | -179.5 | -160.4 | -168.8 | 150.7 | 0 | 0 | 111.9 | T159 E160 Q165 L166 K167 | T159-E163 PolarHBondContact O-N 3.47Å; E160-E163 PolarHBondContact O-N 3.48Å; E163-Q165 VanDerWaalsContact C-N 3.32Å; E163-L166 PolarHBondContact O-N 3.14Å; E163-K167 PolarHBondContact O-N 3.49Å; E163-K167 VanDerWaalsContact O-N 3.11Å; E163-K167 IonicContact OE1-NZ 2.73Å; E163-K167 PolarHBondContact OE1-NZ 3.37Å |
| 164 | V | 87.8 | Confident | 80.9 | Confident | 95 Ų | 95 | 102.5 Ų | 102.5 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.8 | -40.4 | 171.9 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | E160 L166 K167 T168 | E160-V164 WeakPolarHBondContact O-CG2 3.42Å; E160-V164 PolarHBondContact O-N 2.89Å; E160-V164 VanDerWaalsContact O-N 3.12Å; V164-L166 VanDerWaalsContact C-N 3.35Å; V164-L166 PolarHBondContact O-N 2.98Å; V164-K167 PolarHBondContact O-N 3.48Å; V164-T168 WeakPolarHBondContact O-CB 3.4Å; V164-T168 PolarHBondContact O-N 3.41Å; V164-T168 PolarHBondContact O-OG1 3.4Å |
| 165 | Q | 86.6 | Confident | 82.8 | Confident | 98 Ų | 98 | 100.5 Ų | 100.5 | 46% | 0.458 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 175.9 | -129 | 173.8 | -1.9 | 0 | 0 | 112.3 | M157 M161 M162 E163 T168 M169 | M157-Q165 VanDerWaalsContact CE-CD 3.48Å; M157-Q165 VanDerWaalsContact CE-NE2 3.31Å; M161-Q165 WeakPolarHBondContact O-CB 3.31Å; M161-Q165 PolarHBondContact O-N 2.93Å; M162-Q165 WeakPolarHBondContact O-CB 3.4Å; M162-Q165 PolarHBondContact O-N 3.31Å; E163-Q165 VanDerWaalsContact C-N 3.32Å; Q165-T168 PolarHBondContact O-N 2.89Å; Q165-M169 WeakPolarHBondContact O-CB 3.37Å; Q165-M169 PolarHBondContact O-N 3.29Å |
| 166 | L | 87.6 | Confident | 84.9 | Confident | 88 Ų | 88 | 101.6 Ų | 101.6 | 46% | 0.461 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -49.8 | 176 | -101.1 | 156.4 | 0 | 0 | 0 | 112.3 | M162 E163 V164 T168 M169 E170 | M162-L166 PolarHBondContact O-N 3.03Å; E163-L166 PolarHBondContact O-N 3.14Å; V164-L166 VanDerWaalsContact C-N 3.35Å; V164-L166 PolarHBondContact O-N 2.98Å; L166-T168 VanDerWaalsContact C-N 3.28Å; L166-T168 PolarHBondContact O-N 2.96Å; L166-M169 HydrophobicContact CD2-CE 4.15Å; L166-M169 WeakPolarHBondContact O-CB 3.44Å; L166-M169 PolarHBondContact O-N 3.41Å; L166-E170 WeakPolarHBondContact O-CG 3.45Å; L166-E170 PolarHBondContact O-N 3.46Å |
| 167 | K | 92.1 | Very high | 87.1 | Confident | 110 Ų | 110 | 101.7 Ų | 101.7 | 48% | 0.478 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 176.9 | -74 | 173.7 | -172.4 | 153.8 | 0 | 112.4 | E163 V164 E170 L171 | E163-K167 PolarHBondContact O-N 3.49Å; E163-K167 VanDerWaalsContact O-N 3.11Å; E163-K167 IonicContact OE1-NZ 2.73Å; E163-K167 PolarHBondContact OE1-NZ 3.37Å; V164-K167 PolarHBondContact O-N 3.48Å; K167-E170 PolarHBondContact O-N 3.02Å; K167-L171 WeakPolarHBondContact O-CB 3.36Å; K167-L171 WeakPolarHBondContact O-CG 3.3Å; K167-L171 PolarHBondContact O-N 3.23Å |
| 168 | T | 88.8 | Confident | 88.6 | Confident | 61 Ų | 61 | 104 Ų | 104 | 37% | 0.374 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 175.6 | -52.8 | 0 | 0 | 0 | 0 | 110.1 | V164 Q165 L166 E170 L171 E172 | V164-T168 WeakPolarHBondContact O-CB 3.4Å; V164-T168 PolarHBondContact O-N 3.41Å; V164-T168 PolarHBondContact O-OG1 3.4Å; Q165-T168 PolarHBondContact O-N 2.89Å; L166-T168 VanDerWaalsContact C-N 3.28Å; L166-T168 PolarHBondContact O-N 2.96Å; T168-E170 PolarHBondContact O-N 3.14Å; T168-L171 PolarHBondContact O-N 2.95Å; T168-E172 WeakPolarHBondContact O-CB 3.47Å; T168-E172 VanDerWaalsContact O-CG 3.28Å; T168-E172 WeakPolarHBondContact O-CG 3.33Å; T168-E172 PolarHBondContact O-N 3.24Å |
| 169 | M | 89.7 | Confident | 89.7 | Confident | 115 Ų | 115 | 103.9 Ų | 103.9 | 57% | 0.567 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 176.4 | -169.1 | 177.6 | 69.5 | 0 | 0 | 112.6 | Q165 L166 E172 S173 | Q165-M169 WeakPolarHBondContact O-CB 3.37Å; Q165-M169 PolarHBondContact O-N 3.29Å; L166-M169 HydrophobicContact CD2-CE 4.15Å; L166-M169 WeakPolarHBondContact O-CB 3.44Å; L166-M169 PolarHBondContact O-N 3.41Å; M169-E172 PolarHBondContact O-N 2.9Å; M169-S173 PolarHBondContact O-N 2.94Å; M169-S173 PolarHBondContact O-OG 2.88Å |
| 170 | E | 93.3 | Very high | 90.6 | Very high | 116 Ų | 116 | 103.2 Ų | 103.2 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 176.4 | -73 | 174.5 | 178.9 | 0 | 0 | 112.7 | L166 K167 T168 S173 A174 | L166-E170 WeakPolarHBondContact O-CG 3.45Å; L166-E170 PolarHBondContact O-N 3.46Å; K167-E170 PolarHBondContact O-N 3.02Å; T168-E170 PolarHBondContact O-N 3.14Å; E170-S173 WeakPolarHBondContact CA-OG 3.3Å; E170-S173 PolarHBondContact O-N 3.46Å; E170-S173 PolarHBondContact O-OG 3.32Å; E170-A174 WeakPolarHBondContact O-CB 3.26Å; E170-A174 PolarHBondContact O-N 2.95Å |
| 171 | L | 93.9 | Very high | 91.5 | Very high | 128 Ų | 128 | 98.9 Ų | 98.9 | 67% | 0.67 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.2 | -38.2 | 175.8 | -74.3 | 172.5 | 0 | 0 | 0 | 111.8 | K167 T168 A174 K175 | K167-L171 WeakPolarHBondContact O-CB 3.36Å; K167-L171 WeakPolarHBondContact O-CG 3.3Å; K167-L171 PolarHBondContact O-N 3.23Å; T168-L171 PolarHBondContact O-N 2.95Å; L171-A174 PolarHBondContact O-N 2.89Å; L171-K175 VanDerWaalsContact O-CB 3.3Å; L171-K175 WeakPolarHBondContact O-CB 3.43Å; L171-K175 PolarHBondContact O-N 3.36Å |
| 172 | E | 93.2 | Very high | 92.2 | Very high | 115 Ų | 115 | 98 Ų | 98 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 172.8 | -77.1 | 171.8 | 172.9 | 0 | 0 | 111.3 | T168 M169 K175 V176 | T168-E172 WeakPolarHBondContact O-CB 3.47Å; T168-E172 VanDerWaalsContact O-CG 3.28Å; T168-E172 WeakPolarHBondContact O-CG 3.33Å; T168-E172 PolarHBondContact O-N 3.24Å; M169-E172 PolarHBondContact O-N 2.9Å; E172-K175 PolarHBondContact O-N 3.37Å; E172-V176 WeakPolarHBondContact O-CG2 3.41Å; E172-V176 PolarHBondContact O-N 3.14Å |
| 173 | S | 92.8 | Very high | 92.9 | Very high | 61 Ų | 61 | 99 Ų | 99 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 175 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | M169 E170 K175 V176 E177 | M169-S173 PolarHBondContact O-N 2.94Å; M169-S173 PolarHBondContact O-OG 2.88Å; E170-S173 WeakPolarHBondContact CA-OG 3.3Å; E170-S173 PolarHBondContact O-N 3.46Å; E170-S173 PolarHBondContact O-OG 3.32Å; S173-K175 VanDerWaalsContact C-N 3.31Å; S173-K175 PolarHBondContact O-N 3.44Å; S173-V176 PolarHBondContact O-N 3.39Å; S173-E177 WeakPolarHBondContact O-CG 3.42Å; S173-E177 PolarHBondContact O-N 3.16Å |
| 174 | A | 95.3 | Very high | 93.3 | Very high | 41 Ų | 41 | 98.5 Ų | 98.5 | 34% | 0.339 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E170 L171 E177 L178 | E170-A174 WeakPolarHBondContact O-CB 3.26Å; E170-A174 PolarHBondContact O-N 2.95Å; L171-A174 PolarHBondContact O-N 2.89Å; A174-E177 PolarHBondContact O-N 2.95Å; A174-L178 WeakPolarHBondContact O-CG 3.33Å; A174-L178 PolarHBondContact O-N 2.99Å |
| 175 | K | 95 | Very high | 93.6 | Very high | 124 Ų | 124 | 97.5 Ų | 97.5 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -46 | 173.8 | 178.8 | -173.3 | 166.5 | -169 | 0 | 111.1 | L171 E172 S173 E177 L178 E179 | L171-K175 VanDerWaalsContact O-CB 3.3Å; L171-K175 WeakPolarHBondContact O-CB 3.43Å; L171-K175 PolarHBondContact O-N 3.36Å; E172-K175 PolarHBondContact O-N 3.37Å; S173-K175 VanDerWaalsContact C-N 3.31Å; S173-K175 PolarHBondContact O-N 3.44Å; K175-E177 VanDerWaalsContact C-N 3.34Å; K175-E177 PolarHBondContact O-N 2.84Å; K175-L178 PolarHBondContact O-N 2.94Å; K175-E179 WeakPolarHBondContact CE-OE1 3.33Å; K175-E179 IonicContact NZ-OE1 2.67Å; K175-E179 WeakPolarHBondContact O-CB 3.31Å; K175-E179 WeakPolarHBondContact O-CG 3.49Å; K175-E179 PolarHBondContact O-N 3.18Å |
| 176 | V | 95.5 | Very high | 94.2 | Very high | 85 Ų | 85 | 99.4 Ų | 99.4 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | E172 S173 E179 Q180 | E172-V176 WeakPolarHBondContact O-CG2 3.41Å; E172-V176 PolarHBondContact O-N 3.14Å; S173-V176 PolarHBondContact O-N 3.39Å; V176-E179 PolarHBondContact O-N 3.39Å; V176-Q180 WeakPolarHBondContact O-CB 3.25Å; V176-Q180 PolarHBondContact O-N 3.34Å |
| 177 | E | 95.6 | Very high | 94.6 | Very high | 130 Ų | 130 | 102 Ų | 102 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -42.7 | 175.3 | -71.6 | 177.8 | -179.8 | 0 | 0 | 112.5 | S173 A174 K175 Q180 T181 | S173-E177 WeakPolarHBondContact O-CG 3.42Å; S173-E177 PolarHBondContact O-N 3.16Å; A174-E177 PolarHBondContact O-N 2.95Å; K175-E177 VanDerWaalsContact C-N 3.34Å; K175-E177 PolarHBondContact O-N 2.84Å; E177-Q180 PolarHBondContact O-N 2.86Å; E177-T181 WeakPolarHBondContact O-CG2 3.46Å; E177-T181 PolarHBondContact O-N 2.88Å; E177-T181 PolarHBondContact O-OG1 3.19Å; E177-T181 VanDerWaalsContact O-OG1 3.14Å |
| 178 | L | 96.2 | Very high | 94.8 | Very high | 120 Ų | 120 | 105 Ų | 105 | 63% | 0.628 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.7 | -39.1 | 175.2 | -78.8 | 168.4 | 0 | 0 | 0 | 112.3 | A174 K175 Q180 T181 L182 | A174-L178 WeakPolarHBondContact O-CG 3.33Å; A174-L178 PolarHBondContact O-N 2.99Å; K175-L178 PolarHBondContact O-N 2.94Å; L178-Q180 VanDerWaalsContact C-N 3.34Å; L178-T181 WeakPolarHBondContact CA-OG1 3.34Å; L178-T181 PolarHBondContact O-N 2.99Å; L178-T181 PolarHBondContact O-OG1 3.49Å; L178-L182 VanDerWaalsContact O-CB 3.3Å; L178-L182 WeakPolarHBondContact O-CB 3.39Å; L178-L182 PolarHBondContact O-N 3.43Å |
| 179 | E | 95.4 | Very high | 95.1 | Very high | 92 Ų | 92 | 107.6 Ų | 107.6 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 175.3 | -75.9 | 176.4 | 171.7 | 0 | 0 | 111.6 | K175 V176 L182 Q183 | K175-E179 WeakPolarHBondContact CE-OE1 3.33Å; K175-E179 IonicContact NZ-OE1 2.67Å; K175-E179 WeakPolarHBondContact O-CB 3.31Å; K175-E179 WeakPolarHBondContact O-CG 3.49Å; K175-E179 PolarHBondContact O-N 3.18Å; V176-E179 PolarHBondContact O-N 3.39Å; E179-L182 PolarHBondContact O-N 2.9Å; E179-Q183 PolarHBondContact O-N 3.5Å |
| 180 | Q | 94.9 | Very high | 95.5 | Very high | 107 Ų | 107 | 107.5 Ų | 107.5 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -48.6 | 175.8 | -173.9 | 178.4 | -11.9 | 0 | 0 | 111.7 | V176 E177 L178 L182 Q183 E184 | V176-Q180 WeakPolarHBondContact O-CB 3.25Å; V176-Q180 PolarHBondContact O-N 3.34Å; E177-Q180 PolarHBondContact O-N 2.86Å; L178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-L182 VanDerWaalsContact C-N 3.3Å; Q180-L182 PolarHBondContact O-N 3.32Å; Q180-Q183 PolarHBondContact O-N 3.32Å; Q180-Q183 VanDerWaalsContact O-N 3.14Å; Q180-E184 PolarHBondContact NE2-OE1 2.96Å; Q180-E184 WeakPolarHBondContact O-CG 3.48Å; Q180-E184 PolarHBondContact O-N 3.3Å |
| 181 | T | 96.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 106.5 Ų | 106.5 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 178.4 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | E177 L178 S185 | E177-T181 WeakPolarHBondContact O-CG2 3.46Å; E177-T181 PolarHBondContact O-N 2.88Å; E177-T181 PolarHBondContact O-OG1 3.19Å; E177-T181 VanDerWaalsContact O-OG1 3.14Å; L178-T181 WeakPolarHBondContact CA-OG1 3.34Å; L178-T181 PolarHBondContact O-N 2.99Å; L178-T181 PolarHBondContact O-OG1 3.49Å; T181-S185 WeakPolarHBondContact O-CB 3.2Å; T181-S185 PolarHBondContact O-N 3.31Å; T181-S185 PolarHBondContact O-OG 2.95Å |
| 182 | L | 96.6 | Very high | 95.7 | Very high | 85 Ų | 85 | 105.9 Ų | 105.9 | 45% | 0.445 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 171.9 | -177.2 | 72.8 | 0 | 0 | 0 | 111.5 | L178 E179 Q180 S185 R186 | L178-L182 VanDerWaalsContact O-CB 3.3Å; L178-L182 WeakPolarHBondContact O-CB 3.39Å; L178-L182 PolarHBondContact O-N 3.43Å; E179-L182 PolarHBondContact O-N 2.9Å; Q180-L182 VanDerWaalsContact C-N 3.3Å; Q180-L182 PolarHBondContact O-N 3.32Å; L182-S185 PolarHBondContact O-N 3.34Å; L182-R186 WeakPolarHBondContact O-CG 3.44Å; L182-R186 PolarHBondContact O-N 2.99Å |
| 183 | Q | 96.8 | Very high | 95.9 | Very high | 129 Ų | 129 | 106.2 Ų | 106.2 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 176.4 | -84 | 170.6 | -25.3 | 0 | 0 | 112.3 | E179 Q180 S185 R186 Y187 | E179-Q183 PolarHBondContact O-N 3.5Å; Q180-Q183 PolarHBondContact O-N 3.32Å; Q180-Q183 VanDerWaalsContact O-N 3.14Å; Q183-S185 VanDerWaalsContact C-N 3.3Å; Q183-S185 PolarHBondContact O-N 2.97Å; Q183-R186 PolarHBondContact O-N 3.14Å; Q183-Y187 PolarHBondContact O-N 2.98Å |
| 184 | E | 96.4 | Very high | 96 | Very high | 99 Ų | 99 | 109.1 Ų | 109.1 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 175 | -72.9 | 175.5 | -169.7 | 0 | 0 | 111.7 | Q180 Y187 R188 | Q180-E184 PolarHBondContact NE2-OE1 2.96Å; Q180-E184 WeakPolarHBondContact O-CG 3.48Å; Q180-E184 PolarHBondContact O-N 3.3Å; E184-Y187 PolarHBondContact O-N 2.96Å; E184-R188 PolarHBondContact O-N 3.3Å |
| 185 | S | 94.3 | Very high | 96.1 | Very high | 74 Ų | 74 | 109.7 Ų | 109.7 | 52% | 0.517 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 176.4 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | T181 L182 Q183 Y187 R188 E189 | T181-S185 WeakPolarHBondContact O-CB 3.2Å; T181-S185 PolarHBondContact O-N 3.31Å; T181-S185 PolarHBondContact O-OG 2.95Å; L182-S185 PolarHBondContact O-N 3.34Å; Q183-S185 VanDerWaalsContact C-N 3.3Å; Q183-S185 PolarHBondContact O-N 2.97Å; S185-Y187 VanDerWaalsContact C-N 3.34Å; S185-Y187 PolarHBondContact O-N 3.49Å; S185-R188 WeakPolarHBondContact O-CB 3.42Å; S185-R188 PolarHBondContact O-N 3.43Å; S185-E189 PolarHBondContact O-N 2.89Å |
| 186 | R | 97.4 | Very high | 96.2 | Very high | 138 Ų | 138 | 108.8 Ų | 108.8 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 176.1 | -74.7 | 175.3 | 178.4 | 177 | 1.1 | 112.6 | L182 Q183 R188 E189 Q190 | L182-R186 WeakPolarHBondContact O-CG 3.44Å; L182-R186 PolarHBondContact O-N 2.99Å; Q183-R186 PolarHBondContact O-N 3.14Å; R186-R188 VanDerWaalsContact C-N 3.33Å; R186-E189 PolarHBondContact O-N 3.38Å; R186-Q190 WeakPolarHBondContact O-CG 3.43Å; R186-Q190 PolarHBondContact O-N 3.38Å |
| 187 | Y | 96.2 | Very high | 96.3 | Very high | 142 Ų | 142 | 106.4 Ų | 106.4 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 176.2 | -177.4 | -99.8 | 0 | 0 | 0 | 111.3 | Q183 E184 S185 E189 Q190 Q191 | Q183-Y187 PolarHBondContact O-N 2.98Å; E184-Y187 PolarHBondContact O-N 2.96Å; S185-Y187 VanDerWaalsContact C-N 3.34Å; S185-Y187 PolarHBondContact O-N 3.49Å; Y187-E189 VanDerWaalsContact C-N 3.34Å; Y187-E189 PolarHBondContact O-N 2.86Å; Y187-Q190 PolarHBondContact O-N 3.32Å; Y187-Q191 HydrophobicContact CD1-CG 4.36Å; Y187-Q191 VanDerWaalsContact CE1-CD 3.44Å; Y187-Q191 HydrophobicContact CE1-CG 4.01Å; Y187-Q191 WeakPolarHBondContact O-CG 3.41Å; Y187-Q191 PolarHBondContact O-N 3.05Å; Y187-Q191 PolarHBondContact OH-NE2 3.47Å |
| 188 | R | 97.6 | Very high | 96.3 | Very high | 173 Ų | 173 | 108.3 Ų | 108.3 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | 173.8 | -123.3 | -175.4 | -172.8 | 94.5 | 1.5 | 112.1 | E184 S185 R186 Q191 L192 | E184-R188 PolarHBondContact O-N 3.3Å; S185-R188 WeakPolarHBondContact O-CB 3.42Å; S185-R188 PolarHBondContact O-N 3.43Å; R186-R188 VanDerWaalsContact C-N 3.33Å; R188-Q191 PolarHBondContact O-N 2.99Å; R188-L192 WeakPolarHBondContact O-CG 3.35Å; R188-L192 PolarHBondContact O-N 3.49Å |
| 189 | E | 95.2 | Very high | 96.4 | Very high | 116 Ų | 116 | 107 Ų | 107 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 177.2 | -172.7 | 173.8 | -160.7 | 0 | 0 | 111.4 | S185 R186 Y187 Q191 L192 E193 | S185-E189 PolarHBondContact O-N 2.89Å; R186-E189 PolarHBondContact O-N 3.38Å; Y187-E189 VanDerWaalsContact C-N 3.34Å; Y187-E189 PolarHBondContact O-N 2.86Å; E189-Q191 VanDerWaalsContact C-N 3.32Å; E189-Q191 PolarHBondContact O-N 3.4Å; E189-L192 WeakPolarHBondContact O-CB 3.33Å; E189-L192 PolarHBondContact O-N 3Å; E189-L192 VanDerWaalsContact O-N 3.08Å; E189-E193 PolarHBondContact O-N 3.4Å |
| 190 | Q | 97.2 | Very high | 96.5 | Very high | 112 Ų | 112 | 107.9 Ų | 107.9 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 176 | -72.1 | 174.5 | 3.6 | 0 | 0 | 112.6 | R186 Y187 L192 E193 L194 | R186-Q190 WeakPolarHBondContact O-CG 3.43Å; R186-Q190 PolarHBondContact O-N 3.38Å; Y187-Q190 PolarHBondContact O-N 3.32Å; Q190-L192 VanDerWaalsContact C-N 3.33Å; Q190-L192 PolarHBondContact O-N 2.91Å; Q190-E193 PolarHBondContact O-N 3.35Å; Q190-L194 WeakPolarHBondContact O-CG 3.36Å; Q190-L194 PolarHBondContact O-N 3.49Å |
| 191 | Q | 93.3 | Very high | 96.7 | Very high | 96 Ų | 96 | 109.5 Ų | 109.5 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 174.3 | -76.1 | -170.2 | -25.2 | 0 | 0 | 112.1 | Y187 R188 E189 L194 S195 | Y187-Q191 HydrophobicContact CD1-CG 4.36Å; Y187-Q191 VanDerWaalsContact CE1-CD 3.44Å; Y187-Q191 HydrophobicContact CE1-CG 4.01Å; Y187-Q191 WeakPolarHBondContact O-CG 3.41Å; Y187-Q191 PolarHBondContact O-N 3.05Å; Y187-Q191 PolarHBondContact OH-NE2 3.47Å; R188-Q191 PolarHBondContact O-N 2.99Å; E189-Q191 VanDerWaalsContact C-N 3.32Å; E189-Q191 PolarHBondContact O-N 3.4Å; Q191-L194 PolarHBondContact O-N 3.03Å; Q191-S195 PolarHBondContact O-N 2.94Å |
| 192 | L | 97.5 | Very high | 96.7 | Very high | 115 Ų | 115 | 109.6 Ų | 109.6 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.4 | -44.1 | 176.3 | -72.6 | 172.1 | 0 | 0 | 0 | 111.3 | R188 E189 Q190 L194 S195 N196 | R188-L192 WeakPolarHBondContact O-CG 3.35Å; R188-L192 PolarHBondContact O-N 3.49Å; E189-L192 WeakPolarHBondContact O-CB 3.33Å; E189-L192 PolarHBondContact O-N 3Å; E189-L192 VanDerWaalsContact O-N 3.08Å; Q190-L192 VanDerWaalsContact C-N 3.33Å; Q190-L192 PolarHBondContact O-N 2.91Å; L192-L194 PolarHBondContact O-N 3.21Å; L192-S195 PolarHBondContact O-N 3.45Å; L192-S195 PolarHBondContact O-OG 3.36Å; L192-N196 WeakPolarHBondContact O-CB 3.35Å; L192-N196 PolarHBondContact O-N 3.36Å |
| 193 | E | 97.9 | Very high | 96.7 | Very high | 121 Ų | 121 | 111 Ų | 111 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.8 | -44.7 | 175.9 | -75 | -178.4 | 157.2 | 0 | 0 | 112.2 | E189 Q190 S195 N196 S197 | E189-E193 PolarHBondContact O-N 3.4Å; Q190-E193 PolarHBondContact O-N 3.35Å; E193-S195 VanDerWaalsContact C-N 3.35Å; E193-S195 PolarHBondContact O-N 3.43Å; E193-N196 PolarHBondContact O-N 3.49Å; E193-S197 WeakPolarHBondContact O-CB 3.46Å; E193-S197 PolarHBondContact O-N 2.82Å |
| 194 | L | 96.3 | Very high | 96.8 | Very high | 123 Ų | 123 | 109.3 Ų | 109.3 | 64% | 0.644 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.7 | -45.2 | 175.2 | -71.9 | 173.7 | 0 | 0 | 0 | 111.3 | Q190 Q191 L192 N196 S197 R198 | Q190-L194 WeakPolarHBondContact O-CG 3.36Å; Q190-L194 PolarHBondContact O-N 3.49Å; Q191-L194 PolarHBondContact O-N 3.03Å; L192-L194 PolarHBondContact O-N 3.21Å; L194-N196 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 3.44Å; L194-S197 PolarHBondContact O-N 3Å; L194-S197 PolarHBondContact O-OG 3.47Å; L194-R198 PolarHBondContact O-N 3.4Å |
| 195 | S | 96.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 111.1 Ų | 111.1 | 37% | 0.371 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 177.1 | 79.3 | 0 | 0 | 0 | 0 | 112.2 | Q191 L192 E193 R198 L199 | Q191-S195 PolarHBondContact O-N 2.94Å; L192-S195 PolarHBondContact O-N 3.45Å; L192-S195 PolarHBondContact O-OG 3.36Å; E193-S195 VanDerWaalsContact C-N 3.35Å; E193-S195 PolarHBondContact O-N 3.43Å; S195-R198 WeakPolarHBondContact O-CB 3.36Å; S195-R198 PolarHBondContact O-N 2.93Å; S195-L199 WeakPolarHBondContact O-CG 3.45Å; S195-L199 PolarHBondContact O-N 2.85Å |
| 196 | N | 96.5 | Very high | 97 | Very high | 104 Ų | 104 | 112.5 Ų | 112.5 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.6 | -43.5 | 179.1 | -155 | -2.2 | 0 | 0 | 0 | 110.4 | L192 E193 L194 R198 L199 Q200 | L192-N196 WeakPolarHBondContact O-CB 3.35Å; L192-N196 PolarHBondContact O-N 3.36Å; E193-N196 PolarHBondContact O-N 3.49Å; L194-N196 VanDerWaalsContact C-N 3.33Å; L194-N196 PolarHBondContact O-N 3.44Å; N196-R198 VanDerWaalsContact C-N 3.25Å; N196-R198 PolarHBondContact O-N 2.92Å; N196-L199 PolarHBondContact O-N 3Å; N196-Q200 WeakPolarHBondContact O-CB 3.37Å; N196-Q200 PolarHBondContact O-N 3.05Å |
| 197 | S | 97.6 | Very high | 97 | Very high | 35 Ų | 35 | 109.5 Ų | 109.5 | 25% | 0.245 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -61.5 | -33.5 | 174.1 | 83.6 | 0 | 0 | 0 | 0 | 112.6 | E193 L194 R201 | E193-S197 WeakPolarHBondContact O-CB 3.46Å; E193-S197 PolarHBondContact O-N 2.82Å; L194-S197 PolarHBondContact O-N 3Å; L194-S197 PolarHBondContact O-OG 3.47Å; S197-R201 VanDerWaalsContact C-NH1 3.32Å; S197-R201 WeakPolarHBondContact O-CG 3.27Å; S197-R201 PolarHBondContact O-N 2.9Å; S197-R201 PolarHBondContact O-NH1 3.26Å; S197-R201 PolarHBondContact OG-NH1 3.38Å |
| 198 | R | 97.1 | Very high | 97.1 | Very high | 170 Ų | 170 | 108 Ų | 108 | 64% | 0.642 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.8 | -44.1 | 176.2 | -177.6 | -179.6 | 176.8 | -176.6 | 0.8 | 111.1 | L194 S195 N196 Q200 Q202 | L194-R198 PolarHBondContact O-N 3.4Å; S195-R198 WeakPolarHBondContact O-CB 3.36Å; S195-R198 PolarHBondContact O-N 2.93Å; N196-R198 VanDerWaalsContact C-N 3.25Å; N196-R198 PolarHBondContact O-N 2.92Å; R198-Q200 VanDerWaalsContact C-N 3.34Å; R198-Q202 WeakPolarHBondContact O-CG 3.22Å; R198-Q202 PolarHBondContact O-N 2.84Å; R198-Q202 VanDerWaalsContact O-N 3.07Å |
| 199 | L | 97.7 | Very high | 97 | Very high | 94 Ų | 94 | 104 Ų | 104 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 176.3 | -72.1 | 170.3 | 0 | 0 | 0 | 111.2 | S195 N196 Q202 L203 | S195-L199 WeakPolarHBondContact O-CG 3.45Å; S195-L199 PolarHBondContact O-N 2.85Å; N196-L199 PolarHBondContact O-N 3Å; L199-Q202 WeakPolarHBondContact O-CB 3.47Å; L199-Q202 PolarHBondContact O-N 2.93Å; L199-Q202 VanDerWaalsContact O-N 3.12Å; L199-L203 WeakPolarHBondContact O-CG 3.39Å; L199-L203 PolarHBondContact O-N 3.07Å |
| 200 | Q | 97.9 | Very high | 97.1 | Very high | 109 Ų | 109 | 104.4 Ų | 104.4 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 177.7 | -166.9 | 169.4 | -0 | 0 | 0 | 111.9 | N196 R198 Q202 L203 E204 | N196-Q200 WeakPolarHBondContact O-CB 3.37Å; N196-Q200 PolarHBondContact O-N 3.05Å; R198-Q200 VanDerWaalsContact C-N 3.34Å; Q200-Q202 PolarHBondContact O-N 3.04Å; Q200-L203 WeakPolarHBondContact O-CB 3.46Å; Q200-L203 PolarHBondContact O-N 2.88Å; Q200-L203 VanDerWaalsContact O-N 3.13Å; Q200-E204 WeakPolarHBondContact O-CG 3.38Å; Q200-E204 PolarHBondContact O-N 3.48Å |
| 201 | R | 97.7 | Very high | 97.2 | Very high | 141 Ų | 141 | 104.3 Ų | 104.3 | 53% | 0.532 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -25.8 | 173.3 | -68.4 | -177.6 | -164.3 | 94.8 | -10.1 | 113.8 | S197 R205 | S197-R201 VanDerWaalsContact C-NH1 3.32Å; S197-R201 WeakPolarHBondContact O-CG 3.27Å; S197-R201 PolarHBondContact O-N 2.9Å; S197-R201 PolarHBondContact O-NH1 3.26Å; S197-R201 PolarHBondContact OG-NH1 3.38Å; R201-R205 WeakPolarHBondContact O-CG 3.49Å; R201-R205 PolarHBondContact O-N 3.48Å; R201-R205 PolarHBondContact O-NE 3.37Å |
| 202 | Q | 97.8 | Very high | 97.3 | Very high | 72 Ų | 72 | 104.2 Ų | 104.2 | 34% | 0.336 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.1 | -40.9 | 173 | -79.8 | 177.7 | -29.2 | 0 | 0 | 111 | R198 L199 Q200 R205 L206 | R198-Q202 WeakPolarHBondContact O-CG 3.22Å; R198-Q202 PolarHBondContact O-N 2.84Å; R198-Q202 VanDerWaalsContact O-N 3.07Å; L199-Q202 WeakPolarHBondContact O-CB 3.47Å; L199-Q202 PolarHBondContact O-N 2.93Å; L199-Q202 VanDerWaalsContact O-N 3.12Å; Q200-Q202 PolarHBondContact O-N 3.04Å; Q202-R205 VanDerWaalsContact CG-NH2 3.3Å; Q202-R205 PolarHBondContact O-N 2.92Å; Q202-L206 WeakPolarHBondContact O-CB 3.47Å; Q202-L206 WeakPolarHBondContact O-CG 3.3Å; Q202-L206 PolarHBondContact O-N 3.49Å |
| 203 | L | 96.8 | Very high | 97.3 | Very high | 114 Ų | 114 | 106.4 Ų | 106.4 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -45.8 | 174.7 | -72.9 | 171.4 | 0 | 0 | 0 | 111.3 | L199 Q200 R205 L206 T207 | L199-L203 WeakPolarHBondContact O-CG 3.39Å; L199-L203 PolarHBondContact O-N 3.07Å; Q200-L203 WeakPolarHBondContact O-CB 3.46Å; Q200-L203 PolarHBondContact O-N 2.88Å; Q200-L203 VanDerWaalsContact O-N 3.13Å; L203-R205 PolarHBondContact O-N 3.29Å; L203-L206 PolarHBondContact O-N 2.76Å; L203-T207 WeakPolarHBondContact O-CG2 3.35Å; L203-T207 PolarHBondContact O-N 3.35Å; L203-T207 PolarHBondContact O-OG1 3.45Å; L203-T207 VanDerWaalsContact O-OG1 3.13Å |
| 204 | E | 97.3 | Very high | 97.2 | Very high | 94 Ų | 94 | 105.1 Ų | 105.1 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.7 | -47.7 | 177.3 | -73 | 164.1 | -175.6 | 0 | 0 | 112 | Q200 L206 T207 E208 | Q200-E204 WeakPolarHBondContact O-CG 3.38Å; Q200-E204 PolarHBondContact O-N 3.48Å; E204-L206 PolarHBondContact O-N 2.88Å; E204-T207 VanDerWaalsContact C-OG1 3.29Å; E204-T207 VanDerWaalsContact CA-OG1 3.28Å; E204-T207 WeakPolarHBondContact CA-OG1 3.35Å; E204-T207 PolarHBondContact O-N 3.49Å; E204-T207 PolarHBondContact O-OG1 3.28Å; E204-E208 WeakPolarHBondContact O-CG 3.36Å; E204-E208 PolarHBondContact O-N 2.96Å |
| 205 | R | 98.1 | Very high | 97.3 | Very high | 137 Ų | 137 | 106.3 Ų | 106.3 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.6 | -75.1 | -178.1 | -72.5 | 158 | -9.9 | 112.9 | R201 Q202 L203 T207 E208 E209 | R201-R205 WeakPolarHBondContact O-CG 3.49Å; R201-R205 PolarHBondContact O-N 3.48Å; R201-R205 PolarHBondContact O-NE 3.37Å; Q202-R205 VanDerWaalsContact CG-NH2 3.3Å; Q202-R205 PolarHBondContact O-N 2.92Å; L203-R205 PolarHBondContact O-N 3.29Å; R205-T207 VanDerWaalsContact C-N 3.28Å; R205-T207 PolarHBondContact O-N 2.89Å; R205-E208 PolarHBondContact O-N 3.1Å; R205-E209 WeakPolarHBondContact O-CG 3.41Å; R205-E209 PolarHBondContact O-N 2.84Å |
| 206 | L | 97.7 | Very high | 97.3 | Very high | 104 Ų | 104 | 108.9 Ų | 108.9 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -33.9 | 177.2 | -74.7 | 172 | 0 | 0 | 0 | 112 | Q202 L203 E204 K210 | Q202-L206 WeakPolarHBondContact O-CB 3.47Å; Q202-L206 WeakPolarHBondContact O-CG 3.3Å; Q202-L206 PolarHBondContact O-N 3.49Å; L203-L206 PolarHBondContact O-N 2.76Å; E204-L206 PolarHBondContact O-N 2.88Å; L206-K210 WeakPolarHBondContact O-CB 3.45Å; L206-K210 PolarHBondContact O-N 3.39Å |
| 207 | T | 97.5 | Very high | 97.3 | Very high | 74 Ų | 74 | 105.8 Ų | 105.8 | 45% | 0.454 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 174.4 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | L203 E204 R205 K210 E211 | L203-T207 WeakPolarHBondContact O-CG2 3.35Å; L203-T207 PolarHBondContact O-N 3.35Å; L203-T207 PolarHBondContact O-OG1 3.45Å; L203-T207 VanDerWaalsContact O-OG1 3.13Å; E204-T207 VanDerWaalsContact C-OG1 3.29Å; E204-T207 VanDerWaalsContact CA-OG1 3.28Å; E204-T207 WeakPolarHBondContact CA-OG1 3.35Å; E204-T207 PolarHBondContact O-N 3.49Å; E204-T207 PolarHBondContact O-OG1 3.28Å; R205-T207 VanDerWaalsContact C-N 3.28Å; R205-T207 PolarHBondContact O-N 2.89Å; T207-K210 WeakPolarHBondContact O-CB 3.47Å; T207-K210 PolarHBondContact O-N 3.25Å; T207-E211 WeakPolarHBondContact O-CG 3.37Å; T207-E211 PolarHBondContact O-N 2.96Å |
| 208 | E | 97.4 | Very high | 97.3 | Very high | 112 Ų | 112 | 108.1 Ų | 108.1 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 175.4 | -70.8 | 170.5 | 174.7 | 0 | 0 | 111.5 | E204 R205 K210 E211 E212 | E204-E208 WeakPolarHBondContact O-CG 3.36Å; E204-E208 PolarHBondContact O-N 2.96Å; R205-E208 PolarHBondContact O-N 3.1Å; E208-K210 VanDerWaalsContact C-N 3.25Å; E208-K210 PolarHBondContact O-N 2.92Å; E208-E211 PolarHBondContact O-N 3.44Å; E208-E212 WeakPolarHBondContact O-CG 3.47Å; E208-E212 PolarHBondContact O-N 3.01Å |
| 209 | E | 96.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 102.7 Ų | 102.7 | 41% | 0.407 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -35 | 175.8 | -75.4 | -177.6 | -157.4 | 0 | 0 | 112.5 | R205 R213 | R205-E209 WeakPolarHBondContact O-CG 3.41Å; R205-E209 PolarHBondContact O-N 2.84Å; E209-R213 WeakPolarHBondContact O-CG 3.4Å; E209-R213 PolarHBondContact O-N 3.23Å; E209-R213 VanDerWaalsContact O-N 3.11Å; E209-R213 IonicContact OE2-NH1 3.86Å |
| 210 | K | 97.8 | Very high | 97.2 | Very high | 126 Ų | 126 | 106.7 Ų | 106.7 | 55% | 0.548 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.1 | -47.6 | 175.6 | -176.1 | -165.1 | 172.2 | -138 | 0 | 110.4 | L206 T207 E208 E212 R213 E214 | L206-K210 WeakPolarHBondContact O-CB 3.45Å; L206-K210 PolarHBondContact O-N 3.39Å; T207-K210 WeakPolarHBondContact O-CB 3.47Å; T207-K210 PolarHBondContact O-N 3.25Å; E208-K210 VanDerWaalsContact C-N 3.25Å; E208-K210 PolarHBondContact O-N 2.92Å; K210-E212 VanDerWaalsContact C-N 3.3Å; K210-E212 PolarHBondContact O-N 2.88Å; K210-R213 PolarHBondContact O-N 2.9Å; K210-E214 WeakPolarHBondContact CE-OE1 3.4Å; K210-E214 IonicContact NZ-OE1 3.59Å; K210-E214 PolarHBondContact NZ-OE1 3Å; K210-E214 WeakPolarHBondContact O-CG 3.35Å; K210-E214 PolarHBondContact O-N 3.45Å |
| 211 | E | 97.6 | Very high | 97.1 | Very high | 109 Ų | 109 | 108.1 Ų | 108.1 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 177.6 | -71.5 | 178.5 | -176.9 | 0 | 0 | 112.2 | T207 E208 E214 R215 | T207-E211 WeakPolarHBondContact O-CG 3.37Å; T207-E211 PolarHBondContact O-N 2.96Å; E208-E211 PolarHBondContact O-N 3.44Å; E211-E214 PolarHBondContact O-N 3.41Å; E211-R215 WeakPolarHBondContact O-CB 3.41Å; E211-R215 WeakPolarHBondContact O-CG 3.46Å; E211-R215 PolarHBondContact O-N 3.18Å |
| 212 | E | 96.8 | Very high | 97.2 | Very high | 94 Ų | 94 | 105.5 Ų | 105.5 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 172.3 | -78.6 | -177.5 | 170.7 | 0 | 0 | 112.1 | E208 K210 E214 R215 E216 | E208-E212 WeakPolarHBondContact O-CG 3.47Å; E208-E212 PolarHBondContact O-N 3.01Å; K210-E212 VanDerWaalsContact C-N 3.3Å; K210-E212 PolarHBondContact O-N 2.88Å; E212-E214 VanDerWaalsContact C-N 3.28Å; E212-E214 PolarHBondContact O-N 3.01Å; E212-R215 WeakPolarHBondContact O-CB 3.31Å; E212-R215 PolarHBondContact O-N 3.18Å; E212-R215 VanDerWaalsContact O-N 3.16Å; E212-R215 IonicContact OE1-NH2 3.45Å; E212-E216 WeakPolarHBondContact O-CG 3.42Å; E212-E216 PolarHBondContact O-N 3.01Å |
| 213 | R | 96.1 | Very high | 97.1 | Very high | 162 Ų | 162 | 105.8 Ų | 105.8 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63 | -35.8 | 176.6 | -73.6 | -164.2 | -176.9 | 89.1 | 0.4 | 112.6 | E209 K210 E216 A217 | E209-R213 WeakPolarHBondContact O-CG 3.4Å; E209-R213 PolarHBondContact O-N 3.23Å; E209-R213 VanDerWaalsContact O-N 3.11Å; E209-R213 IonicContact OE2-NH1 3.86Å; K210-R213 PolarHBondContact O-N 2.9Å; R213-E216 PolarHBondContact O-N 3.29Å; R213-A217 WeakPolarHBondContact O-CB 3.41Å; R213-A217 PolarHBondContact O-N 2.81Å |
| 214 | E | 96.5 | Very high | 97.1 | Very high | 94 Ų | 94 | 103.7 Ų | 103.7 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 173.6 | -73.7 | 176.6 | -177.7 | 0 | 0 | 111.2 | K210 E211 E212 E216 A217 V218 | K210-E214 WeakPolarHBondContact CE-OE1 3.4Å; K210-E214 IonicContact NZ-OE1 3.59Å; K210-E214 PolarHBondContact NZ-OE1 3Å; K210-E214 WeakPolarHBondContact O-CG 3.35Å; K210-E214 PolarHBondContact O-N 3.45Å; E211-E214 PolarHBondContact O-N 3.41Å; E212-E214 VanDerWaalsContact C-N 3.28Å; E212-E214 PolarHBondContact O-N 3.01Å; E214-E216 PolarHBondContact O-N 3.24Å; E214-A217 PolarHBondContact O-N 3.38Å; E214-V218 WeakPolarHBondContact O-CG2 3.41Å; E214-V218 PolarHBondContact O-N 3.46Å |
| 215 | R | 97.9 | Very high | 97.1 | Very high | 147 Ų | 147 | 103.9 Ų | 103.9 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.9 | -45.6 | 174 | -78.7 | -176.2 | -85.1 | 127.5 | -15.6 | 112.1 | E211 E212 V218 S219 | E211-R215 WeakPolarHBondContact O-CB 3.41Å; E211-R215 WeakPolarHBondContact O-CG 3.46Å; E211-R215 PolarHBondContact O-N 3.18Å; E212-R215 WeakPolarHBondContact O-CB 3.31Å; E212-R215 PolarHBondContact O-N 3.18Å; E212-R215 VanDerWaalsContact O-N 3.16Å; E212-R215 IonicContact OE1-NH2 3.45Å; R215-V218 PolarHBondContact O-N 3.46Å; R215-S219 PolarHBondContact O-N 3.49Å |
| 216 | E | 97.4 | Very high | 97.1 | Very high | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 175.4 | -72.7 | 178.2 | 178.9 | 0 | 0 | 110.9 | E212 R213 E214 V218 S219 W220 | E212-E216 WeakPolarHBondContact O-CG 3.42Å; E212-E216 PolarHBondContact O-N 3.01Å; R213-E216 PolarHBondContact O-N 3.29Å; E214-E216 PolarHBondContact O-N 3.24Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.18Å; E216-S219 WeakPolarHBondContact O-CB 3.28Å; E216-S219 PolarHBondContact O-N 3.26Å; E216-S219 PolarHBondContact O-OG 3.01Å; E216-W220 PolarHBondContact O-N 2.92Å |
| 217 | A | 95.7 | Very high | 96.9 | Very high | 40 Ų | 40 | 101 Ų | 101 | 33% | 0.331 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.7 | -47 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R213 E214 S219 W220 F221 | R213-A217 WeakPolarHBondContact O-CB 3.41Å; R213-A217 PolarHBondContact O-N 2.81Å; E214-A217 PolarHBondContact O-N 3.38Å; A217-S219 VanDerWaalsContact C-N 3.3Å; A217-S219 PolarHBondContact O-N 2.86Å; A217-W220 PolarHBondContact O-N 3.03Å; A217-F221 WeakPolarHBondContact O-CD2 3.46Å; A217-F221 PolarHBondContact O-N 2.85Å |
| 218 | V | 97.4 | Very high | 96.9 | Very high | 83 Ų | 83 | 103.8 Ų | 103.8 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 175.9 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | E214 R215 E216 W220 F221 N222 | E214-V218 WeakPolarHBondContact O-CG2 3.41Å; E214-V218 PolarHBondContact O-N 3.46Å; R215-V218 PolarHBondContact O-N 3.46Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.18Å; V218-W220 PolarHBondContact O-N 3.39Å; V218-F221 PolarHBondContact O-N 3.03Å; V218-N222 WeakPolarHBondContact O-CB 3.34Å; V218-N222 PolarHBondContact O-N 3.44Å; V218-N222 PolarHBondContact O-ND2 3.43Å |
| 219 | S | 96.3 | Very high | 96.9 | Very high | 56 Ų | 56 | 103.2 Ų | 103.2 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.4 | 81.7 | 0 | 0 | 0 | 0 | 112.7 | R215 E216 A217 N222 T223 | R215-S219 PolarHBondContact O-N 3.49Å; E216-S219 WeakPolarHBondContact O-CB 3.28Å; E216-S219 PolarHBondContact O-N 3.26Å; E216-S219 PolarHBondContact O-OG 3.01Å; A217-S219 VanDerWaalsContact C-N 3.3Å; A217-S219 PolarHBondContact O-N 2.86Å; S219-N222 PolarHBondContact O-N 2.83Å; S219-T223 WeakPolarHBondContact O-CG2 3.45Å; S219-T223 PolarHBondContact O-N 2.7Å; S219-T223 PolarHBondContact O-OG1 3.08Å |
| 220 | W | 96.5 | Very high | 96.9 | Very high | 179 Ų | 179 | 104.2 Ų | 104.2 | 68% | 0.678 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.5 | -40 | 175.5 | -69.2 | 120 | 0 | 0 | 0 | 111.9 | E216 A217 V218 T223 L224 | E216-W220 PolarHBondContact O-N 2.92Å; A217-W220 PolarHBondContact O-N 3.03Å; V218-W220 PolarHBondContact O-N 3.39Å; W220-T223 WeakPolarHBondContact CA-OG1 3.42Å; W220-T223 PolarHBondContact O-OG1 2.9Å; W220-L224 VanDerWaalsContact O-CB 3.27Å; W220-L224 WeakPolarHBondContact O-CB 3.34Å; W220-L224 PolarHBondContact O-N 3.24Å |
| 221 | F | 97.2 | Very high | 96.8 | Very high | 139 Ų | 139 | 103.2 Ų | 103.2 | 61% | 0.61 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 174 | -78.3 | -63.4 | 0 | 0 | 0 | 112 | A217 V218 T223 L224 E225 | A217-F221 WeakPolarHBondContact O-CD2 3.46Å; A217-F221 PolarHBondContact O-N 2.85Å; V218-F221 PolarHBondContact O-N 3.03Å; F221-T223 PolarHBondContact O-N 3.44Å; F221-L224 PolarHBondContact O-N 3.44Å; F221-E225 WeakPolarHBondContact O-CB 3.34Å; F221-E225 PolarHBondContact O-N 3.3Å |
| 222 | N | 97.8 | Very high | 96.8 | Very high | 86 Ų | 86 | 104.5 Ų | 104.5 | 46% | 0.46 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 178.5 | -71.8 | -19.5 | 0 | 0 | 0 | 112.5 | V218 S219 E225 K226 | V218-N222 WeakPolarHBondContact O-CB 3.34Å; V218-N222 PolarHBondContact O-N 3.44Å; V218-N222 PolarHBondContact O-ND2 3.43Å; S219-N222 PolarHBondContact O-N 2.83Å; N222-E225 PolarHBondContact O-N 3.03Å; N222-K226 WeakPolarHBondContact O-CG 3.38Å; N222-K226 PolarHBondContact O-N 2.88Å; N222-K226 VanDerWaalsContact O-N 3.09Å |
| 223 | T | 97.6 | Very high | 96.8 | Very high | 77 Ų | 77 | 104 Ų | 104 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 176.4 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | S219 W220 F221 K226 S227 | S219-T223 WeakPolarHBondContact O-CG2 3.45Å; S219-T223 PolarHBondContact O-N 2.7Å; S219-T223 PolarHBondContact O-OG1 3.08Å; W220-T223 WeakPolarHBondContact CA-OG1 3.42Å; W220-T223 PolarHBondContact O-OG1 2.9Å; F221-T223 PolarHBondContact O-N 3.44Å; T223-K226 PolarHBondContact O-N 3.4Å; T223-S227 PolarHBondContact O-N 3.27Å |
| 224 | L | 96.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 101 Ų | 101 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.2 | -178.2 | 63.8 | 0 | 0 | 0 | 111.9 | W220 F221 S227 R228 | W220-L224 VanDerWaalsContact O-CB 3.27Å; W220-L224 WeakPolarHBondContact O-CB 3.34Å; W220-L224 PolarHBondContact O-N 3.24Å; F221-L224 PolarHBondContact O-N 3.44Å; L224-S227 PolarHBondContact O-N 3.48Å; L224-S227 PolarHBondContact O-OG 2.91Å; L224-R228 WeakPolarHBondContact O-CG 3.42Å; L224-R228 PolarHBondContact O-N 2.87Å |
| 225 | E | 97.3 | Very high | 96.7 | Very high | 97 Ų | 97 | 101.2 Ų | 101.2 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.9 | -50.1 | 176.3 | -167.4 | 108.8 | -116.3 | 0 | 0 | 111.2 | F221 N222 S227 R228 E229 | F221-E225 WeakPolarHBondContact O-CB 3.34Å; F221-E225 PolarHBondContact O-N 3.3Å; N222-E225 PolarHBondContact O-N 3.03Å; E225-S227 VanDerWaalsContact C-N 3.31Å; E225-S227 PolarHBondContact O-N 3.41Å; E225-R228 WeakPolarHBondContact O-CA 3.4Å; E225-R228 WeakPolarHBondContact O-CB 3.45Å; E225-R228 PolarHBondContact O-N 3.18Å; E225-E229 PolarHBondContact O-N 3.22Å |
| 226 | K | 97.8 | Very high | 96.5 | Very high | 134 Ų | 134 | 98.3 Ų | 98.3 | 58% | 0.583 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.6 | -42.4 | 175.1 | -71.1 | 176 | -178.7 | -177.1 | 0 | 112.2 | N222 T223 R228 E229 L230 | N222-K226 WeakPolarHBondContact O-CG 3.38Å; N222-K226 PolarHBondContact O-N 2.88Å; N222-K226 VanDerWaalsContact O-N 3.09Å; T223-K226 PolarHBondContact O-N 3.4Å; K226-R228 VanDerWaalsContact C-N 3.28Å; K226-R228 PolarHBondContact O-N 3.47Å; K226-E229 PolarHBondContact O-N 2.84Å; K226-L230 WeakPolarHBondContact O-CG 3.49Å; K226-L230 PolarHBondContact O-N 2.84Å |
| 227 | S | 93.2 | Very high | 96.4 | Very high | 47 Ų | 47 | 98.5 Ų | 98.5 | 33% | 0.329 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -34.2 | 176.3 | 80.7 | 0 | 0 | 0 | 0 | 112.3 | T223 L224 E225 N231 | T223-S227 PolarHBondContact O-N 3.27Å; L224-S227 PolarHBondContact O-N 3.48Å; L224-S227 PolarHBondContact O-OG 2.91Å; E225-S227 VanDerWaalsContact C-N 3.31Å; E225-S227 PolarHBondContact O-N 3.41Å; S227-N231 WeakPolarHBondContact O-CB 3.48Å; S227-N231 PolarHBondContact O-N 3.23Å; S227-N231 PolarHBondContact O-ND2 3.36Å |
| 228 | R | 97.6 | Very high | 96.1 | Very high | 133 Ų | 133 | 100.9 Ų | 100.9 | 50% | 0.502 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.2 | -39.1 | 176.2 | -72.9 | 173.1 | 172.6 | 174.3 | -0.8 | 111.1 | L224 E225 K226 N231 R232 | L224-R228 WeakPolarHBondContact O-CG 3.42Å; L224-R228 PolarHBondContact O-N 2.87Å; E225-R228 WeakPolarHBondContact O-CA 3.4Å; E225-R228 WeakPolarHBondContact O-CB 3.45Å; E225-R228 PolarHBondContact O-N 3.18Å; K226-R228 VanDerWaalsContact C-N 3.28Å; K226-R228 PolarHBondContact O-N 3.47Å; R228-N231 PolarHBondContact O-N 2.92Å; R228-R232 VanDerWaalsContact C-NH1 3.31Å; R228-R232 WeakPolarHBondContact O-CG 3.33Å; R228-R232 PolarHBondContact O-N 2.82Å; R228-R232 VanDerWaalsContact O-N 3.08Å; R228-R232 PolarHBondContact O-NH1 3.37Å |
| 229 | E | 97.4 | Very high | 95.8 | Very high | 99 Ų | 99 | 100.8 Ų | 100.8 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -51.7 | 173.2 | -70 | 171.7 | 169.4 | 0 | 0 | 111.2 | E225 K226 N231 R232 D233 | E225-E229 PolarHBondContact O-N 3.22Å; K226-E229 PolarHBondContact O-N 2.84Å; E229-N231 VanDerWaalsContact C-N 3.28Å; E229-N231 PolarHBondContact O-N 3.34Å; E229-R232 WeakPolarHBondContact O-CA 3.48Å; E229-R232 WeakPolarHBondContact O-CB 3.37Å; E229-R232 PolarHBondContact O-N 2.91Å; E229-D233 PolarHBondContact O-N 2.87Å |
| 230 | L | 97 | Very high | 95.4 | Very high | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.9 | -39.8 | 176.8 | -68.5 | 173.4 | 0 | 0 | 0 | 112.7 | K226 R232 D233 L234 | K226-L230 WeakPolarHBondContact O-CG 3.49Å; K226-L230 PolarHBondContact O-N 2.84Å; L230-R232 VanDerWaalsContact C-N 3.33Å; L230-R232 PolarHBondContact O-N 3.2Å; L230-D233 PolarHBondContact O-N 3.29Å; L230-L234 WeakPolarHBondContact O-CB 3.4Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.36Å; L230-L234 PolarHBondContact O-N 3.44Å |
| 231 | N | 94.8 | Very high | 94.8 | Very high | 105 Ų | 105 | 98.5 Ų | 98.5 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.7 | -37.2 | 174.7 | -85.3 | -61.2 | 0 | 0 | 0 | 112.6 | S227 R228 E229 Q235 | S227-N231 WeakPolarHBondContact O-CB 3.48Å; S227-N231 PolarHBondContact O-N 3.23Å; S227-N231 PolarHBondContact O-ND2 3.36Å; R228-N231 PolarHBondContact O-N 2.92Å; E229-N231 VanDerWaalsContact C-N 3.28Å; E229-N231 PolarHBondContact O-N 3.34Å; N231-Q235 WeakPolarHBondContact O-CB 3.33Å; N231-Q235 PolarHBondContact O-N 2.96Å |
| 232 | R | 97.1 | Very high | 94.2 | Very high | 136 Ų | 136 | 96.4 Ų | 96.4 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 174.8 | -68.5 | 177.2 | -162.4 | 105 | -9.5 | 110.8 | R228 E229 L230 Q235 I236 | R228-R232 VanDerWaalsContact C-NH1 3.31Å; R228-R232 WeakPolarHBondContact O-CG 3.33Å; R228-R232 PolarHBondContact O-N 2.82Å; R228-R232 VanDerWaalsContact O-N 3.08Å; R228-R232 PolarHBondContact O-NH1 3.37Å; E229-R232 WeakPolarHBondContact O-CA 3.48Å; E229-R232 WeakPolarHBondContact O-CB 3.37Å; E229-R232 PolarHBondContact O-N 2.91Å; L230-R232 VanDerWaalsContact C-N 3.33Å; L230-R232 PolarHBondContact O-N 3.2Å; R232-Q235 WeakPolarHBondContact O-CB 3.42Å; R232-Q235 PolarHBondContact O-N 3.46Å; R232-I236 WeakPolarHBondContact O-CG1 3.4Å; R232-I236 PolarHBondContact O-N 3.29Å |
| 233 | D | 96.8 | Very high | 93.4 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 177.7 | -66.6 | -20.9 | 0 | 0 | 0 | 111.7 | E229 L230 Q235 I236 Q237 | E229-D233 PolarHBondContact O-N 2.87Å; L230-D233 PolarHBondContact O-N 3.29Å; D233-Q235 VanDerWaalsContact C-N 3.32Å; D233-Q235 PolarHBondContact O-N 2.91Å; D233-I236 WeakPolarHBondContact O-CB 3.29Å; D233-I236 PolarHBondContact O-N 3.3Å; D233-Q237 WeakPolarHBondContact O-CG 3.38Å; D233-Q237 PolarHBondContact O-N 3.37Å |
| 234 | L | 95.8 | Very high | 92.3 | Very high | 100 Ų | 100 | 101.8 Ų | 101.8 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 174.6 | -72 | 173.8 | 0 | 0 | 0 | 112.1 | L230 I236 Q237 L238 | L230-L234 WeakPolarHBondContact O-CB 3.4Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.36Å; L230-L234 PolarHBondContact O-N 3.44Å; L234-I236 VanDerWaalsContact C-N 3.35Å; L234-Q237 PolarHBondContact O-N 3.43Å; L234-L238 WeakPolarHBondContact O-CB 3.49Å; L234-L238 PolarHBondContact O-N 3.28Å |
| 235 | Q | 95.9 | Very high | 90.9 | Very high | 97 Ų | 97 | 102.2 Ų | 102.2 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 174.3 | -173.1 | 64.6 | 47.3 | 0 | 0 | 111.2 | N231 R232 D233 Q237 L238 D239 | N231-Q235 WeakPolarHBondContact O-CB 3.33Å; N231-Q235 PolarHBondContact O-N 2.96Å; R232-Q235 WeakPolarHBondContact O-CB 3.42Å; R232-Q235 PolarHBondContact O-N 3.46Å; D233-Q235 VanDerWaalsContact C-N 3.32Å; D233-Q235 PolarHBondContact O-N 2.91Å; Q235-Q237 PolarHBondContact O-N 3.49Å; Q235-L238 PolarHBondContact O-N 2.94Å; Q235-D239 PolarHBondContact NE2-OD1 3.35Å; Q235-D239 VanDerWaalsContact NE2-OD1 3.15Å; Q235-D239 PolarHBondContact O-N 3.2Å |
| 236 | I | 93.8 | Very high | 89.4 | Confident | 87 Ų | 87 | 105.2 Ų | 105.2 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 175.9 | -67.7 | 163.7 | 0 | 0 | 0 | 110.7 | R232 D233 L234 L238 D239 Q240 | R232-I236 WeakPolarHBondContact O-CG1 3.4Å; R232-I236 PolarHBondContact O-N 3.29Å; D233-I236 WeakPolarHBondContact O-CB 3.29Å; D233-I236 PolarHBondContact O-N 3.3Å; L234-I236 VanDerWaalsContact C-N 3.35Å; I236-L238 VanDerWaalsContact C-N 3.34Å; I236-L238 PolarHBondContact O-N 2.82Å; I236-D239 PolarHBondContact O-N 3.39Å; I236-Q240 VanDerWaalsContact O-CG 3.31Å; I236-Q240 WeakPolarHBondContact O-CG 3.28Å; I236-Q240 PolarHBondContact O-N 2.89Å |
| 237 | Q | 94.4 | Very high | 87.5 | Confident | 111 Ų | 111 | 104.4 Ų | 104.4 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 176.3 | -70.5 | 175.7 | 24.6 | 0 | 0 | 111.9 | D233 L234 Q235 Q240 V241 | D233-Q237 WeakPolarHBondContact O-CG 3.38Å; D233-Q237 PolarHBondContact O-N 3.37Å; L234-Q237 PolarHBondContact O-N 3.43Å; Q235-Q237 PolarHBondContact O-N 3.49Å; Q237-Q240 PolarHBondContact O-N 3.07Å; Q237-V241 WeakPolarHBondContact O-CG2 3.44Å; Q237-V241 PolarHBondContact O-N 3.13Å |
| 238 | L | 89.4 | Confident | 85.9 | Confident | 89 Ų | 89 | 107.7 Ų | 107.7 | 47% | 0.466 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.6 | 179.9 | 63 | 0 | 0 | 0 | 111.3 | L234 Q235 I236 Q240 V241 L242 | L234-L238 WeakPolarHBondContact O-CB 3.49Å; L234-L238 PolarHBondContact O-N 3.28Å; Q235-L238 PolarHBondContact O-N 2.94Å; I236-L238 VanDerWaalsContact C-N 3.34Å; I236-L238 PolarHBondContact O-N 2.82Å; L238-Q240 VanDerWaalsContact C-N 3.31Å; L238-Q240 PolarHBondContact O-N 3.49Å; L238-V241 PolarHBondContact O-N 2.9Å; L238-L242 HydrophobicContact CD1-CD1 4.39Å; L238-L242 HydrophobicContact CD1-CG 4.36Å; L238-L242 HydrophobicContact CG-CD1 4.09Å; L238-L242 HydrophobicContact CG-CG 4.48Å; L238-L242 WeakPolarHBondContact O-CB 3.35Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.39Å; L238-L242 PolarHBondContact O-N 2.91Å |
| 239 | D | 91.5 | Very high | 83.9 | Confident | 82 Ų | 82 | 108.9 Ų | 108.9 | 44% | 0.439 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.5 | -38.3 | 178.9 | -67.2 | -15.8 | 0 | 0 | 0 | 111.3 | Q235 I236 L242 Q243 | Q235-D239 PolarHBondContact NE2-OD1 3.35Å; Q235-D239 VanDerWaalsContact NE2-OD1 3.15Å; Q235-D239 PolarHBondContact O-N 3.2Å; I236-D239 PolarHBondContact O-N 3.39Å; D239-L242 PolarHBondContact O-N 2.9Å; D239-Q243 WeakPolarHBondContact O-CB 3.39Å; D239-Q243 PolarHBondContact O-N 2.92Å |
| 240 | Q | 88.9 | Confident | 81.5 | Confident | 102 Ų | 102 | 109.7 Ų | 109.7 | 48% | 0.477 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.5 | -45.3 | 174.4 | -72.1 | 170.8 | 12.1 | 0 | 0 | 112.5 | I236 Q237 L238 Q243 Q244 | I236-Q240 VanDerWaalsContact O-CG 3.31Å; I236-Q240 WeakPolarHBondContact O-CG 3.28Å; I236-Q240 PolarHBondContact O-N 2.89Å; Q237-Q240 PolarHBondContact O-N 3.07Å; L238-Q240 VanDerWaalsContact C-N 3.31Å; L238-Q240 PolarHBondContact O-N 3.49Å; Q240-Q243 PolarHBondContact O-N 3.26Å; Q240-Q244 WeakPolarHBondContact O-CG 3.45Å; Q240-Q244 PolarHBondContact O-N 3.46Å |
| 241 | V | 83.4 | Confident | 79.5 | Confident | 85 Ų | 85 | 116.4 Ų | 116.4 | 52% | 0.515 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.7 | -40.6 | 178 | 172.1 | 0 | 0 | 0 | 0 | 111 | Q237 L238 Q243 Q244 A245 | Q237-V241 WeakPolarHBondContact O-CG2 3.44Å; Q237-V241 PolarHBondContact O-N 3.13Å; L238-V241 PolarHBondContact O-N 2.9Å; V241-Q243 VanDerWaalsContact C-N 3.28Å; V241-Q243 PolarHBondContact O-N 2.78Å; V241-Q244 PolarHBondContact O-N 3.07Å; V241-A245 WeakPolarHBondContact O-CB 3.34Å; V241-A245 PolarHBondContact O-N 2.96Å |
| 242 | L | 85.2 | Confident | 77.5 | Confident | 94 Ų | 94 | 114.8 Ų | 114.8 | 49% | 0.492 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.6 | -37.2 | 175.4 | -73.3 | 174.3 | 0 | 0 | 0 | 111.9 | L238 D239 A245 Q246 | L238-L242 HydrophobicContact CD1-CD1 4.39Å; L238-L242 HydrophobicContact CD1-CG 4.36Å; L238-L242 HydrophobicContact CG-CD1 4.09Å; L238-L242 HydrophobicContact CG-CG 4.48Å; L238-L242 WeakPolarHBondContact O-CB 3.35Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.39Å; L238-L242 PolarHBondContact O-N 2.91Å; D239-L242 PolarHBondContact O-N 2.9Å; L242-A245 PolarHBondContact O-N 2.74Å; L242-Q246 PolarHBondContact O-N 2.64Å |
| 243 | Q | 80.4 | Confident | 75.1 | Confident | 143 Ų | 143 | 116.1 Ų | 116.1 | 67% | 0.668 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.6 | -40.4 | 175.9 | -164.6 | 170.6 | 9.1 | 0 | 0 | 112 | D239 Q240 V241 Q246 | D239-Q243 WeakPolarHBondContact O-CB 3.39Å; D239-Q243 PolarHBondContact O-N 2.92Å; Q240-Q243 PolarHBondContact O-N 3.26Å; V241-Q243 VanDerWaalsContact C-N 3.28Å; V241-Q243 PolarHBondContact O-N 2.78Å; Q243-Q246 PolarHBondContact O-N 3.12Å |
| 244 | Q | 73.9 | Confident | 73.3 | Confident | 133 Ų | 133 | 115.8 Ų | 115.8 | 62% | 0.621 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.9 | -35.8 | 174 | -71.4 | 173.9 | 6.5 | 0 | 0 | 112.7 | Q240 V241 Q246 D247 | Q240-Q244 WeakPolarHBondContact O-CG 3.45Å; Q240-Q244 PolarHBondContact O-N 3.46Å; V241-Q244 PolarHBondContact O-N 3.07Å; Q244-Q246 PolarHBondContact O-N 2.88Å; Q244-D247 PolarHBondContact O-N 3.49Å |
| 245 | A | 66.9 | Low | 71.5 | Confident | 81 Ų | 81 | 116.4 Ų | 116.4 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.4 | -17.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V241 L242 | V241-A245 WeakPolarHBondContact O-CB 3.34Å; V241-A245 PolarHBondContact O-N 2.96Å; L242-A245 PolarHBondContact O-N 2.74Å |
| 246 | Q | 67.5 | Low | 69.7 | Low | 160 Ų | 160 | 119.2 Ų | 119.2 | 75% | 0.748 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -3 | 174.5 | -79.2 | -178.4 | 1.7 | 0 | 0 | 113.5 | L242 Q243 Q244 P248 | L242-Q246 PolarHBondContact O-N 2.64Å; Q243-Q246 PolarHBondContact O-N 3.12Å; Q244-Q246 PolarHBondContact O-N 2.88Å; Q246-P248 VanDerWaalsContact O-CD 3.24Å; Q246-P248 WeakPolarHBondContact O-CD 3.43Å |
| 247 | D | 57.2 | Low | 68.3 | Low | 116 Ų | 116 | 117.9 Ų | 117.9 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | trans | -67.1 | 116 | 179.2 | -97.8 | -30.3 | 0 | 0 | 0 | 111.6 | Q244 N249 | Q244-D247 PolarHBondContact O-N 3.49Å; D247-N249 PolarHBondContact O-N 2.92Å; D247-N249 VanDerWaalsContact O-N 3.09Å | ||
| 248 | P | 58.7 | Low | 67.1 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 76% | 0.76 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 5.1 | -169.6 | 28.9 | -33.5 | 0 | 0 | 0 | 115.2 | Q246 | Q246-P248 VanDerWaalsContact O-CD 3.24Å; Q246-P248 WeakPolarHBondContact O-CD 3.43Å |
| 249 | N | 55.7 | Low | 66.6 | Low | 158 Ų | 158 | 118.3 Ų | 118.3 | 85% | 0.845 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 4 | -174.8 | -87.4 | -9 | 0 | 0 | 0 | 115.5 | D247 R251 | D247-N249 PolarHBondContact O-N 2.92Å; D247-N249 VanDerWaalsContact O-N 3.09Å; N249-R251 PolarHBondContact O-N 3.37Å |
| 250 | S | 48.2 | Very low | 66 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 81% | 0.811 | 65% | 0.647 | S | S | * | * | trans | -89.7 | 84.5 | 175.1 | 166.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 251 | R | 54.6 | Low | 65.5 | Low | 250 Ų | 250 | 120.2 Ų | 120.2 | 94% | 0.943 | 66% | 0.655 | S | S | * | * | trans | -98.5 | 125.4 | -176.8 | -134.4 | -176.6 | -167.9 | -178.6 | 3.9 | 111.5 | N249 | N249-R251 PolarHBondContact O-N 3.37Š| ||
| 252 | G | 52.7 | Low | 65.4 | Low | 70 Ų | 70 | 122.2 Ų | 122.2 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 143.7 | 118.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 253 | N | 47 | Very low | 65.6 | Low | 164 Ų | 164 | 123.3 Ų | 123.3 | 88% | 0.877 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 68.4 | 105.3 | -178.3 | -68.1 | -8.2 | 0 | 0 | 0 | 114.9 | L255 | N253-L255 VanDerWaalsContact C-N 3.34Å; N253-L255 PolarHBondContact O-N 2.89Å |
| 254 | S | 58.8 | Low | 65.7 | Low | 77 Ų | 77 | 118.3 Ų | 118.3 | 54% | 0.538 | 64% | 0.637 | S | S | . | * | trans | -72.1 | 89.1 | -166 | -159.1 | 0 | 0 | 0 | 0 | 111.7 | F256 A257 | S254-F256 PolarHBondContact O-N 3.13Å; S254-F256 WeakPolarHBondContact OG-CB 3.24Å; S254-A257 PolarHBondContact O-N 3.3Å | ||
| 255 | L | 57 | Low | 66.4 | Low | 112 Ų | 112 | 113.4 Ų | 113.4 | 59% | 0.586 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -37.2 | -33.9 | 158.1 | -116 | 151.9 | 0 | 0 | 0 | 111.4 | N253 A257 E258 L259 | N253-L255 VanDerWaalsContact C-N 3.34Å; N253-L255 PolarHBondContact O-N 2.89Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 3.37Å; L255-E258 PolarHBondContact O-N 3.3Å; L255-L259 HydrophobicContact CB-CD1 4.28Å; L255-L259 HydrophobicContact CD2-CD1 3.93Å; L255-L259 HydrophobicContact CD2-CD2 4.4Å; L255-L259 HydrophobicContact CD2-CG 3.95Å; L255-L259 WeakPolarHBondContact O-CA 3.42Å; L255-L259 WeakPolarHBondContact O-CB 3.34Å; L255-L259 WeakPolarHBondContact O-CD1 3.49Å; L255-L259 WeakPolarHBondContact O-CG 3.36Å; L255-L259 PolarHBondContact O-N 2.78Å |
| 256 | F | 58.3 | Low | 67.4 | Low | 156 Ų | 156 | 110.9 Ų | 110.9 | 68% | 0.684 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.7 | -33.2 | 178.1 | -62.2 | -79.8 | 0 | 0 | 0 | 114.5 | S254 E260 | S254-F256 PolarHBondContact O-N 3.13Å; S254-F256 WeakPolarHBondContact OG-CB 3.24Å; F256-E260 VanDerWaalsContact O-CB 3.28Å; F256-E260 WeakPolarHBondContact O-CB 3.31Å; F256-E260 PolarHBondContact O-N 3.04Å |
| 257 | A | 65.1 | Low | 68.5 | Low | 59 Ų | 59 | 107 Ų | 107 | 49% | 0.488 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.8 | -46 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | S254 L255 L259 E260 D261 | S254-A257 PolarHBondContact O-N 3.3Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 3.37Å; A257-L259 VanDerWaalsContact C-N 3.32Å; A257-L259 PolarHBondContact O-N 2.91Å; A257-E260 PolarHBondContact O-N 3.47Å; A257-D261 PolarHBondContact O-N 3.42Å |
| 258 | E | 69.5 | Low | 70.1 | Confident | 124 Ų | 124 | 109.8 Ų | 109.8 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.2 | -34.4 | 173.6 | -69.3 | -177.5 | -168 | 0 | 0 | 112.4 | L255 E260 K262 | L255-E258 PolarHBondContact O-N 3.3Å; E258-E260 VanDerWaalsContact C-N 3.34Å; E258-K262 VanDerWaalsContact O-CB 3.24Å; E258-K262 WeakPolarHBondContact O-CB 3.48Å; E258-K262 WeakPolarHBondContact O-CG 3.38Å; E258-K262 PolarHBondContact O-N 2.92Å |
| 259 | L | 78.7 | Confident | 71.7 | Confident | 86 Ų | 86 | 107.3 Ų | 107.3 | 45% | 0.45 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.8 | -35 | 174.1 | -76.2 | 169.9 | 0 | 0 | 0 | 111.2 | L255 A257 R263 | L255-L259 HydrophobicContact CB-CD1 4.28Å; L255-L259 HydrophobicContact CD2-CD1 3.93Å; L255-L259 HydrophobicContact CD2-CD2 4.4Å; L255-L259 HydrophobicContact CD2-CG 3.95Å; L255-L259 WeakPolarHBondContact O-CA 3.42Å; L255-L259 WeakPolarHBondContact O-CB 3.34Å; L255-L259 WeakPolarHBondContact O-CD1 3.49Å; L255-L259 WeakPolarHBondContact O-CG 3.36Å; L255-L259 PolarHBondContact O-N 2.78Å; A257-L259 VanDerWaalsContact C-N 3.32Å; A257-L259 PolarHBondContact O-N 2.91Å; L259-R263 WeakPolarHBondContact O-CB 3.41Å; L259-R263 PolarHBondContact O-N 3.03Å |
| 260 | E | 79.2 | Confident | 73.5 | Confident | 103 Ų | 103 | 101.2 Ų | 101.2 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.9 | -40.1 | 176.9 | -163.8 | 63.8 | -150 | 0 | 0 | 111.2 | F256 A257 E258 R263 A264 | F256-E260 VanDerWaalsContact O-CB 3.28Å; F256-E260 WeakPolarHBondContact O-CB 3.31Å; F256-E260 PolarHBondContact O-N 3.04Å; A257-E260 PolarHBondContact O-N 3.47Å; E258-E260 VanDerWaalsContact C-N 3.34Å; E260-R263 WeakPolarHBondContact O-CB 3.28Å; E260-R263 PolarHBondContact O-N 3.19Å; E260-R263 IonicContact OE1-NH1 2.64Å; E260-R263 IonicContact OE2-NH1 3.46Å; E260-A264 WeakPolarHBondContact O-CB 3.42Å; E260-A264 PolarHBondContact O-N 3.37Å |
| 261 | D | 78.8 | Confident | 75.6 | Confident | 121 Ų | 121 | 100.8 Ų | 100.8 | 65% | 0.647 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.5 | -42.5 | 172.6 | -78 | -21.7 | 0 | 0 | 0 | 111.8 | A257 A264 A265 | A257-D261 PolarHBondContact O-N 3.42Å; D261-A264 PolarHBondContact O-N 3.4Å; D261-A265 PolarHBondContact O-N 3.48Å |
| 262 | K | 80.6 | Confident | 77.4 | Confident | 126 Ų | 126 | 91.8 Ų | 91.8 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59 | -51.6 | 171 | -78.1 | 175.9 | -179.6 | 175.7 | 0 | 109.4 | E258 A264 A265 M266 | E258-K262 VanDerWaalsContact O-CB 3.24Å; E258-K262 WeakPolarHBondContact O-CB 3.48Å; E258-K262 WeakPolarHBondContact O-CG 3.38Å; E258-K262 PolarHBondContact O-N 2.92Å; K262-A264 VanDerWaalsContact C-N 3.32Å; K262-A264 PolarHBondContact O-N 3.25Å; K262-A265 WeakPolarHBondContact O-CB 3.23Å; K262-A265 PolarHBondContact O-N 3.44Å; K262-M266 WeakPolarHBondContact O-CB 3.42Å; K262-M266 WeakPolarHBondContact O-CG 3.34Å; K262-M266 PolarHBondContact O-N 2.89Å |
| 263 | R | 88.9 | Confident | 79.3 | Confident | 118 Ų | 118 | 94.2 Ų | 94.2 | 45% | 0.445 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -53.1 | -45.7 | 177.3 | -179.6 | -171.5 | 175.8 | -178.7 | 4.7 | 112.3 | L259 E260 A265 M266 E267 | L259-R263 WeakPolarHBondContact O-CB 3.41Å; L259-R263 PolarHBondContact O-N 3.03Å; E260-R263 WeakPolarHBondContact O-CB 3.28Å; E260-R263 PolarHBondContact O-N 3.19Å; E260-R263 IonicContact OE1-NH1 2.64Å; E260-R263 IonicContact OE2-NH1 3.46Å; R263-A265 PolarHBondContact O-N 3.09Å; R263-M266 WeakPolarHBondContact O-CB 3.37Å; R263-M266 PolarHBondContact O-N 3.19Å; R263-E267 HydrophobicContact CG-CG 4.39Å; R263-E267 WeakPolarHBondContact CG-OE1 3.47Å; R263-E267 IonicContact CZ-OE1 2.78Å; R263-E267 IonicContact NE-OE1 2.82Å; R263-E267 PolarHBondContact NE-OE1 3.01Å; R263-E267 IonicContact NH2-OE1 2.74Å; R263-E267 WeakPolarHBondContact O-CB 3.44Å; R263-E267 WeakPolarHBondContact O-CG 3.47Å; R263-E267 PolarHBondContact O-N 3.16Å |
| 264 | A | 83.6 | Confident | 81.5 | Confident | 37 Ų | 37 | 91.3 Ų | 91.3 | 31% | 0.306 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.1 | -33 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E260 D261 K262 R268 | E260-A264 WeakPolarHBondContact O-CB 3.42Å; E260-A264 PolarHBondContact O-N 3.37Å; D261-A264 PolarHBondContact O-N 3.4Å; K262-A264 VanDerWaalsContact C-N 3.32Å; K262-A264 PolarHBondContact O-N 3.25Å; A264-R268 WeakPolarHBondContact O-CG 3.4Å; A264-R268 PolarHBondContact O-N 3.01Å; A264-R268 PolarHBondContact O-NE 3.37Å; A264-R268 VanDerWaalsContact O-NE 3.16Å |
| 265 | A | 86.7 | Confident | 83.3 | Confident | 31 Ų | 31 | 91.9 Ų | 91.9 | 26% | 0.256 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | D261 K262 R263 R268 Q269 | D261-A265 PolarHBondContact O-N 3.48Å; K262-A265 WeakPolarHBondContact O-CB 3.23Å; K262-A265 PolarHBondContact O-N 3.44Å; R263-A265 PolarHBondContact O-N 3.09Å; A265-R268 PolarHBondContact O-N 2.74Å; A265-Q269 PolarHBondContact O-N 3.33Å; A265-Q269 VanDerWaalsContact O-N 3.08Å |
| 266 | M | 88.8 | Confident | 84.9 | Confident | 27 Ų | 27 | 91.9 Ų | 91.9 | 13% | 0.133 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.3 | -54.7 | 176.7 | -49.1 | -115.8 | -39.7 | 0 | 0 | 108.8 | K262 R263 R268 Q269 L270 K460 P461 E462 | K262-M266 WeakPolarHBondContact O-CB 3.42Å; K262-M266 WeakPolarHBondContact O-CG 3.34Å; K262-M266 PolarHBondContact O-N 2.89Å; R263-M266 WeakPolarHBondContact O-CB 3.37Å; R263-M266 PolarHBondContact O-N 3.19Å; M266-R268 PolarHBondContact O-N 2.93Å; M266-R268 VanDerWaalsContact O-N 3.13Å; M266-Q269 CarbonylContact O-C 3.54Å; M266-Q269 WeakPolarHBondContact O-CA 3.43Å; M266-Q269 WeakPolarHBondContact O-CB 3.33Å; M266-Q269 PolarHBondContact O-N 2.96Å; M266-L270 PolarHBondContact O-N 3.2Å; M266-K460 VanDerWaalsContact CE-CA 3.47Å; M266-K460 HydrophobicContact CE-CB 3.52Å; M266-K460 HydrophobicContact CE-CD 4.34Å; M266-K460 HydrophobicContact CE-CG 3.62Å; M266-P461 WeakPolarHBondContact CA-O 3.41Å; M266-P461 HydrophobicContact CB-CG 4.09Å; M266-P461 WeakPolarHBondContact CB-O 3.41Å; M266-P461 VanDerWaalsContact CE-O 3.23Å; M266-P461 WeakPolarHBondContact CE-O 3.45Å; M266-P461 WeakPolarHBondContact CG-O 3.24Å; M266-P461 WeakPolarHBondContact O-CD 3.36Å; M266-P461 WeakPolarHBondContact O-CG 3.26Å; M266-E462 HydrophobicContact CE-CB 4.41Å; M266-E462 HydrophobicContact CE-CG 3.76Å; M266-E462 WeakPolarHBondContact SD-CA 3.42Å; M266-E462 HydrophobicContact SD-CB 4.21Å; M266-E462 HydrophobicContact SD-CG 3.85Å; M266-E462 PolarHBondContact SD-N 3.03Å |
| 267 | E | 91.1 | Very high | 86.6 | Confident | 78 Ų | 78 | 89.7 Ų | 89.7 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -55.4 | -38 | -179.1 | -75 | 176.6 | -174.2 | 0 | 0 | 112.7 | R263 L270 I271 | R263-E267 HydrophobicContact CG-CG 4.39Å; R263-E267 WeakPolarHBondContact CG-OE1 3.47Å; R263-E267 IonicContact CZ-OE1 2.78Å; R263-E267 IonicContact NE-OE1 2.82Å; R263-E267 PolarHBondContact NE-OE1 3.01Å; R263-E267 IonicContact NH2-OE1 2.74Å; R263-E267 WeakPolarHBondContact O-CB 3.44Å; R263-E267 WeakPolarHBondContact O-CG 3.47Å; R263-E267 PolarHBondContact O-N 3.16Å; E267-L270 WeakPolarHBondContact O-CB 3.5Å; E267-L270 PolarHBondContact O-N 3.45Å; E267-I271 WeakPolarHBondContact O-CD1 3.41Å; E267-I271 VanDerWaalsContact O-CG1 3.24Å; E267-I271 WeakPolarHBondContact O-CG1 3.39Å; E267-I271 PolarHBondContact O-N 3.37Å |
| 268 | R | 90.6 | Very high | 88 | Confident | 175 Ų | 175 | 91.8 Ų | 91.8 | 66% | 0.66 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 173.3 | -77.1 | -176.9 | -77.5 | -172.3 | -2.1 | 112.6 | A264 A265 M266 L270 I271 S272 | A264-R268 WeakPolarHBondContact O-CG 3.4Å; A264-R268 PolarHBondContact O-N 3.01Å; A264-R268 PolarHBondContact O-NE 3.37Å; A264-R268 VanDerWaalsContact O-NE 3.16Å; A265-R268 PolarHBondContact O-N 2.74Å; M266-R268 PolarHBondContact O-N 2.93Å; M266-R268 VanDerWaalsContact O-N 3.13Å; R268-L270 VanDerWaalsContact C-N 3.31Å; R268-L270 PolarHBondContact O-N 2.85Å; R268-I271 PolarHBondContact O-N 3.47Å; R268-S272 PolarHBondContact O-N 3.43Å |
| 269 | Q | 91.3 | Very high | 89 | Confident | 65 Ų | 65 | 89 Ų | 89 | 30% | 0.304 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 173.5 | -78.4 | -175.7 | -19.3 | 0 | 0 | 111.9 | A265 M266 I271 S272 M273 P461 | A265-Q269 PolarHBondContact O-N 3.33Å; A265-Q269 VanDerWaalsContact O-N 3.08Å; M266-Q269 CarbonylContact O-C 3.54Å; M266-Q269 WeakPolarHBondContact O-CA 3.43Å; M266-Q269 WeakPolarHBondContact O-CB 3.33Å; M266-Q269 PolarHBondContact O-N 2.96Å; Q269-I271 VanDerWaalsContact C-N 3.34Å; Q269-I271 PolarHBondContact O-N 2.84Å; Q269-S272 WeakPolarHBondContact O-CB 3.33Å; Q269-S272 PolarHBondContact O-N 2.66Å; Q269-M273 WeakPolarHBondContact O-CG 3.47Å; Q269-M273 PolarHBondContact O-N 3.13Å; Q269-P461 HydrophobicContact CB-CB 4.3Å; Q269-P461 HydrophobicContact CB-CG 3.43Å; Q269-P461 VanDerWaalsContact CB-CG 3.43Å; Q269-P461 PolarHBondContact OE1-O 3.29Å |
| 270 | L | 93.5 | Very high | 89.7 | Confident | 30 Ų | 30 | 90.7 Ų | 90.7 | 16% | 0.157 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 179.4 | -167.6 | 60.6 | 0 | 0 | 0 | 110.6 | M266 E267 R268 S272 M273 K274 V459 P461 | M266-L270 PolarHBondContact O-N 3.2Å; E267-L270 WeakPolarHBondContact O-CB 3.5Å; E267-L270 PolarHBondContact O-N 3.45Å; R268-L270 VanDerWaalsContact C-N 3.31Å; R268-L270 PolarHBondContact O-N 2.85Å; L270-S272 VanDerWaalsContact C-N 3.35Å; L270-M273 PolarHBondContact O-N 3.18Å; L270-K274 HydrophobicContact CG-CD 4.12Å; L270-K274 VanDerWaalsContact O-CB 3.28Å; L270-K274 WeakPolarHBondContact O-CB 3.47Å; L270-K274 VanDerWaalsContact O-CG 3.25Å; L270-K274 WeakPolarHBondContact O-CG 3.46Å; L270-K274 PolarHBondContact O-N 3.42Å; L270-V459 HydrophobicContact CD2-CB 4.27Å; L270-V459 WeakPolarHBondContact CD2-O 3.24Å; L270-P461 HydrophobicContact CB-CG 4.01Å |
| 271 | I | 92.1 | Very high | 90.3 | Very high | 107 Ų | 107 | 90.8 Ų | 90.8 | 55% | 0.549 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 177.8 | -68.6 | 164.3 | 0 | 0 | 0 | 109.5 | E267 R268 Q269 K274 V275 | E267-I271 WeakPolarHBondContact O-CD1 3.41Å; E267-I271 VanDerWaalsContact O-CG1 3.24Å; E267-I271 WeakPolarHBondContact O-CG1 3.39Å; E267-I271 PolarHBondContact O-N 3.37Å; R268-I271 PolarHBondContact O-N 3.47Å; Q269-I271 VanDerWaalsContact C-N 3.34Å; Q269-I271 PolarHBondContact O-N 2.84Å; I271-K274 PolarHBondContact O-N 3.42Å; I271-V275 VanDerWaalsContact O-CG2 3.32Å; I271-V275 WeakPolarHBondContact O-CG2 3.45Å; I271-V275 PolarHBondContact O-N 3.23Å |
| 272 | S | 93.1 | Very high | 90.9 | Very high | 61 Ų | 61 | 92.2 Ų | 92.2 | 43% | 0.427 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.4 | -51.3 | 175.4 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | R268 Q269 L270 K274 V275 Q276 | R268-S272 PolarHBondContact O-N 3.43Å; Q269-S272 WeakPolarHBondContact O-CB 3.33Å; Q269-S272 PolarHBondContact O-N 2.66Å; L270-S272 VanDerWaalsContact C-N 3.35Å; S272-K274 PolarHBondContact O-N 2.91Å; S272-V275 PolarHBondContact O-N 2.95Å; S272-Q276 WeakPolarHBondContact O-CG 3.11Å; S272-Q276 PolarHBondContact O-N 2.9Å |
| 273 | M | 92.5 | Very high | 91.4 | Very high | 121 Ų | 121 | 92.2 Ų | 92.2 | 60% | 0.596 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.2 | -37.3 | 177.4 | -71.8 | -160.7 | 89.5 | 0 | 0 | 112.7 | Q269 L270 Q276 H277 | Q269-M273 WeakPolarHBondContact O-CG 3.47Å; Q269-M273 PolarHBondContact O-N 3.13Å; L270-M273 PolarHBondContact O-N 3.18Å; M273-Q276 PolarHBondContact O-N 3.29Å; M273-H277 VanDerWaalsContact O-CB 3.25Å; M273-H277 WeakPolarHBondContact O-CB 3.47Å; M273-H277 PolarHBondContact O-N 3.48Å |
| 274 | K | 94.3 | Very high | 91.4 | Very high | 103 Ų | 103 | 92.4 Ų | 92.4 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 174.6 | -81 | 173.4 | 178.9 | 169.2 | 0 | 111.6 | L270 I271 S272 Q278 | L270-K274 HydrophobicContact CG-CD 4.12Å; L270-K274 VanDerWaalsContact O-CB 3.28Å; L270-K274 WeakPolarHBondContact O-CB 3.47Å; L270-K274 VanDerWaalsContact O-CG 3.25Å; L270-K274 WeakPolarHBondContact O-CG 3.46Å; L270-K274 PolarHBondContact O-N 3.42Å; I271-K274 PolarHBondContact O-N 3.42Å; S272-K274 PolarHBondContact O-N 2.91Å; K274-Q278 WeakPolarHBondContact O-CB 3.44Å; K274-Q278 VanDerWaalsContact O-CG 3.23Å; K274-Q278 WeakPolarHBondContact O-CG 3.42Å; K274-Q278 PolarHBondContact O-N 3.35Å |
| 275 | V | 95.1 | Very high | 91.6 | Very high | 89 Ų | 89 | 93.3 Ų | 93.3 | 54% | 0.539 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.4 | I271 S272 Q278 S279 | I271-V275 VanDerWaalsContact O-CG2 3.32Å; I271-V275 WeakPolarHBondContact O-CG2 3.45Å; I271-V275 PolarHBondContact O-N 3.23Å; S272-V275 PolarHBondContact O-N 2.95Å; V275-Q278 PolarHBondContact O-N 2.94Å; V275-S279 WeakPolarHBondContact O-CB 3.46Å; V275-S279 PolarHBondContact O-N 2.91Å |
| 276 | Q | 92.4 | Very high | 91.8 | Very high | 113 Ų | 113 | 96.7 Ų | 96.7 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 174.7 | -73.5 | 178.1 | -9.7 | 0 | 0 | 111.1 | S272 M273 Q278 S279 L280 | S272-Q276 WeakPolarHBondContact O-CG 3.11Å; S272-Q276 PolarHBondContact O-N 2.9Å; M273-Q276 PolarHBondContact O-N 3.29Å; Q276-Q278 PolarHBondContact O-N 3.46Å; Q276-S279 PolarHBondContact O-N 2.94Å; Q276-S279 VanDerWaalsContact O-N 3.13Å; Q276-S279 PolarHBondContact O-OG 3.38Å; Q276-L280 WeakPolarHBondContact O-CB 3.26Å; Q276-L280 PolarHBondContact O-N 3.19Å |
| 277 | H | 93.2 | Very high | 91.9 | Very high | 110 Ų | 110 | 98.5 Ų | 98.5 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.6 | -179.1 | 78.7 | 0 | 0 | 0 | 111.9 | M273 S279 L280 Q281 | M273-H277 VanDerWaalsContact O-CB 3.25Å; M273-H277 WeakPolarHBondContact O-CB 3.47Å; M273-H277 PolarHBondContact O-N 3.48Å; H277-S279 VanDerWaalsContact C-N 3.33Å; H277-S279 PolarHBondContact O-N 2.95Å; H277-L280 PolarHBondContact O-N 3.31Å; H277-Q281 VanDerWaalsContact O-CB 3.24Å; H277-Q281 WeakPolarHBondContact O-CB 3.07Å; H277-Q281 PolarHBondContact O-N 3.44Å |
| 278 | Q | 93.5 | Very high | 91.6 | Very high | 103 Ų | 103 | 97.3 Ų | 97.3 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 175.4 | -75.2 | 176.5 | 15.5 | 0 | 0 | 112.4 | K274 V275 Q276 K282 | K274-Q278 WeakPolarHBondContact O-CB 3.44Å; K274-Q278 VanDerWaalsContact O-CG 3.23Å; K274-Q278 WeakPolarHBondContact O-CG 3.42Å; K274-Q278 PolarHBondContact O-N 3.35Å; V275-Q278 PolarHBondContact O-N 2.94Å; Q276-Q278 PolarHBondContact O-N 3.46Å; Q278-K282 WeakPolarHBondContact O-CB 3.32Å; Q278-K282 VanDerWaalsContact O-CG 3.3Å; Q278-K282 WeakPolarHBondContact O-CG 3.18Å; Q278-K282 PolarHBondContact O-N 3.02Å |
| 279 | S | 91.5 | Very high | 91.6 | Very high | 64 Ų | 64 | 93.8 Ų | 93.8 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 175.4 | 78.3 | 0 | 0 | 0 | 0 | 111.2 | V275 Q276 H277 Q281 K282 M283 | V275-S279 WeakPolarHBondContact O-CB 3.46Å; V275-S279 PolarHBondContact O-N 2.91Å; Q276-S279 PolarHBondContact O-N 2.94Å; Q276-S279 VanDerWaalsContact O-N 3.13Å; Q276-S279 PolarHBondContact O-OG 3.38Å; H277-S279 VanDerWaalsContact C-N 3.33Å; H277-S279 PolarHBondContact O-N 2.95Å; S279-Q281 PolarHBondContact O-N 3.06Å; S279-K282 PolarHBondContact O-N 3.36Å; S279-M283 WeakPolarHBondContact O-CG 3.5Å; S279-M283 PolarHBondContact O-N 2.87Å |
| 280 | L | 92.5 | Very high | 91.4 | Very high | 122 Ų | 122 | 95.5 Ų | 95.5 | 64% | 0.639 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 176.8 | -161.1 | 89.9 | 0 | 0 | 0 | 110.9 | Q276 H277 M283 H284 | Q276-L280 WeakPolarHBondContact O-CB 3.26Å; Q276-L280 PolarHBondContact O-N 3.19Å; H277-L280 PolarHBondContact O-N 3.31Å; L280-M283 PolarHBondContact O-N 2.86Å; L280-H284 VanDerWaalsContact O-CB 3.31Å; L280-H284 WeakPolarHBondContact O-CB 3.47Å; L280-H284 PolarHBondContact O-N 2.73Å |
| 281 | Q | 91.6 | Very high | 91 | Very high | 105 Ų | 105 | 98.4 Ų | 98.4 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 176.4 | -170.1 | -179.6 | 37.8 | 0 | 0 | 111.4 | H277 S279 H284 A285 | H277-Q281 VanDerWaalsContact O-CB 3.24Å; H277-Q281 WeakPolarHBondContact O-CB 3.07Å; H277-Q281 PolarHBondContact O-N 3.44Å; S279-Q281 PolarHBondContact O-N 3.06Å; Q281-H284 PolarHBondContact O-N 2.87Å; Q281-A285 VanDerWaalsContact O-CB 3.32Å; Q281-A285 WeakPolarHBondContact O-CB 3.48Å; Q281-A285 PolarHBondContact O-N 3.36Å |
| 282 | K | 92.8 | Very high | 90.7 | Very high | 151 Ų | 151 | 95.1 Ų | 95.1 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.7 | -42.7 | 173.5 | -74.6 | 173.6 | -176.7 | 175.6 | 0 | 111.7 | Q278 S279 A285 F286 | Q278-K282 WeakPolarHBondContact O-CB 3.32Å; Q278-K282 VanDerWaalsContact O-CG 3.3Å; Q278-K282 WeakPolarHBondContact O-CG 3.18Å; Q278-K282 PolarHBondContact O-N 3.02Å; S279-K282 PolarHBondContact O-N 3.36Å; K282-A285 PolarHBondContact O-N 2.99Å; K282-F286 WeakPolarHBondContact O-CB 3.41Å; K282-F286 PolarHBondContact O-N 3.3Å |
| 283 | M | 90.1 | Very high | 90.5 | Very high | 126 Ų | 126 | 99 Ų | 99 | 62% | 0.621 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.9 | -44.6 | 175.5 | -75.9 | -61.7 | -65.2 | 0 | 0 | 111.8 | S279 L280 F286 S287 | S279-M283 WeakPolarHBondContact O-CG 3.5Å; S279-M283 PolarHBondContact O-N 2.87Å; L280-M283 PolarHBondContact O-N 2.86Å; M283-F286 PolarHBondContact O-N 3.39Å; M283-S287 WeakPolarHBondContact O-CB 3.32Å; M283-S287 PolarHBondContact O-N 3.26Å |
| 284 | H | 88.6 | Confident | 90.1 | Very high | 123 Ų | 123 | 98.3 Ų | 98.3 | 57% | 0.569 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 176.8 | -178.2 | -101 | 0 | 0 | 0 | 111.5 | L280 Q281 F286 S287 K288 | L280-H284 VanDerWaalsContact O-CB 3.31Å; L280-H284 WeakPolarHBondContact O-CB 3.47Å; L280-H284 PolarHBondContact O-N 2.73Å; Q281-H284 PolarHBondContact O-N 2.87Å; H284-F286 VanDerWaalsContact C-N 3.33Å; H284-F286 PolarHBondContact O-N 2.85Å; H284-S287 PolarHBondContact O-N 3.44Å; H284-K288 VanDerWaalsContact O-CB 3.28Å; H284-K288 WeakPolarHBondContact O-CB 3.23Å; H284-K288 PolarHBondContact O-N 3.19Å |
| 285 | A | 87.6 | Confident | 89.4 | Confident | 56 Ų | 56 | 96.1 Ų | 96.1 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q281 K282 Q289 | Q281-A285 VanDerWaalsContact O-CB 3.32Å; Q281-A285 WeakPolarHBondContact O-CB 3.48Å; Q281-A285 PolarHBondContact O-N 3.36Å; K282-A285 PolarHBondContact O-N 2.99Å; A285-Q289 PolarHBondContact O-N 2.73Å |
| 286 | F | 92.2 | Very high | 88.8 | Confident | 101 Ų | 101 | 95.2 Ų | 95.2 | 44% | 0.443 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 175.7 | 179.2 | -101.7 | 0 | 0 | 0 | 112.2 | K282 M283 H284 Q289 Q290 | K282-F286 WeakPolarHBondContact O-CB 3.41Å; K282-F286 PolarHBondContact O-N 3.3Å; M283-F286 PolarHBondContact O-N 3.39Å; H284-F286 VanDerWaalsContact C-N 3.33Å; H284-F286 PolarHBondContact O-N 2.85Å; F286-Q289 WeakPolarHBondContact O-CB 3.31Å; F286-Q289 PolarHBondContact O-N 2.85Å; F286-Q290 HydrophobicContact CD1-CG 4.46Å; F286-Q290 VanDerWaalsContact CE1-CD 3.47Å; F286-Q290 HydrophobicContact CE1-CG 4.05Å; F286-Q290 HydrophobicContact CZ-CG 4.12Å; F286-Q290 PolarHBondContact O-N 3.16Å |
| 287 | S | 90.3 | Very high | 88.6 | Confident | 66 Ų | 66 | 95.8 Ų | 95.8 | 46% | 0.462 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | M283 H284 Q289 Q290 M291 | M283-S287 WeakPolarHBondContact O-CB 3.32Å; M283-S287 PolarHBondContact O-N 3.26Å; H284-S287 PolarHBondContact O-N 3.44Å; S287-Q289 VanDerWaalsContact C-N 3.3Å; S287-Q289 PolarHBondContact O-N 3.36Å; S287-Q290 PolarHBondContact O-N 2.93Å; S287-Q290 VanDerWaalsContact O-N 3.16Å; S287-M291 WeakPolarHBondContact O-CB 3.31Å; S287-M291 PolarHBondContact O-N 2.96Å |
| 288 | K | 85.6 | Confident | 88 | Confident | 52 Ų | 52 | 94.4 Ų | 94.4 | 23% | 0.226 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 174 | -168.4 | 172.8 | -174.8 | 172.6 | 0 | 111.1 | H284 Q292 E438 | H284-K288 VanDerWaalsContact O-CB 3.28Å; H284-K288 WeakPolarHBondContact O-CB 3.23Å; H284-K288 PolarHBondContact O-N 3.19Å; K288-Q292 WeakPolarHBondContact O-CB 3.38Å; K288-Q292 PolarHBondContact O-N 3.01Å; K288-E438 IonicContact NZ-OE1 3.59Å; K288-E438 PolarHBondContact NZ-OE1 2.85Å; K288-E438 IonicContact NZ-OE2 3.66Å; K288-E438 PolarHBondContact NZ-OE2 3.46Å |
| 289 | Q | 89.6 | Confident | 87.2 | Confident | 102 Ų | 102 | 90.5 Ų | 90.5 | 48% | 0.477 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 175.9 | -168.9 | -177.4 | 17.1 | 0 | 0 | 112.6 | A285 F286 S287 Q292 R293 | A285-Q289 PolarHBondContact O-N 2.73Å; F286-Q289 WeakPolarHBondContact O-CB 3.31Å; F286-Q289 PolarHBondContact O-N 2.85Å; S287-Q289 VanDerWaalsContact C-N 3.3Å; S287-Q289 PolarHBondContact O-N 3.36Å; Q289-Q292 PolarHBondContact O-N 2.92Å; Q289-R293 WeakPolarHBondContact O-CG 3.36Å; Q289-R293 PolarHBondContact O-N 3.35Å; Q289-R293 VanDerWaalsContact O-N 3.09Å |
| 290 | Q | 88.5 | Confident | 86.7 | Confident | 101 Ų | 101 | 90.8 Ų | 90.8 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.3 | -75.6 | -167.7 | -25.4 | 0 | 0 | 111.7 | F286 S287 Q292 R293 M294 | F286-Q290 HydrophobicContact CD1-CG 4.46Å; F286-Q290 VanDerWaalsContact CE1-CD 3.47Å; F286-Q290 HydrophobicContact CE1-CG 4.05Å; F286-Q290 HydrophobicContact CZ-CG 4.12Å; F286-Q290 PolarHBondContact O-N 3.16Å; S287-Q290 PolarHBondContact O-N 2.93Å; S287-Q290 VanDerWaalsContact O-N 3.16Å; Q290-Q292 VanDerWaalsContact C-N 3.32Å; Q290-Q292 PolarHBondContact O-N 3.32Å; Q290-R293 WeakPolarHBondContact O-CB 3.33Å; Q290-R293 PolarHBondContact O-N 2.91Å; Q290-M294 PolarHBondContact O-N 3.4Å |
| 291 | M | 85.1 | Confident | 86 | Confident | 90 Ų | 90 | 90.1 Ų | 90.1 | 44% | 0.443 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 176.7 | -178.5 | 164.4 | 59.1 | 0 | 0 | 111.7 | S287 R293 M294 K295 | S287-M291 WeakPolarHBondContact O-CB 3.31Å; S287-M291 PolarHBondContact O-N 2.96Å; M291-R293 VanDerWaalsContact C-N 3.34Å; M291-R293 PolarHBondContact O-N 3.23Å; M291-M294 PolarHBondContact O-N 3.38Å; M291-K295 HydrophobicContact CG-CD 4.43Å; M291-K295 WeakPolarHBondContact O-CG 3.39Å; M291-K295 PolarHBondContact O-N 2.89Å |
| 292 | Q | 85.1 | Confident | 85.1 | Confident | 39 Ų | 39 | 88 Ų | 88 | 18% | 0.182 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.8 | -170.4 | 66.3 | 8.1 | 0 | 0 | 112 | K288 Q289 Q290 M294 K295 V296 | K288-Q292 WeakPolarHBondContact O-CB 3.38Å; K288-Q292 PolarHBondContact O-N 3.01Å; Q289-Q292 PolarHBondContact O-N 2.92Å; Q290-Q292 VanDerWaalsContact C-N 3.32Å; Q290-Q292 PolarHBondContact O-N 3.32Å; Q292-M294 VanDerWaalsContact C-N 3.35Å; Q292-M294 PolarHBondContact O-N 2.9Å; Q292-K295 PolarHBondContact O-N 3.17Å; Q292-V296 WeakPolarHBondContact O-CG2 3.36Å; Q292-V296 PolarHBondContact O-N 3.01Å |
| 293 | R | 87.7 | Confident | 84.2 | Confident | 141 Ų | 141 | 86.7 Ų | 86.7 | 53% | 0.532 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.3 | -70.3 | 176.7 | -171.4 | 173.4 | 5.4 | 111.5 | Q289 Q290 M291 V296 Q297 | Q289-R293 WeakPolarHBondContact O-CG 3.36Å; Q289-R293 PolarHBondContact O-N 3.35Å; Q289-R293 VanDerWaalsContact O-N 3.09Å; Q290-R293 WeakPolarHBondContact O-CB 3.33Å; Q290-R293 PolarHBondContact O-N 2.91Å; M291-R293 VanDerWaalsContact C-N 3.34Å; M291-R293 PolarHBondContact O-N 3.23Å; R293-V296 PolarHBondContact O-N 3.47Å; R293-Q297 WeakPolarHBondContact O-CG 3.49Å; R293-Q297 PolarHBondContact O-N 2.99Å |
| 294 | M | 84.9 | Confident | 83.3 | Confident | 108 Ų | 108 | 85.4 Ų | 85.4 | 53% | 0.532 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 178.3 | -169.4 | 172 | 69.3 | 0 | 0 | 111.8 | Q290 M291 Q292 V296 Q297 I298 | Q290-M294 PolarHBondContact O-N 3.4Å; M291-M294 PolarHBondContact O-N 3.38Å; Q292-M294 VanDerWaalsContact C-N 3.35Å; Q292-M294 PolarHBondContact O-N 2.9Å; M294-V296 PolarHBondContact O-N 3.41Å; M294-Q297 WeakPolarHBondContact O-CB 3.4Å; M294-Q297 PolarHBondContact O-N 2.93Å; M294-I298 HydrophobicContact CG-CD1 4.13Å; M294-I298 WeakPolarHBondContact O-CG1 3.08Å; M294-I298 PolarHBondContact O-N 2.95Å |
| 295 | K | 79.8 | Confident | 82.3 | Confident | 57 Ų | 57 | 86 Ų | 86 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.9 | -71.8 | -178.4 | -180 | -179.8 | 0 | 112.5 | M291 Q292 Q297 I298 A299 L428 E431 | M291-K295 HydrophobicContact CG-CD 4.43Å; M291-K295 WeakPolarHBondContact O-CG 3.39Å; M291-K295 PolarHBondContact O-N 2.89Å; Q292-K295 PolarHBondContact O-N 3.17Å; K295-Q297 VanDerWaalsContact C-N 3.35Å; K295-I298 PolarHBondContact O-N 3.5Å; K295-A299 WeakPolarHBondContact O-CB 3.39Å; K295-A299 PolarHBondContact O-N 2.85Å; K295-L428 HydrophobicContact CB-CD2 3.96Å; K295-L428 HydrophobicContact CD-CD2 4.34Å; K295-E431 IonicContact NZ-OE1 2.96Å; K295-E431 PolarHBondContact NZ-OE1 2.92Å; K295-E431 IonicContact NZ-OE2 2.84Å; K295-E431 PolarHBondContact NZ-OE2 2.92Å |
| 296 | V | 83.4 | Confident | 81.1 | Confident | 69 Ų | 69 | 86 Ų | 86 | 42% | 0.418 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 175.3 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | Q292 R293 M294 A299 T300 | Q292-V296 WeakPolarHBondContact O-CG2 3.36Å; Q292-V296 PolarHBondContact O-N 3.01Å; R293-V296 PolarHBondContact O-N 3.47Å; M294-V296 PolarHBondContact O-N 3.41Å; V296-A299 PolarHBondContact O-N 3.5Å; V296-T300 WeakPolarHBondContact O-CB 3.45Å; V296-T300 PolarHBondContact O-N 2.88Å; V296-T300 PolarHBondContact O-OG1 3.36Å |
| 297 | Q | 86.3 | Confident | 79.6 | Confident | 126 Ų | 126 | 85.6 Ų | 85.6 | 59% | 0.589 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 174.4 | -72.4 | 173.4 | -8.4 | 0 | 0 | 111.9 | R293 M294 K295 T300 L301 | R293-Q297 WeakPolarHBondContact O-CG 3.49Å; R293-Q297 PolarHBondContact O-N 2.99Å; M294-Q297 WeakPolarHBondContact O-CB 3.4Å; M294-Q297 PolarHBondContact O-N 2.93Å; K295-Q297 VanDerWaalsContact C-N 3.35Å; Q297-T300 PolarHBondContact O-N 3.16Å; Q297-L301 WeakPolarHBondContact O-CG 3.45Å; Q297-L301 PolarHBondContact O-N 2.95Å |
| 298 | I | 80.9 | Confident | 78.2 | Confident | 81 Ų | 81 | 91.9 Ų | 91.9 | 42% | 0.415 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 176.5 | -67.3 | 166.1 | 0 | 0 | 0 | 111 | M294 K295 T300 L301 M302 | M294-I298 HydrophobicContact CG-CD1 4.13Å; M294-I298 WeakPolarHBondContact O-CG1 3.08Å; M294-I298 PolarHBondContact O-N 2.95Å; K295-I298 PolarHBondContact O-N 3.5Å; I298-T300 VanDerWaalsContact C-N 3.28Å; I298-T300 PolarHBondContact O-N 3.38Å; I298-L301 PolarHBondContact O-N 3.26Å; I298-M302 HydrophobicContact CG2-CG 4.45Å; I298-M302 HydrophobicContact CG2-SD 4.14Å; I298-M302 WeakPolarHBondContact O-CG 3.04Å; I298-M302 PolarHBondContact O-N 3.24Å |
| 299 | A | 77.6 | Confident | 77 | Confident | 21 Ų | 21 | 92.3 Ų | 92.3 | 17% | 0.174 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K295 V296 M302 Q303 I424 L428 | K295-A299 WeakPolarHBondContact O-CB 3.39Å; K295-A299 PolarHBondContact O-N 2.85Å; V296-A299 PolarHBondContact O-N 3.5Å; A299-M302 PolarHBondContact O-N 2.78Å; A299-Q303 WeakPolarHBondContact O-CB 3.4Å; A299-Q303 PolarHBondContact O-N 3.26Å; A299-I424 HydrophobicContact CB-CG2 3.91Å; A299-L428 HydrophobicContact CB-CD1 4.14Å |
| 300 | T | 80.6 | Confident | 75.9 | Confident | 69 Ų | 69 | 89.7 Ų | 89.7 | 42% | 0.423 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 176.2 | -54 | 0 | 0 | 0 | 0 | 111.2 | V296 Q297 I298 M302 Q303 L304 | V296-T300 WeakPolarHBondContact O-CB 3.45Å; V296-T300 PolarHBondContact O-N 2.88Å; V296-T300 PolarHBondContact O-OG1 3.36Å; Q297-T300 PolarHBondContact O-N 3.16Å; I298-T300 VanDerWaalsContact C-N 3.28Å; I298-T300 PolarHBondContact O-N 3.38Å; T300-M302 PolarHBondContact O-N 2.83Å; T300-Q303 PolarHBondContact O-N 3.36Å; T300-L304 HydrophobicContact CG2-CD1 4.25Å; T300-L304 VanDerWaalsContact O-CG 3.31Å; T300-L304 WeakPolarHBondContact O-CG 3.33Å; T300-L304 PolarHBondContact O-N 2.74Å |
| 301 | L | 78.9 | Confident | 75 | Confident | 108 Ų | 108 | 89.5 Ų | 89.5 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 176.9 | -74.1 | 171.5 | 0 | 0 | 0 | 112 | Q297 I298 Q303 L304 Q305 | Q297-L301 WeakPolarHBondContact O-CG 3.45Å; Q297-L301 PolarHBondContact O-N 2.95Å; I298-L301 PolarHBondContact O-N 3.26Å; L301-Q303 VanDerWaalsContact C-N 3.35Å; L301-Q303 PolarHBondContact O-N 3.11Å; L301-L304 PolarHBondContact O-N 3.43Å; L301-Q305 WeakPolarHBondContact O-CG 3.31Å; L301-Q305 PolarHBondContact O-N 2.64Å |
| 302 | M | 72.5 | Confident | 74.4 | Confident | 60 Ų | 60 | 88 Ų | 88 | 30% | 0.296 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 176.1 | -74.9 | -176.4 | 65.8 | 0 | 0 | 112.3 | I298 A299 T300 Q305 G306 I424 | I298-M302 HydrophobicContact CG2-CG 4.45Å; I298-M302 HydrophobicContact CG2-SD 4.14Å; I298-M302 WeakPolarHBondContact O-CG 3.04Å; I298-M302 PolarHBondContact O-N 3.24Å; A299-M302 PolarHBondContact O-N 2.78Å; T300-M302 PolarHBondContact O-N 2.83Å; M302-Q305 PolarHBondContact O-N 2.99Å; M302-G306 PolarHBondContact O-N 2.78Å; M302-I424 HydrophobicContact CE-CD1 3.39Å; M302-I424 HydrophobicContact SD-CD1 3.2Å; M302-I424 WeakPolarHBondContact SD-CD1 3.47Å |
| 303 | Q | 73 | Confident | 73.6 | Confident | 124 Ų | 124 | 89.4 Ų | 89.4 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.9 | -39 | 175.2 | -173.3 | 171 | 11.3 | 0 | 0 | 112 | A299 T300 L301 Q305 G306 S307 | A299-Q303 WeakPolarHBondContact O-CB 3.4Å; A299-Q303 PolarHBondContact O-N 3.26Å; T300-Q303 PolarHBondContact O-N 3.36Å; L301-Q303 VanDerWaalsContact C-N 3.35Å; L301-Q303 PolarHBondContact O-N 3.11Å; Q303-Q305 VanDerWaalsContact C-N 3.31Å; Q303-G306 PolarHBondContact O-N 3.48Å; Q303-S307 PolarHBondContact O-N 3.42Å |
| 304 | L | 71.6 | Confident | 73 | Confident | 99 Ų | 99 | 87.3 Ų | 87.3 | 52% | 0.518 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.4 | -28.9 | 173.7 | -69.2 | 171.8 | 0 | 0 | 0 | 112.7 | T300 L301 S307 | T300-L304 HydrophobicContact CG2-CD1 4.25Å; T300-L304 VanDerWaalsContact O-CG 3.31Å; T300-L304 WeakPolarHBondContact O-CG 3.33Å; T300-L304 PolarHBondContact O-N 2.74Å; L301-L304 PolarHBondContact O-N 3.43Å; L304-S307 PolarHBondContact O-OG 2.99Å; L304-S307 VanDerWaalsContact O-OG 3.1Å |
| 305 | Q | 67.8 | Low | 72.8 | Confident | 137 Ų | 137 | 88.9 Ų | 88.9 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -77.2 | -33.5 | 173.4 | -76.5 | -179.8 | -26.1 | 0 | 0 | 112.4 | L301 M302 Q303 S307 R308 | L301-Q305 WeakPolarHBondContact O-CG 3.31Å; L301-Q305 PolarHBondContact O-N 2.64Å; M302-Q305 PolarHBondContact O-N 2.99Å; Q303-Q305 VanDerWaalsContact C-N 3.31Å; Q305-S307 PolarHBondContact O-N 2.82Å; Q305-R308 PolarHBondContact O-N 3.29Å |
| 306 | G | 62.2 | Low | 72.9 | Confident | 55 Ų | 55 | 93.3 Ų | 93.3 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.1 | -20.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M302 Q303 | M302-G306 PolarHBondContact O-N 2.78Å; Q303-G306 PolarHBondContact O-N 3.48Å |
| 307 | S | 60.1 | Low | 72.7 | Confident | 93 Ų | 93 | 94.3 Ų | 94.3 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -8.9 | 177.3 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | Q303 L304 Q305 | Q303-S307 PolarHBondContact O-N 3.42Å; L304-S307 PolarHBondContact O-OG 2.99Å; L304-S307 VanDerWaalsContact O-OG 3.1Å; Q305-S307 PolarHBondContact O-N 2.82Å |
| 308 | R | 61.4 | Low | 72.6 | Confident | 197 Ų | 197 | 95.1 Ų | 95.1 | 74% | 0.743 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -84.1 | 133.4 | 173.4 | -72.4 | -175.6 | 179.8 | -162.5 | -0.8 | 109.7 | Q305 D310 | Q305-R308 PolarHBondContact O-N 3.29Å; R308-D310 PolarHBondContact O-N 2.78Å |
| 309 | A | 60.2 | Low | 72.9 | Confident | 62 Ų | 62 | 94.5 Ų | 94.5 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 138.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109 | P311 L314 | A309-P311 WeakPolarHBondContact O-CD 3.2Å; A309-L314 HydrophobicContact CB-CD1 4.17Å; A309-L314 HydrophobicContact CB-CG 4.48Å |
| 310 | D | 67.1 | Low | 73.2 | Confident | 46 Ų | 46 | 97.8 Ų | 97.8 | 25% | 0.246 | 52% | 0.522 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 119.2 | -173.5 | -169 | 56.1 | 0 | 0 | 0 | 109.7 | R308 A312 Q313 L314 K417 | R308-D310 PolarHBondContact O-N 2.78Å; D310-A312 PolarHBondContact O-N 3.28Å; D310-Q313 HydrophobicContact CB-CB 4.01Å; D310-Q313 WeakPolarHBondContact O-CB 3.33Å; D310-Q313 PolarHBondContact O-N 2.9Å; D310-L314 PolarHBondContact O-N 2.73Å; D310-L314 VanDerWaalsContact O-N 3.14Å; D310-K417 IonicContact OD1-NZ 2.64Å; D310-K417 PolarHBondContact OD1-NZ 2.96Å |
| 311 | P | 69.8 | Low | 73.5 | Confident | 97 Ų | 97 | 99.8 Ų | 99.8 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.2 | -32.6 | -174.5 | 19.4 | -29.3 | 0 | 0 | 0 | 112 | A309 Q313 L314 E315 | A309-P311 WeakPolarHBondContact O-CD 3.2Å; P311-Q313 PolarHBondContact O-N 3.45Å; P311-L314 PolarHBondContact O-N 2.89Å; P311-E315 WeakPolarHBondContact O-CB 3.25Å; P311-E315 PolarHBondContact O-N 3.49Å |
| 312 | A | 71.1 | Confident | 74 | Confident | 58 Ų | 58 | 97.6 Ų | 97.6 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.6 | -33.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D310 R316 | D310-A312 PolarHBondContact O-N 3.28Å; A312-R316 WeakPolarHBondContact O-CB 3.5Å; A312-R316 PolarHBondContact O-N 3.46Å |
| 313 | Q | 68.9 | Low | 75 | Confident | 69 Ų | 69 | 100.6 Ų | 100.6 | 32% | 0.322 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | 174.2 | -172.4 | -176.2 | 18.6 | 0 | 0 | 111.8 | D310 P311 R316 L317 | D310-Q313 HydrophobicContact CB-CB 4.01Å; D310-Q313 WeakPolarHBondContact O-CB 3.33Å; D310-Q313 PolarHBondContact O-N 2.9Å; P311-Q313 PolarHBondContact O-N 3.45Å; Q313-R316 PolarHBondContact O-N 2.84Å; Q313-L317 HydrophobicContact CG-CD1 4.33Å; Q313-L317 WeakPolarHBondContact O-CB 3.25Å; Q313-L317 WeakPolarHBondContact O-CG 3.36Å; Q313-L317 PolarHBondContact O-N 3.44Å |
| 314 | L | 76 | Confident | 75.7 | Confident | 98 Ų | 98 | 100.3 Ų | 100.3 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.9 | -75.2 | 172.1 | 0 | 0 | 0 | 111.5 | A309 D310 P311 L317 Q318 | A309-L314 HydrophobicContact CB-CD1 4.17Å; A309-L314 HydrophobicContact CB-CG 4.48Å; D310-L314 PolarHBondContact O-N 2.73Å; D310-L314 VanDerWaalsContact O-N 3.14Å; P311-L314 PolarHBondContact O-N 2.89Å; L314-L317 PolarHBondContact O-N 3.4Å; L314-Q318 VanDerWaalsContact O-CB 3.3Å; L314-Q318 WeakPolarHBondContact O-CB 3.41Å; L314-Q318 PolarHBondContact O-N 2.94Å |
| 315 | E | 80 | Confident | 76.5 | Confident | 140 Ų | 140 | 99.2 Ų | 99.2 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.5 | -40.6 | 178.4 | -165 | 168.8 | -159.4 | 0 | 0 | 111.9 | P311 Q318 S319 | P311-E315 WeakPolarHBondContact O-CB 3.25Å; P311-E315 PolarHBondContact O-N 3.49Å; E315-Q318 PolarHBondContact O-N 3.28Å; E315-S319 WeakPolarHBondContact O-CB 3.24Å; E315-S319 PolarHBondContact O-N 3.22Å |
| 316 | R | 80.8 | Confident | 77.6 | Confident | 151 Ų | 151 | 96.3 Ų | 96.3 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -44.8 | 174.3 | -171.8 | -177.5 | -68 | 174.3 | 2.8 | 112.3 | A312 Q313 Q318 S319 M320 E406 | A312-R316 WeakPolarHBondContact O-CB 3.5Å; A312-R316 PolarHBondContact O-N 3.46Å; Q313-R316 PolarHBondContact O-N 2.84Å; R316-Q318 VanDerWaalsContact C-N 3.29Å; R316-Q318 PolarHBondContact O-N 3.46Å; R316-S319 PolarHBondContact O-N 2.92Å; R316-M320 PolarHBondContact O-N 3.45Å; R316-E406 IonicContact NH1-OE1 3.96Å; R316-E406 PolarHBondContact NH1-OE1 3.23Å |
| 317 | L | 79.9 | Confident | 79.1 | Confident | 89 Ų | 89 | 97.9 Ų | 97.9 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.9 | -75.9 | 172.3 | 0 | 0 | 0 | 111 | Q313 L314 S319 M320 L321 | Q313-L317 HydrophobicContact CG-CD1 4.33Å; Q313-L317 WeakPolarHBondContact O-CB 3.25Å; Q313-L317 WeakPolarHBondContact O-CG 3.36Å; Q313-L317 PolarHBondContact O-N 3.44Å; L314-L317 PolarHBondContact O-N 3.4Å; L317-S319 VanDerWaalsContact C-N 3.34Å; L317-S319 PolarHBondContact O-N 2.87Å; L317-M320 HydrophobicContact CD2-CE 4.06Å; L317-M320 PolarHBondContact O-N 3.3Å; L317-L321 WeakPolarHBondContact O-CB 3.5Å; L317-L321 PolarHBondContact O-N 2.96Å |
| 318 | Q | 84.9 | Confident | 80.6 | Confident | 143 Ų | 143 | 97.7 Ų | 97.7 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -38.8 | 175.9 | -169 | 170.2 | 4.3 | 0 | 0 | 112 | L314 E315 R316 L321 S322 | L314-Q318 VanDerWaalsContact O-CB 3.3Å; L314-Q318 WeakPolarHBondContact O-CB 3.41Å; L314-Q318 PolarHBondContact O-N 2.94Å; E315-Q318 PolarHBondContact O-N 3.28Å; R316-Q318 VanDerWaalsContact C-N 3.29Å; R316-Q318 PolarHBondContact O-N 3.46Å; Q318-L321 PolarHBondContact O-N 3.27Å; Q318-S322 PolarHBondContact O-N 3.49Å; Q318-S322 PolarHBondContact O-OG 2.65Å |
| 319 | S | 85.8 | Confident | 82 | Confident | 68 Ų | 68 | 94 Ų | 94 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 174.2 | -170.6 | 0 | 0 | 0 | 0 | 112.9 | E315 R316 L317 L321 S322 E323 | E315-S319 WeakPolarHBondContact O-CB 3.24Å; E315-S319 PolarHBondContact O-N 3.22Å; R316-S319 PolarHBondContact O-N 2.92Å; L317-S319 VanDerWaalsContact C-N 3.34Å; L317-S319 PolarHBondContact O-N 2.87Å; S319-L321 VanDerWaalsContact C-N 3.31Å; S319-L321 PolarHBondContact O-N 3.41Å; S319-S322 PolarHBondContact O-N 3.21Å; S319-S322 PolarHBondContact O-OG 2.97Å; S319-E323 WeakPolarHBondContact O-CB 3.46Å; S319-E323 PolarHBondContact O-N 3.39Å |
| 320 | M | 83.9 | Confident | 83.5 | Confident | 90 Ų | 90 | 94.3 Ų | 94.3 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 176.1 | -74.2 | -154.3 | -63.6 | 0 | 0 | 111.9 | R316 L317 E323 K324 | R316-M320 PolarHBondContact O-N 3.45Å; L317-M320 HydrophobicContact CD2-CE 4.06Å; L317-M320 PolarHBondContact O-N 3.3Å; M320-E323 PolarHBondContact O-N 3Å; M320-K324 WeakPolarHBondContact O-CB 3.3Å; M320-K324 VanDerWaalsContact O-CG 3.26Å; M320-K324 WeakPolarHBondContact O-CG 2.96Å; M320-K324 PolarHBondContact O-N 3.2Å |
| 321 | L | 88.8 | Confident | 84.6 | Confident | 111 Ų | 111 | 96.3 Ų | 96.3 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.2 | -39.5 | 178.6 | -141.1 | 156.8 | 0 | 0 | 0 | 110.9 | L317 Q318 S319 N325 | L317-L321 WeakPolarHBondContact O-CB 3.5Å; L317-L321 PolarHBondContact O-N 2.96Å; Q318-L321 PolarHBondContact O-N 3.27Å; S319-L321 VanDerWaalsContact C-N 3.31Å; S319-L321 PolarHBondContact O-N 3.41Å; L321-N325 WeakPolarHBondContact CD2-ND2 3.41Å; L321-N325 VanDerWaalsContact O-CB 3.32Å; L321-N325 WeakPolarHBondContact O-CB 3.34Å; L321-N325 PolarHBondContact O-N 3.06Å; L321-N325 PolarHBondContact O-ND2 3.19Å |
| 322 | S | 89.4 | Confident | 85.3 | Confident | 63 Ų | 63 | 96.4 Ų | 96.4 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 173.9 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | Q318 S319 K324 N325 T326 | Q318-S322 PolarHBondContact O-N 3.49Å; Q318-S322 PolarHBondContact O-OG 2.65Å; S319-S322 PolarHBondContact O-N 3.21Å; S319-S322 PolarHBondContact O-OG 2.97Å; S322-K324 PolarHBondContact O-N 3.4Å; S322-N325 PolarHBondContact O-N 2.92Å; S322-T326 WeakPolarHBondContact O-CG2 3.48Å; S322-T326 PolarHBondContact O-N 2.97Å |
| 323 | E | 91.4 | Very high | 86.2 | Confident | 122 Ų | 122 | 96.3 Ų | 96.3 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.3 | -49.4 | 176.2 | -172.1 | -179.8 | -177.3 | 0 | 0 | 111.3 | S319 M320 N325 T326 E327 | S319-E323 WeakPolarHBondContact O-CB 3.46Å; S319-E323 PolarHBondContact O-N 3.39Å; M320-E323 PolarHBondContact O-N 3Å; E323-N325 VanDerWaalsContact C-N 3.3Å; E323-N325 PolarHBondContact O-N 3.03Å; E323-T326 PolarHBondContact O-N 3.34Å; E323-T326 VanDerWaalsContact O-N 3.09Å; E323-T326 PolarHBondContact O-OG1 3.38Å; E323-E327 PolarHBondContact O-N 3.41Å |
| 324 | K | 88.1 | Confident | 87.3 | Confident | 118 Ų | 118 | 98.8 Ų | 98.8 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 176.7 | -71.7 | -73.6 | 159.4 | -163.9 | 0 | 112.6 | M320 S322 E327 I328 | M320-K324 WeakPolarHBondContact O-CB 3.3Å; M320-K324 VanDerWaalsContact O-CG 3.26Å; M320-K324 WeakPolarHBondContact O-CG 2.96Å; M320-K324 PolarHBondContact O-N 3.2Å; S322-K324 PolarHBondContact O-N 3.4Å; K324-E327 IonicContact NZ-OE2 2.78Å; K324-E327 PolarHBondContact NZ-OE2 3.31Å; K324-E327 WeakPolarHBondContact O-CB 3.36Å; K324-E327 PolarHBondContact O-N 2.94Å; K324-I328 VanDerWaalsContact O-CG1 3.27Å; K324-I328 WeakPolarHBondContact O-CG1 3.27Å; K324-I328 PolarHBondContact O-N 2.91Å |
| 325 | N | 88.7 | Confident | 87.8 | Confident | 77 Ų | 77 | 98.9 Ų | 98.9 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 174.1 | -76.1 | -23.8 | 0 | 0 | 0 | 112.3 | L321 S322 E323 E327 I328 Q329 | L321-N325 WeakPolarHBondContact CD2-ND2 3.41Å; L321-N325 VanDerWaalsContact O-CB 3.32Å; L321-N325 WeakPolarHBondContact O-CB 3.34Å; L321-N325 PolarHBondContact O-N 3.06Å; L321-N325 PolarHBondContact O-ND2 3.19Å; S322-N325 PolarHBondContact O-N 2.92Å; E323-N325 VanDerWaalsContact C-N 3.3Å; E323-N325 PolarHBondContact O-N 3.03Å; N325-E327 VanDerWaalsContact C-N 3.34Å; N325-I328 PolarHBondContact O-N 3.2Å; N325-Q329 WeakPolarHBondContact O-CG 3.35Å; N325-Q329 PolarHBondContact O-N 2.93Å |
| 326 | T | 91.1 | Very high | 88.1 | Confident | 75 Ų | 75 | 97.5 Ų | 97.5 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 173.2 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | S322 E323 I328 Q329 T330 | S322-T326 WeakPolarHBondContact O-CG2 3.48Å; S322-T326 PolarHBondContact O-N 2.97Å; E323-T326 PolarHBondContact O-N 3.34Å; E323-T326 VanDerWaalsContact O-N 3.09Å; E323-T326 PolarHBondContact O-OG1 3.38Å; T326-I328 PolarHBondContact O-N 2.96Å; T326-Q329 WeakPolarHBondContact O-CB 3.27Å; T326-Q329 PolarHBondContact O-N 2.94Å; T326-T330 WeakPolarHBondContact O-CG2 3.38Å; T326-T330 PolarHBondContact O-N 2.66Å |
| 327 | E | 93.3 | Very high | 88.4 | Confident | 89 Ų | 89 | 96.7 Ų | 96.7 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 175.5 | -171.2 | 176.7 | -165.3 | 0 | 0 | 111 | E323 K324 N325 Q329 T330 L331 | E323-E327 PolarHBondContact O-N 3.41Å; K324-E327 IonicContact NZ-OE2 2.78Å; K324-E327 PolarHBondContact NZ-OE2 3.31Å; K324-E327 WeakPolarHBondContact O-CB 3.36Å; K324-E327 PolarHBondContact O-N 2.94Å; N325-E327 VanDerWaalsContact C-N 3.34Å; E327-Q329 VanDerWaalsContact C-N 3.33Å; E327-Q329 PolarHBondContact O-N 2.92Å; E327-T330 PolarHBondContact O-N 2.67Å; E327-T330 VanDerWaalsContact O-N 3.12Å; E327-T330 PolarHBondContact O-OG1 3.13Å; E327-L331 HydrophobicContact CG-CD1 4.35Å; E327-L331 WeakPolarHBondContact O-CG 3.36Å; E327-L331 PolarHBondContact O-N 2.88Å |
| 328 | I | 91.9 | Very high | 88.6 | Confident | 89 Ų | 89 | 97.1 Ų | 97.1 | 46% | 0.456 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.5 | -45.4 | 174.8 | -69.7 | 165.8 | 0 | 0 | 0 | 111 | K324 N325 T326 T330 L331 M332 | K324-I328 VanDerWaalsContact O-CG1 3.27Å; K324-I328 WeakPolarHBondContact O-CG1 3.27Å; K324-I328 PolarHBondContact O-N 2.91Å; N325-I328 PolarHBondContact O-N 3.2Å; T326-I328 PolarHBondContact O-N 2.96Å; I328-T330 PolarHBondContact O-N 2.78Å; I328-L331 PolarHBondContact O-N 3.44Å; I328-M332 HydrophobicContact CG2-CE 4.14Å; I328-M332 HydrophobicContact CG2-CG 4.39Å; I328-M332 HydrophobicContact CG2-SD 4.42Å; I328-M332 WeakPolarHBondContact O-CB 3.46Å; I328-M332 WeakPolarHBondContact O-CG 3.42Å; I328-M332 PolarHBondContact O-N 2.9Å |
| 329 | Q | 90.3 | Very high | 88.5 | Confident | 119 Ų | 119 | 95.5 Ų | 95.5 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 175.9 | -71.9 | 176.1 | 7.1 | 0 | 0 | 112 | N325 T326 E327 L331 M332 T333 | N325-Q329 WeakPolarHBondContact O-CG 3.35Å; N325-Q329 PolarHBondContact O-N 2.93Å; T326-Q329 WeakPolarHBondContact O-CB 3.27Å; T326-Q329 PolarHBondContact O-N 2.94Å; E327-Q329 VanDerWaalsContact C-N 3.33Å; E327-Q329 PolarHBondContact O-N 2.92Å; Q329-L331 PolarHBondContact O-N 3.42Å; Q329-M332 HydrophobicContact CG-CE 4.12Å; Q329-M332 PolarHBondContact O-N 2.68Å; Q329-T333 WeakPolarHBondContact O-CG2 3.27Å; Q329-T333 PolarHBondContact O-N 2.72Å; Q329-T333 PolarHBondContact O-OG1 2.99Å |
| 330 | T | 91.4 | Very high | 88.4 | Confident | 68 Ų | 68 | 99 Ų | 99 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 177 | 67.5 | 0 | 0 | 0 | 0 | 112.1 | T326 E327 I328 T333 K334 | T326-T330 WeakPolarHBondContact O-CG2 3.38Å; T326-T330 PolarHBondContact O-N 2.66Å; E327-T330 PolarHBondContact O-N 2.67Å; E327-T330 VanDerWaalsContact O-N 3.12Å; E327-T330 PolarHBondContact O-OG1 3.13Å; I328-T330 PolarHBondContact O-N 2.78Å; T330-T333 PolarHBondContact O-N 3.41Å; T330-T333 PolarHBondContact O-OG1 3.21Å; T330-K334 WeakPolarHBondContact O-CG 3.41Å; T330-K334 PolarHBondContact O-N 2.88Å |
| 331 | L | 90.9 | Very high | 88.1 | Confident | 88 Ų | 88 | 102.2 Ų | 102.2 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 176.7 | -71.8 | 173.8 | 0 | 0 | 0 | 111.6 | E327 I328 Q329 T333 K334 L335 | E327-L331 HydrophobicContact CG-CD1 4.35Å; E327-L331 WeakPolarHBondContact O-CG 3.36Å; E327-L331 PolarHBondContact O-N 2.88Å; I328-L331 PolarHBondContact O-N 3.44Å; Q329-L331 PolarHBondContact O-N 3.42Å; L331-T333 VanDerWaalsContact C-N 3.35Å; L331-T333 PolarHBondContact O-N 3.38Å; L331-K334 PolarHBondContact O-N 3.26Å; L331-K334 VanDerWaalsContact O-N 3.17Å; L331-L335 PolarHBondContact O-N 3.05Å |
| 332 | M | 85.8 | Confident | 87.6 | Confident | 99 Ų | 99 | 101.5 Ų | 101.5 | 49% | 0.488 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 173.3 | -74.6 | -167.2 | -60.4 | 0 | 0 | 111.7 | I328 Q329 K334 L335 Q336 | I328-M332 HydrophobicContact CG2-CE 4.14Å; I328-M332 HydrophobicContact CG2-CG 4.39Å; I328-M332 HydrophobicContact CG2-SD 4.42Å; I328-M332 WeakPolarHBondContact O-CB 3.46Å; I328-M332 WeakPolarHBondContact O-CG 3.42Å; I328-M332 PolarHBondContact O-N 2.9Å; Q329-M332 HydrophobicContact CG-CE 4.12Å; Q329-M332 PolarHBondContact O-N 2.68Å; M332-K334 VanDerWaalsContact C-N 3.32Å; M332-K334 PolarHBondContact O-N 3.35Å; M332-L335 PolarHBondContact O-N 2.9Å; M332-Q336 WeakPolarHBondContact O-CG 2.84Å; M332-Q336 PolarHBondContact O-N 3.34Å |
| 333 | T | 88.8 | Confident | 86.7 | Confident | 57 Ų | 57 | 102.8 Ų | 102.8 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -32.3 | 176.8 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | Q329 T330 L331 R337 | Q329-T333 WeakPolarHBondContact O-CG2 3.27Å; Q329-T333 PolarHBondContact O-N 2.72Å; Q329-T333 PolarHBondContact O-OG1 2.99Å; T330-T333 PolarHBondContact O-N 3.41Å; T330-T333 PolarHBondContact O-OG1 3.21Å; L331-T333 VanDerWaalsContact C-N 3.35Å; L331-T333 PolarHBondContact O-N 3.38Å; T333-R337 WeakPolarHBondContact O-CG 3.23Å; T333-R337 PolarHBondContact O-N 3.43Å; T333-R337 VanDerWaalsContact O-N 3.16Å; T333-R337 PolarHBondContact O-NH1 3.47Å; T333-R337 PolarHBondContact OG1-NH1 2.93Å |
| 334 | K | 91.4 | Very high | 85.8 | Confident | 120 Ų | 120 | 103 Ų | 103 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.2 | -44.3 | 174 | -76.4 | 176.4 | -179.2 | 175 | 0 | 111.5 | T330 L331 M332 Q336 R337 L338 | T330-K334 WeakPolarHBondContact O-CG 3.41Å; T330-K334 PolarHBondContact O-N 2.88Å; L331-K334 PolarHBondContact O-N 3.26Å; L331-K334 VanDerWaalsContact O-N 3.17Å; M332-K334 VanDerWaalsContact C-N 3.32Å; M332-K334 PolarHBondContact O-N 3.35Å; K334-Q336 PolarHBondContact O-N 3.16Å; K334-R337 PolarHBondContact O-N 3.03Å; K334-R337 VanDerWaalsContact O-N 3.16Å; K334-L338 WeakPolarHBondContact O-CG 2.96Å; K334-L338 PolarHBondContact O-N 3.49Å |
| 335 | L | 86.8 | Confident | 84.8 | Confident | 100 Ų | 100 | 103.2 Ų | 103.2 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.2 | -49.1 | 174.5 | -83.7 | 168.1 | 0 | 0 | 0 | 111.1 | L331 M332 R337 L338 E339 | L331-L335 PolarHBondContact O-N 3.05Å; M332-L335 PolarHBondContact O-N 2.9Å; L335-R337 VanDerWaalsContact C-N 3.28Å; L335-R337 PolarHBondContact O-N 3.29Å; L335-L338 CarbonylContact O-C 3.54Å; L335-L338 PolarHBondContact O-N 3.26Å; L335-E339 WeakPolarHBondContact O-CG 3.39Å; L335-E339 PolarHBondContact O-N 3.45Å |
| 336 | Q | 86.7 | Confident | 83.5 | Confident | 111 Ų | 111 | 107.1 Ų | 107.1 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.2 | -36.2 | 176.2 | -73.4 | 177.4 | -7.7 | 0 | 0 | 113.4 | M332 K334 K340 | M332-Q336 WeakPolarHBondContact O-CG 2.84Å; M332-Q336 PolarHBondContact O-N 3.34Å; K334-Q336 PolarHBondContact O-N 3.16Å; Q336-K340 WeakPolarHBondContact O-CB 3.28Å; Q336-K340 VanDerWaalsContact O-CG 3.26Å; Q336-K340 WeakPolarHBondContact O-CG 3.3Å; Q336-K340 PolarHBondContact O-N 3.03Å; Q336-K340 VanDerWaalsContact O-N 3.09Å |
| 337 | R | 87.1 | Confident | 81.8 | Confident | 135 Ų | 135 | 107.7 Ų | 107.7 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 174.8 | -73.5 | -178.6 | -166.1 | 105.8 | -6.6 | 111.9 | T333 K334 L335 K340 R341 | T333-R337 WeakPolarHBondContact O-CG 3.23Å; T333-R337 PolarHBondContact O-N 3.43Å; T333-R337 VanDerWaalsContact O-N 3.16Å; T333-R337 PolarHBondContact O-NH1 3.47Å; T333-R337 PolarHBondContact OG1-NH1 2.93Å; K334-R337 PolarHBondContact O-N 3.03Å; K334-R337 VanDerWaalsContact O-N 3.16Å; L335-R337 VanDerWaalsContact C-N 3.28Å; L335-R337 PolarHBondContact O-N 3.29Å; R337-K340 PolarHBondContact O-N 3.25Å; R337-R341 WeakPolarHBondContact O-CG 3.25Å; R337-R341 PolarHBondContact O-N 2.92Å |
| 338 | L | 84.2 | Confident | 79.2 | Confident | 98 Ų | 98 | 110.3 Ų | 110.3 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 177.2 | -71.3 | 172.5 | 0 | 0 | 0 | 111.1 | K334 L335 K340 R341 E342 | K334-L338 WeakPolarHBondContact O-CG 2.96Å; K334-L338 PolarHBondContact O-N 3.49Å; L335-L338 CarbonylContact O-C 3.54Å; L335-L338 PolarHBondContact O-N 3.26Å; L338-K340 VanDerWaalsContact C-N 3.29Å; L338-K340 PolarHBondContact O-N 3.3Å; L338-R341 CarbonylContact O-C 3.59Å; L338-R341 PolarHBondContact O-N 2.97Å; L338-E342 WeakPolarHBondContact O-CB 3.05Å; L338-E342 PolarHBondContact O-N 3.39Å |
| 339 | E | 82.4 | Confident | 76.7 | Confident | 109 Ų | 109 | 111.2 Ų | 111.2 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -57.9 | -40.6 | 172.6 | -72 | 170.7 | 173.9 | 0 | 0 | 111.7 | L335 E342 T343 | L335-E339 WeakPolarHBondContact O-CG 3.39Å; L335-E339 PolarHBondContact O-N 3.45Å; E339-E342 PolarHBondContact O-N 3.09Å; E339-T343 WeakPolarHBondContact O-CB 3.16Å; E339-T343 WeakPolarHBondContact O-CG2 3.26Å; E339-T343 PolarHBondContact O-N 2.96Å; E339-T343 PolarHBondContact O-OG1 2.89Å |
| 340 | K | 83.8 | Confident | 74.7 | Confident | 140 Ų | 140 | 112.1 Ų | 112.1 | 61% | 0.609 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.3 | -40.2 | 172.7 | -75.9 | 174.9 | -176.8 | -177.4 | 0 | 112.9 | Q336 R337 L338 T343 L344 | Q336-K340 WeakPolarHBondContact O-CB 3.28Å; Q336-K340 VanDerWaalsContact O-CG 3.26Å; Q336-K340 WeakPolarHBondContact O-CG 3.3Å; Q336-K340 PolarHBondContact O-N 3.03Å; Q336-K340 VanDerWaalsContact O-N 3.09Å; R337-K340 PolarHBondContact O-N 3.25Å; L338-K340 VanDerWaalsContact C-N 3.29Å; L338-K340 PolarHBondContact O-N 3.3Å; K340-T343 WeakPolarHBondContact CA-OG1 3.43Å; K340-T343 PolarHBondContact O-OG1 3.21Å; K340-L344 WeakPolarHBondContact O-CD1 3.37Å; K340-L344 PolarHBondContact O-N 3.45Å |
| 341 | R | 78.4 | Confident | 71.9 | Confident | 158 Ų | 158 | 115.6 Ų | 115.6 | 60% | 0.596 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.9 | -38.4 | 176.2 | -74 | -179.6 | -174.1 | 146.5 | -1.5 | 112.2 | R337 L338 L344 L345 | R337-R341 WeakPolarHBondContact O-CG 3.25Å; R337-R341 PolarHBondContact O-N 2.92Å; L338-R341 CarbonylContact O-C 3.59Å; L338-R341 PolarHBondContact O-N 2.97Å; R341-L344 WeakPolarHBondContact O-CB 3.23Å; R341-L344 PolarHBondContact O-N 2.86Å; R341-L345 PolarHBondContact O-N 3.29Å |
| 342 | E | 77.9 | Confident | 69.4 | Low | 96 Ų | 96 | 117.1 Ų | 117.1 | 45% | 0.449 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -43.5 | 177.3 | -170.2 | -168.4 | 162.4 | 0 | 0 | 111.1 | L338 E339 L344 L345 K346 | L338-E342 WeakPolarHBondContact O-CB 3.05Å; L338-E342 PolarHBondContact O-N 3.39Å; E339-E342 PolarHBondContact O-N 3.09Å; E342-L344 VanDerWaalsContact C-N 3.31Å; E342-L344 PolarHBondContact O-N 3.48Å; E342-L345 PolarHBondContact O-N 2.92Å; E342-K346 HydrophobicContact CG-CD 4.35Å; E342-K346 WeakPolarHBondContact O-CB 3.36Å; E342-K346 PolarHBondContact O-N 2.67Å; E342-K346 WeakPolarHBondContact OE1-CE 3.48Å; E342-K346 IonicContact OE1-NZ 3.24Å; E342-K346 PolarHBondContact OE1-NZ 3.49Å |
| 343 | T | 69.7 | Low | 67.1 | Low | 91 Ų | 91 | 120.4 Ų | 120.4 | 56% | 0.558 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.1 | -34.2 | 174.5 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | E339 K340 S347 | E339-T343 WeakPolarHBondContact O-CB 3.16Å; E339-T343 WeakPolarHBondContact O-CG2 3.26Å; E339-T343 PolarHBondContact O-N 2.96Å; E339-T343 PolarHBondContact O-OG1 2.89Å; K340-T343 WeakPolarHBondContact CA-OG1 3.43Å; K340-T343 PolarHBondContact O-OG1 3.21Å; T343-S347 WeakPolarHBondContact O-CB 3.34Å; T343-S347 PolarHBondContact O-N 3.24Å; T343-S347 PolarHBondContact O-OG 2.95Å |
| 344 | L | 73.4 | Confident | 65.1 | Low | 126 Ų | 126 | 126.6 Ų | 126.6 | 66% | 0.66 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68 | -37.8 | 171.2 | -99.6 | 140.7 | 0 | 0 | 0 | 113.3 | K340 R341 E342 S347 | K340-L344 WeakPolarHBondContact O-CD1 3.37Å; K340-L344 PolarHBondContact O-N 3.45Å; R341-L344 WeakPolarHBondContact O-CB 3.23Å; R341-L344 PolarHBondContact O-N 2.86Å; E342-L344 VanDerWaalsContact C-N 3.31Å; E342-L344 PolarHBondContact O-N 3.48Å; L344-S347 WeakPolarHBondContact CA-OG 3.32Å; L344-S347 PolarHBondContact O-OG 3.28Å |
| 345 | L | 67.4 | Low | 62.5 | Low | 122 Ų | 122 | 125.2 Ų | 125.2 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.7 | -38.4 | 177.7 | -82 | 156.3 | 0 | 0 | 0 | 112.2 | R341 E342 S347 Q348 | R341-L345 PolarHBondContact O-N 3.29Å; E342-L345 PolarHBondContact O-N 2.92Å; L345-S347 VanDerWaalsContact C-N 3.25Å; L345-S347 PolarHBondContact O-N 2.98Å; L345-Q348 PolarHBondContact O-N 2.99Å |
| 346 | K | 60.7 | Low | 60.3 | Low | 160 Ų | 160 | 129.9 Ų | 129.9 | 70% | 0.696 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.5 | -17.5 | 174.8 | -82.5 | 175.7 | 172.7 | 166.1 | 0 | 113.8 | E342 | E342-K346 HydrophobicContact CG-CD 4.35Å; E342-K346 WeakPolarHBondContact O-CB 3.36Å; E342-K346 PolarHBondContact O-N 2.67Å; E342-K346 WeakPolarHBondContact OE1-CE 3.48Å; E342-K346 IonicContact OE1-NZ 3.24Å; E342-K346 PolarHBondContact OE1-NZ 3.49Å |
| 347 | S | 55.1 | Low | 58.8 | Low | 86 Ų | 86 | 128.8 Ų | 128.8 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 3.5 | 176.4 | 46.1 | 0 | 0 | 0 | 0 | 114 | T343 L344 L345 P349 | T343-S347 WeakPolarHBondContact O-CB 3.34Å; T343-S347 PolarHBondContact O-N 3.24Å; T343-S347 PolarHBondContact O-OG 2.95Å; L344-S347 WeakPolarHBondContact CA-OG 3.32Å; L344-S347 PolarHBondContact O-OG 3.28Å; L345-S347 VanDerWaalsContact C-N 3.25Å; L345-S347 PolarHBondContact O-N 2.98Å; S347-P349 WeakPolarHBondContact O-CD 3.48Å |
| 348 | Q | 38.1 | Very low | 56.5 | Low | 144 Ų | 144 | 128.9 Ų | 128.9 | 67% | 0.673 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -88.4 | 116.4 | 175 | -161.9 | 168.6 | 16.2 | 0 | 0 | 110.3 | L345 T350 | L345-Q348 PolarHBondContact O-N 2.99Å; Q348-T350 PolarHBondContact O-N 2.85Å |
| 349 | P | 40.9 | Very low | 54.5 | Low | 109 Ų | 109 | 127.8 Ų | 127.8 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 128.1 | 178.2 | 26.6 | -30.2 | 0 | 0 | 0 | 110.4 | S347 N351 | S347-P349 WeakPolarHBondContact O-CD 3.48Å; P349-N351 PolarHBondContact O-N 3.33Å |
| 350 | T | 47.3 | Very low | 52.7 | Low | 138 Ų | 138 | 125.3 Ų | 125.3 | 85% | 0.847 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 119.9 | 166.9 | 33.5 | 0 | 0 | 0 | 0 | 110.6 | Q348 | Q348-T350 PolarHBondContact O-N 2.85Š|
| 351 | N | 32.9 | Very low | 51.1 | Low | 141 Ų | 141 | 128.4 Ų | 128.4 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | -137.9 | 112.6 | 159.4 | -91.7 | -26.7 | 0 | 0 | 0 | 110 | P349 | P349-N351 PolarHBondContact O-N 3.33Š| ||
| 352 | T | 39.6 | Very low | 49.9 | Very low | 120 Ų | 120 | 126 Ų | 126 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | trans | 27.5 | 136.8 | 133.5 | 43.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 353 | I | 36.5 | Very low | 49 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | -171.7 | 131.4 | 106.1 | -86.3 | 151.4 | 0 | 0 | 0 | 110.1 | |||||
| 354 | Q | 45.7 | Very low | 49 | Very low | 188 Ų | 188 | 127.4 Ų | 127.4 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | -78.9 | 152.2 | 163.5 | -66.9 | 171 | -24.1 | 0 | 0 | 110.5 | ||||
| 355 | A | 37.8 | Very low | 49 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 74% | 0.744 | 73% | 0.727 | S | S | * | * | trans | -164.3 | 101.2 | 147.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 356 | E | 39.8 | Very low | 49.7 | Very low | 198 Ų | 198 | 130 Ų | 130 | 93% | 0.925 | 72% | 0.724 | S | S | * | * | 76.3 | 115.2 | 95.8 | -86.4 | -170.3 | 169.1 | 0 | 0 | 113.9 | |||||
| 357 | A | 56.2 | Low | 50.7 | Low | 88 Ų | 88 | 125.8 Ų | 125.8 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -78.2 | 134.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 358 | V | 39 | Very low | 52.1 | Low | 137 Ų | 137 | 125.7 Ų | 125.7 | 83% | 0.83 | 71% | 0.705 | S | S | * | * | trans | -144.2 | 101.2 | 154 | -179.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 359 | G | 41.9 | Very low | 54.5 | Low | 76 Ų | 76 | 121.9 Ų | 121.9 | 78% | 0.784 | 69% | 0.688 | S | S | * | * | trans | 19 | 126.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 360 | G | 44.8 | Very low | 56.7 | Low | 56 Ų | 56 | 120.7 Ų | 120.7 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | trans | 169.2 | 75.6 | 149 | 0 | 0 | 0 | 0 | 0 | 113.6 | D362 | G360-D362 PolarHBondContact O-N 3.32Š| ||
| 361 | Q | 50 | Low | 58.6 | Low | 206 Ų | 206 | 119.4 Ų | 119.4 | 96% | 0.963 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 32.8 | 6.5 | 158.6 | -76.2 | -176 | -27.6 | 0 | 0 | 122.8 | ||
| 362 | D | 52.7 | Low | 61.4 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | trans | -132.7 | -3.5 | -179.3 | -142.5 | 13.9 | 0 | 0 | 0 | 111.5 | G360 T364 Y365 Y366 | G360-D362 PolarHBondContact O-N 3.32Å; D362-T364 PolarHBondContact O-N 2.72Å; D362-Y365 PolarHBondContact O-N 3.28Å; D362-Y365 WeakPolarHBondContact OD1-CB 3.21Å; D362-Y366 PolarHBondContact O-N 2.82Å | ||
| 363 | E | 60.3 | Low | 63.9 | Low | 124 Ų | 124 | 117.9 Ų | 117.9 | 58% | 0.579 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -57 | -40.5 | 168.6 | -79.2 | -157.9 | 160.8 | 0 | 0 | 110.4 | Y365 Y366 T367 | E363-Y365 VanDerWaalsContact C-N 3.34Å; E363-Y365 PolarHBondContact O-N 3.08Å; E363-Y366 PolarHBondContact O-N 3.4Å; E363-T367 WeakPolarHBondContact O-CB 3.33Å; E363-T367 PolarHBondContact O-N 3.42Å; E363-T367 PolarHBondContact O-OG1 3.49Å |
| 364 | T | 68.1 | Low | 66.4 | Low | 93 Ų | 93 | 115.1 Ų | 115.1 | 57% | 0.571 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.5 | -42.6 | 179.6 | -33.3 | 0 | 0 | 0 | 0 | 111.2 | D362 T367 D368 | D362-T364 PolarHBondContact O-N 2.72Å; T364-T367 PolarHBondContact O-N 3.47Å; T364-D368 WeakPolarHBondContact O-CB 3.37Å; T364-D368 PolarHBondContact O-N 2.94Å |
| 365 | Y | 75.3 | Confident | 68.6 | Low | 154 Ų | 154 | 110.2 Ų | 110.2 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.6 | -43.7 | 177.3 | -179.4 | -102.9 | 0 | 0 | 0 | 112.6 | D362 E363 T367 D368 L369 | D362-Y365 PolarHBondContact O-N 3.28Å; D362-Y365 WeakPolarHBondContact OD1-CB 3.21Å; E363-Y365 VanDerWaalsContact C-N 3.34Å; E363-Y365 PolarHBondContact O-N 3.08Å; Y365-T367 VanDerWaalsContact C-N 3.34Å; Y365-D368 PolarHBondContact O-N 2.82Å; Y365-L369 VanDerWaalsContact O-CB 3.28Å; Y365-L369 WeakPolarHBondContact O-CB 3.42Å; Y365-L369 PolarHBondContact O-N 3.31Å |
| 366 | Y | 80.2 | Confident | 71.1 | Confident | 150 Ų | 150 | 109.4 Ų | 109.4 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.8 | -38.1 | 176.2 | -175.5 | -107.9 | 0 | 0 | 0 | 112.3 | D362 E363 L369 L370 | D362-Y366 PolarHBondContact O-N 2.82Å; E363-Y366 PolarHBondContact O-N 3.4Å; Y366-L369 PolarHBondContact O-N 3.46Å; Y366-L370 HydrophobicContact CD1-CD1 3.81Å; Y366-L370 HydrophobicContact CE1-CD1 3.37Å; Y366-L370 HydrophobicContact CE1-CG 4.32Å; Y366-L370 HydrophobicContact CE2-CD1 4.47Å; Y366-L370 WeakPolarHBondContact O-CB 3.44Å; Y366-L370 WeakPolarHBondContact O-CG 3.4Å; Y366-L370 PolarHBondContact O-N 3.01Å |
| 367 | T | 83.4 | Confident | 73.6 | Confident | 71 Ų | 71 | 103.3 Ų | 103.3 | 44% | 0.436 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69 | -42.1 | 176.6 | -45.5 | 0 | 0 | 0 | 0 | 110.8 | E363 T364 Y365 L370 Q371 | E363-T367 WeakPolarHBondContact O-CB 3.33Å; E363-T367 PolarHBondContact O-N 3.42Å; E363-T367 PolarHBondContact O-OG1 3.49Å; T364-T367 PolarHBondContact O-N 3.47Å; Y365-T367 VanDerWaalsContact C-N 3.34Å; T367-L370 PolarHBondContact O-N 3.01Å; T367-Q371 WeakPolarHBondContact O-CB 3.46Å; T367-Q371 PolarHBondContact O-N 2.91Å |
| 368 | D | 84.4 | Confident | 75.4 | Confident | 84 Ų | 84 | 102.3 Ų | 102.3 | 45% | 0.449 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.8 | -38.8 | 175.9 | -70.5 | -15.3 | 0 | 0 | 0 | 111.3 | T364 Y365 Q371 L372 | T364-D368 WeakPolarHBondContact O-CB 3.37Å; T364-D368 PolarHBondContact O-N 2.94Å; Y365-D368 PolarHBondContact O-N 2.82Å; D368-Q371 PolarHBondContact O-N 2.99Å; D368-L372 VanDerWaalsContact O-CB 3.28Å; D368-L372 WeakPolarHBondContact O-CB 3.37Å; D368-L372 PolarHBondContact O-N 2.85Å |
| 369 | L | 87.9 | Confident | 78 | Confident | 63 Ų | 63 | 101.2 Ų | 101.2 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 175.4 | -179.6 | 63.4 | 0 | 0 | 0 | 111.8 | Y365 Y366 L372 K373 | Y365-L369 VanDerWaalsContact O-CB 3.28Å; Y365-L369 WeakPolarHBondContact O-CB 3.42Å; Y365-L369 PolarHBondContact O-N 3.31Å; Y366-L369 PolarHBondContact O-N 3.46Å; L369-L372 PolarHBondContact O-N 3.26Å; L369-K373 WeakPolarHBondContact O-CB 3.46Å; L369-K373 WeakPolarHBondContact O-CG 3.28Å; L369-K373 PolarHBondContact O-N 2.61Å |
| 370 | L | 87 | Confident | 80.4 | Confident | 85 Ų | 85 | 103.2 Ų | 103.2 | 45% | 0.445 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 173.6 | -78.1 | 171.4 | 0 | 0 | 0 | 111.4 | Y366 T367 L372 K373 L374 | Y366-L370 HydrophobicContact CD1-CD1 3.81Å; Y366-L370 HydrophobicContact CE1-CD1 3.37Å; Y366-L370 HydrophobicContact CE1-CG 4.32Å; Y366-L370 HydrophobicContact CE2-CD1 4.47Å; Y366-L370 WeakPolarHBondContact O-CB 3.44Å; Y366-L370 WeakPolarHBondContact O-CG 3.4Å; Y366-L370 PolarHBondContact O-N 3.01Å; T367-L370 PolarHBondContact O-N 3.01Å; L370-L372 VanDerWaalsContact C-N 3.34Å; L370-L372 PolarHBondContact O-N 3.18Å; L370-K373 PolarHBondContact O-N 2.95Å; L370-L374 WeakPolarHBondContact O-CB 3.31Å; L370-L374 PolarHBondContact O-N 2.96Å |
| 371 | Q | 88 | Confident | 82.6 | Confident | 110 Ų | 110 | 103.4 Ų | 103.4 | 51% | 0.514 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 172.7 | -100 | -176.4 | -13.2 | 0 | 0 | 111.8 | T367 D368 L374 N375 | T367-Q371 WeakPolarHBondContact O-CB 3.46Å; T367-Q371 PolarHBondContact O-N 2.91Å; D368-Q371 PolarHBondContact O-N 2.99Å; Q371-L374 PolarHBondContact O-N 3Å; Q371-N375 VanDerWaalsContact O-CB 3.25Å; Q371-N375 WeakPolarHBondContact O-CB 3.36Å; Q371-N375 PolarHBondContact O-N 3.35Å; Q371-N375 PolarHBondContact O-ND2 3.2Å |
| 372 | L | 91 | Very high | 84.7 | Confident | 94 Ų | 94 | 99.2 Ų | 99.2 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 177.2 | -175.3 | 65.6 | 0 | 0 | 0 | 111.4 | D368 L369 L370 N375 N376 | D368-L372 VanDerWaalsContact O-CB 3.28Å; D368-L372 WeakPolarHBondContact O-CB 3.37Å; D368-L372 PolarHBondContact O-N 2.85Å; L369-L372 PolarHBondContact O-N 3.26Å; L370-L372 VanDerWaalsContact C-N 3.34Å; L370-L372 PolarHBondContact O-N 3.18Å; L372-N375 PolarHBondContact O-N 2.92Å; L372-N376 WeakPolarHBondContact O-CB 3.44Å; L372-N376 VanDerWaalsContact O-CG 3.26Å; L372-N376 PolarHBondContact O-N 3.32Å |
| 373 | K | 91.8 | Very high | 86.6 | Confident | 135 Ų | 135 | 102.5 Ų | 102.5 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 174 | -79.1 | -177.2 | 179.6 | 180 | 0 | 112.1 | L369 L370 N376 S377 | L369-K373 WeakPolarHBondContact O-CB 3.46Å; L369-K373 WeakPolarHBondContact O-CG 3.28Å; L369-K373 PolarHBondContact O-N 2.61Å; L370-K373 PolarHBondContact O-N 2.95Å; K373-N376 PolarHBondContact O-N 3.45Å; K373-S377 WeakPolarHBondContact O-CB 3.48Å; K373-S377 PolarHBondContact O-N 2.69Å |
| 374 | L | 90.1 | Very high | 88.2 | Confident | 109 Ų | 109 | 101.9 Ų | 101.9 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.6 | -47 | 175.8 | -174 | 66.5 | 0 | 0 | 0 | 110.7 | L370 Q371 N376 S377 V378 | L370-L374 WeakPolarHBondContact O-CB 3.31Å; L370-L374 PolarHBondContact O-N 2.96Å; Q371-L374 PolarHBondContact O-N 3Å; L374-N376 VanDerWaalsContact C-N 3.33Å; L374-N376 PolarHBondContact O-N 3.48Å; L374-S377 PolarHBondContact O-N 2.95Å; L374-V378 VanDerWaalsContact O-CG2 3.28Å; L374-V378 WeakPolarHBondContact O-CG2 3.43Å; L374-V378 PolarHBondContact O-N 2.91Å |
| 375 | N | 90.7 | Very high | 89.5 | Confident | 85 Ų | 85 | 99.2 Ų | 99.2 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 176.6 | -75.9 | -24.8 | 0 | 0 | 0 | 112.1 | Q371 L372 K379 | Q371-N375 VanDerWaalsContact O-CB 3.25Å; Q371-N375 WeakPolarHBondContact O-CB 3.36Å; Q371-N375 PolarHBondContact O-N 3.35Å; Q371-N375 PolarHBondContact O-ND2 3.2Å; L372-N375 PolarHBondContact O-N 2.92Å; N375-K379 WeakPolarHBondContact O-CB 3.47Å; N375-K379 VanDerWaalsContact O-CG 3.24Å; N375-K379 WeakPolarHBondContact O-CG 3.46Å; N375-K379 PolarHBondContact O-N 3.44Å |
| 376 | N | 91.2 | Very high | 90.4 | Very high | 74 Ų | 74 | 97.2 Ų | 97.2 | 40% | 0.396 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 174.3 | -76.1 | -13.3 | 0 | 0 | 0 | 111.4 | L372 K373 L374 V378 K379 E380 | L372-N376 WeakPolarHBondContact O-CB 3.44Å; L372-N376 VanDerWaalsContact O-CG 3.26Å; L372-N376 PolarHBondContact O-N 3.32Å; K373-N376 PolarHBondContact O-N 3.45Å; L374-N376 VanDerWaalsContact C-N 3.33Å; L374-N376 PolarHBondContact O-N 3.48Å; N376-V378 VanDerWaalsContact C-N 3.34Å; N376-V378 PolarHBondContact O-N 3.46Å; N376-K379 PolarHBondContact O-N 3.45Å; N376-E380 WeakPolarHBondContact O-CB 3.35Å; N376-E380 WeakPolarHBondContact O-CG 2.9Å; N376-E380 PolarHBondContact O-N 2.95Å |
| 377 | S | 92.6 | Very high | 91.1 | Very high | 70 Ų | 70 | 96.1 Ų | 96.1 | 49% | 0.49 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 175.8 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | K373 L374 E380 A381 | K373-S377 WeakPolarHBondContact O-CB 3.48Å; K373-S377 PolarHBondContact O-N 2.69Å; L374-S377 PolarHBondContact O-N 2.95Å; S377-E380 PolarHBondContact O-N 3.34Å; S377-A381 WeakPolarHBondContact O-CB 3.22Å; S377-A381 PolarHBondContact O-N 3.26Å |
| 378 | V | 93.5 | Very high | 91.5 | Very high | 66 Ų | 66 | 96.5 Ų | 96.5 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 174.1 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | L374 N376 E380 A381 E382 | L374-V378 VanDerWaalsContact O-CG2 3.28Å; L374-V378 WeakPolarHBondContact O-CG2 3.43Å; L374-V378 PolarHBondContact O-N 2.91Å; N376-V378 VanDerWaalsContact C-N 3.34Å; N376-V378 PolarHBondContact O-N 3.46Å; V378-E380 VanDerWaalsContact C-N 3.32Å; V378-E380 PolarHBondContact O-N 3.48Å; V378-A381 WeakPolarHBondContact O-CB 3.44Å; V378-A381 PolarHBondContact O-N 2.93Å; V378-E382 WeakPolarHBondContact O-CG 3.48Å; V378-E382 PolarHBondContact O-N 3.37Å |
| 379 | K | 93.9 | Very high | 91.8 | Very high | 114 Ų | 114 | 95.4 Ų | 95.4 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -38 | 176.2 | -74.1 | 172.8 | -177.6 | 179 | 0 | 112.8 | N375 N376 R383 | N375-K379 WeakPolarHBondContact O-CB 3.47Å; N375-K379 VanDerWaalsContact O-CG 3.24Å; N375-K379 WeakPolarHBondContact O-CG 3.46Å; N375-K379 PolarHBondContact O-N 3.44Å; N376-K379 PolarHBondContact O-N 3.45Å; K379-R383 WeakPolarHBondContact O-CB 2.8Å; K379-R383 VanDerWaalsContact O-CG 3.3Å; K379-R383 WeakPolarHBondContact O-CG 3.46Å; K379-R383 PolarHBondContact O-N 3Å |
| 380 | E | 92.5 | Very high | 92.1 | Very high | 118 Ų | 118 | 97.8 Ų | 97.8 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.7 | -40.1 | 174.4 | -76 | 176 | -177.8 | 0 | 0 | 111.5 | N376 S377 V378 R383 L384 | N376-E380 WeakPolarHBondContact O-CB 3.35Å; N376-E380 WeakPolarHBondContact O-CG 2.9Å; N376-E380 PolarHBondContact O-N 2.95Å; S377-E380 PolarHBondContact O-N 3.34Å; V378-E380 VanDerWaalsContact C-N 3.32Å; V378-E380 PolarHBondContact O-N 3.48Å; E380-R383 PolarHBondContact O-N 2.88Å; E380-L384 WeakPolarHBondContact O-CB 3.24Å; E380-L384 WeakPolarHBondContact O-CG 3.24Å; E380-L384 PolarHBondContact O-N 2.87Å |
| 381 | A | 90 | Very high | 92.4 | Very high | 61 Ų | 61 | 99.9 Ų | 99.9 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S377 V378 G385 | S377-A381 WeakPolarHBondContact O-CB 3.22Å; S377-A381 PolarHBondContact O-N 3.26Å; V378-A381 WeakPolarHBondContact O-CB 3.44Å; V378-A381 PolarHBondContact O-N 2.93Å; A381-G385 PolarHBondContact O-N 2.83Å |
| 382 | E | 93.1 | Very high | 92.7 | Very high | 117 Ų | 117 | 102.2 Ų | 102.2 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 172.8 | -73.3 | 172.7 | 171.7 | 0 | 0 | 111.1 | V378 L384 G385 D386 | V378-E382 WeakPolarHBondContact O-CG 3.48Å; V378-E382 PolarHBondContact O-N 3.37Å; E382-L384 PolarHBondContact O-N 3.48Å; E382-G385 CarbonylContact O-C 3.59Å; E382-G385 WeakPolarHBondContact O-CA 3.46Å; E382-G385 PolarHBondContact O-N 3.08Å; E382-G385 VanDerWaalsContact O-N 3.08Å; E382-D386 PolarHBondContact O-N 3.41Å |
| 383 | R | 94.6 | Very high | 92.7 | Very high | 175 Ų | 175 | 103.9 Ų | 103.9 | 66% | 0.66 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.5 | -45.7 | 176.8 | -76.2 | 177.1 | -179.4 | 169.8 | 0.2 | 113 | K379 E380 G385 D386 E387 | K379-R383 WeakPolarHBondContact O-CB 2.8Å; K379-R383 VanDerWaalsContact O-CG 3.3Å; K379-R383 WeakPolarHBondContact O-CG 3.46Å; K379-R383 PolarHBondContact O-N 3Å; E380-R383 PolarHBondContact O-N 2.88Å; R383-G385 VanDerWaalsContact C-N 3.27Å; R383-G385 PolarHBondContact O-N 2.97Å; R383-D386 PolarHBondContact O-N 3.04Å; R383-E387 WeakPolarHBondContact O-CB 3.38Å; R383-E387 PolarHBondContact O-N 3.45Å |
| 384 | L | 93.9 | Very high | 92.8 | Very high | 112 Ų | 112 | 103.4 Ų | 103.4 | 59% | 0.586 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66 | -32.6 | 175.9 | -72 | 171.9 | 0 | 0 | 0 | 111.5 | E380 E382 L388 | E380-L384 WeakPolarHBondContact O-CB 3.24Å; E380-L384 WeakPolarHBondContact O-CG 3.24Å; E380-L384 PolarHBondContact O-N 2.87Å; E382-L384 PolarHBondContact O-N 3.48Å; L384-L388 VanDerWaalsContact O-CB 3.27Å; L384-L388 WeakPolarHBondContact O-CB 3.45Å; L384-L388 PolarHBondContact O-N 2.92Å |
| 385 | G | 94.3 | Very high | 92.7 | Very high | 37 Ų | 37 | 101.2 Ų | 101.2 | 38% | 0.381 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A381 E382 R383 L388 S389 | A381-G385 PolarHBondContact O-N 2.83Å; E382-G385 CarbonylContact O-C 3.59Å; E382-G385 WeakPolarHBondContact O-CA 3.46Å; E382-G385 PolarHBondContact O-N 3.08Å; E382-G385 VanDerWaalsContact O-N 3.08Å; R383-G385 VanDerWaalsContact C-N 3.27Å; R383-G385 PolarHBondContact O-N 2.97Å; G385-L388 PolarHBondContact O-N 2.68Å; G385-S389 WeakPolarHBondContact O-CB 3.34Å; G385-S389 PolarHBondContact O-N 3Å |
| 386 | D | 94.4 | Very high | 92.8 | Very high | 112 Ų | 112 | 103 Ų | 103 | 60% | 0.599 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 175.9 | -70.3 | -21.6 | 0 | 0 | 0 | 111.1 | E382 R383 S389 L390 | E382-D386 PolarHBondContact O-N 3.41Å; R383-D386 PolarHBondContact O-N 3.04Å; D386-S389 PolarHBondContact O-N 3.49Å; D386-S389 PolarHBondContact O-OG 3.16Å; D386-L390 PolarHBondContact O-N 3.28Å |
| 387 | E | 94.5 | Very high | 92.7 | Very high | 127 Ų | 127 | 102.5 Ų | 102.5 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 177.8 | -171.7 | 167.8 | -160 | 0 | 0 | 112.2 | R383 S389 L390 Q391 | R383-E387 WeakPolarHBondContact O-CB 3.38Å; R383-E387 PolarHBondContact O-N 3.45Å; E387-S389 VanDerWaalsContact C-N 3.33Å; E387-S389 PolarHBondContact O-N 2.83Å; E387-L390 PolarHBondContact O-N 3.06Å; E387-Q391 WeakPolarHBondContact O-CB 3.3Å; E387-Q391 PolarHBondContact O-N 2.86Å |
| 388 | L | 92.4 | Very high | 92.6 | Very high | 79 Ų | 79 | 104.2 Ų | 104.2 | 41% | 0.414 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 174.5 | -177.3 | 66.1 | 0 | 0 | 0 | 111.7 | L384 G385 Q391 R392 | L384-L388 VanDerWaalsContact O-CB 3.27Å; L384-L388 WeakPolarHBondContact O-CB 3.45Å; L384-L388 PolarHBondContact O-N 2.92Å; G385-L388 PolarHBondContact O-N 2.68Å; L388-Q391 PolarHBondContact O-N 3.26Å; L388-R392 VanDerWaalsContact O-CG 3.31Å; L388-R392 WeakPolarHBondContact O-CG 3.46Å; L388-R392 PolarHBondContact O-N 3.36Å |
| 389 | S | 90.6 | Very high | 92.4 | Very high | 61 Ų | 61 | 104.7 Ų | 104.7 | 43% | 0.427 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 177 | 83.7 | 0 | 0 | 0 | 0 | 111.6 | G385 D386 E387 R392 M393 | G385-S389 WeakPolarHBondContact O-CB 3.34Å; G385-S389 PolarHBondContact O-N 3Å; D386-S389 PolarHBondContact O-N 3.49Å; D386-S389 PolarHBondContact O-OG 3.16Å; E387-S389 VanDerWaalsContact C-N 3.33Å; E387-S389 PolarHBondContact O-N 2.83Å; S389-R392 PolarHBondContact O-N 2.79Å; S389-M393 PolarHBondContact O-N 2.91Å |
| 390 | L | 94 | Very high | 92.2 | Very high | 112 Ų | 112 | 105 Ų | 105 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 175.5 | -178.4 | 65.3 | 0 | 0 | 0 | 110.8 | D386 E387 R392 M393 K394 | D386-L390 PolarHBondContact O-N 3.28Å; E387-L390 PolarHBondContact O-N 3.06Å; L390-R392 PolarHBondContact O-N 3Å; L390-M393 PolarHBondContact O-N 3.2Å; L390-K394 WeakPolarHBondContact O-CB 3.37Å; L390-K394 PolarHBondContact O-N 3.29Å |
| 391 | Q | 94.2 | Very high | 92.3 | Very high | 130 Ų | 130 | 107.9 Ų | 107.9 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 177.8 | -166.9 | 176.2 | 6.5 | 0 | 0 | 112 | E387 L388 K394 S395 | E387-Q391 WeakPolarHBondContact O-CB 3.3Å; E387-Q391 PolarHBondContact O-N 2.86Å; L388-Q391 PolarHBondContact O-N 3.26Å; Q391-K394 PolarHBondContact O-N 3.38Å; Q391-S395 PolarHBondContact O-N 3.13Å |
| 392 | R | 94.1 | Very high | 92.1 | Very high | 159 Ų | 159 | 107.4 Ų | 107.4 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 173.5 | -75.5 | 173.8 | 177.6 | 175.3 | 1.2 | 112.3 | L388 S389 L390 K394 S395 L396 | L388-R392 VanDerWaalsContact O-CG 3.31Å; L388-R392 WeakPolarHBondContact O-CG 3.46Å; L388-R392 PolarHBondContact O-N 3.36Å; S389-R392 PolarHBondContact O-N 2.79Å; L390-R392 PolarHBondContact O-N 3Å; R392-K394 VanDerWaalsContact C-N 3.33Å; R392-S395 PolarHBondContact O-N 3.01Å; R392-S395 PolarHBondContact O-OG 3.48Å; R392-S395 VanDerWaalsContact O-OG 3.11Å; R392-L396 WeakPolarHBondContact O-CB 3.32Å; R392-L396 VanDerWaalsContact O-CG 3.31Å; R392-L396 WeakPolarHBondContact O-CG 3.45Å; R392-L396 PolarHBondContact O-N 2.87Å |
| 393 | M | 90.5 | Very high | 91.8 | Very high | 128 Ų | 128 | 105.4 Ų | 105.4 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 176.8 | -170.6 | -170.9 | -59.5 | 0 | 0 | 110.8 | S389 L390 L396 S397 | S389-M393 PolarHBondContact O-N 2.91Å; L390-M393 PolarHBondContact O-N 3.2Å; M393-L396 PolarHBondContact O-N 3.39Å; M393-S397 PolarHBondContact O-N 3.11Å |
| 394 | K | 94.4 | Very high | 91.6 | Very high | 125 Ų | 125 | 101 Ų | 101 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | 177.2 | -170.6 | 178 | 177.9 | -176.8 | 0 | 111.6 | L390 Q391 R392 L396 S397 E398 | L390-K394 WeakPolarHBondContact O-CB 3.37Å; L390-K394 PolarHBondContact O-N 3.29Å; Q391-K394 PolarHBondContact O-N 3.38Å; R392-K394 VanDerWaalsContact C-N 3.33Å; K394-L396 VanDerWaalsContact C-N 3.31Å; K394-L396 PolarHBondContact O-N 3.47Å; K394-S397 PolarHBondContact O-N 2.93Å; K394-S397 VanDerWaalsContact O-N 3.15Å; K394-S397 PolarHBondContact O-OG 3.32Å; K394-E398 WeakPolarHBondContact CE-OE1 3.45Å; K394-E398 WeakPolarHBondContact O-CG 3.45Å; K394-E398 PolarHBondContact O-N 3.19Å |
| 395 | S | 87.3 | Confident | 91.3 | Very high | 63 Ų | 63 | 100.6 Ų | 100.6 | 44% | 0.441 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 179.6 | 74.3 | 0 | 0 | 0 | 0 | 112.6 | Q391 R392 E398 S399 | Q391-S395 PolarHBondContact O-N 3.13Å; R392-S395 PolarHBondContact O-N 3.01Å; R392-S395 PolarHBondContact O-OG 3.48Å; R392-S395 VanDerWaalsContact O-OG 3.11Å; S395-E398 PolarHBondContact O-N 3.34Å; S395-S399 WeakPolarHBondContact O-CB 3.43Å; S395-S399 PolarHBondContact O-N 3.35Å |
| 396 | L | 92.3 | Very high | 90.8 | Very high | 122 Ų | 122 | 103.1 Ų | 103.1 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -44.3 | 173.8 | -77 | 170.2 | 0 | 0 | 0 | 111.4 | R392 M393 K394 E398 S399 Q400 | R392-L396 WeakPolarHBondContact O-CB 3.32Å; R392-L396 VanDerWaalsContact O-CG 3.31Å; R392-L396 WeakPolarHBondContact O-CG 3.45Å; R392-L396 PolarHBondContact O-N 2.87Å; M393-L396 PolarHBondContact O-N 3.39Å; K394-L396 VanDerWaalsContact C-N 3.31Å; K394-L396 PolarHBondContact O-N 3.47Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-E398 PolarHBondContact O-N 3.03Å; L396-S399 PolarHBondContact O-N 2.84Å; L396-Q400 WeakPolarHBondContact O-CB 3.38Å; L396-Q400 PolarHBondContact O-N 3.5Å |
| 397 | S | 88.7 | Confident | 90.6 | Very high | 65 Ų | 65 | 105.8 Ų | 105.8 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 177.4 | 78.5 | 0 | 0 | 0 | 0 | 112.4 | M393 K394 R401 | M393-S397 PolarHBondContact O-N 3.11Å; K394-S397 PolarHBondContact O-N 2.93Å; K394-S397 VanDerWaalsContact O-N 3.15Å; K394-S397 PolarHBondContact O-OG 3.32Å; S397-R401 WeakPolarHBondContact O-CB 3.34Å; S397-R401 PolarHBondContact O-N 3.11Å |
| 398 | E | 91.5 | Very high | 90.4 | Very high | 105 Ų | 105 | 104.9 Ų | 104.9 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 177.3 | -72.6 | 172.3 | 179.1 | 0 | 0 | 111.3 | K394 S395 L396 R401 A402 | K394-E398 WeakPolarHBondContact CE-OE1 3.45Å; K394-E398 WeakPolarHBondContact O-CG 3.45Å; K394-E398 PolarHBondContact O-N 3.19Å; S395-E398 PolarHBondContact O-N 3.34Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-E398 PolarHBondContact O-N 3.03Å; E398-R401 PolarHBondContact O-N 3.49Å; E398-A402 WeakPolarHBondContact O-CB 3.21Å; E398-A402 PolarHBondContact O-N 2.92Å |
| 399 | S | 88.3 | Confident | 90.1 | Very high | 77 Ų | 77 | 105.7 Ų | 105.7 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 112 | S395 L396 A402 L403 | S395-S399 WeakPolarHBondContact O-CB 3.43Å; S395-S399 PolarHBondContact O-N 3.35Å; L396-S399 PolarHBondContact O-N 2.84Å; S399-A402 PolarHBondContact O-N 3.34Å; S399-L403 WeakPolarHBondContact O-CB 3.45Å; S399-L403 PolarHBondContact O-N 2.85Å |
| 400 | Q | 91.2 | Very high | 89.8 | Confident | 121 Ų | 121 | 106.5 Ų | 106.5 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 175.4 | -176.3 | 174.6 | -15.3 | 0 | 0 | 111.5 | L396 A402 L403 E404 | L396-Q400 WeakPolarHBondContact O-CB 3.38Å; L396-Q400 PolarHBondContact O-N 3.5Å; Q400-A402 VanDerWaalsContact C-N 3.34Å; Q400-A402 PolarHBondContact O-N 3.04Å; Q400-L403 PolarHBondContact O-N 2.94Å; Q400-E404 PolarHBondContact NE2-OE1 3.21Å; Q400-E404 WeakPolarHBondContact O-CG 3.48Å; Q400-E404 PolarHBondContact O-N 3.22Å |
| 401 | R | 94.3 | Very high | 89.3 | Confident | 178 Ų | 178 | 104.9 Ų | 104.9 | 67% | 0.672 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.1 | -41.6 | 176 | -169.2 | -178.9 | -157.7 | 159.4 | 5.8 | 112.1 | S397 E398 E404 L405 | S397-R401 WeakPolarHBondContact O-CB 3.34Å; S397-R401 PolarHBondContact O-N 3.11Å; E398-R401 PolarHBondContact O-N 3.49Å; R401-E404 PolarHBondContact O-N 3.28Å; R401-L405 WeakPolarHBondContact O-CG 3.4Å; R401-L405 PolarHBondContact O-N 2.91Å |
| 402 | A | 86.1 | Confident | 88.6 | Confident | 51 Ų | 51 | 101.5 Ų | 101.5 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | E398 S399 Q400 E404 L405 E406 | E398-A402 WeakPolarHBondContact O-CB 3.21Å; E398-A402 PolarHBondContact O-N 2.92Å; S399-A402 PolarHBondContact O-N 3.34Å; Q400-A402 VanDerWaalsContact C-N 3.34Å; Q400-A402 PolarHBondContact O-N 3.04Å; A402-E404 VanDerWaalsContact C-N 3.34Å; A402-E404 PolarHBondContact O-N 3.5Å; A402-L405 PolarHBondContact O-N 2.98Å; A402-E406 WeakPolarHBondContact O-CG 3.42Å; A402-E406 PolarHBondContact O-N 3.36Å |
| 403 | L | 86.8 | Confident | 88.1 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 178.7 | -167.9 | 148.7 | 0 | 0 | 0 | 112.4 | S399 Q400 E406 R407 | S399-L403 WeakPolarHBondContact O-CB 3.45Å; S399-L403 PolarHBondContact O-N 2.85Å; Q400-L403 PolarHBondContact O-N 2.94Å; L403-E406 PolarHBondContact O-N 3Å; L403-R407 HydrophobicContact CD2-CG 4.37Å; L403-R407 WeakPolarHBondContact O-CG 3.44Å; L403-R407 PolarHBondContact O-N 2.76Å |
| 404 | E | 90.4 | Very high | 87.7 | Confident | 83 Ų | 83 | 100.1 Ų | 100.1 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 172.8 | -74.1 | 173.4 | -165.2 | 0 | 0 | 112.5 | Q400 R401 A402 R407 K408 | Q400-E404 PolarHBondContact NE2-OE1 3.21Å; Q400-E404 WeakPolarHBondContact O-CG 3.48Å; Q400-E404 PolarHBondContact O-N 3.22Å; R401-E404 PolarHBondContact O-N 3.28Å; A402-E404 VanDerWaalsContact C-N 3.34Å; A402-E404 PolarHBondContact O-N 3.5Å; E404-R407 PolarHBondContact O-N 2.95Å; E404-K408 WeakPolarHBondContact O-CG 3.48Å; E404-K408 PolarHBondContact O-N 3.45Å |
| 405 | L | 87.8 | Confident | 87.3 | Confident | 102 Ų | 102 | 99.9 Ų | 99.9 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 174.7 | -72 | 173.6 | 0 | 0 | 0 | 111.7 | R401 A402 R407 K408 L409 | R401-L405 WeakPolarHBondContact O-CG 3.4Å; R401-L405 PolarHBondContact O-N 2.91Å; A402-L405 PolarHBondContact O-N 2.98Å; L405-R407 PolarHBondContact O-N 3.37Å; L405-K408 PolarHBondContact O-N 2.73Å; L405-L409 WeakPolarHBondContact O-CB 3.37Å; L405-L409 PolarHBondContact O-N 3.36Å |
| 406 | E | 83.7 | Confident | 87.2 | Confident | 90 Ų | 90 | 101.7 Ų | 101.7 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.5 | -72.9 | -170.1 | 146 | 0 | 0 | 112.1 | R316 A402 L403 K408 L409 F410 | R316-E406 IonicContact NH1-OE1 3.96Å; R316-E406 PolarHBondContact NH1-OE1 3.23Å; A402-E406 WeakPolarHBondContact O-CG 3.42Å; A402-E406 PolarHBondContact O-N 3.36Å; L403-E406 PolarHBondContact O-N 3Å; E406-K408 VanDerWaalsContact C-N 3.33Å; E406-K408 PolarHBondContact O-N 3.31Å; E406-L409 PolarHBondContact O-N 2.71Å; E406-F410 WeakPolarHBondContact O-CB 3.4Å; E406-F410 PolarHBondContact O-N 3.47Å |
| 407 | R | 88.7 | Confident | 86.8 | Confident | 168 Ų | 168 | 100.2 Ų | 100.2 | 63% | 0.634 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.5 | -43.3 | 174.5 | -74.1 | 174.9 | 177.8 | 172.6 | 2.8 | 111.6 | L403 E404 L405 F410 T411 | L403-R407 HydrophobicContact CD2-CG 4.37Å; L403-R407 WeakPolarHBondContact O-CG 3.44Å; L403-R407 PolarHBondContact O-N 2.76Å; E404-R407 PolarHBondContact O-N 2.95Å; L405-R407 PolarHBondContact O-N 3.37Å; R407-F410 PolarHBondContact O-N 2.85Å; R407-T411 WeakPolarHBondContact O-CG2 3.4Å; R407-T411 PolarHBondContact O-N 2.89Å; R407-T411 PolarHBondContact O-OG1 3.46Å |
| 408 | K | 92.1 | Very high | 86.6 | Confident | 109 Ų | 109 | 101.6 Ų | 101.6 | 47% | 0.474 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 176.7 | -73 | 175.5 | -179.1 | 177.3 | 0 | 112.2 | E404 L405 E406 T411 S412 | E404-K408 WeakPolarHBondContact O-CG 3.48Å; E404-K408 PolarHBondContact O-N 3.45Å; L405-K408 PolarHBondContact O-N 2.73Å; E406-K408 VanDerWaalsContact C-N 3.33Å; E406-K408 PolarHBondContact O-N 3.31Å; K408-T411 WeakPolarHBondContact CA-OG1 3.49Å; K408-T411 PolarHBondContact O-N 2.89Å; K408-T411 PolarHBondContact O-OG1 2.84Å; K408-S412 WeakPolarHBondContact O-CB 3.14Å; K408-S412 PolarHBondContact O-N 3.06Å; K408-S412 PolarHBondContact O-OG 2.93Å |
| 409 | L | 84.6 | Confident | 86.1 | Confident | 95 Ų | 95 | 99.4 Ų | 99.4 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 175.6 | -177.3 | 66.1 | 0 | 0 | 0 | 110 | L405 E406 T411 S412 E413 | L405-L409 WeakPolarHBondContact O-CB 3.37Å; L405-L409 PolarHBondContact O-N 3.36Å; E406-L409 PolarHBondContact O-N 2.71Å; L409-T411 PolarHBondContact O-N 2.87Å; L409-S412 WeakPolarHBondContact CA-OG 3.13Å; L409-S412 PolarHBondContact O-N 3.4Å; L409-S412 VanDerWaalsContact O-N 3.14Å; L409-S412 PolarHBondContact O-OG 3.43Å; L409-E413 HydrophobicContact CD1-CG 4.47Å; L409-E413 HydrophobicContact CG-CG 4.49Å; L409-E413 WeakPolarHBondContact O-CG 3.48Å; L409-E413 PolarHBondContact O-N 3.2Å |
| 410 | F | 84 | Confident | 85.9 | Confident | 79 Ų | 79 | 100 Ų | 100 | 35% | 0.346 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 178.7 | 179.2 | -102.5 | 0 | 0 | 0 | 113.1 | E406 R407 S412 E413 R414 | E406-F410 WeakPolarHBondContact O-CB 3.4Å; E406-F410 PolarHBondContact O-N 3.47Å; R407-F410 PolarHBondContact O-N 2.85Å; F410-S412 VanDerWaalsContact C-N 3.33Å; F410-S412 PolarHBondContact O-N 3.39Å; F410-E413 PolarHBondContact O-N 2.88Å; F410-R414 WeakPolarHBondContact O-CB 3.06Å; F410-R414 PolarHBondContact O-N 3.43Å |
| 411 | T | 84.6 | Confident | 85.5 | Confident | 77 Ų | 77 | 95.2 Ų | 95.2 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 176 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | R407 K408 L409 R414 L415 | R407-T411 WeakPolarHBondContact O-CG2 3.4Å; R407-T411 PolarHBondContact O-N 2.89Å; R407-T411 PolarHBondContact O-OG1 3.46Å; K408-T411 WeakPolarHBondContact CA-OG1 3.49Å; K408-T411 PolarHBondContact O-N 2.89Å; K408-T411 PolarHBondContact O-OG1 2.84Å; L409-T411 PolarHBondContact O-N 2.87Å; T411-R414 PolarHBondContact O-N 3.46Å; T411-L415 VanDerWaalsContact O-CG 3.31Å; T411-L415 WeakPolarHBondContact O-CG 3.49Å; T411-L415 PolarHBondContact O-N 2.95Å |
| 412 | S | 79.9 | Confident | 85.1 | Confident | 60 Ų | 60 | 89.4 Ų | 89.4 | 42% | 0.42 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 176.5 | 75.8 | 0 | 0 | 0 | 0 | 112.9 | K408 L409 F410 R414 L415 L416 | K408-S412 WeakPolarHBondContact O-CB 3.14Å; K408-S412 PolarHBondContact O-N 3.06Å; K408-S412 PolarHBondContact O-OG 2.93Å; L409-S412 WeakPolarHBondContact CA-OG 3.13Å; L409-S412 PolarHBondContact O-N 3.4Å; L409-S412 VanDerWaalsContact O-N 3.14Å; L409-S412 PolarHBondContact O-OG 3.43Å; F410-S412 VanDerWaalsContact C-N 3.33Å; F410-S412 PolarHBondContact O-N 3.39Å; S412-R414 PolarHBondContact O-N 3.47Å; S412-L415 PolarHBondContact O-N 3.33Å; S412-L416 WeakPolarHBondContact O-CB 3.4Å; S412-L416 PolarHBondContact O-N 3.33Å |
| 413 | E | 82.8 | Confident | 85.2 | Confident | 80 Ų | 80 | 93.1 Ų | 93.1 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 176.4 | -75.5 | -178.8 | 168.1 | 0 | 0 | 111.7 | L409 F410 L416 K417 | L409-E413 HydrophobicContact CD1-CG 4.47Å; L409-E413 HydrophobicContact CG-CG 4.49Å; L409-E413 WeakPolarHBondContact O-CG 3.48Å; L409-E413 PolarHBondContact O-N 3.2Å; F410-E413 PolarHBondContact O-N 2.88Å; E413-L416 PolarHBondContact O-N 3.26Å; E413-K417 WeakPolarHBondContact O-CG 3.45Å; E413-K417 PolarHBondContact O-N 2.99Å |
| 414 | R | 82.3 | Confident | 85.1 | Confident | 178 Ų | 178 | 91.2 Ų | 91.2 | 67% | 0.672 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.1 | -44.4 | 174.5 | 179.7 | 179.1 | 160.7 | 175.7 | -5.4 | 111.5 | F410 T411 S412 L416 K417 Q418 | F410-R414 WeakPolarHBondContact O-CB 3.06Å; F410-R414 PolarHBondContact O-N 3.43Å; T411-R414 PolarHBondContact O-N 3.46Å; S412-R414 PolarHBondContact O-N 3.47Å; R414-L416 VanDerWaalsContact C-N 3.31Å; R414-L416 PolarHBondContact O-N 2.98Å; R414-K417 PolarHBondContact O-N 3.4Å; R414-Q418 WeakPolarHBondContact O-CB 3.19Å; R414-Q418 PolarHBondContact O-N 2.87Å |
| 415 | L | 86.6 | Confident | 84.9 | Confident | 120 Ų | 120 | 91.7 Ų | 91.7 | 63% | 0.628 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.1 | -38.7 | 175.5 | -73 | 173 | 0 | 0 | 0 | 111.5 | T411 S412 Q418 A419 | T411-L415 VanDerWaalsContact O-CG 3.31Å; T411-L415 WeakPolarHBondContact O-CG 3.49Å; T411-L415 PolarHBondContact O-N 2.95Å; S412-L415 PolarHBondContact O-N 3.33Å; L415-Q418 PolarHBondContact O-N 3.27Å; L415-A419 WeakPolarHBondContact O-CB 3.42Å; L415-A419 PolarHBondContact O-N 3Å |
| 416 | L | 85.4 | Confident | 84.9 | Confident | 100 Ų | 100 | 92.3 Ų | 92.3 | 52% | 0.524 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 174.8 | -180 | 64.7 | 0 | 0 | 0 | 111.7 | S412 E413 R414 Q418 A419 Q420 | S412-L416 WeakPolarHBondContact O-CB 3.4Å; S412-L416 PolarHBondContact O-N 3.33Å; E413-L416 PolarHBondContact O-N 3.26Å; R414-L416 VanDerWaalsContact C-N 3.31Å; R414-L416 PolarHBondContact O-N 2.98Å; L416-Q418 VanDerWaalsContact C-N 3.28Å; L416-Q418 PolarHBondContact O-N 2.96Å; L416-A419 PolarHBondContact O-N 2.87Å; L416-Q420 WeakPolarHBondContact O-CB 3.41Å; L416-Q420 VanDerWaalsContact O-CG 3.31Å; L416-Q420 WeakPolarHBondContact O-CG 3.35Å; L416-Q420 PolarHBondContact O-N 3.42Å |
| 417 | K | 83.2 | Confident | 85.1 | Confident | 91 Ų | 91 | 92.5 Ų | 92.5 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 175.6 | -74.1 | 176.6 | 178.7 | 174.5 | 0 | 111.2 | D310 E413 R414 Q420 S421 | D310-K417 IonicContact OD1-NZ 2.64Å; D310-K417 PolarHBondContact OD1-NZ 2.96Å; E413-K417 WeakPolarHBondContact O-CG 3.45Å; E413-K417 PolarHBondContact O-N 2.99Å; R414-K417 PolarHBondContact O-N 3.4Å; K417-Q420 PolarHBondContact O-N 2.99Å; K417-S421 PolarHBondContact O-N 3.32Å |
| 418 | Q | 83.5 | Confident | 84.9 | Confident | 95 Ų | 95 | 85.7 Ų | 85.7 | 44% | 0.444 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.4 | -49.7 | 175.5 | -177.6 | 59.9 | 40.6 | 0 | 0 | 111.8 | R414 L415 L416 Q420 S421 D422 | R414-Q418 WeakPolarHBondContact O-CB 3.19Å; R414-Q418 PolarHBondContact O-N 2.87Å; L415-Q418 PolarHBondContact O-N 3.27Å; L416-Q418 VanDerWaalsContact C-N 3.28Å; L416-Q418 PolarHBondContact O-N 2.96Å; Q418-Q420 VanDerWaalsContact C-N 3.3Å; Q418-Q420 PolarHBondContact O-N 3.46Å; Q418-S421 WeakPolarHBondContact O-CA 3.32Å; Q418-S421 WeakPolarHBondContact O-CB 3.43Å; Q418-S421 PolarHBondContact O-N 2.93Å; Q418-S421 PolarHBondContact O-OG 2.99Å; Q418-D422 PolarHBondContact NE2-OD1 3.15Å; Q418-D422 PolarHBondContact NE2-OD2 2.97Å; Q418-D422 PolarHBondContact O-N 3.28Å |
| 419 | A | 81.6 | Confident | 84.6 | Confident | 58 Ų | 58 | 86.3 Ų | 86.3 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L415 L416 D422 K423 | L415-A419 WeakPolarHBondContact O-CB 3.42Å; L415-A419 PolarHBondContact O-N 3Å; L416-A419 PolarHBondContact O-N 2.87Å; A419-D422 PolarHBondContact O-N 2.91Å; A419-K423 WeakPolarHBondContact O-CB 3.5Å; A419-K423 PolarHBondContact O-N 2.9Å |
| 420 | Q | 85.3 | Confident | 84.6 | Confident | 89 Ų | 89 | 85.2 Ų | 85.2 | 42% | 0.416 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 172 | -73.4 | 175.8 | -3.5 | 0 | 0 | 111.9 | L416 K417 Q418 D422 K423 I424 | L416-Q420 WeakPolarHBondContact O-CB 3.41Å; L416-Q420 VanDerWaalsContact O-CG 3.31Å; L416-Q420 WeakPolarHBondContact O-CG 3.35Å; L416-Q420 PolarHBondContact O-N 3.42Å; K417-Q420 PolarHBondContact O-N 2.99Å; Q418-Q420 VanDerWaalsContact C-N 3.3Å; Q418-Q420 PolarHBondContact O-N 3.46Å; Q420-D422 VanDerWaalsContact C-N 3.32Å; Q420-D422 PolarHBondContact O-N 3.48Å; Q420-K423 PolarHBondContact O-N 3.39Å; Q420-I424 WeakPolarHBondContact O-CG1 3.41Å; Q420-I424 PolarHBondContact O-N 3.31Å |
| 421 | S | 82.3 | Confident | 84.5 | Confident | 21 Ų | 21 | 83.7 Ų | 83.7 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.8 | 90.4 | 0 | 0 | 0 | 0 | 111.7 | K417 Q418 I424 K425 | K417-S421 PolarHBondContact O-N 3.32Å; Q418-S421 WeakPolarHBondContact O-CA 3.32Å; Q418-S421 WeakPolarHBondContact O-CB 3.43Å; Q418-S421 PolarHBondContact O-N 2.93Å; Q418-S421 PolarHBondContact O-OG 2.99Å; S421-I424 PolarHBondContact O-N 3.49Å; S421-K425 WeakPolarHBondContact O-CG 3.42Å; S421-K425 PolarHBondContact O-N 3.34Å |
| 422 | D | 85.7 | Confident | 84.4 | Confident | 56 Ų | 56 | 83.3 Ų | 83.3 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -74.2 | -34.4 | -178.2 | -65.7 | -29.2 | 0 | 0 | 0 | 111.6 | Q418 A419 Q420 I424 K425 L426 | Q418-D422 PolarHBondContact NE2-OD1 3.15Å; Q418-D422 PolarHBondContact NE2-OD2 2.97Å; Q418-D422 PolarHBondContact O-N 3.28Å; A419-D422 PolarHBondContact O-N 2.91Å; Q420-D422 VanDerWaalsContact C-N 3.32Å; Q420-D422 PolarHBondContact O-N 3.48Å; D422-I424 VanDerWaalsContact C-N 3.31Å; D422-I424 PolarHBondContact O-N 3.44Å; D422-K425 PolarHBondContact O-N 2.91Å; D422-K425 IonicContact OD1-NZ 3.2Å; D422-K425 PolarHBondContact OD1-NZ 2.77Å; D422-L426 WeakPolarHBondContact O-CB 3.31Å; D422-L426 WeakPolarHBondContact O-CG 3.33Å; D422-L426 PolarHBondContact O-N 3.43Å |
| 423 | K | 88.6 | Confident | 84.5 | Confident | 130 Ų | 130 | 83.6 Ų | 83.6 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -54.8 | -46.5 | 168.2 | 178 | -177.8 | 176.5 | -179.9 | 0 | 111.1 | A419 Q420 L426 Q427 | A419-K423 WeakPolarHBondContact O-CB 3.5Å; A419-K423 PolarHBondContact O-N 2.9Å; Q420-K423 PolarHBondContact O-N 3.39Å; K423-L426 PolarHBondContact O-N 3.47Å; K423-Q427 WeakPolarHBondContact O-CB 3.41Å; K423-Q427 VanDerWaalsContact O-CG 3.3Å; K423-Q427 WeakPolarHBondContact O-CG 3.37Å; K423-Q427 PolarHBondContact O-N 2.85Å |
| 424 | I | 83.6 | Confident | 84.4 | Confident | 35 Ų | 35 | 85.1 Ų | 85.1 | 18% | 0.179 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 179.6 | -67.2 | 169.5 | 0 | 0 | 0 | 111.1 | A299 M302 Q420 S421 D422 L426 Q427 L428 | A299-I424 HydrophobicContact CB-CG2 3.91Å; M302-I424 HydrophobicContact CE-CD1 3.39Å; M302-I424 HydrophobicContact SD-CD1 3.2Å; M302-I424 WeakPolarHBondContact SD-CD1 3.47Å; Q420-I424 WeakPolarHBondContact O-CG1 3.41Å; Q420-I424 PolarHBondContact O-N 3.31Å; S421-I424 PolarHBondContact O-N 3.49Å; D422-I424 VanDerWaalsContact C-N 3.31Å; D422-I424 PolarHBondContact O-N 3.44Å; I424-L426 VanDerWaalsContact C-N 3.35Å; I424-L426 PolarHBondContact O-N 2.85Å; I424-Q427 PolarHBondContact O-N 2.88Å; I424-L428 HydrophobicContact CG2-CD1 4.37Å; I424-L428 WeakPolarHBondContact O-CG 3.38Å; I424-L428 PolarHBondContact O-N 3.29Å |
| 425 | K | 86.1 | Confident | 83.8 | Confident | 93 Ų | 93 | 80.5 Ų | 80.5 | 40% | 0.404 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 174.5 | -68.7 | 173.2 | -160.2 | 153.5 | 0 | 112 | S421 D422 L428 R429 | S421-K425 WeakPolarHBondContact O-CG 3.42Å; S421-K425 PolarHBondContact O-N 3.34Å; D422-K425 PolarHBondContact O-N 2.91Å; D422-K425 IonicContact OD1-NZ 3.2Å; D422-K425 PolarHBondContact OD1-NZ 2.77Å; K425-L428 PolarHBondContact O-N 3.3Å; K425-R429 WeakPolarHBondContact O-CB 3.42Å; K425-R429 PolarHBondContact O-N 2.86Å |
| 426 | L | 88.5 | Confident | 83.2 | Confident | 115 Ų | 115 | 80.9 Ų | 80.9 | 60% | 0.602 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.7 | -41.2 | 176.5 | -75.3 | 170.6 | 0 | 0 | 0 | 111.3 | D422 K423 I424 L428 R429 V430 | D422-L426 WeakPolarHBondContact O-CB 3.31Å; D422-L426 WeakPolarHBondContact O-CG 3.33Å; D422-L426 PolarHBondContact O-N 3.43Å; K423-L426 PolarHBondContact O-N 3.47Å; I424-L426 VanDerWaalsContact C-N 3.35Å; I424-L426 PolarHBondContact O-N 2.85Å; L426-L428 PolarHBondContact O-N 3.28Å; L426-R429 CarbonylContact O-C 3.6Å; L426-R429 PolarHBondContact O-N 2.87Å; L426-R429 VanDerWaalsContact O-N 3.13Å; L426-V430 WeakPolarHBondContact O-CB 3.42Å; L426-V430 VanDerWaalsContact O-CG2 3.31Å; L426-V430 WeakPolarHBondContact O-CG2 3.34Å; L426-V430 PolarHBondContact O-N 3.33Å |
| 427 | Q | 88.1 | Confident | 82.3 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59 | -46.3 | 173.1 | -77 | 176.4 | -18.1 | 0 | 0 | 111.6 | K423 I424 R429 V430 E431 | K423-Q427 WeakPolarHBondContact O-CB 3.41Å; K423-Q427 VanDerWaalsContact O-CG 3.3Å; K423-Q427 WeakPolarHBondContact O-CG 3.37Å; K423-Q427 PolarHBondContact O-N 2.85Å; I424-Q427 PolarHBondContact O-N 2.88Å; Q427-R429 VanDerWaalsContact C-N 3.28Å; Q427-R429 PolarHBondContact O-N 3.38Å; Q427-V430 PolarHBondContact O-N 3.21Å; Q427-E431 WeakPolarHBondContact O-CB 3.31Å; Q427-E431 WeakPolarHBondContact O-CG 3.47Å; Q427-E431 PolarHBondContact O-N 2.89Å |
| 428 | L | 83.6 | Confident | 81.1 | Confident | 24 Ų | 24 | 85.2 Ų | 85.2 | 13% | 0.126 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 173.9 | -71 | 172.4 | 0 | 0 | 0 | 111.7 | K295 A299 I424 K425 L426 E431 E432 | K295-L428 HydrophobicContact CB-CD2 3.96Å; K295-L428 HydrophobicContact CD-CD2 4.34Å; A299-L428 HydrophobicContact CB-CD1 4.14Å; I424-L428 HydrophobicContact CG2-CD1 4.37Å; I424-L428 WeakPolarHBondContact O-CG 3.38Å; I424-L428 PolarHBondContact O-N 3.29Å; K425-L428 PolarHBondContact O-N 3.3Å; L426-L428 PolarHBondContact O-N 3.28Å; L428-E431 PolarHBondContact O-N 3.31Å; L428-E432 WeakPolarHBondContact O-CG 3.47Å; L428-E432 PolarHBondContact O-N 3.44Å |
| 429 | R | 86.4 | Confident | 79.3 | Confident | 123 Ų | 123 | 86 Ų | 86 | 46% | 0.464 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.4 | -39 | 178.8 | -171.1 | 54.9 | 172.9 | -167.3 | -7.4 | 112.8 | K425 L426 Q427 E431 E432 L433 | K425-R429 WeakPolarHBondContact O-CB 3.42Å; K425-R429 PolarHBondContact O-N 2.86Å; L426-R429 CarbonylContact O-C 3.6Å; L426-R429 PolarHBondContact O-N 2.87Å; L426-R429 VanDerWaalsContact O-N 3.13Å; Q427-R429 VanDerWaalsContact C-N 3.28Å; Q427-R429 PolarHBondContact O-N 3.38Å; R429-E431 VanDerWaalsContact C-N 3.33Å; R429-E432 WeakPolarHBondContact CD-OE2 3.25Å; R429-E432 IonicContact CZ-OE2 2.76Å; R429-E432 IonicContact NE-OE2 3.33Å; R429-E432 IonicContact NH1-OE2 3.54Å; R429-E432 PolarHBondContact NH1-OE2 3.11Å; R429-E432 PolarHBondContact O-N 2.93Å; R429-L433 HydrophobicContact CG-CD1 4.26Å; R429-L433 WeakPolarHBondContact O-CB 3.28Å; R429-L433 VanDerWaalsContact O-CG 3.23Å; R429-L433 WeakPolarHBondContact O-CG 3.48Å; R429-L433 PolarHBondContact O-N 3.09Å |
| 430 | V | 84.5 | Confident | 77.6 | Confident | 72 Ų | 72 | 92.1 Ų | 92.1 | 44% | 0.436 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 173 | 169.1 | 0 | 0 | 0 | 0 | 109.5 | L426 Q427 L433 Q434 | L426-V430 WeakPolarHBondContact O-CB 3.42Å; L426-V430 VanDerWaalsContact O-CG2 3.31Å; L426-V430 WeakPolarHBondContact O-CG2 3.34Å; L426-V430 PolarHBondContact O-N 3.33Å; Q427-V430 PolarHBondContact O-N 3.21Å; V430-L433 CarbonylContact O-C 3.59Å; V430-L433 PolarHBondContact O-N 3.28Å; V430-Q434 HydrophobicContact CG1-CG 4.27Å; V430-Q434 WeakPolarHBondContact O-CB 3.37Å; V430-Q434 VanDerWaalsContact O-CG 3.24Å; V430-Q434 WeakPolarHBondContact O-CG 3.38Å; V430-Q434 PolarHBondContact O-N 3.37Å |
| 431 | E | 82 | Confident | 75.8 | Confident | 47 Ų | 47 | 95.3 Ų | 95.3 | 22% | 0.22 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 175.7 | -72.3 | 174.9 | -155.3 | 0 | 0 | 112.3 | K295 Q427 L428 R429 Q434 Q435 | K295-E431 IonicContact NZ-OE1 2.96Å; K295-E431 PolarHBondContact NZ-OE1 2.92Å; K295-E431 IonicContact NZ-OE2 2.84Å; K295-E431 PolarHBondContact NZ-OE2 2.92Å; Q427-E431 WeakPolarHBondContact O-CB 3.31Å; Q427-E431 WeakPolarHBondContact O-CG 3.47Å; Q427-E431 PolarHBondContact O-N 2.89Å; L428-E431 PolarHBondContact O-N 3.31Å; R429-E431 VanDerWaalsContact C-N 3.33Å; E431-Q434 PolarHBondContact O-N 3.31Å; E431-Q435 WeakPolarHBondContact O-CB 3.28Å; E431-Q435 VanDerWaalsContact O-CG 3.26Å; E431-Q435 WeakPolarHBondContact O-CG 3.4Å; E431-Q435 PolarHBondContact O-N 2.84Å |
| 432 | E | 82.9 | Confident | 73.8 | Confident | 69 Ų | 69 | 100 Ų | 100 | 32% | 0.322 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 172.4 | -77.9 | 177.7 | -174.2 | 0 | 0 | 112.3 | L428 R429 Q435 K436 | L428-E432 WeakPolarHBondContact O-CG 3.47Å; L428-E432 PolarHBondContact O-N 3.44Å; R429-E432 WeakPolarHBondContact CD-OE2 3.25Å; R429-E432 IonicContact CZ-OE2 2.76Å; R429-E432 IonicContact NE-OE2 3.33Å; R429-E432 IonicContact NH1-OE2 3.54Å; R429-E432 PolarHBondContact NH1-OE2 3.11Å; R429-E432 PolarHBondContact O-N 2.93Å; E432-Q435 PolarHBondContact O-N 2.86Å; E432-K436 WeakPolarHBondContact O-CB 3.46Å; E432-K436 VanDerWaalsContact O-CG 3.23Å; E432-K436 WeakPolarHBondContact O-CG 3.29Å; E432-K436 PolarHBondContact O-N 3.32Å |
| 433 | L | 82.3 | Confident | 71.9 | Confident | 66 Ų | 66 | 106.1 Ų | 106.1 | 35% | 0.346 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69 | -44 | 175.9 | -70.5 | 169.8 | 0 | 0 | 0 | 110 | R429 V430 Q435 K436 Y437 | R429-L433 HydrophobicContact CG-CD1 4.26Å; R429-L433 WeakPolarHBondContact O-CB 3.28Å; R429-L433 VanDerWaalsContact O-CG 3.23Å; R429-L433 WeakPolarHBondContact O-CG 3.48Å; R429-L433 PolarHBondContact O-N 3.09Å; V430-L433 CarbonylContact O-C 3.59Å; V430-L433 PolarHBondContact O-N 3.28Å; L433-Q435 PolarHBondContact O-N 3.35Å; L433-K436 CarbonylContact O-C 3.59Å; L433-K436 WeakPolarHBondContact O-CA 3.28Å; L433-K436 PolarHBondContact O-N 2.87Å; L433-Y437 HydrophobicContact CB-CD2 4.22Å; L433-Y437 HydrophobicContact CD2-CD2 4.11Å; L433-Y437 HydrophobicContact CD2-CE2 3.67Å; L433-Y437 WeakPolarHBondContact O-CB 3.31Å; L433-Y437 WeakPolarHBondContact O-CD2 3.28Å; L433-Y437 PolarHBondContact O-N 2.88Å |
| 434 | Q | 79 | Confident | 69.5 | Low | 111 Ų | 111 | 111 Ų | 111 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.3 | -32.2 | 172.1 | -75.1 | 173.1 | -10.8 | 0 | 0 | 111.8 | V430 E431 E438 | V430-Q434 HydrophobicContact CG1-CG 4.27Å; V430-Q434 WeakPolarHBondContact O-CB 3.37Å; V430-Q434 VanDerWaalsContact O-CG 3.24Å; V430-Q434 WeakPolarHBondContact O-CG 3.38Å; V430-Q434 PolarHBondContact O-N 3.37Å; E431-Q434 PolarHBondContact O-N 3.31Å; Q434-E438 VanDerWaalsContact O-CA 3.25Å; Q434-E438 WeakPolarHBondContact O-CA 3.41Å; Q434-E438 WeakPolarHBondContact O-CB 3.38Å; Q434-E438 WeakPolarHBondContact O-CG 3.37Å; Q434-E438 PolarHBondContact O-N 2.8Å |
| 435 | Q | 69.9 | Low | 67.3 | Low | 81 Ų | 81 | 116 Ų | 116 | 38% | 0.379 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -74.6 | -31.6 | 172.1 | -74.5 | 174.1 | 22.5 | 0 | 0 | 113.4 | E431 E432 L433 | E431-Q435 WeakPolarHBondContact O-CB 3.28Å; E431-Q435 VanDerWaalsContact O-CG 3.26Å; E431-Q435 WeakPolarHBondContact O-CG 3.4Å; E431-Q435 PolarHBondContact O-N 2.84Å; E432-Q435 PolarHBondContact O-N 2.86Å; L433-Q435 PolarHBondContact O-N 3.35Å |
| 436 | K | 74.7 | Confident | 65.1 | Low | 128 Ų | 128 | 117.1 Ų | 117.1 | 56% | 0.557 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -78.3 | -30 | 177.6 | -73.1 | 167.8 | -176.3 | 172.9 | 0 | 112.7 | E432 L433 | E432-K436 WeakPolarHBondContact O-CB 3.46Å; E432-K436 VanDerWaalsContact O-CG 3.23Å; E432-K436 WeakPolarHBondContact O-CG 3.29Å; E432-K436 PolarHBondContact O-N 3.32Å; L433-K436 CarbonylContact O-C 3.59Å; L433-K436 WeakPolarHBondContact O-CA 3.28Å; L433-K436 PolarHBondContact O-N 2.87Å |
| 437 | Y | 66.3 | Low | 62.7 | Low | 178 Ų | 178 | 118.1 Ų | 118.1 | 70% | 0.698 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -118.7 | 1.8 | -173.5 | -64.5 | -78.8 | 0 | 0 | 0 | 113.6 | L433 P439 | L433-Y437 HydrophobicContact CB-CD2 4.22Å; L433-Y437 HydrophobicContact CD2-CD2 4.11Å; L433-Y437 HydrophobicContact CD2-CE2 3.67Å; L433-Y437 WeakPolarHBondContact O-CB 3.31Å; L433-Y437 WeakPolarHBondContact O-CD2 3.28Å; L433-Y437 PolarHBondContact O-N 2.88Å; Y437-P439 VanDerWaalsContact O-CD 3.31Å; Y437-P439 WeakPolarHBondContact O-CD 3.46Å |
| 438 | E | 58.9 | Low | 60.3 | Low | 104 Ų | 104 | 121.9 Ų | 121.9 | 49% | 0.486 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -47.8 | 120.7 | 153.5 | -106.5 | 169.6 | -154 | 0 | 0 | 103.3 | K288 Q434 K440 | K288-E438 IonicContact NZ-OE1 3.59Å; K288-E438 PolarHBondContact NZ-OE1 2.85Å; K288-E438 IonicContact NZ-OE2 3.66Å; K288-E438 PolarHBondContact NZ-OE2 3.46Å; Q434-E438 VanDerWaalsContact O-CA 3.25Å; Q434-E438 WeakPolarHBondContact O-CA 3.41Å; Q434-E438 WeakPolarHBondContact O-CB 3.38Å; Q434-E438 WeakPolarHBondContact O-CG 3.37Å; Q434-E438 PolarHBondContact O-N 2.8Å; E438-K440 PolarHBondContact O-N 3.37Å |
| 439 | P | 44.9 | Very low | 58.2 | Low | 112 Ų | 112 | 132.8 Ų | 132.8 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | trans | -56.1 | 101.9 | 170.2 | -15.1 | 27.2 | 0 | 0 | 0 | 103.5 | Y437 E441 | Y437-P439 VanDerWaalsContact O-CD 3.31Å; Y437-P439 WeakPolarHBondContact O-CD 3.46Å; P439-E441 PolarHBondContact O-N 3.05Å | ||
| 440 | K | 46 | Very low | 56.1 | Low | 186 Ų | 186 | 136.3 Ų | 136.3 | 81% | 0.809 | 65% | 0.645 | S | S | * | * | trans | -48.7 | 104.5 | 156.7 | -80.1 | 174.7 | 178.6 | 169.4 | 0 | 101 | E438 V442 | E438-K440 PolarHBondContact O-N 3.37Å; K440-V442 VanDerWaalsContact C-N 3.28Å; K440-V442 VanDerWaalsContact O-CA 3.26Å; K440-V442 WeakPolarHBondContact O-CA 3.26Å; K440-V442 PolarHBondContact O-N 3.14Å | ||
| 441 | E | 47.2 | Very low | 54.1 | Low | 157 Ų | 157 | 143.5 Ų | 143.5 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | trans | -35.6 | 108 | 176.5 | -73.8 | 176.5 | 164 | 0 | 0 | 103.9 | P439 K443 | P439-E441 PolarHBondContact O-N 3.05Å; E441-K443 PolarHBondContact O-N 3.49Å | ||
| 442 | V | 40.3 | Very low | 52 | Low | 120 Ų | 120 | 151.4 Ų | 151.4 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -60.5 | 101.9 | -167.5 | 172.7 | 0 | 0 | 0 | 0 | 101.7 | K440 R444 | K440-V442 VanDerWaalsContact C-N 3.28Å; K440-V442 VanDerWaalsContact O-CA 3.26Å; K440-V442 WeakPolarHBondContact O-CA 3.26Å; K440-V442 PolarHBondContact O-N 3.14Å; V442-R444 PolarHBondContact O-N 3.48Å | ||
| 443 | K | 45.7 | Very low | 49.9 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | trans | -54.1 | 97.7 | 162.3 | -72.5 | -178.2 | 179 | -178.5 | 0 | 100.3 | E441 I445 | E441-K443 PolarHBondContact O-N 3.49Å; K443-I445 PolarHBondContact O-N 3.18Å | ||
| 444 | R | 37.8 | Very low | 47.6 | Very low | 232 Ų | 232 | 161.5 Ų | 161.5 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | trans | -59.3 | 94.6 | 173.2 | -75.1 | -167.3 | 179.3 | -163.9 | 2.9 | 103 | V442 P446 | V442-R444 PolarHBondContact O-N 3.48Å; R444-P446 WeakPolarHBondContact O-CD 3.41Å | ||
| 445 | I | 37.5 | Very low | 45.8 | Very low | 141 Ų | 141 | 163.6 Ų | 163.6 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | trans | -70.4 | 111.3 | 167.7 | -65 | 168.5 | 0 | 0 | 0 | 102.9 | K443 V447 | K443-I445 PolarHBondContact O-N 3.18Å; I445-V447 PolarHBondContact O-N 3.32Å | ||
| 446 | P | 40.2 | Very low | 44.3 | Very low | 116 Ų | 116 | 164.9 Ų | 164.9 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | -73.6 | 107 | 177.1 | 29.1 | -27.6 | 0 | 0 | 0 | 107.3 | R444 Q448 | R444-P446 WeakPolarHBondContact O-CD 3.41Å; P446-Q448 PolarHBondContact O-N 2.94Å | ||
| 447 | V | 37.8 | Very low | 42.4 | Very low | 136 Ų | 136 | 163.6 Ų | 163.6 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -66.2 | 126 | 168.8 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | I445 R449 | I445-V447 PolarHBondContact O-N 3.32Å; V447-R449 PolarHBondContact O-N 3.45Å | ||
| 448 | Q | 39.3 | Very low | 41.1 | Very low | 174 Ų | 174 | 162.8 Ų | 162.8 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -60 | 125.2 | -175 | -61.5 | 177.1 | -7.4 | 0 | 0 | 112.6 | P446 | P446-Q448 PolarHBondContact O-N 2.94Š| ||
| 449 | R | 39.8 | Very low | 40.2 | Very low | 253 Ų | 253 | 162 Ų | 162 | 96% | 0.955 | 78% | 0.777 | S | S | * | * | trans | -114.3 | 134.1 | 144.9 | -77.9 | -170 | 173.2 | -177.9 | -0.5 | 108.5 | V447 | V447-R449 PolarHBondContact O-N 3.45Š| ||
| 450 | K | 40.5 | Very low | 40.1 | Very low | 196 Ų | 196 | 163.2 Ų | 163.2 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | -71.5 | 139.5 | -165.3 | -70.4 | 177.1 | 175.8 | 176.1 | 0 | 113 | ||||
| 451 | R | 44.4 | Very low | 39.5 | Very low | 224 Ų | 224 | 155.2 Ų | 155.2 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | trans | 56.2 | 102.7 | 152.4 | -81 | -176.6 | 166 | 175 | -4.5 | 118.1 | ||||
| 452 | K | 37.8 | Very low | 39.1 | Very low | 212 Ų | 212 | 154 Ų | 154 | 92% | 0.922 | 73% | 0.732 | S | S | * | * | -143.8 | 153.4 | 97.4 | -91.8 | 171.1 | -172.6 | -176.6 | 0 | 109.3 | |||||
| 453 | E | 37 | Very low | 39.1 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 73% | 0.729 | 72% | 0.715 | S | S | * | * | trans | -77.9 | 138.8 | -150.8 | -72.6 | -178.7 | 142.1 | 0 | 0 | 116.2 | ||||
| 454 | K | 35.8 | Very low | 38.7 | Very low | 191 Ų | 191 | 149.8 Ų | 149.8 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | 69.7 | 100.3 | 143.2 | -63.1 | 178.5 | -172.7 | -179.4 | 0 | 120.7 | ||||
| 455 | L | 39.9 | Very low | 38.3 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | trans | -57.4 | 163.7 | 158.9 | -82.2 | 167.3 | 0 | 0 | 0 | 114.1 | ||||
| 456 | P | 39.4 | Very low | 37.9 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | -143.9 | 137.8 | 53.4 | 32.4 | -8.9 | 0 | 0 | 0 | 121.7 | |||||
| 457 | V | 33.4 | Very low | 37.4 | Very low | 101 Ų | 101 | 140 Ų | 140 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | 50.9 | 95.6 | 129.4 | -168.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 458 | E | 40.8 | Very low | 37.1 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | 44.1 | 126.5 | 115.8 | -127.1 | -173.6 | 161.3 | 0 | 0 | 122.7 | |||||
| 459 | V | 39.2 | Very low | 36.5 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 53% | 0.527 | 70% | 0.702 | S | S | . | * | trans | 101.7 | 124.6 | 145.2 | -157.2 | 0 | 0 | 0 | 0 | 117.2 | L270 | L270-V459 HydrophobicContact CD2-CB 4.27Å; L270-V459 WeakPolarHBondContact CD2-O 3.24Å | ||
| 460 | K | 42.6 | Very low | 36 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 60% | 0.596 | 70% | 0.699 | S | S | * | * | trans | -37 | 149.1 | 158.1 | -72 | -172.5 | 168.1 | -158.6 | 0 | 112.8 | M266 E462 | M266-K460 VanDerWaalsContact CE-CA 3.47Å; M266-K460 HydrophobicContact CE-CB 3.52Å; M266-K460 HydrophobicContact CE-CD 4.34Å; M266-K460 HydrophobicContact CE-CG 3.62Å; K460-E462 IonicContact NZ-OE1 3.58Å; K460-E462 PolarHBondContact NZ-OE1 2.94Å | ||
| 461 | P | 34.3 | Very low | 35.4 | Very low | 19 Ų | 19 | 134.5 Ų | 134.5 | 12% | 0.123 | 70% | 0.703 | C | S | . | * | -133 | 127.2 | 101.1 | 37.3 | -37.8 | 0 | 0 | 0 | 114.9 | M266 Q269 L270 P463 | M266-P461 WeakPolarHBondContact CA-O 3.41Å; M266-P461 HydrophobicContact CB-CG 4.09Å; M266-P461 WeakPolarHBondContact CB-O 3.41Å; M266-P461 VanDerWaalsContact CE-O 3.23Å; M266-P461 WeakPolarHBondContact CE-O 3.45Å; M266-P461 WeakPolarHBondContact CG-O 3.24Å; M266-P461 WeakPolarHBondContact O-CD 3.36Å; M266-P461 WeakPolarHBondContact O-CG 3.26Å; Q269-P461 HydrophobicContact CB-CB 4.3Å; Q269-P461 HydrophobicContact CB-CG 3.43Å; Q269-P461 VanDerWaalsContact CB-CG 3.43Å; Q269-P461 PolarHBondContact OE1-O 3.29Å; L270-P461 HydrophobicContact CB-CG 4.01Å; P461-P463 WeakPolarHBondContact O-CD 3.47Å | |||
| 462 | E | 37.7 | Very low | 34.7 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 61% | 0.607 | 70% | 0.698 | S | S | * | * | trans | -60.5 | 130.5 | 165.6 | -68.8 | -167.2 | -152.6 | 0 | 0 | 109.7 | M266 K460 | M266-E462 HydrophobicContact CE-CB 4.41Å; M266-E462 HydrophobicContact CE-CG 3.76Å; M266-E462 WeakPolarHBondContact SD-CA 3.42Å; M266-E462 HydrophobicContact SD-CB 4.21Å; M266-E462 HydrophobicContact SD-CG 3.85Å; M266-E462 PolarHBondContact SD-N 3.03Å; K460-E462 IonicContact NZ-OE1 3.58Å; K460-E462 PolarHBondContact NZ-OE1 2.94Å | ||
| 463 | P | 40.9 | Very low | 34.2 | Very low | 56 Ų | 56 | 125.9 Ų | 125.9 | 36% | 0.364 | 69% | 0.692 | S | S | . | * | trans | -73.9 | 132.1 | 153.5 | -8 | 25 | 0 | 0 | 0 | 109.4 | P461 | P461-P463 WeakPolarHBondContact O-CD 3.47Š| ||
| 464 | D | 36.6 | Very low | 33.8 | Very low | 159 Ų | 159 | 122.4 Ų | 122.4 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | trans | -17.8 | 149.6 | 146.2 | -57.8 | -46.5 | 0 | 0 | 0 | 117 | ||||
| 465 | G | 29.8 | Very low | 33.5 | Very low | 66 Ų | 66 | 119.9 Ų | 119.9 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | trans | 176.6 | 95.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 466 | S | 29.5 | Very low | 33.1 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | trans | 86.3 | 138.6 | 139 | 86.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 467 | T | 29.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | cis | -165.5 | 149.7 | 45.6 | 17.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 468 | H | 31.3 | Very low | 32.3 | Very low | 189 Ų | 189 | 125.6 Ų | 125.6 | 88% | 0.875 | 71% | 0.707 | S | S | * | * | trans | 46.8 | 142.7 | 143.6 | -62.7 | -60.9 | 0 | 0 | 0 | 121.2 | ||||
| 469 | G | 26.8 | Very low | 31.8 | Very low | 66 Ų | 66 | 125.5 Ų | 125.5 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | cis | 176 | -177.9 | 9.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 470 | E | 28.9 | Very low | 31.3 | Very low | 189 Ų | 189 | 127 Ų | 127 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | trans | 73.6 | 104.8 | 168.2 | -66.7 | -177.1 | 150.8 | 0 | 0 | 119.2 | ||||
| 471 | Q | 28.4 | Very low | 30.5 | Very low | 200 Ų | 200 | 127.3 Ų | 127.3 | 94% | 0.935 | 72% | 0.724 | S | S | * | * | trans | -149.3 | 129.8 | 130.6 | -128.1 | 171.6 | 18.9 | 0 | 0 | 112.3 | ||||
| 472 | V | 29 | Very low | 30.2 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | trans | -99.9 | 151 | 174.7 | -166.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 473 | V | 27.7 | Very low | 29.9 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | 87.3 | 124.6 | 158.4 | -160.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 474 | A | 29.1 | Very low | 29.3 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | trans | -63 | 163.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 475 | V | 29 | Very low | 29.1 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | 175.3 | 137.2 | 110.1 | 156.3 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 476 | E | 31.3 | Very low | 28.9 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -60.4 | 152.7 | 176.1 | -59.3 | 164.2 | 152 | 0 | 0 | 113.1 | ||||
| 477 | T | 28.2 | Very low | 29 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | -176.6 | 154.6 | 122.8 | 19.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 478 | E | 28.6 | Very low | 29 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | trans | -85.5 | 168.9 | -166.2 | -61.5 | 179.6 | 139.6 | 0 | 0 | 115.3 | ||||
| 479 | E | 28.6 | Very low | 29 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | 67.1 | 126.3 | 136.3 | -80.9 | -179.5 | -178.2 | 0 | 0 | 123.4 | ||||
| 480 | T | 29.1 | Very low | 29 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | 38.8 | 128.4 | 141.8 | 55.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 481 | D | 26.6 | Very low | 29 | Very low | 144 Ų | 144 | 152.3 Ų | 152.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | -175.1 | 160.5 | 97.4 | -132.8 | -25.4 | 0 | 0 | 0 | 114.5 | |||||
| 482 | N | 27.4 | Very low | 29.1 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -56.5 | 145.6 | 173.8 | -64 | -79.4 | 0 | 0 | 0 | 114 | ||||
| 483 | M | 30.5 | Very low | 29.5 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | trans | -146.7 | 126.6 | 139.1 | -123.8 | -163.1 | 173.4 | 0 | 0 | 113.7 | ||||
| 484 | K | 29.8 | Very low | 29.4 | Very low | 202 Ų | 202 | 145.1 Ų | 145.1 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -106 | 118.6 | 177.3 | -174 | -173.2 | -171.3 | -174.2 | 0 | 106.3 | ||||
| 485 | V | 30.9 | Very low | 29.3 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -150.6 | 119.8 | 163.7 | -178.2 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 486 | G | 25.6 | Very low | 29.5 | Very low | 65 Ų | 65 | 150.8 Ų | 150.8 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | cis | 100.3 | 85.6 | 27.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 487 | R | 32.4 | Very low | 29.4 | Very low | 252 Ų | 252 | 148.5 Ų | 148.5 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | trans | -159.5 | 97 | 157.1 | -109.4 | 179.5 | -170.9 | -160.8 | 1.1 | 111.4 | ||||
| 488 | E | 29.8 | Very low | 29.5 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -49.5 | 161.3 | 136.9 | -65.2 | 166.6 | 174.3 | 0 | 0 | 109.4 | ||||
| 489 | D | 31.5 | Very low | 29.6 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | cis | -169.9 | 153.8 | -1 | -108.1 | -23 | 0 | 0 | 0 | 104.9 | ||||
| 490 | E | 27.8 | Very low | 29.6 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | 178.9 | 102 | 137.3 | -100.5 | -169.1 | 179.7 | 0 | 0 | 108.5 | ||||
| 491 | N | 27.2 | Very low | 29.8 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | 43.8 | 112 | 102.3 | -97.6 | -12.1 | 0 | 0 | 0 | 113.5 | |||||
| 492 | S | 31 | Very low | 29.9 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 161.8 | -172.9 | 59.6 | 45.3 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 493 | P | 37.3 | Very low | 30.3 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | -122.7 | 156.2 | -65.6 | 35.7 | -21.2 | 0 | 0 | 0 | 113.4 | |||||
| 494 | G | 26.3 | Very low | 30.2 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 50.9 | 113.7 | 140.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 495 | E | 27.2 | Very low | 30.3 | Very low | 182 Ų | 182 | 137 Ų | 137 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -145.7 | 111.9 | 136.3 | -146.6 | 169.4 | -163.1 | 0 | 0 | 110.8 | T497 | E495-T497 PolarHBondContact O-N 3.47Š| ||
| 496 | I | 32.7 | Very low | 30.2 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 82% | 0.821 | 81% | 0.805 | S | S | * | * | trans | -84.7 | 98.4 | 173.3 | -64.6 | 167.8 | 0 | 0 | 0 | 106.2 | V498 | I496-V498 HydrophobicContact CG2-CG2 4.29Å; I496-V498 PolarHBondContact O-N 3.16Å | ||
| 497 | T | 30.1 | Very low | 30.9 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | trans | -83.2 | 105.3 | 164.8 | 40.5 | 0 | 0 | 0 | 0 | 109.6 | E495 A499 | E495-T497 PolarHBondContact O-N 3.47Å; T497-A499 PolarHBondContact O-N 3.24Å | ||
| 498 | V | 29 | Very low | 30.7 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -63.4 | 105.6 | 165.6 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | I496 A500 | I496-V498 HydrophobicContact CG2-CG2 4.29Å; I496-V498 PolarHBondContact O-N 3.16Å; V498-A500 PolarHBondContact O-N 3.49Å | ||
| 499 | A | 30.4 | Very low | 30.9 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -76.2 | 109.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | T497 | T497-A499 PolarHBondContact O-N 3.24Š| ||
| 500 | A | 29 | Very low | 30.9 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 135.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V498 A502 | V498-A500 PolarHBondContact O-N 3.49Å; A500-A502 PolarHBondContact O-N 3.15Å |
| 501 | Q | 32.5 | Very low | 31.4 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 127.9 | 175.2 | -69 | 172.5 | -34.5 | 0 | 0 | 110.1 | ||
| 502 | A | 29.6 | Very low | 31.5 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 134.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | A500 | A500-A502 PolarHBondContact O-N 3.15Š|
| 503 | P | 34.9 | Very low | 31.6 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -83.9 | 115.8 | 165.6 | 29.6 | -24.9 | 0 | 0 | 0 | 109.1 | ||||
| 504 | E | 29.1 | Very low | 31.3 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 146.7 | 158.3 | -91 | -159.2 | 156.5 | 0 | 0 | 110 | ||
| 505 | P | 33.2 | Very low | 31.3 | Very low | 128 Ų | 128 | 144 Ų | 144 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 125.2 | -177 | 33 | -30.6 | 0 | 0 | 0 | 110.9 | ||
| 506 | E | 28.6 | Very low | 31.4 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 153.4 | 161.9 | -98.6 | -161.6 | 174.1 | 0 | 0 | 111.6 | ||
| 507 | P | 39.3 | Very low | 31.3 | Very low | 112 Ų | 112 | 145 Ų | 145 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 158.7 | -144.2 | 35 | -36.4 | 0 | 0 | 0 | 115.1 | ||
| 508 | E | 28.1 | Very low | 31.2 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 130.5 | 176.7 | -60.5 | 179.4 | 153 | 0 | 0 | 113.6 | ||
| 509 | L | 34.6 | Very low | 31.1 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -106.2 | 123.5 | 164.1 | -83.4 | 163.4 | 0 | 0 | 0 | 110 | ||||
| 510 | K | 31.2 | Very low | 31 | Very low | 196 Ų | 196 | 144 Ų | 144 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | trans | -142.1 | 162.3 | 160.1 | -70.3 | -171.9 | 178.8 | 173.6 | 0 | 108 | ||||
| 511 | P | 37.3 | Very low | 31.1 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | -122.6 | 165.9 | -80.4 | 26 | -4.5 | 0 | 0 | 0 | 113.8 | |||||
| 512 | A | 30.4 | Very low | 31.8 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | trans | 14.4 | 122.8 | 157 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 513 | K | 33.8 | Very low | 31.8 | Very low | 215 Ų | 215 | 147.8 Ų | 147.8 | 94% | 0.935 | 82% | 0.824 | S | S | * | * | trans | -137.9 | 130.4 | 139.6 | -86.2 | -176.8 | -179.9 | 173 | 0 | 110.8 | ||||
| 514 | C | 29.1 | Very low | 31.4 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -64.3 | 175.5 | 178.9 | -73.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 515 | V | 26.5 | Very low | 31.6 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | 101.3 | 127.7 | 157.2 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 516 | K | 29.2 | Very low | 31.7 | Very low | 195 Ų | 195 | 145.3 Ų | 145.3 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | cis | -158.5 | 147.2 | 5.6 | -122 | 161.8 | -169.2 | 177.8 | 0 | 107.5 | ||||
| 517 | I | 30.7 | Very low | 31.7 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | trans | -82.2 | 135.2 | 165.9 | -62 | 166.3 | 0 | 0 | 0 | 108.4 | ||||
| 518 | S | 27.8 | Very low | 31.7 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -147.6 | 125.2 | 152.5 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 519 | S | 28.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -70.6 | 141.8 | 170.7 | 49 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 520 | A | 28.4 | Very low | 31.4 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -177.8 | 122.7 | 135.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 521 | Q | 29.6 | Very low | 31.8 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -89 | -175.2 | 163.7 | -106.1 | -169.3 | -21.9 | 0 | 0 | 109.3 | ||||
| 522 | P | 48.5 | Very low | 31.5 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 62% | 0.623 | 78% | 0.776 | S | S | * | * | -126.4 | 177.1 | -55.5 | 35.4 | -17.7 | 0 | 0 | 0 | 110.3 | |||||
| 523 | D | 28 | Very low | 31.4 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | 177.4 | 137 | 129.6 | -100.8 | -20.4 | 0 | 0 | 0 | 116.8 | |||||
| 524 | V | 28.4 | Very low | 31.1 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | 81 | 105.8 | 146.4 | -175.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 525 | I | 32.3 | Very low | 32.2 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | -72.8 | 150 | 159 | -51 | 160 | 0 | 0 | 0 | 108.3 | ||||
| 526 | P | 35.2 | Very low | 32.2 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | -141.4 | 136.8 | 91.3 | 20.4 | 2.9 | 0 | 0 | 0 | 115.5 | |||||
| 527 | S | 28.7 | Very low | 32.2 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | -56 | 177 | 156.2 | -41.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 528 | P | 39.7 | Very low | 32 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | cis | -161 | 164.8 | 37.6 | 44.5 | -20.7 | 0 | 0 | 0 | 120.2 | ||||
| 529 | S | 28.5 | Very low | 32.1 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | trans | 59.9 | 140 | 132.5 | 60.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 530 | W | 28.5 | Very low | 32.1 | Very low | 237 Ų | 237 | 140 Ų | 140 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | 154.3 | 157.5 | 120.6 | -86.7 | 86.5 | 0 | 0 | 0 | 113.1 | |||||
| 531 | P | 37.9 | Very low | 32.1 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | -129.5 | -172.1 | -131.2 | 45.9 | -32.8 | 0 | 0 | 0 | 116.6 | ||||
| 532 | V | 31.4 | Very low | 32.1 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | trans | -34.5 | 142 | 164.7 | 175.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 533 | S | 27.8 | Very low | 31.2 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | 174.3 | 139.5 | 124.9 | -70.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 534 | D | 28.9 | Very low | 31.3 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -78.1 | -170.8 | 170.8 | -106.7 | -22.5 | 0 | 0 | 0 | 112.2 | ||||
| 535 | P | 51.3 | Low | 31.4 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | -128.3 | 179.8 | -64.9 | 36.6 | -17.2 | 0 | 0 | 0 | 111.8 | |||||
| 536 | K | 27 | Very low | 31.3 | Very low | 210 Ų | 210 | 142.4 Ų | 142.4 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | trans | -167.3 | 146.3 | 154.3 | -112 | 172.9 | -171.9 | -175.1 | 0 | 114.7 | ||||
| 537 | E | 28.1 | Very low | 31.1 | Very low | 175 Ų | 175 | 146 Ų | 146 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -62.9 | 154.3 | -179.2 | -63.8 | 170.6 | 128.4 | 0 | 0 | 115.3 | ||||
| 538 | E | 28.2 | Very low | 31.3 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | 165.3 | 124.1 | 111.9 | -90.9 | -170.4 | -176.4 | 0 | 0 | 113.2 | |||||
| 539 | T | 28.6 | Very low | 30.9 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | 31.1 | 124.7 | 132.3 | 7.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 540 | K | 29.7 | Very low | 31.1 | Very low | 197 Ų | 197 | 156.5 Ų | 156.5 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | 159.3 | 116.7 | 123.7 | -87.1 | 163.8 | -176.3 | 172.6 | 0 | 110 | |||||
| 541 | N | 27.7 | Very low | 31.4 | Very low | 143 Ų | 143 | 157 Ų | 157 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | 81 | 132.2 | 81.8 | -115.8 | 12.8 | 0 | 0 | 0 | 116.3 | |||||
| 542 | N | 28.6 | Very low | 31.4 | Very low | 124 Ų | 124 | 161.9 Ų | 161.9 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | trans | 75.4 | 116.3 | 157.6 | -65.5 | -8.3 | 0 | 0 | 0 | 118.9 | ||||
| 543 | Q | 30.6 | Very low | 31.7 | Very low | 160 Ų | 160 | 165.3 Ų | 165.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 76.1 | 105.2 | 60.8 | -165.1 | -170.5 | 61.2 | 0 | 0 | 112.2 | |||||
| 544 | H | 30.7 | Very low | 32.4 | Very low | 167 Ų | 167 | 165.6 Ų | 165.6 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 154.1 | 151.3 | 153.1 | -96.3 | 47.9 | 0 | 0 | 0 | 108.4 | ||||
| 545 | N | 29.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 168 Ų | 168 | 63% | 0.631 | 80% | 0.801 | S | S | * | * | cis | -171.4 | 161.2 | -17.3 | -165.4 | -1.4 | 0 | 0 | 0 | 103.9 | ||||
| 546 | N | 29.4 | Very low | 31.8 | Very low | 142 Ų | 142 | 169.2 Ų | 169.2 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -25.4 | 139.5 | 169.8 | -62.8 | -37.7 | 0 | 0 | 0 | 116.9 | ||||
| 547 | Q | 32.4 | Very low | 32.2 | Very low | 199 Ų | 199 | 167.9 Ų | 167.9 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | -158.9 | 147.5 | 117.7 | -129.8 | 168.8 | 2.4 | 0 | 0 | 114.4 | |||||
| 548 | E | 31.5 | Very low | 32.6 | Very low | 173 Ų | 173 | 165.3 Ų | 165.3 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -91.8 | 170.5 | -164.5 | -162.4 | -175.9 | -167.5 | 0 | 0 | 111.2 | ||||
| 549 | V | 31.6 | Very low | 33.2 | Very low | 103 Ų | 103 | 164.4 Ų | 164.4 | 62% | 0.624 | 80% | 0.798 | S | S | * | * | trans | 80.6 | 107.6 | 156.1 | -169.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 550 | R | 32.9 | Very low | 33.4 | Very low | 232 Ų | 232 | 168.7 Ų | 168.7 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | 172.6 | 129.8 | 97.3 | -120.3 | 141.6 | -163.8 | -165.8 | 3.3 | 112.8 | |||||
| 551 | R | 35.8 | Very low | 33.6 | Very low | 247 Ų | 247 | 165.4 Ų | 165.4 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -60.3 | 134.9 | 167.3 | -64.4 | 170.9 | 172.3 | 170.6 | -3.5 | 111.2 | ||||
| 552 | K | 36.7 | Very low | 33.9 | Very low | 206 Ų | 206 | 164.8 Ų | 164.8 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | -135 | 129.7 | 155.7 | -77.4 | -174.7 | 178.9 | 175.7 | 0 | 109.9 | ||||
| 553 | K | 37.4 | Very low | 34.3 | Very low | 202 Ų | 202 | 164 Ų | 164 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71 | 149.2 | 177.3 | -62 | 173.7 | 177.3 | 179 | 0 | 110.5 | ||
| 554 | P | 42.9 | Very low | 34.6 | Very low | 125 Ų | 125 | 164 Ų | 164 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 145.3 | 170.9 | 31.4 | -30.5 | 0 | 0 | 0 | 112.1 | ||
| 555 | K | 36.5 | Very low | 34.9 | Very low | 208 Ų | 208 | 163.1 Ų | 163.1 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 139.5 | 171.5 | -74.6 | 176.3 | 175.2 | 179.1 | 0 | 109.7 | ||
| 556 | T | 32.2 | Very low | 35.5 | Very low | 134 Ų | 134 | 164.1 Ų | 164.1 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86 | 123 | 173.1 | -37.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 557 | E | 35.8 | Very low | 36.1 | Very low | 183 Ų | 183 | 165.1 Ų | 165.1 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 130.2 | 167.5 | -80.7 | 177.9 | 173 | 0 | 0 | 109.8 | ||
| 558 | V | 35.9 | Very low | 36.4 | Very low | 121 Ų | 121 | 164.3 Ų | 164.3 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 118.1 | 178.7 | 174 | 0 | 0 | 0 | 0 | 107.6 | Y560 | V558-Y560 HydrophobicContact CG1-CD2 4.45Å; V558-Y560 HydrophobicContact CG1-CE2 4.47Å |
| 559 | I | 39.9 | Very low | 36.8 | Very low | 149 Ų | 149 | 163.8 Ų | 163.8 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 119 | 172.1 | -60.5 | 175.9 | 0 | 0 | 0 | 108.2 | ||
| 560 | Y | 32.8 | Very low | 37.2 | Very low | 209 Ų | 209 | 167.6 Ų | 167.6 | 82% | 0.82 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 129.5 | 168.3 | -90.4 | -99.8 | 0 | 0 | 0 | 109.7 | V558 | V558-Y560 HydrophobicContact CG1-CD2 4.45Å; V558-Y560 HydrophobicContact CG1-CE2 4.47Å |
| 561 | V | 35.1 | Very low | 37.4 | Very low | 128 Ų | 128 | 163.2 Ų | 163.2 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | -107.7 | 115.1 | 170.3 | 179 | 0 | 0 | 0 | 0 | 108 | ||||
| 562 | T | 33.2 | Very low | 37.9 | Very low | 130 Ų | 130 | 156 Ų | 156 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | trans | -92 | 120.3 | 166.9 | 40.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 563 | S | 36.4 | Very low | 38.3 | Very low | 108 Ų | 108 | 155.6 Ų | 155.6 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -91.3 | 108.6 | 177.2 | 44.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 564 | N | 37.9 | Very low | 38.3 | Very low | 161 Ų | 161 | 158.7 Ų | 158.7 | 86% | 0.861 | 85% | 0.849 | S | S | * | * | trans | -94.2 | 118.9 | 163.3 | -80.5 | -11 | 0 | 0 | 0 | 109.2 | ||||
| 565 | N | 37 | Very low | 38.1 | Very low | 148 Ų | 148 | 160.4 Ų | 160.4 | 79% | 0.791 | 85% | 0.851 | S | S | * | * | trans | -91.5 | 114.8 | 178.6 | -173.1 | 13.6 | 0 | 0 | 0 | 107.7 | ||||
| 566 | T | 42.7 | Very low | 38.1 | Very low | 138 Ų | 138 | 157.9 Ų | 157.9 | 85% | 0.847 | 85% | 0.848 | S | S | * | * | trans | -113.2 | 113.5 | 169.9 | 10.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 567 | M | 41.7 | Very low | 38.5 | Very low | 163 Ų | 163 | 159.2 Ų | 159.2 | 80% | 0.803 | 85% | 0.849 | S | S | * | * | trans | -64.8 | 131.9 | 170.8 | -65.8 | -97.5 | -72.6 | 0 | 0 | 110.3 | ||||
| 568 | E | 38.5 | Very low | 38.6 | Very low | 183 Ų | 183 | 157.8 Ų | 157.8 | 86% | 0.855 | 85% | 0.849 | S | S | * | * | trans | -152.5 | 84.4 | 156.7 | -123.6 | 166 | -162.5 | 0 | 0 | 110.1 | ||||
| 569 | N | 39.3 | Very low | 38.8 | Very low | 162 Ų | 162 | 160.1 Ų | 160.1 | 87% | 0.866 | 86% | 0.856 | S | S | * | * | trans | -96.1 | 109.8 | 158 | -84.3 | -23.9 | 0 | 0 | 0 | 106.9 | ||||
| 570 | Q | 40.6 | Very low | 38.7 | Very low | 183 Ų | 183 | 160.9 Ų | 160.9 | 86% | 0.855 | 86% | 0.862 | S | S | * | * | trans | -132.8 | 102.8 | 157.3 | -71.9 | -169.5 | 7.7 | 0 | 0 | 108.4 | ||||
| 571 | C | 37.2 | Very low | 39.1 | Very low | 140 Ų | 140 | 157.4 Ų | 157.4 | 95% | 0.946 | 87% | 0.865 | S | S | * | * | trans | -93.4 | 114.1 | 166.5 | -150.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 572 | A | 45.7 | Very low | 39.4 | Very low | 96 Ų | 96 | 159.7 Ų | 159.7 | 79% | 0.793 | 87% | 0.872 | S | S | * | * | trans | -106.5 | 126.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 573 | Q | 46.5 | Very low | 40 | Very low | 196 Ų | 196 | 162.2 Ų | 162.2 | 92% | 0.916 | 88% | 0.878 | S | S | * | * | trans | -60.6 | 128.3 | 169.2 | -75.2 | 169 | -40.7 | 0 | 0 | 110.9 | ||||
| 574 | Q | 36.3 | Very low | 40.3 | Very low | 268 Ų | 268 | 167.1 Ų | 167.1 | 100% | 1.252 | 89% | 0.89 | S | S | * | * | -167.1 | 0 | 116.7 | -106.5 | 179.4 | 0.9 | 0 | 0 | 110.2 |
Retrieved 574 of 574 residues in 191.6 ms
(Link to these results)