| 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 | 55.9 | Low | 48.8 | Very low | 233 Ų | 233 | 165.4 Ų | 165.4 | 100% | 1.148 | 84% | 0.841 | S | S | * | * | 0 | 110.3 | 0 | -75.1 | 164.7 | 57.6 | 0 | 0 | 109.1 | |||||
| 2 | W | 35.3 | Very low | 49.4 | Very low | 253 Ų | 253 | 159.7 Ų | 159.7 | 96% | 0.958 | 84% | 0.838 | S | S | * | * | trans | -142.8 | 149.9 | 159.6 | -89.7 | 85.6 | 0 | 0 | 0 | 107.2 | ||||
| 3 | P | 52.5 | Low | 49.9 | Very low | 114 Ų | 114 | 155.2 Ų | 155.2 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 145.7 | -164.2 | 32.7 | -35 | 0 | 0 | 0 | 113.8 | ||
| 4 | Q | 49.4 | Very low | 50.6 | Low | 178 Ų | 178 | 149.6 Ų | 149.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 134.4 | 178.2 | -158.6 | 172 | 16.4 | 0 | 0 | 110.9 | R6 | Q4-R6 PolarHBondContact O-N 3.09Š|
| 5 | P | 48.4 | Very low | 51.1 | Low | 118 Ų | 118 | 149.5 Ų | 149.5 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 125.7 | 177.4 | -20.6 | 32.6 | 0 | 0 | 0 | 111.4 | L7 | P5-L7 PolarHBondContact O-N 3.3Š|
| 6 | R | 45.6 | Very low | 51.5 | Low | 243 Ų | 243 | 150.8 Ų | 150.8 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -85 | 113 | 173.5 | -67.8 | -177.2 | -177.4 | -96.8 | 0.8 | 109.6 | Q4 | Q4-R6 PolarHBondContact O-N 3.09Š| ||
| 7 | L | 55.8 | Low | 52.4 | Low | 160 Ų | 160 | 145.7 Ų | 145.7 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 147.2 | 165.6 | -70.2 | 171.2 | 0 | 0 | 0 | 110.2 | P5 | P5-L7 PolarHBondContact O-N 3.3Š|
| 8 | P | 52.9 | Low | 53.4 | Low | 105 Ų | 105 | 144.4 Ų | 144.4 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 142.4 | 177.1 | 28.8 | -34.6 | 0 | 0 | 0 | 110.5 | H10 | P8-H10 PolarHBondContact O-N 3.11Š|
| 9 | P | 50.1 | Low | 54.2 | Low | 123 Ų | 123 | 144.1 Ų | 144.1 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 131.2 | 175.6 | 28 | -33.6 | 0 | 0 | 0 | 110.1 | ||
| 10 | H | 45.1 | Very low | 55.6 | Low | 174 Ų | 174 | 138.9 Ų | 138.9 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 147.8 | 166.8 | -71.8 | -85 | 0 | 0 | 0 | 110.1 | P8 A12 | P8-H10 PolarHBondContact O-N 3.11Å; H10-A12 VanDerWaalsContact C-N 3.29Å; H10-A12 PolarHBondContact O-N 3.19Å |
| 11 | P | 45.9 | Very low | 56.8 | Low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | trans | -69.7 | 84.8 | -177.2 | 28.6 | -35.3 | 0 | 0 | 0 | 111.1 | M13 | P11-M13 PolarHBondContact O-N 3.5Š| ||
| 12 | A | 55.6 | Low | 58 | Low | 97 Ų | 97 | 132.5 Ų | 132.5 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | trans | -62.8 | 95 | 175 | 0 | 0 | 0 | 0 | 0 | 109.6 | H10 S14 | H10-A12 VanDerWaalsContact C-N 3.29Å; H10-A12 PolarHBondContact O-N 3.19Å; A12-S14 PolarHBondContact O-N 3.5Å | ||
| 13 | M | 55.7 | Low | 60.3 | Low | 102 Ų | 102 | 123 Ų | 123 | 50% | 0.502 | 67% | 0.667 | S | S | . | * | trans | -63.5 | 97.6 | 178.1 | -74.4 | -72 | -80 | 0 | 0 | 109.5 | P11 T17 Q18 | P11-M13 PolarHBondContact O-N 3.5Å; M13-T17 HydrophobicContact CE-CG2 3.62Å; M13-Q18 PolarHBondContact O-NE2 2.9Å | ||
| 14 | S | 59.6 | Low | 61.8 | Low | 77 Ų | 77 | 120 Ų | 120 | 54% | 0.538 | 65% | 0.652 | S | S | . | * | trans | -38.5 | 138 | -178.4 | 177.6 | 0 | 0 | 0 | 0 | 112.6 | A12 K16 T17 Q18 | A12-S14 PolarHBondContact O-N 3.5Å; S14-K16 PolarHBondContact O-N 3.02Å; S14-T17 WeakPolarHBondContact O-CA 3.4Å; S14-T17 VanDerWaalsContact O-CB 3.31Å; S14-T17 WeakPolarHBondContact O-CB 3.43Å; S14-T17 PolarHBondContact O-N 3.45Å; S14-Q18 PolarHBondContact O-N 3.44Å | ||
| 15 | E | 58.3 | Low | 63.5 | Low | 147 Ų | 147 | 114.3 Ų | 114.3 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -49 | -34.9 | -177.1 | -58.4 | 178.3 | 144.6 | 0 | 0 | 113.1 | T17 Q18 Q19 | E15-T17 PolarHBondContact O-N 3.47Å; E15-Q18 CarbonylContact O-C 3.57Å; E15-Q18 WeakPolarHBondContact O-CA 3.46Å; E15-Q18 WeakPolarHBondContact O-CB 3.48Å; E15-Q18 PolarHBondContact O-N 3.25Å; E15-Q19 PolarHBondContact O-N 2.9Å |
| 16 | K | 57 | Low | 65.3 | Low | 171 Ų | 171 | 115.3 Ų | 115.3 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -56.7 | -34.2 | 175.7 | -163.7 | 171.4 | -173.8 | 172.8 | 0 | 112.6 | S14 G20 | S14-K16 PolarHBondContact O-N 3.02Å; K16-G20 PolarHBondContact O-N 3.39Å |
| 17 | T | 67.5 | Low | 67.5 | Low | 64 Ų | 64 | 111.8 Ų | 111.8 | 39% | 0.393 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -80.1 | -32.7 | 175.5 | -48.7 | 0 | 0 | 0 | 0 | 112 | M13 S14 E15 G20 K21 | M13-T17 HydrophobicContact CE-CG2 3.62Å; S14-T17 WeakPolarHBondContact O-CA 3.4Å; S14-T17 VanDerWaalsContact O-CB 3.31Å; S14-T17 WeakPolarHBondContact O-CB 3.43Å; S14-T17 PolarHBondContact O-N 3.45Å; E15-T17 PolarHBondContact O-N 3.47Å; T17-G20 PolarHBondContact O-N 3.26Å; T17-K21 WeakPolarHBondContact O-CG 3.48Å; T17-K21 PolarHBondContact O-N 3.28Å |
| 18 | Q | 69.7 | Low | 69.1 | Low | 122 Ų | 122 | 112.2 Ų | 112.2 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.7 | -48.3 | 172.6 | -59.7 | -173.3 | 2.2 | 0 | 0 | 111.2 | M13 S14 E15 G20 K21 L22 | M13-Q18 PolarHBondContact O-NE2 2.9Å; S14-Q18 PolarHBondContact O-N 3.44Å; E15-Q18 CarbonylContact O-C 3.57Å; E15-Q18 WeakPolarHBondContact O-CA 3.46Å; E15-Q18 WeakPolarHBondContact O-CB 3.48Å; E15-Q18 PolarHBondContact O-N 3.25Å; Q18-G20 VanDerWaalsContact C-N 3.3Å; Q18-G20 PolarHBondContact O-N 3.01Å; Q18-K21 PolarHBondContact O-N 3.1Å; Q18-L22 WeakPolarHBondContact O-CB 3.48Å; Q18-L22 PolarHBondContact O-N 2.93Å |
| 19 | Q | 70 | Confident | 70.5 | Confident | 138 Ų | 138 | 112 Ų | 112 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58 | -40.8 | 171.2 | -71.3 | -173.7 | -2.5 | 0 | 0 | 111.6 | E15 L22 A23 | E15-Q19 PolarHBondContact O-N 2.9Å; Q19-L22 PolarHBondContact O-N 2.97Å; Q19-A23 VanDerWaalsContact O-CB 3.28Å; Q19-A23 WeakPolarHBondContact O-CB 3.37Å; Q19-A23 PolarHBondContact O-N 3.38Å |
| 20 | G | 81.4 | Confident | 72.2 | Confident | 41 Ų | 41 | 113.5 Ų | 113.5 | 42% | 0.423 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58.8 | -47 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K16 T17 Q18 A24 | K16-G20 PolarHBondContact O-N 3.39Å; T17-G20 PolarHBondContact O-N 3.26Å; Q18-G20 VanDerWaalsContact C-N 3.3Å; Q18-G20 PolarHBondContact O-N 3.01Å; G20-A24 WeakPolarHBondContact O-CB 3.18Å; G20-A24 PolarHBondContact O-N 3.24Å |
| 21 | K | 80.3 | Confident | 73.8 | Confident | 138 Ų | 138 | 108 Ų | 108 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.1 | -44.1 | 174.1 | -74 | 178.2 | 178.1 | -173.9 | 0 | 111.9 | T17 Q18 A24 A25 | T17-K21 WeakPolarHBondContact O-CG 3.48Å; T17-K21 PolarHBondContact O-N 3.28Å; Q18-K21 PolarHBondContact O-N 3.1Å; K21-A24 PolarHBondContact O-N 3.49Å; K21-A25 WeakPolarHBondContact O-CB 3.41Å; K21-A25 PolarHBondContact O-N 3.44Å |
| 22 | L | 81.4 | Confident | 75.4 | Confident | 100 Ų | 100 | 108.7 Ų | 108.7 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.8 | -37 | -179.7 | -172.9 | 138.1 | 0 | 0 | 0 | 112.5 | Q18 Q19 A25 K26 | Q18-L22 WeakPolarHBondContact O-CB 3.48Å; Q18-L22 PolarHBondContact O-N 2.93Å; Q19-L22 PolarHBondContact O-N 2.97Å; L22-A25 PolarHBondContact O-N 2.99Å; L22-K26 HydrophobicContact CD2-CD 3.92Å; L22-K26 WeakPolarHBondContact O-CB 3.48Å; L22-K26 WeakPolarHBondContact O-CG 3.33Å; L22-K26 PolarHBondContact O-N 3.19Å |
| 23 | A | 83.4 | Confident | 76.3 | Confident | 53 Ų | 53 | 111.5 Ų | 111.5 | 44% | 0.438 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.2 | -39.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q19 K26 K27 | Q19-A23 VanDerWaalsContact O-CB 3.28Å; Q19-A23 WeakPolarHBondContact O-CB 3.37Å; Q19-A23 PolarHBondContact O-N 3.38Å; A23-K26 PolarHBondContact O-N 3.03Å; A23-K27 PolarHBondContact O-N 2.98Å |
| 24 | A | 84.4 | Confident | 77.1 | Confident | 52 Ų | 52 | 113.5 Ų | 113.5 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.2 | -42 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | G20 K21 K27 K28 | G20-A24 WeakPolarHBondContact O-CB 3.18Å; G20-A24 PolarHBondContact O-N 3.24Å; K21-A24 PolarHBondContact O-N 3.49Å; A24-K27 PolarHBondContact O-N 3.22Å; A24-K28 PolarHBondContact O-N 2.82Å |
| 25 | A | 84.3 | Confident | 77.5 | Confident | 58 Ų | 58 | 120.7 Ų | 120.7 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.8 | -48.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | K21 L22 K27 K28 L29 | K21-A25 WeakPolarHBondContact O-CB 3.41Å; K21-A25 PolarHBondContact O-N 3.44Å; L22-A25 PolarHBondContact O-N 2.99Å; A25-K27 VanDerWaalsContact C-N 3.31Å; A25-K27 PolarHBondContact O-N 3.35Å; A25-K28 PolarHBondContact O-N 2.9Å; A25-K28 VanDerWaalsContact O-N 3.11Å; A25-L29 PolarHBondContact O-N 3.16Å |
| 26 | K | 87.4 | Confident | 77.7 | Confident | 139 Ų | 139 | 120.3 Ų | 120.3 | 60% | 0.604 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.2 | -36.7 | 175.5 | -75.4 | -178.4 | 176.1 | -177.9 | 0 | 112.7 | L22 A23 K30 | L22-K26 HydrophobicContact CD2-CD 3.92Å; L22-K26 WeakPolarHBondContact O-CB 3.48Å; L22-K26 WeakPolarHBondContact O-CG 3.33Å; L22-K26 PolarHBondContact O-N 3.19Å; A23-K26 PolarHBondContact O-N 3.03Å; K26-K30 WeakPolarHBondContact O-CB 3.4Å; K26-K30 PolarHBondContact O-N 3.43Å |
| 27 | K | 91.5 | Very high | 77.4 | Confident | 169 Ų | 169 | 115.4 Ų | 115.4 | 74% | 0.735 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.2 | -43.7 | 171.6 | -81.5 | -170.1 | 175.8 | -175.2 | 0 | 112.7 | A23 A24 A25 K30 A31 | A23-K27 PolarHBondContact O-N 2.98Å; A24-K27 PolarHBondContact O-N 3.22Å; A25-K27 VanDerWaalsContact C-N 3.31Å; A25-K27 PolarHBondContact O-N 3.35Å; K27-K30 PolarHBondContact O-N 2.96Å; K27-A31 WeakPolarHBondContact O-CB 3.44Å; K27-A31 PolarHBondContact O-N 2.74Å |
| 28 | K | 88.8 | Confident | 76.5 | Confident | 169 Ų | 169 | 118 Ų | 118 | 74% | 0.735 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.6 | -44.8 | 175.7 | -74.8 | -175.6 | 175.2 | -172.5 | 0 | 111.8 | A24 A25 A31 Y32 | A24-K28 PolarHBondContact O-N 2.82Å; A25-K28 PolarHBondContact O-N 2.9Å; A25-K28 VanDerWaalsContact O-N 3.11Å; K28-A31 PolarHBondContact O-N 3.29Å; K28-Y32 PolarHBondContact O-N 3.49Å |
| 29 | L | 83.1 | Confident | 75.1 | Confident | 101 Ų | 101 | 115.7 Ų | 115.7 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.9 | -45.2 | 176.7 | -175.9 | 61.3 | 0 | 0 | 0 | 111.8 | A25 A31 Y32 W33 | A25-L29 PolarHBondContact O-N 3.16Å; L29-A31 VanDerWaalsContact C-N 3.31Å; L29-A31 PolarHBondContact O-N 3.47Å; L29-Y32 WeakPolarHBondContact O-CB 3.32Å; L29-Y32 PolarHBondContact O-N 2.83Å; L29-W33 VanDerWaalsContact O-CD1 3.31Å; L29-W33 PolarHBondContact O-N 2.87Å |
| 30 | K | 85.6 | Confident | 73.8 | Confident | 153 Ų | 153 | 116.4 Ų | 116.4 | 67% | 0.665 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.6 | -35.8 | 175.8 | -171.6 | 169.4 | -177.2 | 173.2 | 0 | 112.5 | K26 K27 Q34 | K26-K30 WeakPolarHBondContact O-CB 3.4Å; K26-K30 PolarHBondContact O-N 3.43Å; K27-K30 PolarHBondContact O-N 2.96Å; K30-Q34 WeakPolarHBondContact O-CB 3.48Å; K30-Q34 VanDerWaalsContact O-CG 3.26Å; K30-Q34 WeakPolarHBondContact O-CG 3.34Å; K30-Q34 PolarHBondContact O-N 3.29Å |
| 31 | A | 79.5 | Confident | 71.7 | Confident | 58 Ų | 58 | 120.1 Ų | 120.1 | 48% | 0.479 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.3 | -34.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K27 K28 L29 R35 | K27-A31 WeakPolarHBondContact O-CB 3.44Å; K27-A31 PolarHBondContact O-N 2.74Å; K28-A31 PolarHBondContact O-N 3.29Å; L29-A31 VanDerWaalsContact C-N 3.31Å; L29-A31 PolarHBondContact O-N 3.47Å; A31-R35 WeakPolarHBondContact O-CB 3.43Å; A31-R35 PolarHBondContact O-N 2.87Å; A31-R35 VanDerWaalsContact O-N 3.09Å |
| 32 | Y | 79.2 | Confident | 69.6 | Low | 134 Ų | 134 | 118.5 Ų | 118.5 | 53% | 0.525 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.5 | -51.4 | 172.3 | 176.2 | -99.7 | 0 | 0 | 0 | 111.1 | K28 L29 Q34 R35 K36 | K28-Y32 PolarHBondContact O-N 3.49Å; L29-Y32 WeakPolarHBondContact O-CB 3.32Å; L29-Y32 PolarHBondContact O-N 2.83Å; Y32-Q34 PolarHBondContact O-N 3.19Å; Y32-R35 PolarHBondContact O-N 3.16Å; Y32-R35 VanDerWaalsContact O-N 3.08Å; Y32-K36 HydrophobicContact CE1-CG 4.29Å; Y32-K36 HydrophobicContact CE2-CG 4.35Å; Y32-K36 PolarHBondContact O-N 2.85Å |
| 33 | W | 75.2 | Confident | 67.3 | Low | 156 Ų | 156 | 117.2 Ų | 117.2 | 59% | 0.591 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.4 | -44.4 | 176.4 | -79.6 | 106.3 | 0 | 0 | 0 | 112.7 | L29 R35 K36 S37 | L29-W33 VanDerWaalsContact O-CD1 3.31Å; L29-W33 PolarHBondContact O-N 2.87Å; W33-R35 PolarHBondContact O-N 3.46Å; W33-K36 CarbonylContact O-C 3.59Å; W33-K36 PolarHBondContact O-N 3.46Å; W33-S37 PolarHBondContact O-N 3.44Å; W33-S37 PolarHBondContact O-OG 2.99Å |
| 34 | Q | 71.4 | Confident | 64.7 | Low | 144 Ų | 144 | 119 Ų | 119 | 67% | 0.673 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.2 | -27 | 174.2 | -78.6 | -84 | -73.4 | 0 | 0 | 114 | K30 Y32 | K30-Q34 WeakPolarHBondContact O-CB 3.48Å; K30-Q34 VanDerWaalsContact O-CG 3.26Å; K30-Q34 WeakPolarHBondContact O-CG 3.34Å; K30-Q34 PolarHBondContact O-N 3.29Å; Y32-Q34 PolarHBondContact O-N 3.19Å |
| 35 | R | 68.8 | Low | 62.7 | Low | 227 Ų | 227 | 123.5 Ų | 123.5 | 86% | 0.857 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -84.7 | -17.6 | 174.1 | -169.9 | -179.7 | -71.1 | -162.7 | -3.7 | 112.8 | A31 Y32 W33 | A31-R35 WeakPolarHBondContact O-CB 3.43Å; A31-R35 PolarHBondContact O-N 2.87Å; A31-R35 VanDerWaalsContact O-N 3.09Å; Y32-R35 PolarHBondContact O-N 3.16Å; Y32-R35 VanDerWaalsContact O-N 3.08Å; W33-R35 PolarHBondContact O-N 3.46Å |
| 36 | K | 61.8 | Low | 60.6 | Low | 140 Ų | 140 | 130.7 Ų | 130.7 | 61% | 0.609 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -98.9 | -20.3 | 179.4 | -85.1 | -74 | -171.4 | 174 | 0 | 114.1 | Y32 W33 P38 | Y32-K36 HydrophobicContact CE1-CG 4.29Å; Y32-K36 HydrophobicContact CE2-CG 4.35Å; Y32-K36 PolarHBondContact O-N 2.85Å; W33-K36 CarbonylContact O-C 3.59Å; W33-K36 PolarHBondContact O-N 3.46Å; K36-P38 WeakPolarHBondContact O-CD 3.29Å |
| 37 | S | 49.8 | Very low | 58.4 | Low | 67 Ų | 67 | 132.3 Ų | 132.3 | 47% | 0.469 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -71.5 | 123.9 | 170.4 | -60.2 | 0 | 0 | 0 | 0 | 111 | W33 G39 | W33-S37 PolarHBondContact O-N 3.44Å; W33-S37 PolarHBondContact O-OG 2.99Å; S37-G39 PolarHBondContact O-N 2.83Å |
| 38 | P | 49 | Very low | 56.6 | Low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | -60.7 | 123.3 | 170.2 | -22.4 | 34.4 | 0 | 0 | 0 | 110.5 | K36 I40 | K36-P38 WeakPolarHBondContact O-CD 3.29Å; P38-I40 PolarHBondContact O-N 2.84Å | ||
| 39 | G | 41.7 | Very low | 54.2 | Low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | trans | -72.1 | 115.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S37 P41 | S37-G39 PolarHBondContact O-N 2.83Å; G39-P41 WeakPolarHBondContact O-CD 3.48Å | ||
| 40 | I | 41.4 | Very low | 52.5 | Low | 154 Ų | 154 | 130.1 Ų | 130.1 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | trans | -82.6 | 113.1 | 176.7 | -59.5 | 171.3 | 0 | 0 | 0 | 109.7 | P38 A42 | P38-I40 PolarHBondContact O-N 2.84Å; I40-A42 PolarHBondContact O-N 3.19Å | ||
| 41 | P | 37.9 | Very low | 49.9 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -78.1 | 106.6 | 162.8 | 32.1 | -31.7 | 0 | 0 | 0 | 109.1 | G39 G43 | G39-P41 WeakPolarHBondContact O-CD 3.48Å; P41-G43 PolarHBondContact O-N 3.43Å; P41-G43 VanDerWaalsContact O-N 3.15Å | ||
| 42 | A | 35.3 | Very low | 47.4 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | trans | -69.3 | 109.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I40 | I40-A42 PolarHBondContact O-N 3.19Š| ||
| 43 | G | 32.9 | Very low | 45.2 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | trans | -171.2 | 107.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | P41 | P41-G43 PolarHBondContact O-N 3.43Å; P41-G43 VanDerWaalsContact O-N 3.15Å | ||
| 44 | A | 30.1 | Very low | 43.3 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | trans | 58.4 | 95 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 45 | N | 41.9 | Very low | 42.3 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | 62.5 | 120.4 | 115 | -87.5 | -63.5 | 0 | 0 | 0 | 122.4 | |||||
| 46 | R | 40.8 | Very low | 40.6 | Very low | 209 Ų | 209 | 119.8 Ų | 119.8 | 79% | 0.789 | 72% | 0.717 | S | S | * | * | trans | 90.6 | 100.2 | 130.2 | -68.1 | 164 | 68.1 | 143.9 | 0.9 | 121.6 | ||||
| 47 | K | 40.4 | Very low | 39 | Very low | 173 Ų | 173 | 120.1 Ų | 120.1 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | 85.1 | 93.2 | 104.3 | -165.1 | -178.7 | -176.1 | 178.2 | 0 | 119.6 | |||||
| 48 | K | 53.6 | Low | 38.3 | Very low | 186 Ų | 186 | 121 Ų | 121 | 81% | 0.809 | 74% | 0.742 | S | S | * | * | trans | 66.6 | 129.7 | 134.6 | -65.6 | -163.4 | 172 | -161.8 | 0 | 121.9 | ||||
| 49 | K | 38.6 | Very low | 37.4 | Very low | 125 Ų | 125 | 122 Ų | 122 | 54% | 0.543 | 75% | 0.746 | S | S | . | * | 107.8 | 121.8 | 121.5 | -105.3 | -162.4 | 79.7 | 128.5 | 0 | 121.3 | E198 | K49-E198 IonicContact NZ-OE1 2.6Å; K49-E198 PolarHBondContact NZ-OE1 2.98Å | |||
| 50 | V | 46.8 | Very low | 37.2 | Very low | 83 Ų | 83 | 123.6 Ų | 123.6 | 50% | 0.503 | 75% | 0.745 | S | S | . | * | trans | 66.1 | 119.5 | 144.7 | -69.9 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 51 | N | 31.4 | Very low | 36.7 | Very low | 100 Ų | 100 | 120.2 Ų | 120.2 | 54% | 0.535 | 75% | 0.749 | S | S | . | * | 101 | 136.1 | 116.1 | -77.8 | 12 | 0 | 0 | 0 | 123.7 | N194 Q197 | N51-N194 PolarHBondContact ND2-OD1 2.89Å; N51-Q197 PolarHBondContact ND2-OE1 3.32Å | |||
| 52 | G | 27.9 | Very low | 36.2 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | 98.6 | 128.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 53 | S | 32.8 | Very low | 36.3 | Very low | 122 Ų | 122 | 124 Ų | 124 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | cis | -156.8 | 160.7 | -11.5 | -85.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 54 | S | 35.9 | Very low | 36.3 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -62.8 | 168 | 170.2 | -46.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 55 | P | 48.8 | Very low | 37 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | -122.5 | 144.4 | 108 | 35.2 | -33.8 | 0 | 0 | 0 | 113.2 | |||||
| 56 | D | 33.5 | Very low | 37.5 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -76.9 | 154 | 172.4 | -54.4 | -83.7 | 0 | 0 | 0 | 111.9 | ||||
| 57 | T | 29.1 | Very low | 37 | Very low | 147 Ų | 147 | 123.6 Ų | 123.6 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -148.9 | 105.6 | 150.7 | -62.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 58 | A | 33.3 | Very low | 36.8 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -97.3 | 162.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 59 | T | 30.5 | Very low | 36.2 | Very low | 138 Ų | 138 | 120 Ų | 120 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | trans | 124.3 | 130.6 | 173.6 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 60 | S | 37.5 | Very low | 36.4 | Very low | 107 Ų | 107 | 119 Ų | 119 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | cis | -170.6 | 149 | -20.7 | 57.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 61 | G | 30.8 | Very low | 36.2 | Very low | 84 Ų | 84 | 121.7 Ų | 121.7 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | 77.8 | 171.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 62 | G | 28.2 | Very low | 36.7 | Very low | 78 Ų | 78 | 120.1 Ų | 120.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 104 | 56.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 63 | Y | 38.1 | Very low | 37.2 | Very low | 223 Ų | 223 | 124.8 Ų | 124.8 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | -64.5 | 134.8 | 147.5 | -74.2 | -89.2 | 0 | 0 | 0 | 108.2 | ||||
| 64 | H | 32.8 | Very low | 37.7 | Very low | 189 Ų | 189 | 130.2 Ų | 130.2 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | 179.9 | 110.4 | 140.2 | -86.7 | -48.7 | 0 | 0 | 0 | 111 | ||||
| 65 | S | 45 | Very low | 37.7 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -88.9 | 148.1 | 145.1 | -49.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 66 | P | 52.1 | Low | 37.7 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | -145.1 | 177.2 | 75.5 | 39.9 | -23 | 0 | 0 | 0 | 114.6 | |||||
| 67 | G | 30.9 | Very low | 38.3 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | 174.9 | 62.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 68 | D | 34.8 | Very low | 39.2 | Very low | 165 Ų | 165 | 134 Ų | 134 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | -64.7 | 135.9 | 166.9 | -77 | -60.5 | 0 | 0 | 0 | 111.3 | ||||
| 69 | S | 42.1 | Very low | 39.8 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -159.5 | 85.8 | 165.3 | -80 | 0 | 0 | 0 | 0 | 110.7 | T71 | S69-T71 PolarHBondContact O-N 3.43Š| ||
| 70 | A | 42.3 | Very low | 40.9 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -79.8 | 110.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 71 | T | 42.8 | Very low | 41.6 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -140.6 | 111.9 | 161.9 | -55.6 | 0 | 0 | 0 | 0 | 107.5 | S69 | S69-T71 PolarHBondContact O-N 3.43Š| ||
| 72 | G | 40.7 | Very low | 43 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -89.5 | 166.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 73 | I | 40.2 | Very low | 44.7 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -160.8 | 138.6 | 152.6 | -104.4 | 153.9 | 0 | 0 | 0 | 107.4 | ||||
| 74 | Y | 41.9 | Very low | 46.3 | Very low | 236 Ų | 236 | 124.8 Ų | 124.8 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | trans | -72.6 | 133.9 | 170.5 | -94.3 | -102.9 | 0 | 0 | 0 | 109.7 | ||||
| 75 | G | 36.8 | Very low | 48.4 | Very low | 69 Ų | 69 | 121.1 Ų | 121.1 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | -165.1 | 55.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G77 | G75-G77 PolarHBondContact O-N 3.06Š| ||
| 76 | E | 47.9 | Very low | 50.1 | Low | 203 Ų | 203 | 119.9 Ų | 119.9 | 95% | 0.949 | 73% | 0.725 | S | S | * | * | trans | -66.3 | 116.2 | 167.7 | -71.4 | -168.2 | 114.5 | 0 | 0 | 110.3 | ||||
| 77 | G | 46.8 | Very low | 51.4 | Low | 67 Ų | 67 | 117.9 Ų | 117.9 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 174.1 | 92.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G75 A79 | G75-G77 PolarHBondContact O-N 3.06Å; G77-A79 PolarHBondContact O-N 3.22Å |
| 78 | R | 48 | Very low | 54 | Low | 252 Ų | 252 | 120.4 Ų | 120.4 | 95% | 0.951 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 71.6 | 12.8 | 158.3 | -142.1 | -176.7 | -166.5 | -157.8 | 3.2 | 118.9 | ||
| 79 | A | 45.2 | Very low | 56.4 | Low | 68 Ų | 68 | 116 Ų | 116 | 56% | 0.562 | 68% | 0.681 | S | S | * | * | trans | -78.5 | -27.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G77 S81 T82 | G77-A79 PolarHBondContact O-N 3.22Å; A79-S81 PolarHBondContact O-N 3.25Å; A79-T82 PolarHBondContact O-N 3.09Å; A79-T82 PolarHBondContact O-OG1 2.95Å | ||
| 80 | S | 54.1 | Low | 58.5 | Low | 96 Ų | 96 | 115.6 Ų | 115.6 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -4.8 | -165.1 | -34.5 | 0 | 0 | 0 | 0 | 116.5 | ||
| 81 | S | 52.8 | Low | 60.5 | Low | 78 Ų | 78 | 118.2 Ų | 118.2 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -26.5 | -177.7 | -169.4 | 0 | 0 | 0 | 0 | 113.6 | A79 Q85 | A79-S81 PolarHBondContact O-N 3.25Å; S81-Q85 WeakPolarHBondContact O-CG 3.33Å |
| 82 | T | 59 | Low | 62.8 | Low | 83 Ų | 83 | 117.6 Ų | 117.6 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -80.1 | -46.2 | 178.2 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | A79 L84 Q85 D86 | A79-T82 PolarHBondContact O-N 3.09Å; A79-T82 PolarHBondContact O-OG1 2.95Å; T82-L84 PolarHBondContact O-N 2.95Å; T82-L84 VanDerWaalsContact O-N 3.16Å; T82-Q85 CarbonylContact O-C 3.58Å; T82-Q85 PolarHBondContact O-N 3.38Å; T82-D86 VanDerWaalsContact O-CG 3.24Å; T82-D86 PolarHBondContact O-N 2.81Å |
| 83 | T | 63.8 | Low | 65 | Low | 88 Ų | 88 | 121.2 Ų | 121.2 | 54% | 0.54 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -58.7 | -32.2 | -179.5 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | L87 | T83-L87 WeakPolarHBondContact O-CB 3.33Å; T83-L87 PolarHBondContact O-N 2.74Å; T83-L87 VanDerWaalsContact O-N 3.16Å |
| 84 | L | 71.8 | Confident | 67.3 | Low | 110 Ų | 110 | 118.3 Ų | 118.3 | 58% | 0.576 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.2 | -43 | 174.4 | -165.1 | 157.4 | 0 | 0 | 0 | 111.4 | T82 L87 E88 | T82-L84 PolarHBondContact O-N 2.95Å; T82-L84 VanDerWaalsContact O-N 3.16Å; L84-L87 PolarHBondContact O-N 2.86Å; L84-E88 WeakPolarHBondContact O-CB 3.43Å; L84-E88 PolarHBondContact O-N 2.95Å |
| 85 | Q | 77.6 | Confident | 69.3 | Low | 111 Ų | 111 | 109 Ų | 109 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69 | -34.9 | 177.3 | -71.1 | -177.8 | -29.7 | 0 | 0 | 112.6 | S81 T82 S89 | S81-Q85 WeakPolarHBondContact O-CG 3.33Å; T82-Q85 CarbonylContact O-C 3.58Å; T82-Q85 PolarHBondContact O-N 3.38Å; Q85-S89 VanDerWaalsContact O-CB 3.29Å; Q85-S89 WeakPolarHBondContact O-CB 3.4Å; Q85-S89 PolarHBondContact O-N 2.89Å; Q85-S89 PolarHBondContact O-OG 2.84Å |
| 86 | D | 80.4 | Confident | 71.7 | Confident | 91 Ų | 91 | 109.8 Ų | 109.8 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63 | -44.2 | 172.8 | -64 | -37.2 | 0 | 0 | 0 | 110.6 | T82 S89 Q90 | T82-D86 VanDerWaalsContact O-CG 3.24Å; T82-D86 PolarHBondContact O-N 2.81Å; D86-S89 PolarHBondContact O-N 3.31Å; D86-Q90 WeakPolarHBondContact O-CG 3.39Å; D86-Q90 PolarHBondContact O-N 2.89Å |
| 87 | L | 80.1 | Confident | 73.5 | Confident | 89 Ų | 89 | 102.5 Ų | 102.5 | 47% | 0.466 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.8 | -42.9 | 177.5 | -165.9 | 76.3 | 0 | 0 | 0 | 112.2 | T83 L84 S89 Q90 Y91 | T83-L87 WeakPolarHBondContact O-CB 3.33Å; T83-L87 PolarHBondContact O-N 2.74Å; T83-L87 VanDerWaalsContact O-N 3.16Å; L84-L87 PolarHBondContact O-N 2.86Å; L87-S89 VanDerWaalsContact C-N 3.31Å; L87-S89 PolarHBondContact O-N 3.45Å; L87-Q90 PolarHBondContact O-N 3.32Å; L87-Y91 HydrophobicContact CD1-CE2 4.26Å; L87-Y91 HydrophobicContact CD2-CE2 4.07Å; L87-Y91 HydrophobicContact CG-CD2 4.09Å; L87-Y91 HydrophobicContact CG-CE2 3.79Å; L87-Y91 VanDerWaalsContact O-CD2 3.24Å; L87-Y91 WeakPolarHBondContact O-CD2 3.24Å; L87-Y91 PolarHBondContact O-N 2.86Å |
| 88 | E | 85.4 | Confident | 75.5 | Confident | 126 Ų | 126 | 105.2 Ų | 105.2 | 59% | 0.589 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.8 | -40.9 | 174.6 | -174.9 | 171.5 | -152.6 | 0 | 0 | 111.3 | L84 Y91 Q92 | L84-E88 WeakPolarHBondContact O-CB 3.43Å; L84-E88 PolarHBondContact O-N 2.95Å; E88-Y91 PolarHBondContact O-N 3.14Å; E88-Q92 WeakPolarHBondContact O-CB 3.33Å; E88-Q92 PolarHBondContact O-N 3.28Å |
| 89 | S | 84 | Confident | 77.5 | Confident | 73 Ų | 73 | 98.9 Ų | 98.9 | 51% | 0.51 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 175.1 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | Q85 D86 L87 Q92 E93 | Q85-S89 VanDerWaalsContact O-CB 3.29Å; Q85-S89 WeakPolarHBondContact O-CB 3.4Å; Q85-S89 PolarHBondContact O-N 2.89Å; Q85-S89 PolarHBondContact O-OG 2.84Å; D86-S89 PolarHBondContact O-N 3.31Å; L87-S89 VanDerWaalsContact C-N 3.31Å; L87-S89 PolarHBondContact O-N 3.45Å; S89-Q92 PolarHBondContact O-N 2.9Å; S89-E93 WeakPolarHBondContact O-CB 3.34Å; S89-E93 PolarHBondContact O-N 3.47Å |
| 90 | Q | 86.6 | Confident | 79.6 | Confident | 109 Ų | 109 | 98.5 Ų | 98.5 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 175.6 | -73.2 | 171.7 | 25.5 | 0 | 0 | 112.2 | D86 L87 Q92 E93 L94 | D86-Q90 WeakPolarHBondContact O-CG 3.39Å; D86-Q90 PolarHBondContact O-N 2.89Å; L87-Q90 PolarHBondContact O-N 3.32Å; Q90-Q92 VanDerWaalsContact C-N 3.32Å; Q90-Q92 PolarHBondContact O-N 3.19Å; Q90-E93 PolarHBondContact O-N 3.4Å; Q90-L94 WeakPolarHBondContact O-CB 3.26Å; Q90-L94 VanDerWaalsContact O-CG 3.28Å; Q90-L94 WeakPolarHBondContact O-CG 3.47Å; Q90-L94 PolarHBondContact O-N 2.93Å |
| 91 | Y | 84.6 | Confident | 81.2 | Confident | 161 Ų | 161 | 96.5 Ų | 96.5 | 63% | 0.631 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64 | -37.3 | 173.9 | -80.7 | -61.6 | 0 | 0 | 0 | 112.5 | L87 E88 A95 | L87-Y91 HydrophobicContact CD1-CE2 4.26Å; L87-Y91 HydrophobicContact CD2-CE2 4.07Å; L87-Y91 HydrophobicContact CG-CD2 4.09Å; L87-Y91 HydrophobicContact CG-CE2 3.79Å; L87-Y91 VanDerWaalsContact O-CD2 3.24Å; L87-Y91 WeakPolarHBondContact O-CD2 3.24Å; L87-Y91 PolarHBondContact O-N 2.86Å; E88-Y91 PolarHBondContact O-N 3.14Å; Y91-A95 WeakPolarHBondContact O-CB 3.42Å; Y91-A95 PolarHBondContact O-N 2.86Å |
| 92 | Q | 90 | Very high | 83 | Confident | 125 Ų | 125 | 95.9 Ų | 95.9 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.3 | -36.2 | 177.5 | -172.3 | 55.7 | 75.3 | 0 | 0 | 112.5 | E88 S89 Q90 V96 | E88-Q92 WeakPolarHBondContact O-CB 3.33Å; E88-Q92 PolarHBondContact O-N 3.28Å; S89-Q92 PolarHBondContact O-N 2.9Å; Q90-Q92 VanDerWaalsContact C-N 3.32Å; Q90-Q92 PolarHBondContact O-N 3.19Å; Q92-V96 WeakPolarHBondContact O-CG2 3.36Å; Q92-V96 PolarHBondContact O-N 3.43Å |
| 93 | E | 87.3 | Confident | 84.5 | Confident | 145 Ų | 145 | 94.7 Ų | 94.7 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.9 | -45.7 | 172.8 | -174.9 | 172.4 | -166.6 | 0 | 0 | 111.4 | S89 Q90 A95 V96 A97 | S89-E93 WeakPolarHBondContact O-CB 3.34Å; S89-E93 PolarHBondContact O-N 3.47Å; Q90-E93 PolarHBondContact O-N 3.4Å; E93-A95 VanDerWaalsContact C-N 3.31Å; E93-A95 PolarHBondContact O-N 2.91Å; E93-V96 PolarHBondContact O-N 3.43Å; E93-A97 WeakPolarHBondContact O-CB 3.29Å; E93-A97 PolarHBondContact O-N 3.03Å |
| 94 | L | 88.3 | Confident | 85.8 | Confident | 104 Ų | 104 | 95.4 Ų | 95.4 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 175.4 | -73.7 | 170.3 | 0 | 0 | 0 | 112.5 | Q90 A97 L98 | Q90-L94 WeakPolarHBondContact O-CB 3.26Å; Q90-L94 VanDerWaalsContact O-CG 3.28Å; Q90-L94 WeakPolarHBondContact O-CG 3.47Å; Q90-L94 PolarHBondContact O-N 2.93Å; L94-A97 PolarHBondContact O-N 3.24Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 2.91Å |
| 95 | A | 84.8 | Confident | 86.5 | Confident | 40 Ų | 40 | 94.8 Ų | 94.8 | 33% | 0.331 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y91 E93 A97 L98 D99 | Y91-A95 WeakPolarHBondContact O-CB 3.42Å; Y91-A95 PolarHBondContact O-N 2.86Å; E93-A95 VanDerWaalsContact C-N 3.31Å; E93-A95 PolarHBondContact O-N 2.91Å; A95-A97 VanDerWaalsContact C-N 3.34Å; A95-A97 PolarHBondContact O-N 3.09Å; A95-L98 PolarHBondContact O-N 3.24Å; A95-D99 PolarHBondContact O-N 2.92Å |
| 96 | V | 87.3 | Confident | 86.9 | Confident | 87 Ų | 87 | 92.5 Ų | 92.5 | 53% | 0.527 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.5 | -34.4 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | Q92 E93 S100 | Q92-V96 WeakPolarHBondContact O-CG2 3.36Å; Q92-V96 PolarHBondContact O-N 3.43Å; E93-V96 PolarHBondContact O-N 3.43Å; V96-S100 WeakPolarHBondContact O-CB 3.41Å; V96-S100 PolarHBondContact O-N 3.46Å; V96-S100 PolarHBondContact O-OG 3.1Å |
| 97 | A | 85.8 | Confident | 87.5 | Confident | 49 Ų | 49 | 93 Ų | 93 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E93 L94 A95 S100 S101 | E93-A97 WeakPolarHBondContact O-CB 3.29Å; E93-A97 PolarHBondContact O-N 3.03Å; L94-A97 PolarHBondContact O-N 3.24Å; A95-A97 VanDerWaalsContact C-N 3.34Å; A95-A97 PolarHBondContact O-N 3.09Å; A97-S100 WeakPolarHBondContact CA-OG 3.4Å; A97-S100 PolarHBondContact O-OG 3.41Å; A97-S100 VanDerWaalsContact O-OG 3.12Å; A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 2.93Å |
| 98 | L | 87.6 | Confident | 87.9 | Confident | 125 Ų | 125 | 93.4 Ų | 93.4 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68 | -44.5 | 175.4 | -72.9 | 167.8 | 0 | 0 | 0 | 112.3 | L94 A95 S101 S102 | L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 2.91Å; A95-L98 PolarHBondContact O-N 3.24Å; L98-S101 PolarHBondContact O-N 3.01Å; L98-S102 WeakPolarHBondContact O-CB 3.25Å; L98-S102 PolarHBondContact O-N 3.06Å |
| 99 | D | 91.1 | Very high | 88.1 | Confident | 119 Ų | 119 | 90.7 Ų | 90.7 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.5 | -42.2 | 178 | -79.6 | -23.9 | 0 | 0 | 0 | 112.1 | A95 S102 A103 | A95-D99 PolarHBondContact O-N 2.92Å; D99-S102 WeakPolarHBondContact O-CB 3.36Å; D99-S102 PolarHBondContact O-N 3.1Å; D99-A103 PolarHBondContact O-N 2.6Å |
| 100 | S | 90 | Very high | 88.6 | Confident | 59 Ų | 59 | 93.3 Ų | 93.3 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 176.1 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | V96 A97 A103 I104 | V96-S100 WeakPolarHBondContact O-CB 3.41Å; V96-S100 PolarHBondContact O-N 3.46Å; V96-S100 PolarHBondContact O-OG 3.1Å; A97-S100 WeakPolarHBondContact CA-OG 3.4Å; A97-S100 PolarHBondContact O-OG 3.41Å; A97-S100 VanDerWaalsContact O-OG 3.12Å; S100-A103 PolarHBondContact O-N 3.05Å; S100-I104 WeakPolarHBondContact O-CG1 3.42Å; S100-I104 PolarHBondContact O-N 3.32Å |
| 101 | S | 87.9 | Confident | 89 | Confident | 55 Ų | 55 | 92.1 Ų | 92.1 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 170.6 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | A97 L98 A103 I104 I105 | A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 2.93Å; L98-S101 PolarHBondContact O-N 3.01Å; S101-A103 VanDerWaalsContact C-N 3.33Å; S101-A103 PolarHBondContact O-N 2.85Å; S101-I104 PolarHBondContact O-N 3.34Å; S101-I105 WeakPolarHBondContact O-CB 3.31Å; S101-I105 VanDerWaalsContact O-CG1 3.26Å; S101-I105 WeakPolarHBondContact O-CG1 3.38Å; S101-I105 PolarHBondContact O-N 3.14Å |
| 102 | S | 89.9 | Confident | 89.3 | Confident | 65 Ų | 65 | 89.4 Ų | 89.4 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.6 | -41.3 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | L98 D99 S106 | L98-S102 WeakPolarHBondContact O-CB 3.25Å; L98-S102 PolarHBondContact O-N 3.06Å; D99-S102 WeakPolarHBondContact O-CB 3.36Å; D99-S102 PolarHBondContact O-N 3.1Å; S102-S106 WeakPolarHBondContact O-CB 3.38Å; S102-S106 PolarHBondContact O-N 3.3Å; S102-S106 PolarHBondContact O-OG 3.08Å |
| 103 | A | 90.4 | Very high | 89.4 | Confident | 58 Ų | 58 | 86.9 Ų | 86.9 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D99 S100 S101 S106 Q107 | D99-A103 PolarHBondContact O-N 2.6Å; S100-A103 PolarHBondContact O-N 3.05Å; S101-A103 VanDerWaalsContact C-N 3.33Å; S101-A103 PolarHBondContact O-N 2.85Å; A103-S106 PolarHBondContact O-N 3.36Å; A103-Q107 PolarHBondContact O-N 3.06Å |
| 104 | I | 91.4 | Very high | 89.7 | Confident | 103 Ų | 103 | 82.7 Ų | 82.7 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 176.7 | -68.2 | 163.8 | 0 | 0 | 0 | 110.9 | S100 S101 S106 Q107 L108 | S100-I104 WeakPolarHBondContact O-CG1 3.42Å; S100-I104 PolarHBondContact O-N 3.32Å; S101-I104 PolarHBondContact O-N 3.34Å; I104-S106 VanDerWaalsContact C-N 3.29Å; I104-S106 PolarHBondContact O-N 3.48Å; I104-Q107 PolarHBondContact O-N 2.91Å; I104-L108 HydrophobicContact CG2-CD1 3.92Å; I104-L108 HydrophobicContact CG2-CG 4.45Å; I104-L108 WeakPolarHBondContact O-CB 3.39Å; I104-L108 WeakPolarHBondContact O-CG 3.47Å; I104-L108 PolarHBondContact O-N 2.94Å |
| 105 | I | 85.9 | Confident | 89.9 | Confident | 97 Ų | 97 | 83.4 Ų | 83.4 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 176.2 | -69.4 | 163.6 | 0 | 0 | 0 | 110.4 | S101 T109 | S101-I105 WeakPolarHBondContact O-CB 3.31Å; S101-I105 VanDerWaalsContact O-CG1 3.26Å; S101-I105 WeakPolarHBondContact O-CG1 3.38Å; S101-I105 PolarHBondContact O-N 3.14Å; I105-T109 VanDerWaalsContact O-CB 3.3Å; I105-T109 WeakPolarHBondContact O-CB 3.41Å; I105-T109 PolarHBondContact O-N 3.41Å; I105-T109 PolarHBondContact O-OG1 3.05Å |
| 106 | S | 86.4 | Confident | 90.2 | Very high | 63 Ų | 63 | 85.7 Ų | 85.7 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | S102 A103 I104 L108 T109 E110 | S102-S106 WeakPolarHBondContact O-CB 3.38Å; S102-S106 PolarHBondContact O-N 3.3Å; S102-S106 PolarHBondContact O-OG 3.08Å; A103-S106 PolarHBondContact O-N 3.36Å; I104-S106 VanDerWaalsContact C-N 3.29Å; I104-S106 PolarHBondContact O-N 3.48Å; S106-L108 PolarHBondContact O-N 3.45Å; S106-T109 WeakPolarHBondContact O-CB 3.49Å; S106-T109 PolarHBondContact O-N 3.39Å; S106-T109 VanDerWaalsContact O-N 3.14Å; S106-E110 PolarHBondContact O-N 3.41Å |
| 107 | Q | 93.2 | Very high | 90.3 | Very high | 101 Ų | 101 | 89 Ų | 89 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 179.8 | -174 | 62.8 | 90.7 | 0 | 0 | 112.7 | A103 I104 E110 N111 | A103-Q107 PolarHBondContact O-N 3.06Å; I104-Q107 PolarHBondContact O-N 2.91Å; Q107-E110 PolarHBondContact O-N 3.31Å; Q107-N111 VanDerWaalsContact O-CG 3.24Å; Q107-N111 PolarHBondContact O-N 3.29Å; Q107-N111 VanDerWaalsContact O-N 3.08Å; Q107-N111 PolarHBondContact O-ND2 2.94Å |
| 108 | L | 89 | Confident | 90.4 | Very high | 97 Ų | 97 | 90 Ų | 90 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 173.7 | -70.5 | 171.9 | 0 | 0 | 0 | 111.4 | I104 S106 E110 N111 I112 | I104-L108 HydrophobicContact CG2-CD1 3.92Å; I104-L108 HydrophobicContact CG2-CG 4.45Å; I104-L108 WeakPolarHBondContact O-CB 3.39Å; I104-L108 WeakPolarHBondContact O-CG 3.47Å; I104-L108 PolarHBondContact O-N 2.94Å; S106-L108 PolarHBondContact O-N 3.45Å; L108-E110 PolarHBondContact O-N 2.96Å; L108-N111 PolarHBondContact O-N 3.27Å; L108-I112 VanDerWaalsContact O-CG1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 3.4Å; L108-I112 PolarHBondContact O-N 3.48Å |
| 109 | T | 89.4 | Confident | 90.3 | Very high | 69 Ų | 69 | 86.5 Ų | 86.5 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 176.1 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | I105 S106 N113 | I105-T109 VanDerWaalsContact O-CB 3.3Å; I105-T109 WeakPolarHBondContact O-CB 3.41Å; I105-T109 PolarHBondContact O-N 3.41Å; I105-T109 PolarHBondContact O-OG1 3.05Å; S106-T109 WeakPolarHBondContact O-CB 3.49Å; S106-T109 PolarHBondContact O-N 3.39Å; S106-T109 VanDerWaalsContact O-N 3.14Å; T109-N113 WeakPolarHBondContact O-CB 3.41Å; T109-N113 PolarHBondContact O-N 3.09Å; T109-N113 PolarHBondContact O-ND2 3.42Å |
| 110 | E | 94.3 | Very high | 90.1 | Very high | 128 Ų | 128 | 87.6 Ų | 87.6 | 60% | 0.598 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 175.1 | -71.4 | -169.2 | 164.6 | 0 | 0 | 112.7 | S106 Q107 L108 N113 S114 | S106-E110 PolarHBondContact O-N 3.41Å; Q107-E110 PolarHBondContact O-N 3.31Å; L108-E110 PolarHBondContact O-N 2.96Å; E110-N113 CarbonylContact O-C 3.59Å; E110-N113 PolarHBondContact O-N 3.34Å; E110-S114 PolarHBondContact O-N 3.08Å |
| 111 | N | 94.9 | Very high | 90.1 | Very high | 84 Ų | 84 | 88.8 Ų | 88.8 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 178.7 | -71.6 | -18.3 | 0 | 0 | 0 | 112.3 | Q107 L108 N113 S114 L115 | Q107-N111 VanDerWaalsContact O-CG 3.24Å; Q107-N111 PolarHBondContact O-N 3.29Å; Q107-N111 VanDerWaalsContact O-N 3.08Å; Q107-N111 PolarHBondContact O-ND2 2.94Å; L108-N111 PolarHBondContact O-N 3.27Å; N111-N113 VanDerWaalsContact C-N 3.31Å; N111-N113 PolarHBondContact O-N 2.87Å; N111-S114 PolarHBondContact O-N 3.43Å; N111-S114 PolarHBondContact O-OG 3.37Å; N111-L115 PolarHBondContact O-N 3.29Å; N111-L115 VanDerWaalsContact O-N 3.1Å |
| 112 | I | 90.9 | Very high | 90.1 | Very high | 105 Ų | 105 | 91.7 Ų | 91.7 | 54% | 0.538 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 173.5 | -68.5 | 163.7 | 0 | 0 | 0 | 109.9 | L108 S114 L115 V116 | L108-I112 VanDerWaalsContact O-CG1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 3.4Å; L108-I112 PolarHBondContact O-N 3.48Å; I112-S114 VanDerWaalsContact C-N 3.33Å; I112-S114 PolarHBondContact O-N 3.47Å; I112-L115 PolarHBondContact O-N 3.48Å; I112-V116 HydrophobicContact CG2-CG2 4.4Å; I112-V116 WeakPolarHBondContact O-CB 3.44Å; I112-V116 VanDerWaalsContact O-CG2 3.29Å; I112-V116 WeakPolarHBondContact O-CG2 3.48Å; I112-V116 PolarHBondContact O-N 3Å |
| 113 | N | 92.4 | Very high | 90.1 | Very high | 71 Ų | 71 | 94.5 Ų | 94.5 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -27.8 | 177.7 | -83.5 | -68.7 | 0 | 0 | 0 | 113.6 | T109 E110 N111 R117 | T109-N113 WeakPolarHBondContact O-CB 3.41Å; T109-N113 PolarHBondContact O-N 3.09Å; T109-N113 PolarHBondContact O-ND2 3.42Å; E110-N113 CarbonylContact O-C 3.59Å; E110-N113 PolarHBondContact O-N 3.34Å; N111-N113 VanDerWaalsContact C-N 3.31Å; N111-N113 PolarHBondContact O-N 2.87Å; N113-R117 WeakPolarHBondContact O-CD 3.33Å; N113-R117 WeakPolarHBondContact O-CG 3.48Å; N113-R117 PolarHBondContact O-N 2.91Å; N113-R117 PolarHBondContact O-NE 3.03Å; N113-R117 PolarHBondContact O-NH1 2.95Å |
| 114 | S | 93.4 | Very high | 90 | Very high | 57 Ų | 57 | 96.7 Ų | 96.7 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.7 | -45.9 | 173.7 | 76.5 | 0 | 0 | 0 | 0 | 111.2 | E110 N111 I112 V116 R117 T118 | E110-S114 PolarHBondContact O-N 3.08Å; N111-S114 PolarHBondContact O-N 3.43Å; N111-S114 PolarHBondContact O-OG 3.37Å; I112-S114 VanDerWaalsContact C-N 3.33Å; I112-S114 PolarHBondContact O-N 3.47Å; S114-V116 PolarHBondContact O-N 3.25Å; S114-R117 WeakPolarHBondContact O-CB 3.38Å; S114-R117 PolarHBondContact O-N 2.94Å; S114-T118 PolarHBondContact O-N 3.04Å; S114-T118 VanDerWaalsContact O-N 3.08Å |
| 115 | L | 92.6 | Very high | 89.8 | Confident | 120 Ų | 120 | 97.3 Ų | 97.3 | 63% | 0.628 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -37.6 | 178.6 | -173.2 | 61.9 | 0 | 0 | 0 | 113 | N111 I112 R117 T118 S119 | N111-L115 PolarHBondContact O-N 3.29Å; N111-L115 VanDerWaalsContact O-N 3.1Å; I112-L115 PolarHBondContact O-N 3.48Å; L115-R117 VanDerWaalsContact C-N 3.27Å; L115-R117 PolarHBondContact O-N 2.79Å; L115-T118 PolarHBondContact O-N 3.02Å; L115-T118 PolarHBondContact O-OG1 3.28Å; L115-S119 PolarHBondContact O-N 3.41Å; L115-S119 VanDerWaalsContact O-N 3.09Å |
| 116 | V | 91.1 | Very high | 89.9 | Confident | 87 Ų | 87 | 98 Ų | 98 | 53% | 0.527 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -29.5 | 173.3 | 169.4 | 0 | 0 | 0 | 0 | 111.8 | I112 S114 K120 | I112-V116 HydrophobicContact CG2-CG2 4.4Å; I112-V116 WeakPolarHBondContact O-CB 3.44Å; I112-V116 VanDerWaalsContact O-CG2 3.29Å; I112-V116 WeakPolarHBondContact O-CG2 3.48Å; I112-V116 PolarHBondContact O-N 3Å; S114-V116 PolarHBondContact O-N 3.25Å; V116-K120 WeakPolarHBondContact O-CB 3.39Å; V116-K120 PolarHBondContact O-N 3.34Å |
| 117 | R | 88.1 | Confident | 90 | Very high | 157 Ų | 157 | 99.8 Ų | 99.8 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -73.7 | -44.7 | 174.4 | -69.1 | 166.5 | -160 | 128.7 | -4.3 | 111.7 | N113 S114 L115 K120 E121 | N113-R117 WeakPolarHBondContact O-CD 3.33Å; N113-R117 WeakPolarHBondContact O-CG 3.48Å; N113-R117 PolarHBondContact O-N 2.91Å; N113-R117 PolarHBondContact O-NE 3.03Å; N113-R117 PolarHBondContact O-NH1 2.95Å; S114-R117 WeakPolarHBondContact O-CB 3.38Å; S114-R117 PolarHBondContact O-N 2.94Å; L115-R117 VanDerWaalsContact C-N 3.27Å; L115-R117 PolarHBondContact O-N 2.79Å; R117-K120 PolarHBondContact O-N 3.03Å; R117-E121 PolarHBondContact O-N 2.94Å; R117-E121 VanDerWaalsContact O-N 3.09Å |
| 118 | T | 87.9 | Confident | 89.9 | Confident | 71 Ų | 71 | 100.6 Ų | 100.6 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -51.4 | -179.9 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | S114 L115 K120 E121 E122 | S114-T118 PolarHBondContact O-N 3.04Å; S114-T118 VanDerWaalsContact O-N 3.08Å; L115-T118 PolarHBondContact O-N 3.02Å; L115-T118 PolarHBondContact O-OG1 3.28Å; T118-K120 VanDerWaalsContact C-N 3.25Å; T118-K120 PolarHBondContact O-N 3.17Å; T118-E121 WeakPolarHBondContact O-CA 3.45Å; T118-E121 WeakPolarHBondContact O-CB 3.31Å; T118-E121 PolarHBondContact O-N 2.77Å; T118-E122 WeakPolarHBondContact O-CG 3.16Å; T118-E122 PolarHBondContact O-N 2.95Å |
| 119 | S | 85.5 | Confident | 90 | Very high | 50 Ų | 50 | 100.8 Ų | 100.8 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -33.3 | 179 | -173.2 | 0 | 0 | 0 | 0 | 113 | L115 E121 E122 K123 | L115-S119 PolarHBondContact O-N 3.41Å; L115-S119 VanDerWaalsContact O-N 3.09Å; S119-E121 VanDerWaalsContact C-N 3.33Å; S119-E122 WeakPolarHBondContact CA-OE2 3.41Å; S119-K123 WeakPolarHBondContact O-CG 3.37Å; S119-K123 PolarHBondContact O-N 3.43Å |
| 120 | K | 87.7 | Confident | 89.9 | Confident | 143 Ų | 143 | 102.4 Ų | 102.4 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.9 | -30 | 173.2 | -177.1 | 179 | 179.6 | -174.8 | 0 | 112.8 | V116 R117 T118 K124 | V116-K120 WeakPolarHBondContact O-CB 3.39Å; V116-K120 PolarHBondContact O-N 3.34Å; R117-K120 PolarHBondContact O-N 3.03Å; T118-K120 VanDerWaalsContact C-N 3.25Å; T118-K120 PolarHBondContact O-N 3.17Å; K120-K124 WeakPolarHBondContact O-CG 3.12Å; K120-K124 PolarHBondContact O-N 3.49Å |
| 121 | E | 89 | Confident | 89.6 | Confident | 83 Ų | 83 | 101 Ų | 101 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -77.6 | -43.2 | 175.7 | -153.1 | 60.7 | -129.5 | 0 | 0 | 111.2 | R117 T118 S119 K123 K124 H125 | R117-E121 PolarHBondContact O-N 2.94Å; R117-E121 VanDerWaalsContact O-N 3.09Å; T118-E121 WeakPolarHBondContact O-CA 3.45Å; T118-E121 WeakPolarHBondContact O-CB 3.31Å; T118-E121 PolarHBondContact O-N 2.77Å; S119-E121 VanDerWaalsContact C-N 3.33Å; E121-K123 VanDerWaalsContact C-N 3.35Å; E121-K123 PolarHBondContact O-N 2.73Å; E121-K124 WeakPolarHBondContact O-CB 3.35Å; E121-K124 PolarHBondContact O-N 3.33Å; E121-K124 WeakPolarHBondContact OE1-CD 3.33Å; E121-K124 WeakPolarHBondContact OE1-CE 3.37Å; E121-K124 IonicContact OE1-NZ 3.92Å; E121-K124 PolarHBondContact OE1-NZ 2.86Å; E121-K124 WeakPolarHBondContact OE2-CE 3.47Å; E121-K124 IonicContact OE2-NZ 2.74Å; E121-K124 PolarHBondContact OE2-NZ 3.29Å; E121-H125 PolarHBondContact O-N 2.94Å; E121-H125 VanDerWaalsContact O-N 3.1Å; E121-H125 PolarHBondContact O-ND1 3.23Å |
| 122 | E | 89.4 | Confident | 89.5 | Confident | 117 Ų | 117 | 103.6 Ų | 103.6 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54.5 | -48.8 | 172.7 | -69.7 | 167.5 | 164.3 | 0 | 0 | 111.1 | T118 S119 K124 H125 E126 | T118-E122 WeakPolarHBondContact O-CG 3.16Å; T118-E122 PolarHBondContact O-N 2.95Å; S119-E122 WeakPolarHBondContact CA-OE2 3.41Å; E122-K124 VanDerWaalsContact C-N 3.27Å; E122-K124 PolarHBondContact O-N 3.14Å; E122-H125 CarbonylContact O-C 3.59Å; E122-H125 WeakPolarHBondContact O-CA 3.19Å; E122-H125 WeakPolarHBondContact O-CB 3.48Å; E122-H125 PolarHBondContact O-N 2.91Å; E122-E126 PolarHBondContact O-N 3Å |
| 123 | K | 88.8 | Confident | 89.4 | Confident | 124 Ų | 124 | 104.1 Ų | 104.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -26.8 | 176.9 | -73.4 | -169.8 | 174.8 | -173.4 | 0 | 114.1 | S119 E121 I127 | S119-K123 WeakPolarHBondContact O-CG 3.37Å; S119-K123 PolarHBondContact O-N 3.43Å; E121-K123 VanDerWaalsContact C-N 3.35Å; E121-K123 PolarHBondContact O-N 2.73Å; K123-I127 WeakPolarHBondContact O-CB 3.34Å; K123-I127 WeakPolarHBondContact O-CD1 3.48Å; K123-I127 WeakPolarHBondContact O-CG1 3.39Å; K123-I127 PolarHBondContact O-N 3.44Å |
| 124 | K | 88.7 | Confident | 89.3 | Confident | 104 Ų | 104 | 102.6 Ų | 102.6 | 45% | 0.452 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 168.5 | -66.1 | -177 | -139.5 | 157.1 | 0 | 111.5 | K120 E121 E122 I127 H128 | K120-K124 WeakPolarHBondContact O-CG 3.12Å; K120-K124 PolarHBondContact O-N 3.49Å; E121-K124 WeakPolarHBondContact O-CB 3.35Å; E121-K124 PolarHBondContact O-N 3.33Å; E121-K124 WeakPolarHBondContact OE1-CD 3.33Å; E121-K124 WeakPolarHBondContact OE1-CE 3.37Å; E121-K124 IonicContact OE1-NZ 3.92Å; E121-K124 PolarHBondContact OE1-NZ 2.86Å; E121-K124 WeakPolarHBondContact OE2-CE 3.47Å; E121-K124 IonicContact OE2-NZ 2.74Å; E121-K124 PolarHBondContact OE2-NZ 3.29Å; E122-K124 VanDerWaalsContact C-N 3.27Å; E122-K124 PolarHBondContact O-N 3.14Å; K124-I127 PolarHBondContact O-N 2.87Å; K124-H128 VanDerWaalsContact O-CB 3.31Å; K124-H128 WeakPolarHBondContact O-CB 3.33Å; K124-H128 PolarHBondContact O-N 2.96Å |
| 125 | H | 87 | Confident | 88.9 | Confident | 115 Ų | 115 | 108 Ų | 108 | 53% | 0.532 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 178.8 | -72.3 | 68 | 0 | 0 | 0 | 110.6 | E121 E122 H128 L129 | E121-H125 PolarHBondContact O-N 2.94Å; E121-H125 VanDerWaalsContact O-N 3.1Å; E121-H125 PolarHBondContact O-ND1 3.23Å; E122-H125 CarbonylContact O-C 3.59Å; E122-H125 WeakPolarHBondContact O-CA 3.19Å; E122-H125 WeakPolarHBondContact O-CB 3.48Å; E122-H125 PolarHBondContact O-N 2.91Å; H125-H128 PolarHBondContact O-N 3.02Å; H125-L129 WeakPolarHBondContact O-CB 3.47Å; H125-L129 VanDerWaalsContact O-CG 3.29Å; H125-L129 WeakPolarHBondContact O-CG 3.3Å; H125-L129 PolarHBondContact O-N 3.15Å |
| 126 | E | 87.9 | Confident | 88.6 | Confident | 113 Ų | 113 | 105.2 Ų | 105.2 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -50.9 | 172.1 | -67.4 | -177.4 | 141.6 | 0 | 0 | 112.1 | E122 H128 L129 V130 | E122-E126 PolarHBondContact O-N 3Å; E126-H128 VanDerWaalsContact C-N 3.27Å; E126-H128 PolarHBondContact O-N 3.22Å; E126-L129 PolarHBondContact O-N 2.76Å; E126-L129 VanDerWaalsContact O-N 3.14Å; E126-V130 WeakPolarHBondContact O-CG2 3.28Å; E126-V130 PolarHBondContact O-N 2.98Å |
| 127 | I | 89.7 | Confident | 88.3 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 177.6 | -71.9 | 166.4 | 0 | 0 | 0 | 111 | K123 K124 Q131 | K123-I127 WeakPolarHBondContact O-CB 3.34Å; K123-I127 WeakPolarHBondContact O-CD1 3.48Å; K123-I127 WeakPolarHBondContact O-CG1 3.39Å; K123-I127 PolarHBondContact O-N 3.44Å; K124-I127 PolarHBondContact O-N 2.87Å; I127-Q131 HydrophobicContact CG2-CG 4.48Å; I127-Q131 WeakPolarHBondContact O-CB 3.29Å; I127-Q131 VanDerWaalsContact O-CG 3.25Å; I127-Q131 WeakPolarHBondContact O-CG 3.45Å; I127-Q131 PolarHBondContact O-N 2.97Å |
| 128 | H | 90 | Very high | 87.9 | Confident | 118 Ų | 118 | 105.4 Ų | 105.4 | 55% | 0.546 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 177.1 | -177.7 | -128.7 | 0 | 0 | 0 | 112.5 | K124 H125 E126 Q131 K132 | K124-H128 VanDerWaalsContact O-CB 3.31Å; K124-H128 WeakPolarHBondContact O-CB 3.33Å; K124-H128 PolarHBondContact O-N 2.96Å; H125-H128 PolarHBondContact O-N 3.02Å; E126-H128 VanDerWaalsContact C-N 3.27Å; E126-H128 PolarHBondContact O-N 3.22Å; H128-Q131 PolarHBondContact O-N 2.74Å; H128-K132 VanDerWaalsContact O-CB 3.29Å; H128-K132 WeakPolarHBondContact O-CB 3.32Å; H128-K132 PolarHBondContact O-N 3.34Å |
| 129 | L | 92.1 | Very high | 87.7 | Confident | 102 Ų | 102 | 109 Ų | 109 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 173.5 | -72.7 | 170.4 | 0 | 0 | 0 | 111.3 | H125 E126 Q131 K132 L133 | H125-L129 WeakPolarHBondContact O-CB 3.47Å; H125-L129 VanDerWaalsContact O-CG 3.29Å; H125-L129 WeakPolarHBondContact O-CG 3.3Å; H125-L129 PolarHBondContact O-N 3.15Å; E126-L129 PolarHBondContact O-N 2.76Å; E126-L129 VanDerWaalsContact O-N 3.14Å; L129-Q131 PolarHBondContact O-N 3.12Å; L129-K132 WeakPolarHBondContact O-CB 3.49Å; L129-K132 PolarHBondContact O-N 3.33Å; L129-K132 VanDerWaalsContact O-N 3.16Å; L129-L133 WeakPolarHBondContact O-CB 3.36Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.39Å |
| 130 | V | 86.4 | Confident | 87.2 | Confident | 102 Ų | 102 | 111.9 Ų | 111.9 | 62% | 0.618 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.3 | -42.5 | 176 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | E126 L133 G134 | E126-V130 WeakPolarHBondContact O-CG2 3.28Å; E126-V130 PolarHBondContact O-N 2.98Å; V130-L133 PolarHBondContact O-N 2.86Å; V130-G134 PolarHBondContact O-N 3.45Å |
| 131 | Q | 88.8 | Confident | 86.5 | Confident | 100 Ų | 100 | 112 Ų | 112 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 174.1 | -74.6 | 179.2 | 16.5 | 0 | 0 | 112.7 | I127 H128 L129 R135 | I127-Q131 HydrophobicContact CG2-CG 4.48Å; I127-Q131 WeakPolarHBondContact O-CB 3.29Å; I127-Q131 VanDerWaalsContact O-CG 3.25Å; I127-Q131 WeakPolarHBondContact O-CG 3.45Å; I127-Q131 PolarHBondContact O-N 2.97Å; H128-Q131 PolarHBondContact O-N 2.74Å; L129-Q131 PolarHBondContact O-N 3.12Å; Q131-R135 WeakPolarHBondContact O-CB 3.5Å; Q131-R135 VanDerWaalsContact O-CG 3.24Å; Q131-R135 WeakPolarHBondContact O-CG 3.16Å; Q131-R135 PolarHBondContact O-N 3.4Å |
| 132 | K | 92.3 | Very high | 85.4 | Confident | 137 Ų | 137 | 112 Ų | 112 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.9 | -46 | 175.8 | -173.8 | -179.9 | 179 | -175.1 | 0 | 111 | H128 L129 R135 S136 | H128-K132 VanDerWaalsContact O-CB 3.29Å; H128-K132 WeakPolarHBondContact O-CB 3.32Å; H128-K132 PolarHBondContact O-N 3.34Å; L129-K132 WeakPolarHBondContact O-CB 3.49Å; L129-K132 PolarHBondContact O-N 3.33Å; L129-K132 VanDerWaalsContact O-N 3.16Å; K132-R135 PolarHBondContact O-N 2.99Å; K132-S136 PolarHBondContact O-N 3.38Å; K132-S136 PolarHBondContact O-OG 2.87Å |
| 133 | L | 89.1 | Confident | 84.1 | Confident | 116 Ų | 116 | 113.6 Ų | 113.6 | 61% | 0.607 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.9 | -44.4 | 176.9 | -71.6 | 171.4 | 0 | 0 | 0 | 111.8 | L129 V130 R135 S136 L137 | L129-L133 WeakPolarHBondContact O-CB 3.36Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.39Å; V130-L133 PolarHBondContact O-N 2.86Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.91Å; L133-S136 WeakPolarHBondContact CA-OG 3.47Å; L133-S136 PolarHBondContact O-N 3.25Å; L133-S136 PolarHBondContact O-OG 2.9Å; L133-L137 WeakPolarHBondContact O-CB 3.36Å; L133-L137 PolarHBondContact O-N 3.37Å |
| 134 | G | 89.5 | Confident | 82 | Confident | 40 Ų | 40 | 113.1 Ų | 113.1 | 41% | 0.412 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60 | -40.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V130 L137 F138 | V130-G134 PolarHBondContact O-N 3.45Å; G134-L137 PolarHBondContact O-N 3.16Å; G134-F138 VanDerWaalsContact O-CB 3.26Å; G134-F138 WeakPolarHBondContact O-CB 3.48Å; G134-F138 PolarHBondContact O-N 2.89Å |
| 135 | R | 85.9 | Confident | 79.7 | Confident | 170 Ų | 170 | 111.7 Ų | 111.7 | 64% | 0.642 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.3 | -37.4 | 173.8 | -75.7 | 171.8 | -179.3 | -178.9 | 2.7 | 112.9 | Q131 K132 L133 K139 | Q131-R135 WeakPolarHBondContact O-CB 3.5Å; Q131-R135 VanDerWaalsContact O-CG 3.24Å; Q131-R135 WeakPolarHBondContact O-CG 3.16Å; Q131-R135 PolarHBondContact O-N 3.4Å; K132-R135 PolarHBondContact O-N 2.99Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.91Å; R135-K139 WeakPolarHBondContact O-CG 3.33Å; R135-K139 PolarHBondContact O-N 2.97Å; R135-K139 VanDerWaalsContact O-N 3.1Å |
| 136 | S | 86.6 | Confident | 77.5 | Confident | 61 Ų | 61 | 114 Ų | 114 | 43% | 0.427 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.8 | -40.3 | 173.7 | 41.9 | 0 | 0 | 0 | 0 | 112.7 | K132 L133 K139 L140 | K132-S136 PolarHBondContact O-N 3.38Å; K132-S136 PolarHBondContact O-OG 2.87Å; L133-S136 WeakPolarHBondContact CA-OG 3.47Å; L133-S136 PolarHBondContact O-N 3.25Å; L133-S136 PolarHBondContact O-OG 2.9Å; S136-K139 PolarHBondContact O-N 3.05Å; S136-L140 WeakPolarHBondContact O-CB 3.26Å; S136-L140 PolarHBondContact O-N 2.64Å |
| 137 | L | 83.4 | Confident | 76.3 | Confident | 120 Ų | 120 | 114.2 Ų | 114.2 | 63% | 0.628 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.3 | -40.1 | 177.8 | -169.1 | 155 | 0 | 0 | 0 | 111.1 | L133 G134 L140 K141 | L133-L137 WeakPolarHBondContact O-CB 3.36Å; L133-L137 PolarHBondContact O-N 3.37Å; G134-L137 PolarHBondContact O-N 3.16Å; L137-L140 PolarHBondContact O-N 3.26Å; L137-K141 WeakPolarHBondContact O-CB 3.36Å; L137-K141 PolarHBondContact O-N 3.24Å |
| 138 | F | 79.3 | Confident | 73.9 | Confident | 129 Ų | 129 | 116.7 Ų | 116.7 | 57% | 0.566 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.7 | -41.4 | 172.7 | -173.8 | -106.9 | 0 | 0 | 0 | 112.4 | G134 N142 | G134-F138 VanDerWaalsContact O-CB 3.26Å; G134-F138 WeakPolarHBondContact O-CB 3.48Å; G134-F138 PolarHBondContact O-N 2.89Å; F138-N142 WeakPolarHBondContact CE1-ND2 3.47Å; F138-N142 WeakPolarHBondContact CZ-ND2 3.36Å; F138-N142 WeakPolarHBondContact O-CB 3.44Å; F138-N142 PolarHBondContact O-N 2.94Å; F138-N142 PolarHBondContact O-ND2 2.86Å; F138-N142 PolarHBondContact O-OD1 3.42Å |
| 139 | K | 83.6 | Confident | 71.6 | Confident | 146 Ų | 146 | 115.5 Ų | 115.5 | 64% | 0.635 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.4 | -47 | 173.2 | -79.2 | 179.3 | 175.6 | -168.8 | 0 | 112.1 | R135 S136 N142 Q143 | R135-K139 WeakPolarHBondContact O-CG 3.33Å; R135-K139 PolarHBondContact O-N 2.97Å; R135-K139 VanDerWaalsContact O-N 3.1Å; S136-K139 PolarHBondContact O-N 3.05Å; K139-N142 PolarHBondContact O-N 3.27Å; K139-Q143 WeakPolarHBondContact O-CG 3.27Å; K139-Q143 PolarHBondContact O-N 2.73Å |
| 140 | L | 75.5 | Confident | 70.1 | Confident | 110 Ų | 110 | 116.8 Ų | 116.8 | 58% | 0.576 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.1 | -49.4 | 178.1 | -173.6 | 68.5 | 0 | 0 | 0 | 110.7 | S136 L137 N142 Q143 T144 | S136-L140 WeakPolarHBondContact O-CB 3.26Å; S136-L140 PolarHBondContact O-N 2.64Å; L137-L140 PolarHBondContact O-N 3.26Å; L140-N142 PolarHBondContact O-N 3.29Å; L140-Q143 CarbonylContact O-C 3.58Å; L140-Q143 WeakPolarHBondContact O-CA 3.5Å; L140-Q143 WeakPolarHBondContact O-CB 3.49Å; L140-Q143 PolarHBondContact O-N 3.19Å; L140-T144 PolarHBondContact O-N 3.25Å; L140-T144 PolarHBondContact O-OG1 3Å |
| 141 | K | 72.6 | Confident | 68.4 | Low | 145 Ų | 145 | 119.7 Ų | 119.7 | 63% | 0.63 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -56.8 | -36.9 | 177.5 | -174.3 | 176.1 | -179.3 | 178.7 | 0 | 112.8 | L137 T144 | L137-K141 WeakPolarHBondContact O-CB 3.36Å; L137-K141 PolarHBondContact O-N 3.24Å; K141-T144 PolarHBondContact O-N 3.49Å |
| 142 | N | 66.3 | Low | 66.5 | Low | 84 Ų | 84 | 120.5 Ų | 120.5 | 45% | 0.449 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -78.3 | -23.7 | 177.8 | -63.2 | -6.2 | 0 | 0 | 0 | 112.7 | F138 K139 L140 T144 | F138-N142 WeakPolarHBondContact CE1-ND2 3.47Å; F138-N142 WeakPolarHBondContact CZ-ND2 3.36Å; F138-N142 WeakPolarHBondContact O-CB 3.44Å; F138-N142 PolarHBondContact O-N 2.94Å; F138-N142 PolarHBondContact O-ND2 2.86Å; F138-N142 PolarHBondContact O-OD1 3.42Å; K139-N142 PolarHBondContact O-N 3.27Å; L140-N142 PolarHBondContact O-N 3.29Å; N142-T144 VanDerWaalsContact C-N 3.34Å |
| 143 | Q | 63.4 | Low | 64.9 | Low | 150 Ų | 150 | 119.7 Ų | 119.7 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.2 | -21.1 | 169.4 | -71.7 | 172.2 | -30.8 | 0 | 0 | 112.4 | K139 L140 A145 | K139-Q143 WeakPolarHBondContact O-CG 3.27Å; K139-Q143 PolarHBondContact O-N 2.73Å; L140-Q143 CarbonylContact O-C 3.58Å; L140-Q143 WeakPolarHBondContact O-CA 3.5Å; L140-Q143 WeakPolarHBondContact O-CB 3.49Å; L140-Q143 PolarHBondContact O-N 3.19Å; Q143-A145 VanDerWaalsContact C-N 3.27Å; Q143-A145 PolarHBondContact O-N 2.97Å |
| 144 | T | 43.8 | Very low | 62.6 | Low | 114 Ų | 114 | 117.2 Ų | 117.2 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 7 | 172.3 | -34.5 | 0 | 0 | 0 | 0 | 113.2 | L140 K141 N142 | L140-T144 PolarHBondContact O-N 3.25Å; L140-T144 PolarHBondContact O-OG1 3Å; K141-T144 PolarHBondContact O-N 3.49Å; N142-T144 VanDerWaalsContact C-N 3.34Å |
| 145 | A | 41 | Very low | 60.8 | Low | 74 Ų | 74 | 117.7 Ų | 117.7 | 61% | 0.612 | 66% | 0.659 | S | S | * | * | trans | -106.9 | 15.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q143 | Q143-A145 VanDerWaalsContact C-N 3.27Å; Q143-A145 PolarHBondContact O-N 2.97Å | ||
| 146 | E | 39.9 | Very low | 59.8 | Low | 163 Ų | 163 | 115.1 Ų | 115.1 | 76% | 0.762 | 66% | 0.664 | S | S | * | * | trans | -101.5 | 115.3 | 175.7 | -172.6 | 166.4 | -166.9 | 0 | 0 | 110.5 | ||||
| 147 | P | 62.7 | Low | 58.5 | Low | 118 Ų | 118 | 116.8 Ų | 116.8 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | trans | -96 | 112.2 | -169.7 | 34 | -32.4 | 0 | 0 | 0 | 113.4 | ||||
| 148 | L | 40.5 | Very low | 57.5 | Low | 152 Ų | 152 | 116.8 Ų | 116.8 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | trans | -145 | 113.1 | 169.5 | -99.8 | 120.2 | 0 | 0 | 0 | 114.4 | ||||
| 149 | A | 40.3 | Very low | 57.1 | Low | 92 Ų | 92 | 114.6 Ų | 114.6 | 76% | 0.76 | 67% | 0.667 | S | S | * | * | trans | 64.5 | 155.3 | 144.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 150 | P | 60.9 | Low | 56.6 | Low | 129 Ų | 129 | 114.2 Ų | 114.2 | 84% | 0.838 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 170.1 | -168 | 35.3 | -37.1 | 0 | 0 | 0 | 116 | ||
| 151 | E | 50.3 | Low | 56.8 | Low | 163 Ų | 163 | 113.7 Ų | 113.7 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 159.3 | -175 | -63.5 | -167.4 | 142.8 | 0 | 0 | 117.6 | ||
| 152 | P | 50.4 | Low | 57.3 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 76% | 0.76 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | -103.6 | 151.1 | 126.3 | 35.3 | -30.9 | 0 | 0 | 0 | 111.9 | |||
| 153 | P | 58.9 | Low | 58.1 | Low | 121 Ų | 121 | 112.2 Ų | 112.2 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 141 | -155.8 | 29.7 | -37.1 | 0 | 0 | 0 | 115.5 | ||
| 154 | A | 40.8 | Very low | 59.2 | Low | 63 Ų | 63 | 110 Ų | 110 | 52% | 0.521 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -78.4 | 138.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.4 | V159 | A154-V159 HydrophobicContact CB-CG2 4.12Š|
| 155 | G | 51.7 | Low | 61.4 | Low | 50 Ų | 50 | 109.5 Ų | 109.5 | 52% | 0.515 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 148 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S157 K158 | G155-S157 VanDerWaalsContact C-N 3.32Å; G155-S157 PolarHBondContact O-N 2.95Å; G155-S157 VanDerWaalsContact O-N 3.11Å; G155-K158 PolarHBondContact O-N 3.38Å |
| 156 | P | 62.9 | Low | 63.7 | Low | 116 Ų | 116 | 109.5 Ų | 109.5 | 75% | 0.753 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -58.2 | -36.6 | -161.2 | 18.8 | -32.3 | 0 | 0 | 0 | 114.9 | K158 V159 E160 | P156-K158 PolarHBondContact O-N 2.87Å; P156-K158 VanDerWaalsContact O-N 3.09Å; P156-V159 PolarHBondContact O-N 2.89Å; P156-E160 PolarHBondContact O-N 3.38Å |
| 157 | S | 60.6 | Low | 66.1 | Low | 97 Ų | 97 | 104.4 Ų | 104.4 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.5 | -22.6 | -174.6 | 172.6 | 0 | 0 | 0 | 0 | 115 | G155 | G155-S157 VanDerWaalsContact C-N 3.32Å; G155-S157 PolarHBondContact O-N 2.95Å; G155-S157 VanDerWaalsContact O-N 3.11Å |
| 158 | K | 62 | Low | 67.5 | Low | 120 Ų | 120 | 104 Ų | 104 | 52% | 0.522 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -86.8 | -26.6 | -179.5 | -159.8 | 66.9 | -169.6 | 161.8 | 0 | 113.5 | G155 P156 L162 | G155-K158 PolarHBondContact O-N 3.38Å; P156-K158 PolarHBondContact O-N 2.87Å; P156-K158 VanDerWaalsContact O-N 3.09Å; K158-L162 WeakPolarHBondContact O-CG 3.26Å; K158-L162 PolarHBondContact O-N 3.01Å |
| 159 | V | 70.9 | Confident | 70.1 | Confident | 82 Ų | 82 | 102.5 Ų | 102.5 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.7 | -43.6 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | A154 P156 Q161 L162 Q163 | A154-V159 HydrophobicContact CB-CG2 4.12Å; P156-V159 PolarHBondContact O-N 2.89Å; V159-Q161 PolarHBondContact O-N 3.27Å; V159-L162 PolarHBondContact O-N 3.05Å; V159-Q163 WeakPolarHBondContact O-CB 3.41Å; V159-Q163 PolarHBondContact O-N 3.16Å |
| 160 | E | 73 | Confident | 72.6 | Confident | 139 Ų | 139 | 105.2 Ų | 105.2 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.2 | -43.6 | 178.9 | -167.5 | 166.5 | -141 | 0 | 0 | 112 | P156 L162 Q163 D164 | P156-E160 PolarHBondContact O-N 3.38Å; E160-L162 PolarHBondContact O-N 3.42Å; E160-Q163 WeakPolarHBondContact O-CB 3.34Å; E160-Q163 PolarHBondContact O-N 3.29Å; E160-D164 PolarHBondContact O-N 3.02Å |
| 161 | Q | 79.4 | Confident | 74.2 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.7 | -42.2 | 175.9 | -174.3 | 171.5 | 54.8 | 0 | 0 | 112.9 | V159 D164 E165 | V159-Q161 PolarHBondContact O-N 3.27Å; Q161-D164 PolarHBondContact O-N 2.96Å; Q161-E165 WeakPolarHBondContact O-CG 3.35Å; Q161-E165 PolarHBondContact O-N 3.29Å |
| 162 | L | 83.3 | Confident | 76.3 | Confident | 93 Ų | 93 | 102.3 Ų | 102.3 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71 | -32 | 176.5 | -71.3 | 169.3 | 0 | 0 | 0 | 112.3 | K158 V159 E160 T166 | K158-L162 WeakPolarHBondContact O-CG 3.26Å; K158-L162 PolarHBondContact O-N 3.01Å; V159-L162 PolarHBondContact O-N 3.05Å; E160-L162 PolarHBondContact O-N 3.42Å; L162-T166 WeakPolarHBondContact O-CB 3.3Å; L162-T166 PolarHBondContact O-N 3.22Å; L162-T166 PolarHBondContact O-OG1 3.2Å |
| 163 | Q | 83.6 | Confident | 78.5 | Confident | 104 Ų | 104 | 103.2 Ų | 103.2 | 49% | 0.486 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.7 | -42.6 | 174.2 | -171.1 | 64.1 | 50.2 | 0 | 0 | 110.6 | V159 E160 T166 N167 | V159-Q163 WeakPolarHBondContact O-CB 3.41Å; V159-Q163 PolarHBondContact O-N 3.16Å; E160-Q163 WeakPolarHBondContact O-CB 3.34Å; E160-Q163 PolarHBondContact O-N 3.29Å; Q163-T166 WeakPolarHBondContact O-CB 3.45Å; Q163-T166 PolarHBondContact O-N 3.08Å; Q163-N167 WeakPolarHBondContact O-CB 3.42Å; Q163-N167 PolarHBondContact O-N 2.91Å; Q163-N167 PolarHBondContact O-ND2 3.24Å; Q163-N167 VanDerWaalsContact O-ND2 3.16Å |
| 164 | D | 86.8 | Confident | 80.2 | Confident | 103 Ų | 103 | 102 Ų | 102 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.6 | -38.1 | 176.9 | -84.3 | -19.3 | 0 | 0 | 0 | 113.7 | E160 Q161 T166 N167 H168 | E160-D164 PolarHBondContact O-N 3.02Å; Q161-D164 PolarHBondContact O-N 2.96Å; D164-T166 VanDerWaalsContact C-N 3.3Å; D164-T166 PolarHBondContact O-N 3.25Å; D164-N167 PolarHBondContact O-N 3.09Å; D164-N167 PolarHBondContact OD1-ND2 2.96Å; D164-H168 WeakPolarHBondContact O-CB 3.47Å; D164-H168 PolarHBondContact O-N 3.41Å |
| 165 | E | 89.1 | Confident | 82.8 | Confident | 105 Ų | 105 | 102 Ų | 102 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 168.9 | -75.4 | 176.8 | 179.8 | 0 | 0 | 111.1 | Q161 N167 H168 L169 | Q161-E165 WeakPolarHBondContact O-CG 3.35Å; Q161-E165 PolarHBondContact O-N 3.29Å; E165-N167 PolarHBondContact O-N 3.05Å; E165-H168 PolarHBondContact O-N 2.98Å; E165-L169 WeakPolarHBondContact O-CB 3.19Å; E165-L169 WeakPolarHBondContact O-CG 3.46Å; E165-L169 PolarHBondContact O-N 3.06Å |
| 166 | T | 89.3 | Confident | 85 | Confident | 74 Ų | 74 | 103.6 Ų | 103.6 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 175.6 | -57.4 | 0 | 0 | 0 | 0 | 112 | L162 Q163 D164 R170 | L162-T166 WeakPolarHBondContact O-CB 3.3Å; L162-T166 PolarHBondContact O-N 3.22Å; L162-T166 PolarHBondContact O-OG1 3.2Å; Q163-T166 WeakPolarHBondContact O-CB 3.45Å; Q163-T166 PolarHBondContact O-N 3.08Å; D164-T166 VanDerWaalsContact C-N 3.3Å; D164-T166 PolarHBondContact O-N 3.25Å; T166-R170 WeakPolarHBondContact O-CB 3.49Å; T166-R170 PolarHBondContact O-N 3.35Å; T166-R170 VanDerWaalsContact O-N 3.09Å |
| 167 | N | 90.4 | Very high | 86.5 | Confident | 55 Ų | 55 | 99.9 Ų | 99.9 | 29% | 0.294 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.7 | -34.3 | 175.8 | -69.2 | -28.7 | 0 | 0 | 0 | 112.3 | Q163 D164 E165 K171 | Q163-N167 WeakPolarHBondContact O-CB 3.42Å; Q163-N167 PolarHBondContact O-N 2.91Å; Q163-N167 PolarHBondContact O-ND2 3.24Å; Q163-N167 VanDerWaalsContact O-ND2 3.16Å; D164-N167 PolarHBondContact O-N 3.09Å; D164-N167 PolarHBondContact OD1-ND2 2.96Å; E165-N167 PolarHBondContact O-N 3.05Å; N167-K171 WeakPolarHBondContact O-CG 3.48Å; N167-K171 PolarHBondContact O-N 3.46Å |
| 168 | H | 92.6 | Very high | 88.2 | Confident | 111 Ų | 111 | 103.8 Ų | 103.8 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.6 | -49.8 | 175.5 | 179.8 | 18.3 | 0 | 0 | 0 | 111.2 | D164 E165 R170 K171 E172 | D164-H168 WeakPolarHBondContact O-CB 3.47Å; D164-H168 PolarHBondContact O-N 3.41Å; E165-H168 PolarHBondContact O-N 2.98Å; H168-R170 PolarHBondContact O-N 3.28Å; H168-K171 WeakPolarHBondContact O-CA 3.45Å; H168-K171 WeakPolarHBondContact O-CB 3.4Å; H168-K171 PolarHBondContact O-N 2.97Å; H168-E172 IonicContact CE1-OE1 3.22Å; H168-E172 PolarHBondContact CE1-OE1 2.9Å; H168-E172 VanDerWaalsContact CE1-OE1 3.22Å; H168-E172 IonicContact ND1-OE1 3.52Å; H168-E172 PolarHBondContact O-N 3.22Å |
| 169 | L | 93.9 | Very high | 89.9 | Confident | 119 Ų | 119 | 104.8 Ų | 104.8 | 62% | 0.623 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.8 | -32.7 | 177.4 | -71 | 171.1 | 0 | 0 | 0 | 112.4 | E165 L173 | E165-L169 WeakPolarHBondContact O-CB 3.19Å; E165-L169 WeakPolarHBondContact O-CG 3.46Å; E165-L169 PolarHBondContact O-N 3.06Å; L169-L173 WeakPolarHBondContact O-CB 3.45Å; L169-L173 PolarHBondContact O-N 2.98Å |
| 170 | R | 93.9 | Very high | 91.1 | Very high | 149 Ų | 149 | 106.3 Ų | 106.3 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.5 | -47 | 169.9 | -178.5 | -173.4 | -62.7 | -89.4 | -0.8 | 112 | T166 H168 L173 E174 | T166-R170 WeakPolarHBondContact O-CB 3.49Å; T166-R170 PolarHBondContact O-N 3.35Å; T166-R170 VanDerWaalsContact O-N 3.09Å; H168-R170 PolarHBondContact O-N 3.28Å; R170-L173 PolarHBondContact O-N 3.42Å; R170-E174 WeakPolarHBondContact O-CG 3.44Å; R170-E174 PolarHBondContact O-N 3.35Å |
| 171 | K | 94.9 | Very high | 92.2 | Very high | 139 Ų | 139 | 104.5 Ų | 104.5 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -39.7 | 178.8 | -67.9 | 167.1 | -174.8 | 173.2 | 0 | 111.8 | N167 H168 E174 S175 | N167-K171 WeakPolarHBondContact O-CG 3.48Å; N167-K171 PolarHBondContact O-N 3.46Å; H168-K171 WeakPolarHBondContact O-CA 3.45Å; H168-K171 WeakPolarHBondContact O-CB 3.4Å; H168-K171 PolarHBondContact O-N 2.97Å; K171-E174 PolarHBondContact O-N 3Å; K171-S175 VanDerWaalsContact O-CB 3.31Å; K171-S175 WeakPolarHBondContact O-CB 3.44Å; K171-S175 PolarHBondContact O-N 3Å |
| 172 | E | 94.5 | Very high | 93 | Very high | 93 Ų | 93 | 102 Ų | 102 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 173.5 | -65.1 | -50.3 | 120.4 | 0 | 0 | 111.6 | H168 E174 S175 V176 | H168-E172 IonicContact CE1-OE1 3.22Å; H168-E172 PolarHBondContact CE1-OE1 2.9Å; H168-E172 VanDerWaalsContact CE1-OE1 3.22Å; H168-E172 IonicContact ND1-OE1 3.52Å; H168-E172 PolarHBondContact O-N 3.22Å; E172-E174 PolarHBondContact O-N 3.5Å; E172-S175 WeakPolarHBondContact O-CB 3.28Å; E172-S175 PolarHBondContact O-N 2.97Å; E172-V176 WeakPolarHBondContact O-CB 3.29Å; E172-V176 WeakPolarHBondContact O-CG2 3.42Å; E172-V176 PolarHBondContact O-N 3.11Å |
| 173 | L | 94.9 | Very high | 93.6 | Very high | 136 Ų | 136 | 102.2 Ų | 102.2 | 71% | 0.712 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -38.8 | 177.3 | -171.7 | 66.4 | 0 | 0 | 0 | 112.3 | L169 R170 G177 | L169-L173 WeakPolarHBondContact O-CB 3.45Å; L169-L173 PolarHBondContact O-N 2.98Å; R170-L173 PolarHBondContact O-N 3.42Å; L173-G177 PolarHBondContact O-N 2.9Å |
| 174 | E | 95.4 | Very high | 94.2 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 172.1 | -75.4 | 179.1 | -146.6 | 0 | 0 | 112.5 | R170 K171 E172 G177 R178 | R170-E174 WeakPolarHBondContact O-CG 3.44Å; R170-E174 PolarHBondContact O-N 3.35Å; K171-E174 PolarHBondContact O-N 3Å; E172-E174 PolarHBondContact O-N 3.5Å; E174-G177 PolarHBondContact O-N 3.47Å; E174-R178 WeakPolarHBondContact O-CG 3.43Å; E174-R178 PolarHBondContact O-N 3Å |
| 175 | S | 96.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 100 Ų | 100 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -53.2 | 177.2 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | K171 E172 G177 R178 Q179 | K171-S175 VanDerWaalsContact O-CB 3.31Å; K171-S175 WeakPolarHBondContact O-CB 3.44Å; K171-S175 PolarHBondContact O-N 3Å; E172-S175 WeakPolarHBondContact O-CB 3.28Å; E172-S175 PolarHBondContact O-N 2.97Å; S175-G177 VanDerWaalsContact C-N 3.26Å; S175-G177 PolarHBondContact O-N 2.88Å; S175-R178 PolarHBondContact O-N 3.4Å; S175-R178 VanDerWaalsContact O-N 3.14Å; S175-Q179 PolarHBondContact O-N 3.45Å |
| 176 | V | 96.4 | Very high | 95.1 | Very high | 83 Ų | 83 | 98.5 Ų | 98.5 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -35.1 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | E172 Q179 L180 | E172-V176 WeakPolarHBondContact O-CB 3.29Å; E172-V176 WeakPolarHBondContact O-CG2 3.42Å; E172-V176 PolarHBondContact O-N 3.11Å; V176-Q179 PolarHBondContact O-N 2.71Å; V176-L180 WeakPolarHBondContact O-CB 3.48Å; V176-L180 PolarHBondContact O-N 3.42Å |
| 177 | G | 95.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 99.1 Ų | 99.1 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L173 E174 S175 Q181 | L173-G177 PolarHBondContact O-N 2.9Å; E174-G177 PolarHBondContact O-N 3.47Å; S175-G177 VanDerWaalsContact C-N 3.26Å; S175-G177 PolarHBondContact O-N 2.88Å; G177-Q181 WeakPolarHBondContact O-CB 3.28Å; G177-Q181 PolarHBondContact O-N 2.97Å |
| 178 | R | 96.4 | Very high | 95.8 | Very high | 179 Ų | 179 | 102 Ų | 102 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.1 | -39.4 | 174.1 | -67.2 | 171.2 | -160.5 | -149.1 | 6.7 | 111.9 | E174 S175 Q181 A182 | E174-R178 WeakPolarHBondContact O-CG 3.43Å; E174-R178 PolarHBondContact O-N 3Å; S175-R178 PolarHBondContact O-N 3.4Å; S175-R178 VanDerWaalsContact O-N 3.14Å; R178-Q181 PolarHBondContact O-N 3.4Å; R178-A182 PolarHBondContact O-N 3.4Å |
| 179 | Q | 96.4 | Very high | 96 | Very high | 140 Ų | 140 | 102 Ų | 102 | 65% | 0.654 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 178.5 | -166.8 | 174.5 | 6.9 | 0 | 0 | 111.8 | S175 V176 A182 E183 | S175-Q179 PolarHBondContact O-N 3.45Å; V176-Q179 PolarHBondContact O-N 2.71Å; Q179-A182 PolarHBondContact O-N 2.93Å; Q179-E183 WeakPolarHBondContact O-CB 3.41Å; Q179-E183 PolarHBondContact O-N 2.99Å |
| 180 | L | 96.6 | Very high | 96.2 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 173.4 | -180 | 61.8 | 0 | 0 | 0 | 111.9 | V176 E183 V184 | V176-L180 WeakPolarHBondContact O-CB 3.48Å; V176-L180 PolarHBondContact O-N 3.42Å; L180-E183 PolarHBondContact O-N 3.05Å; L180-V184 WeakPolarHBondContact O-CG2 3.48Å; L180-V184 PolarHBondContact O-N 3.23Å |
| 181 | Q | 96.9 | Very high | 96.3 | Very high | 102 Ų | 102 | 96.9 Ų | 96.9 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 175.8 | -179.9 | 61.4 | 30.8 | 0 | 0 | 111.5 | G177 R178 E183 V184 E185 | G177-Q181 WeakPolarHBondContact O-CB 3.28Å; G177-Q181 PolarHBondContact O-N 2.97Å; R178-Q181 PolarHBondContact O-N 3.4Å; Q181-E183 VanDerWaalsContact C-N 3.29Å; Q181-E183 PolarHBondContact O-N 2.87Å; Q181-V184 PolarHBondContact O-N 3.26Å; Q181-E185 WeakPolarHBondContact CG-OE1 3.33Å; Q181-E185 PolarHBondContact NE2-OE1 3.08Å; Q181-E185 WeakPolarHBondContact O-CG 3.39Å; Q181-E185 PolarHBondContact O-N 3.43Å |
| 182 | A | 95.7 | Very high | 96.4 | Very high | 46 Ų | 46 | 96.1 Ų | 96.1 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R178 Q179 E185 N186 | R178-A182 PolarHBondContact O-N 3.4Å; Q179-A182 PolarHBondContact O-N 2.93Å; A182-E185 PolarHBondContact O-N 3.47Å; A182-N186 VanDerWaalsContact O-CG 3.31Å; A182-N186 PolarHBondContact O-N 3.33Å; A182-N186 PolarHBondContact O-ND2 3.09Å |
| 183 | E | 95.6 | Very high | 96.6 | Very high | 98 Ų | 98 | 96.2 Ų | 96.2 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.8 | -29.8 | 178.3 | -170.5 | 54.8 | -159.2 | 0 | 0 | 113.2 | Q179 L180 Q181 N186 N187 | Q179-E183 WeakPolarHBondContact O-CB 3.41Å; Q179-E183 PolarHBondContact O-N 2.99Å; L180-E183 PolarHBondContact O-N 3.05Å; Q181-E183 VanDerWaalsContact C-N 3.29Å; Q181-E183 PolarHBondContact O-N 2.87Å; E183-N186 PolarHBondContact OE2-ND2 3.01Å; E183-N187 WeakPolarHBondContact O-CB 3.39Å; E183-N187 PolarHBondContact O-N 2.74Å |
| 184 | V | 96.7 | Very high | 96.7 | Very high | 62 Ų | 62 | 91.5 Ų | 91.5 | 38% | 0.376 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 168.4 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | L180 Q181 N187 Q188 | L180-V184 WeakPolarHBondContact O-CG2 3.48Å; L180-V184 PolarHBondContact O-N 3.23Å; Q181-V184 PolarHBondContact O-N 3.26Å; V184-N187 PolarHBondContact O-N 2.89Å; V184-Q188 WeakPolarHBondContact O-CG 3.44Å; V184-Q188 PolarHBondContact O-N 3.49Å |
| 185 | E | 96.4 | Very high | 96.8 | Very high | 99 Ų | 99 | 94.4 Ų | 94.4 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 176.3 | -71.1 | 167.9 | -162.9 | 0 | 0 | 111.8 | Q181 A182 N187 Q188 M189 | Q181-E185 WeakPolarHBondContact CG-OE1 3.33Å; Q181-E185 PolarHBondContact NE2-OE1 3.08Å; Q181-E185 WeakPolarHBondContact O-CG 3.39Å; Q181-E185 PolarHBondContact O-N 3.43Å; A182-E185 PolarHBondContact O-N 3.47Å; E185-N187 VanDerWaalsContact C-N 3.34Å; E185-N187 PolarHBondContact O-N 2.88Å; E185-Q188 PolarHBondContact O-N 2.92Å; E185-M189 PolarHBondContact O-N 2.78Å |
| 186 | N | 96.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 99.9 Ų | 99.9 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.9 | -46.3 | 168.8 | -73.4 | -24 | 0 | 0 | 0 | 111.6 | A182 E183 Q188 M189 L190 | A182-N186 VanDerWaalsContact O-CG 3.31Å; A182-N186 PolarHBondContact O-N 3.33Å; A182-N186 PolarHBondContact O-ND2 3.09Å; E183-N186 PolarHBondContact OE2-ND2 3.01Å; N186-Q188 VanDerWaalsContact C-N 3.35Å; N186-Q188 PolarHBondContact O-N 3.26Å; N186-M189 WeakPolarHBondContact O-CB 3.4Å; N186-M189 PolarHBondContact O-N 3.14Å; N186-L190 WeakPolarHBondContact O-CB 3.44Å; N186-L190 WeakPolarHBondContact O-CG 3.47Å; N186-L190 PolarHBondContact O-N 2.89Å |
| 187 | N | 97.2 | Very high | 96.9 | Very high | 87 Ų | 87 | 99.7 Ų | 99.7 | 47% | 0.465 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 179.4 | -113.7 | -94.4 | 0 | 0 | 0 | 113 | E183 V184 E185 S191 | E183-N187 WeakPolarHBondContact O-CB 3.39Å; E183-N187 PolarHBondContact O-N 2.74Å; V184-N187 PolarHBondContact O-N 2.89Å; E185-N187 VanDerWaalsContact C-N 3.34Å; E185-N187 PolarHBondContact O-N 2.88Å; N187-S191 WeakPolarHBondContact O-CB 3.38Å; N187-S191 PolarHBondContact O-N 3.37Å; N187-S191 PolarHBondContact O-OG 3.46Å |
| 188 | Q | 97.5 | Very high | 97 | Very high | 117 Ų | 117 | 101.1 Ų | 101.1 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 172.4 | -69.9 | 173.5 | 22.9 | 0 | 0 | 111.1 | V184 E185 N186 S191 L192 | V184-Q188 WeakPolarHBondContact O-CG 3.44Å; V184-Q188 PolarHBondContact O-N 3.49Å; E185-Q188 PolarHBondContact O-N 2.92Å; N186-Q188 VanDerWaalsContact C-N 3.35Å; N186-Q188 PolarHBondContact O-N 3.26Å; Q188-S191 WeakPolarHBondContact O-CB 3.47Å; Q188-S191 PolarHBondContact O-N 3.2Å; Q188-S191 VanDerWaalsContact O-N 3.16Å; Q188-L192 PolarHBondContact O-N 2.88Å |
| 189 | M | 97.1 | Very high | 97 | Very high | 111 Ų | 111 | 96.1 Ų | 96.1 | 55% | 0.547 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 176.5 | -165.5 | -164.8 | -49.5 | 0 | 0 | 111.9 | E185 N186 S191 L192 L193 | E185-M189 PolarHBondContact O-N 2.78Å; N186-M189 WeakPolarHBondContact O-CB 3.4Å; N186-M189 PolarHBondContact O-N 3.14Å; M189-S191 VanDerWaalsContact C-N 3.27Å; M189-S191 PolarHBondContact O-N 2.97Å; M189-L192 PolarHBondContact O-N 2.79Å; M189-L193 WeakPolarHBondContact O-CG 3.43Å; M189-L193 PolarHBondContact O-N 3.01Å |
| 190 | L | 97.4 | Very high | 97.1 | Very high | 91 Ų | 91 | 96 Ų | 96 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.6 | -36.3 | 174.3 | -72.1 | 171 | 0 | 0 | 0 | 111.9 | N186 L193 N194 | N186-L190 WeakPolarHBondContact O-CB 3.44Å; N186-L190 WeakPolarHBondContact O-CG 3.47Å; N186-L190 PolarHBondContact O-N 2.89Å; L190-L193 PolarHBondContact O-N 3.22Å; L190-N194 VanDerWaalsContact O-CB 3.27Å; L190-N194 WeakPolarHBondContact O-CB 3.41Å; L190-N194 PolarHBondContact O-N 3Å; L190-N194 PolarHBondContact O-ND2 3.35Å |
| 191 | S | 96.9 | Very high | 97.1 | Very high | 68 Ų | 68 | 95 Ų | 95 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 176.4 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | N187 Q188 M189 R195 | N187-S191 WeakPolarHBondContact O-CB 3.38Å; N187-S191 PolarHBondContact O-N 3.37Å; N187-S191 PolarHBondContact O-OG 3.46Å; Q188-S191 WeakPolarHBondContact O-CB 3.47Å; Q188-S191 PolarHBondContact O-N 3.2Å; Q188-S191 VanDerWaalsContact O-N 3.16Å; M189-S191 VanDerWaalsContact C-N 3.27Å; M189-S191 PolarHBondContact O-N 2.97Å; S191-R195 WeakPolarHBondContact O-CB 3.31Å; S191-R195 PolarHBondContact O-N 3.16Å |
| 192 | L | 98.1 | Very high | 97.2 | Very high | 124 Ų | 124 | 96.1 Ų | 96.1 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -69.2 | -41.6 | 174.1 | -67.1 | 172.3 | 0 | 0 | 0 | 112.2 | Q188 M189 R195 R196 | Q188-L192 PolarHBondContact O-N 2.88Å; M189-L192 PolarHBondContact O-N 2.79Å; L192-R195 PolarHBondContact O-N 2.99Å; L192-R196 PolarHBondContact O-N 2.88Å |
| 193 | L | 97.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 99.1 Ų | 99.1 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 175.4 | -70 | 171.8 | 0 | 0 | 0 | 111.8 | M189 L190 R195 R196 Q197 | M189-L193 WeakPolarHBondContact O-CG 3.43Å; M189-L193 PolarHBondContact O-N 3.01Å; L190-L193 PolarHBondContact O-N 3.22Å; L193-R195 VanDerWaalsContact C-N 3.3Å; L193-R195 PolarHBondContact O-N 2.83Å; L193-R196 PolarHBondContact O-N 2.81Å; L193-Q197 WeakPolarHBondContact O-CG 3.49Å; L193-Q197 PolarHBondContact O-N 3.31Å |
| 194 | N | 97.3 | Very high | 97.3 | Very high | 37 Ų | 37 | 99 Ų | 99 | 20% | 0.198 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 172.8 | -80.5 | -47.5 | 0 | 0 | 0 | 111.8 | N51 L190 Q197 E198 | N51-N194 PolarHBondContact ND2-OD1 2.89Å; L190-N194 VanDerWaalsContact O-CB 3.27Å; L190-N194 WeakPolarHBondContact O-CB 3.41Å; L190-N194 PolarHBondContact O-N 3Å; L190-N194 PolarHBondContact O-ND2 3.35Å; N194-Q197 PolarHBondContact O-N 2.98Å; N194-E198 PolarHBondContact O-N 3.11Å |
| 195 | R | 97.6 | Very high | 97.3 | Very high | 158 Ų | 158 | 102 Ų | 102 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62 | -47.9 | 177.1 | 178 | 176.9 | 170.7 | 161.9 | 3.7 | 111.7 | S191 L192 L193 Q197 E198 E199 | S191-R195 WeakPolarHBondContact O-CB 3.31Å; S191-R195 PolarHBondContact O-N 3.16Å; L192-R195 PolarHBondContact O-N 2.99Å; L193-R195 VanDerWaalsContact C-N 3.3Å; L193-R195 PolarHBondContact O-N 2.83Å; R195-Q197 VanDerWaalsContact C-N 3.26Å; R195-Q197 PolarHBondContact O-N 2.88Å; R195-E198 PolarHBondContact O-N 3.42Å; R195-E198 VanDerWaalsContact O-N 3.16Å; R195-E199 WeakPolarHBondContact CG-OE1 3.45Å; R195-E199 IonicContact CZ-OE1 2.64Å; R195-E199 IonicContact NE-OE1 3.23Å; R195-E199 PolarHBondContact NE-OE1 3.1Å; R195-E199 IonicContact NH2-OE1 2.67Å; R195-E199 PolarHBondContact NH2-OE1 2.96Å; R195-E199 VanDerWaalsContact NH2-OE1 3.09Å; R195-E199 WeakPolarHBondContact O-CG 3.39Å; R195-E199 PolarHBondContact O-N 3.07Å |
| 196 | R | 97.6 | Very high | 97.4 | Very high | 177 Ų | 177 | 103.1 Ų | 103.1 | 67% | 0.668 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.7 | -32.4 | 175.5 | 175.2 | 173.9 | -79.5 | -163 | -5.4 | 112.6 | L192 L193 R200 | L192-R196 PolarHBondContact O-N 2.88Å; L193-R196 PolarHBondContact O-N 2.81Å; R196-R200 WeakPolarHBondContact O-CG 3.48Å; R196-R200 PolarHBondContact O-N 3.28Å; R196-R200 VanDerWaalsContact O-N 3.08Å |
| 197 | Q | 97.1 | Very high | 97.4 | Very high | 79 Ų | 79 | 106.9 Ų | 106.9 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.7 | -42.1 | 173.1 | -74.7 | 175.1 | -26 | 0 | 0 | 112.1 | N51 L193 N194 R195 E199 R200 L201 | N51-Q197 PolarHBondContact ND2-OE1 3.32Å; L193-Q197 WeakPolarHBondContact O-CG 3.49Å; L193-Q197 PolarHBondContact O-N 3.31Å; N194-Q197 PolarHBondContact O-N 2.98Å; R195-Q197 VanDerWaalsContact C-N 3.26Å; R195-Q197 PolarHBondContact O-N 2.88Å; Q197-E199 VanDerWaalsContact C-N 3.32Å; Q197-E199 PolarHBondContact O-N 3.29Å; Q197-R200 PolarHBondContact O-N 3.02Å; Q197-L201 WeakPolarHBondContact O-CG 3.24Å; Q197-L201 PolarHBondContact O-N 3.22Å |
| 198 | E | 96.9 | Very high | 97.5 | Very high | 68 Ų | 68 | 107.7 Ų | 107.7 | 32% | 0.318 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -34 | 173.8 | -74 | -175.9 | -164.3 | 0 | 0 | 112.6 | K49 N194 R195 R202 | K49-E198 IonicContact NZ-OE1 2.6Å; K49-E198 PolarHBondContact NZ-OE1 2.98Å; N194-E198 PolarHBondContact O-N 3.11Å; R195-E198 PolarHBondContact O-N 3.42Å; R195-E198 VanDerWaalsContact O-N 3.16Å; E198-R202 WeakPolarHBondContact O-CG 3.31Å; E198-R202 PolarHBondContact O-N 2.75Å; E198-R202 IonicContact OE2-NH2 3.38Å |
| 199 | E | 97.4 | Very high | 97.4 | Very high | 74 Ų | 74 | 107 Ų | 107 | 35% | 0.346 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -49.7 | 174.1 | -72.8 | 161.7 | 169.1 | 0 | 0 | 110.6 | R195 Q197 L201 R202 E203 | R195-E199 WeakPolarHBondContact CG-OE1 3.45Å; R195-E199 IonicContact CZ-OE1 2.64Å; R195-E199 IonicContact NE-OE1 3.23Å; R195-E199 PolarHBondContact NE-OE1 3.1Å; R195-E199 IonicContact NH2-OE1 2.67Å; R195-E199 PolarHBondContact NH2-OE1 2.96Å; R195-E199 VanDerWaalsContact NH2-OE1 3.09Å; R195-E199 WeakPolarHBondContact O-CG 3.39Å; R195-E199 PolarHBondContact O-N 3.07Å; Q197-E199 VanDerWaalsContact C-N 3.32Å; Q197-E199 PolarHBondContact O-N 3.29Å; E199-L201 VanDerWaalsContact C-N 3.28Å; E199-L201 PolarHBondContact O-N 2.81Å; E199-R202 PolarHBondContact O-N 2.87Å; E199-R202 VanDerWaalsContact O-N 3.14Å; E199-E203 PolarHBondContact O-N 3.37Å; E199-E203 VanDerWaalsContact O-N 3.1Å |
| 200 | R | 98.2 | Very high | 97.4 | Very high | 138 Ų | 138 | 107.2 Ų | 107.2 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -28.7 | 174.9 | -77.7 | -178 | 65.4 | -119.7 | -0.3 | 115.1 | R196 Q197 Q204 | R196-R200 WeakPolarHBondContact O-CG 3.48Å; R196-R200 PolarHBondContact O-N 3.28Å; R196-R200 VanDerWaalsContact O-N 3.08Å; Q197-R200 PolarHBondContact O-N 3.02Å; R200-Q204 WeakPolarHBondContact O-CG 3.41Å; R200-Q204 PolarHBondContact O-N 3.27Å |
| 201 | L | 97.7 | Very high | 97.4 | Very high | 92 Ų | 92 | 107.4 Ų | 107.4 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.7 | -38.7 | 176 | -75.9 | 168.6 | 0 | 0 | 0 | 111 | Q197 E199 Q204 E205 | Q197-L201 WeakPolarHBondContact O-CG 3.24Å; Q197-L201 PolarHBondContact O-N 3.22Å; E199-L201 VanDerWaalsContact C-N 3.28Å; E199-L201 PolarHBondContact O-N 2.81Å; L201-Q204 CarbonylContact O-C 3.57Å; L201-Q204 WeakPolarHBondContact O-CA 3.45Å; L201-Q204 WeakPolarHBondContact O-CB 3.33Å; L201-Q204 PolarHBondContact O-N 3.1Å; L201-E205 WeakPolarHBondContact O-CG 3.38Å; L201-E205 PolarHBondContact O-N 3.1Å |
| 202 | R | 97.4 | Very high | 97.4 | Very high | 126 Ų | 126 | 109.8 Ų | 109.8 | 48% | 0.475 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 174.5 | -67.3 | 173.3 | -148.5 | 177 | 7.5 | 112 | E198 E199 Q204 E205 E206 | E198-R202 WeakPolarHBondContact O-CG 3.31Å; E198-R202 PolarHBondContact O-N 2.75Å; E198-R202 IonicContact OE2-NH2 3.38Å; E199-R202 PolarHBondContact O-N 2.87Å; E199-R202 VanDerWaalsContact O-N 3.14Å; R202-Q204 PolarHBondContact O-N 3.5Å; R202-Q204 VanDerWaalsContact O-N 3.11Å; R202-E205 PolarHBondContact O-N 2.8Å; R202-E205 VanDerWaalsContact O-N 3.1Å; R202-E206 WeakPolarHBondContact O-CB 3.49Å; R202-E206 WeakPolarHBondContact O-CG 3.37Å; R202-E206 PolarHBondContact O-N 3.15Å |
| 203 | E | 97.9 | Very high | 97.3 | Very high | 109 Ų | 109 | 109.3 Ų | 109.3 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.3 | -24.6 | 171.4 | -67.4 | 169.2 | 177 | 0 | 0 | 112.9 | E199 R207 | E199-E203 PolarHBondContact O-N 3.37Å; E199-E203 VanDerWaalsContact O-N 3.1Å; E203-R207 WeakPolarHBondContact O-CB 3.45Å; E203-R207 WeakPolarHBondContact O-CD 3.2Å; E203-R207 WeakPolarHBondContact O-CG 3.36Å |
| 204 | Q | 96.9 | Very high | 97.3 | Very high | 95 Ų | 95 | 111.9 Ų | 111.9 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -88.7 | -37.8 | 174.2 | -71.2 | -178.2 | -26.3 | 0 | 0 | 112.5 | R200 L201 R202 L208 | R200-Q204 WeakPolarHBondContact O-CG 3.41Å; R200-Q204 PolarHBondContact O-N 3.27Å; L201-Q204 CarbonylContact O-C 3.57Å; L201-Q204 WeakPolarHBondContact O-CA 3.45Å; L201-Q204 WeakPolarHBondContact O-CB 3.33Å; L201-Q204 PolarHBondContact O-N 3.1Å; R202-Q204 PolarHBondContact O-N 3.5Å; R202-Q204 VanDerWaalsContact O-N 3.11Å; Q204-L208 VanDerWaalsContact O-CG 3.31Å; Q204-L208 WeakPolarHBondContact O-CG 3.4Å; Q204-L208 PolarHBondContact O-N 3.16Å |
| 205 | E | 96.8 | Very high | 97.4 | Very high | 127 Ų | 127 | 115 Ų | 115 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 173.4 | -69.6 | 168.1 | 162.7 | 0 | 0 | 110.9 | L201 R202 L208 H209 | L201-E205 WeakPolarHBondContact O-CG 3.38Å; L201-E205 PolarHBondContact O-N 3.1Å; R202-E205 PolarHBondContact O-N 2.8Å; R202-E205 VanDerWaalsContact O-N 3.1Å; E205-L208 PolarHBondContact O-N 3.47Å; E205-H209 PolarHBondContact O-N 3.08Å |
| 206 | E | 97.4 | Very high | 97.3 | Very high | 122 Ų | 122 | 112.5 Ų | 112.5 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -48.2 | 175.8 | -71.3 | 165.8 | -177.9 | 0 | 0 | 111.3 | R202 L208 H209 E210 | R202-E206 WeakPolarHBondContact O-CB 3.49Å; R202-E206 WeakPolarHBondContact O-CG 3.37Å; R202-E206 PolarHBondContact O-N 3.15Å; E206-L208 VanDerWaalsContact C-N 3.25Å; E206-L208 PolarHBondContact O-N 2.89Å; E206-H209 WeakPolarHBondContact O-CB 3.33Å; E206-H209 PolarHBondContact O-N 2.91Å; E206-H209 VanDerWaalsContact O-N 3.1Å; E206-E210 WeakPolarHBondContact O-CG 3.39Å; E206-E210 PolarHBondContact O-N 3.16Å |
| 207 | R | 98.2 | Very high | 97.3 | Very high | 151 Ų | 151 | 109.7 Ų | 109.7 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.9 | -18.8 | 177.1 | -75.6 | -179.8 | 63.4 | -133.6 | -8 | 114.8 | E203 Q211 | E203-R207 WeakPolarHBondContact O-CB 3.45Å; E203-R207 WeakPolarHBondContact O-CD 3.2Å; E203-R207 WeakPolarHBondContact O-CG 3.36Å; R207-Q211 PolarHBondContact O-NE2 3.39Å |
| 208 | L | 97.6 | Very high | 97.3 | Very high | 104 Ų | 104 | 110.4 Ų | 110.4 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -80.4 | -42.4 | 169.4 | -76.4 | 168.7 | 0 | 0 | 0 | 109.9 | Q204 E205 E206 E210 Q211 E212 | Q204-L208 VanDerWaalsContact O-CG 3.31Å; Q204-L208 WeakPolarHBondContact O-CG 3.4Å; Q204-L208 PolarHBondContact O-N 3.16Å; E205-L208 PolarHBondContact O-N 3.47Å; E206-L208 VanDerWaalsContact C-N 3.25Å; E206-L208 PolarHBondContact O-N 2.89Å; L208-E210 PolarHBondContact O-N 2.94Å; L208-Q211 CarbonylContact O-C 3.57Å; L208-Q211 WeakPolarHBondContact O-CA 3.47Å; L208-Q211 WeakPolarHBondContact O-CB 3.28Å; L208-Q211 PolarHBondContact O-N 3.45Å; L208-E212 WeakPolarHBondContact O-CG 3.41Å; L208-E212 PolarHBondContact O-N 3.39Å |
| 209 | H | 96.2 | Very high | 97.3 | Very high | 103 Ų | 103 | 112.7 Ų | 112.7 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 177.3 | -157.4 | 43.2 | 0 | 0 | 0 | 112.4 | E205 E206 Q211 E212 E213 | E205-H209 PolarHBondContact O-N 3.08Å; E206-H209 WeakPolarHBondContact O-CB 3.33Å; E206-H209 PolarHBondContact O-N 2.91Å; E206-H209 VanDerWaalsContact O-N 3.1Å; H209-Q211 PolarHBondContact O-N 2.92Å; H209-Q211 VanDerWaalsContact O-N 3.16Å; H209-E212 IonicContact ND1-OE2 2.97Å; H209-E212 PolarHBondContact ND1-OE2 2.97Å; H209-E212 VanDerWaalsContact ND1-OE2 3.07Å; H209-E212 WeakPolarHBondContact O-CB 3.49Å; H209-E212 PolarHBondContact O-N 3.04Å; H209-E212 VanDerWaalsContact O-N 3.08Å; H209-E213 PolarHBondContact O-N 3.01Å |
| 210 | E | 98 | Very high | 97.3 | Very high | 115 Ų | 115 | 114.6 Ų | 114.6 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.3 | -26.6 | 170.2 | -71.8 | 177.7 | 159.9 | 0 | 0 | 113.5 | E206 L208 R214 | E206-E210 WeakPolarHBondContact O-CG 3.39Å; E206-E210 PolarHBondContact O-N 3.16Å; L208-E210 PolarHBondContact O-N 2.94Å; E210-R214 WeakPolarHBondContact O-CB 3.46Å; E210-R214 WeakPolarHBondContact O-CD 3.38Å; E210-R214 WeakPolarHBondContact O-CG 3.47Å; E210-R214 PolarHBondContact O-N 3.47Å |
| 211 | Q | 97.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 115.2 Ų | 115.2 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -86.5 | -34.2 | 175.4 | -73.8 | 173.3 | 83.8 | 0 | 0 | 112 | R207 L208 H209 L215 | R207-Q211 PolarHBondContact O-NE2 3.39Å; L208-Q211 CarbonylContact O-C 3.57Å; L208-Q211 WeakPolarHBondContact O-CA 3.47Å; L208-Q211 WeakPolarHBondContact O-CB 3.28Å; L208-Q211 PolarHBondContact O-N 3.45Å; H209-Q211 PolarHBondContact O-N 2.92Å; H209-Q211 VanDerWaalsContact O-N 3.16Å; Q211-L215 WeakPolarHBondContact O-CB 3.42Å; Q211-L215 VanDerWaalsContact O-CG 3.28Å; Q211-L215 WeakPolarHBondContact O-CG 3.47Å; Q211-L215 PolarHBondContact O-N 2.89Å |
| 212 | E | 96.1 | Very high | 97.3 | Very high | 118 Ų | 118 | 115.8 Ų | 115.8 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -48.8 | 172 | -68.1 | 173.3 | 158.3 | 0 | 0 | 111 | L208 H209 R214 L215 H216 | L208-E212 WeakPolarHBondContact O-CG 3.41Å; L208-E212 PolarHBondContact O-N 3.39Å; H209-E212 IonicContact ND1-OE2 2.97Å; H209-E212 PolarHBondContact ND1-OE2 2.97Å; H209-E212 VanDerWaalsContact ND1-OE2 3.07Å; H209-E212 WeakPolarHBondContact O-CB 3.49Å; H209-E212 PolarHBondContact O-N 3.04Å; H209-E212 VanDerWaalsContact O-N 3.08Å; E212-R214 PolarHBondContact O-N 3.33Å; E212-L215 PolarHBondContact O-N 2.79Å; E212-L215 VanDerWaalsContact O-N 3.15Å; E212-H216 PolarHBondContact O-N 2.91Å |
| 213 | E | 96.9 | Very high | 97.3 | Very high | 115 Ų | 115 | 113.7 Ų | 113.7 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 176.2 | -69.8 | -171.3 | 134.3 | 0 | 0 | 111.3 | H209 L215 H216 E217 | H209-E213 PolarHBondContact O-N 3.01Å; E213-L215 PolarHBondContact O-N 3.25Å; E213-H216 WeakPolarHBondContact O-CB 3.39Å; E213-H216 PolarHBondContact O-N 2.88Å; E213-H216 VanDerWaalsContact O-N 3.07Å; E213-E217 WeakPolarHBondContact O-CG 3.33Å; E213-E217 PolarHBondContact O-N 3.09Å |
| 214 | R | 98.1 | Very high | 97.3 | Very high | 147 Ų | 147 | 114.2 Ų | 114.2 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.4 | -20.2 | 177.1 | -74.9 | 177 | 61.8 | -119.5 | -8.3 | 114.5 | E210 E212 Q218 | E210-R214 WeakPolarHBondContact O-CB 3.46Å; E210-R214 WeakPolarHBondContact O-CD 3.38Å; E210-R214 WeakPolarHBondContact O-CG 3.47Å; E210-R214 PolarHBondContact O-N 3.47Å; E212-R214 PolarHBondContact O-N 3.33Å; R214-Q218 WeakPolarHBondContact O-CG 3.48Å; R214-Q218 PolarHBondContact O-NE2 2.86Å |
| 215 | L | 97.6 | Very high | 97.3 | Very high | 104 Ų | 104 | 114.1 Ų | 114.1 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -81.6 | -41.3 | 169.4 | -75.8 | 169.5 | 0 | 0 | 0 | 110.2 | Q211 E212 E213 E217 Q218 E219 | Q211-L215 WeakPolarHBondContact O-CB 3.42Å; Q211-L215 VanDerWaalsContact O-CG 3.28Å; Q211-L215 WeakPolarHBondContact O-CG 3.47Å; Q211-L215 PolarHBondContact O-N 2.89Å; E212-L215 PolarHBondContact O-N 2.79Å; E212-L215 VanDerWaalsContact O-N 3.15Å; E213-L215 PolarHBondContact O-N 3.25Å; L215-E217 PolarHBondContact O-N 3.44Å; L215-Q218 CarbonylContact O-C 3.59Å; L215-Q218 WeakPolarHBondContact O-CA 3.17Å; L215-Q218 WeakPolarHBondContact O-CB 3.5Å; L215-Q218 PolarHBondContact O-N 2.66Å; L215-E219 PolarHBondContact O-N 3.34Å |
| 216 | H | 95.7 | Very high | 97.3 | Very high | 104 Ų | 104 | 112.9 Ų | 112.9 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 177.3 | -161.3 | 44.3 | 0 | 0 | 0 | 112.2 | E212 E213 Q218 E219 E220 | E212-H216 PolarHBondContact O-N 2.91Å; E213-H216 WeakPolarHBondContact O-CB 3.39Å; E213-H216 PolarHBondContact O-N 2.88Å; E213-H216 VanDerWaalsContact O-N 3.07Å; H216-Q218 PolarHBondContact O-N 3.16Å; H216-E219 IonicContact ND1-OE2 3.97Å; H216-E219 PolarHBondContact ND1-OE2 2.87Å; H216-E219 WeakPolarHBondContact O-CB 3.49Å; H216-E219 PolarHBondContact O-N 3.08Å; H216-E219 VanDerWaalsContact O-N 3.08Å; H216-E220 PolarHBondContact O-N 3.07Å |
| 217 | E | 97.9 | Very high | 97.3 | Very high | 118 Ų | 118 | 113.3 Ų | 113.3 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.4 | -31 | 170.3 | -72.3 | -178.9 | 152.6 | 0 | 0 | 113 | E213 L215 R221 | E213-E217 WeakPolarHBondContact O-CG 3.33Å; E213-E217 PolarHBondContact O-N 3.09Å; L215-E217 PolarHBondContact O-N 3.44Å; E217-R221 WeakPolarHBondContact O-CB 3.5Å; E217-R221 WeakPolarHBondContact O-CD 3.43Å; E217-R221 WeakPolarHBondContact O-CG 3.49Å; E217-R221 PolarHBondContact O-N 3.35Å |
| 218 | Q | 97.6 | Very high | 97.3 | Very high | 95 Ų | 95 | 113.6 Ų | 113.6 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -80.6 | -36.1 | 175.9 | -72.7 | 173.9 | 82 | 0 | 0 | 111.7 | R214 L215 H216 L222 | R214-Q218 WeakPolarHBondContact O-CG 3.48Å; R214-Q218 PolarHBondContact O-NE2 2.86Å; L215-Q218 CarbonylContact O-C 3.59Å; L215-Q218 WeakPolarHBondContact O-CA 3.17Å; L215-Q218 WeakPolarHBondContact O-CB 3.5Å; L215-Q218 PolarHBondContact O-N 2.66Å; H216-Q218 PolarHBondContact O-N 3.16Å; Q218-L222 WeakPolarHBondContact O-CB 3.5Å; Q218-L222 VanDerWaalsContact O-CG 3.27Å; Q218-L222 WeakPolarHBondContact O-CG 3.41Å; Q218-L222 PolarHBondContact O-N 3.04Å |
| 219 | E | 96.9 | Very high | 97.3 | Very high | 116 Ų | 116 | 113.4 Ų | 113.4 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 172.6 | -68.2 | 179.4 | 153.4 | 0 | 0 | 111.7 | L215 H216 L222 C223 | L215-E219 PolarHBondContact O-N 3.34Å; H216-E219 IonicContact ND1-OE2 3.97Å; H216-E219 PolarHBondContact ND1-OE2 2.87Å; H216-E219 WeakPolarHBondContact O-CB 3.49Å; H216-E219 PolarHBondContact O-N 3.08Å; H216-E219 VanDerWaalsContact O-N 3.08Å; E219-L222 PolarHBondContact O-N 3.2Å; E219-L222 VanDerWaalsContact O-N 3.16Å; E219-C223 PolarHBondContact O-N 3.24Å; E219-C223 PolarHBondContact O-SG 2.99Å; E219-C223 VanDerWaalsContact O-SG 3.34Å |
| 220 | E | 97.4 | Very high | 97.3 | Very high | 114 Ų | 114 | 115.2 Ų | 115.2 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 175.3 | -70.7 | -166.2 | 135.1 | 0 | 0 | 111.3 | H216 L222 C223 E224 | H216-E220 PolarHBondContact O-N 3.07Å; E220-L222 PolarHBondContact O-N 3.25Å; E220-C223 WeakPolarHBondContact O-CB 3.46Å; E220-C223 PolarHBondContact O-N 3.45Å; E220-C223 VanDerWaalsContact O-N 3.09Å; E220-E224 WeakPolarHBondContact O-CG 3.27Å; E220-E224 PolarHBondContact O-N 3.5Å |
| 221 | R | 98.2 | Very high | 97.3 | Very high | 150 Ų | 150 | 114.1 Ų | 114.1 | 57% | 0.566 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.2 | -18.7 | 176.6 | -71.8 | 175 | 65.9 | -122.7 | -5.2 | 114 | E217 Q225 | E217-R221 WeakPolarHBondContact O-CB 3.5Å; E217-R221 WeakPolarHBondContact O-CD 3.43Å; E217-R221 WeakPolarHBondContact O-CG 3.49Å; E217-R221 PolarHBondContact O-N 3.35Å; R221-Q225 WeakPolarHBondContact O-CG 3.3Å; R221-Q225 PolarHBondContact O-NE2 3.2Å |
| 222 | L | 97.8 | Very high | 97.3 | Very high | 104 Ų | 104 | 114.5 Ų | 114.5 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -84.4 | -41.3 | 170.2 | -74.7 | 169.9 | 0 | 0 | 0 | 111.1 | Q218 E219 E220 E224 Q225 E226 | Q218-L222 WeakPolarHBondContact O-CB 3.5Å; Q218-L222 VanDerWaalsContact O-CG 3.27Å; Q218-L222 WeakPolarHBondContact O-CG 3.41Å; Q218-L222 PolarHBondContact O-N 3.04Å; E219-L222 PolarHBondContact O-N 3.2Å; E219-L222 VanDerWaalsContact O-N 3.16Å; E220-L222 PolarHBondContact O-N 3.25Å; L222-E224 VanDerWaalsContact C-N 3.35Å; L222-E224 PolarHBondContact O-N 2.89Å; L222-Q225 WeakPolarHBondContact O-CB 3.41Å; L222-Q225 PolarHBondContact O-N 3.06Å; L222-E226 PolarHBondContact O-N 2.91Å |
| 223 | C | 96.2 | Very high | 97.4 | Very high | 83 Ų | 83 | 114.7 Ų | 114.7 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.2 | -44.4 | 172.2 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | E219 E220 Q225 E226 E227 | E219-C223 PolarHBondContact O-N 3.24Å; E219-C223 PolarHBondContact O-SG 2.99Å; E219-C223 VanDerWaalsContact O-SG 3.34Å; E220-C223 WeakPolarHBondContact O-CB 3.46Å; E220-C223 PolarHBondContact O-N 3.45Å; E220-C223 VanDerWaalsContact O-N 3.09Å; C223-Q225 VanDerWaalsContact C-N 3.26Å; C223-Q225 PolarHBondContact O-N 3.34Å; C223-E226 PolarHBondContact O-N 3.3Å; C223-E227 PolarHBondContact O-N 3.25Å |
| 224 | E | 97.9 | Very high | 97.4 | Very high | 119 Ų | 119 | 115.3 Ų | 115.3 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.6 | -36.4 | 173.6 | -71.8 | -176.5 | 152.8 | 0 | 0 | 112.6 | E220 L222 R228 | E220-E224 WeakPolarHBondContact O-CG 3.27Å; E220-E224 PolarHBondContact O-N 3.5Å; L222-E224 VanDerWaalsContact C-N 3.35Å; L222-E224 PolarHBondContact O-N 2.89Å; E224-R228 WeakPolarHBondContact O-CB 3.37Å; E224-R228 WeakPolarHBondContact O-CG 3.17Å; E224-R228 PolarHBondContact O-N 2.91Å; E224-R228 VanDerWaalsContact O-N 3.14Å |
| 225 | Q | 97.9 | Very high | 97.3 | Very high | 94 Ų | 94 | 115.5 Ų | 115.5 | 44% | 0.439 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.6 | -39.1 | 177.5 | -76.4 | 174.9 | 82.7 | 0 | 0 | 111.7 | R221 L222 C223 R228 L229 | R221-Q225 WeakPolarHBondContact O-CG 3.3Å; R221-Q225 PolarHBondContact O-NE2 3.2Å; L222-Q225 WeakPolarHBondContact O-CB 3.41Å; L222-Q225 PolarHBondContact O-N 3.06Å; C223-Q225 VanDerWaalsContact C-N 3.26Å; C223-Q225 PolarHBondContact O-N 3.34Å; Q225-R228 PolarHBondContact O-N 3.44Å; Q225-L229 WeakPolarHBondContact O-CB 3.47Å; Q225-L229 VanDerWaalsContact O-CG 3.3Å; Q225-L229 WeakPolarHBondContact O-CG 3.36Å; Q225-L229 PolarHBondContact O-N 2.82Å |
| 226 | E | 97.2 | Very high | 97.3 | Very high | 100 Ų | 100 | 115.9 Ų | 115.9 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 172.1 | -76.6 | -163 | -157.4 | 0 | 0 | 112.1 | L222 C223 L229 R230 | L222-E226 PolarHBondContact O-N 2.91Å; C223-E226 PolarHBondContact O-N 3.3Å; E226-L229 PolarHBondContact O-N 2.87Å; E226-R230 VanDerWaalsContact O-CG 3.25Å; E226-R230 WeakPolarHBondContact O-CG 3.21Å; E226-R230 PolarHBondContact O-N 3.39Å; E226-R230 IonicContact OE2-CZ 2.95Å; E226-R230 IonicContact OE2-NE 3.65Å; E226-R230 IonicContact OE2-NH2 2.64Å; E226-R230 PolarHBondContact OE2-NH2 3.14Å |
| 227 | E | 96.4 | Very high | 97.3 | Very high | 131 Ų | 131 | 115.5 Ų | 115.5 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.1 | -45 | 177.6 | -173.6 | 166 | -146.1 | 0 | 0 | 111.2 | C223 L229 R230 E231 | C223-E227 PolarHBondContact O-N 3.25Å; E227-L229 VanDerWaalsContact C-N 3.27Å; E227-L229 PolarHBondContact O-N 3.32Å; E227-R230 PolarHBondContact O-N 3.23Å; E227-E231 PolarHBondContact O-N 2.91Å |
| 228 | R | 98.2 | Very high | 97 | Very high | 158 Ų | 158 | 113 Ų | 113 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.5 | -24.8 | 175.3 | -72.5 | 174.6 | 63.9 | -149.5 | -4.8 | 114.3 | E224 Q225 Q232 | E224-R228 WeakPolarHBondContact O-CB 3.37Å; E224-R228 WeakPolarHBondContact O-CG 3.17Å; E224-R228 PolarHBondContact O-N 2.91Å; E224-R228 VanDerWaalsContact O-N 3.14Å; Q225-R228 PolarHBondContact O-N 3.44Å; R228-Q232 WeakPolarHBondContact O-CG 3.32Å; R228-Q232 PolarHBondContact O-NE2 2.88Å |
| 229 | L | 97.8 | Very high | 96.8 | Very high | 99 Ų | 99 | 113.8 Ų | 113.8 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -78 | -44.2 | 171.9 | -75.5 | 168.9 | 0 | 0 | 0 | 111 | Q225 E226 E227 E231 Q232 E233 | Q225-L229 WeakPolarHBondContact O-CB 3.47Å; Q225-L229 VanDerWaalsContact O-CG 3.3Å; Q225-L229 WeakPolarHBondContact O-CG 3.36Å; Q225-L229 PolarHBondContact O-N 2.82Å; E226-L229 PolarHBondContact O-N 2.87Å; E227-L229 VanDerWaalsContact C-N 3.27Å; E227-L229 PolarHBondContact O-N 3.32Å; L229-E231 VanDerWaalsContact C-N 3.3Å; L229-E231 PolarHBondContact O-N 2.91Å; L229-Q232 WeakPolarHBondContact O-CA 3.15Å; L229-Q232 WeakPolarHBondContact O-CB 3.49Å; L229-Q232 PolarHBondContact O-N 3.47Å; L229-E233 PolarHBondContact O-N 3.31Å |
| 230 | R | 97.1 | Very high | 96.7 | Very high | 142 Ų | 142 | 114.4 Ų | 114.4 | 54% | 0.536 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 175.2 | -66.9 | 166.5 | -165.5 | -160.3 | 8.9 | 111.7 | E226 E227 Q232 E233 E234 | E226-R230 VanDerWaalsContact O-CG 3.25Å; E226-R230 WeakPolarHBondContact O-CG 3.21Å; E226-R230 PolarHBondContact O-N 3.39Å; E226-R230 IonicContact OE2-CZ 2.95Å; E226-R230 IonicContact OE2-NE 3.65Å; E226-R230 IonicContact OE2-NH2 2.64Å; E226-R230 PolarHBondContact OE2-NH2 3.14Å; E227-R230 PolarHBondContact O-N 3.23Å; R230-Q232 VanDerWaalsContact C-N 3.26Å; R230-Q232 PolarHBondContact O-N 2.91Å; R230-E233 PolarHBondContact O-N 3.32Å; R230-E234 WeakPolarHBondContact O-CG 3.25Å; R230-E234 PolarHBondContact O-N 3.21Å |
| 231 | E | 97.6 | Very high | 96.4 | Very high | 91 Ų | 91 | 116.3 Ų | 116.3 | 43% | 0.425 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57 | -36.8 | 170.4 | -89.7 | -158.6 | -145.8 | 0 | 0 | 113.2 | E227 L229 R235 | E227-E231 PolarHBondContact O-N 2.91Å; L229-E231 VanDerWaalsContact C-N 3.3Å; L229-E231 PolarHBondContact O-N 2.91Å; E231-R235 WeakPolarHBondContact O-CD 3.49Å; E231-R235 WeakPolarHBondContact O-CG 3.41Å; E231-R235 PolarHBondContact O-N 3.18Å; E231-R235 VanDerWaalsContact O-N 3.13Å; E231-R235 PolarHBondContact O-NE 3.1Å; E231-R235 IonicContact OE2-CZ 2.72Å; E231-R235 IonicContact OE2-NE 3.2Å; E231-R235 IonicContact OE2-NH2 3.85Å; E231-R235 PolarHBondContact OE2-NH2 2.87Å |
| 232 | Q | 97.5 | Very high | 96.2 | Very high | 103 Ų | 103 | 114.7 Ų | 114.7 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.7 | -39.9 | 177.8 | -72.8 | 168.7 | 59.8 | 0 | 0 | 111.3 | R228 L229 R230 R235 L236 | R228-Q232 WeakPolarHBondContact O-CG 3.32Å; R228-Q232 PolarHBondContact O-NE2 2.88Å; L229-Q232 WeakPolarHBondContact O-CA 3.15Å; L229-Q232 WeakPolarHBondContact O-CB 3.49Å; L229-Q232 PolarHBondContact O-N 3.47Å; R230-Q232 VanDerWaalsContact C-N 3.26Å; R230-Q232 PolarHBondContact O-N 2.91Å; Q232-R235 PolarHBondContact O-N 3.19Å; Q232-L236 WeakPolarHBondContact O-CG 3.43Å; Q232-L236 PolarHBondContact O-N 3.47Å |
| 233 | E | 96.7 | Very high | 95.9 | Very high | 121 Ų | 121 | 113.7 Ų | 113.7 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 172.9 | -67.3 | 178.7 | 157.4 | 0 | 0 | 111.6 | L229 R230 R235 L236 L237 | L229-E233 PolarHBondContact O-N 3.31Å; R230-E233 PolarHBondContact O-N 3.32Å; E233-R235 PolarHBondContact O-N 2.97Å; E233-L236 PolarHBondContact O-N 2.92Å; E233-L237 WeakPolarHBondContact O-CB 3.43Å; E233-L237 WeakPolarHBondContact O-CG 3.16Å; E233-L237 PolarHBondContact O-N 3.33Å |
| 234 | E | 96.7 | Very high | 95.6 | Very high | 129 Ų | 129 | 112.2 Ų | 112.2 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -38.8 | 175.8 | -74.4 | -172.8 | 177.7 | 0 | 0 | 112.6 | R230 L237 C238 | R230-E234 WeakPolarHBondContact O-CG 3.25Å; R230-E234 PolarHBondContact O-N 3.21Å; E234-L237 PolarHBondContact O-N 2.93Å; E234-C238 WeakPolarHBondContact O-CB 3.1Å; E234-C238 PolarHBondContact O-N 2.89Å; E234-C238 PolarHBondContact O-SG 3.2Å |
| 235 | R | 97.5 | Very high | 95.3 | Very high | 151 Ų | 151 | 107.7 Ų | 107.7 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 174.1 | -70.9 | 159.7 | -162.9 | -88.8 | 3.5 | 111.7 | E231 Q232 E233 C238 E239 | E231-R235 WeakPolarHBondContact O-CD 3.49Å; E231-R235 WeakPolarHBondContact O-CG 3.41Å; E231-R235 PolarHBondContact O-N 3.18Å; E231-R235 VanDerWaalsContact O-N 3.13Å; E231-R235 PolarHBondContact O-NE 3.1Å; E231-R235 IonicContact OE2-CZ 2.72Å; E231-R235 IonicContact OE2-NE 3.2Å; E231-R235 IonicContact OE2-NH2 3.85Å; E231-R235 PolarHBondContact OE2-NH2 2.87Å; Q232-R235 PolarHBondContact O-N 3.19Å; E233-R235 PolarHBondContact O-N 2.97Å; R235-C238 CarbonylContact O-C 3.59Å; R235-C238 WeakPolarHBondContact O-CB 3.43Å; R235-C238 PolarHBondContact O-N 3.41Å; R235-E239 PolarHBondContact O-N 3.2Å |
| 236 | L | 96.8 | Very high | 95 | Very high | 112 Ų | 112 | 108.4 Ų | 108.4 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -37.9 | 177.7 | -70.3 | 169.7 | 0 | 0 | 0 | 112.1 | Q232 E233 E239 Q240 | Q232-L236 WeakPolarHBondContact O-CG 3.43Å; Q232-L236 PolarHBondContact O-N 3.47Å; E233-L236 PolarHBondContact O-N 2.92Å; L236-E239 PolarHBondContact O-N 3.32Å; L236-Q240 WeakPolarHBondContact O-CB 3.49Å; L236-Q240 PolarHBondContact O-N 3.13Å |
| 237 | L | 95.3 | Very high | 94.8 | Very high | 95 Ų | 95 | 109.4 Ų | 109.4 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 170.7 | -78 | 162.2 | 0 | 0 | 0 | 111.2 | E233 E234 E239 Q240 E241 | E233-L237 WeakPolarHBondContact O-CB 3.43Å; E233-L237 WeakPolarHBondContact O-CG 3.16Å; E233-L237 PolarHBondContact O-N 3.33Å; E234-L237 PolarHBondContact O-N 2.93Å; L237-E239 PolarHBondContact O-N 2.97Å; L237-Q240 PolarHBondContact O-N 2.91Å; L237-E241 WeakPolarHBondContact O-CG 3.44Å; L237-E241 PolarHBondContact O-N 3.42Å |
| 238 | C | 92.8 | Very high | 94.8 | Very high | 65 Ų | 65 | 110.4 Ų | 110.4 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -16.4 | 175.3 | -72 | 0 | 0 | 0 | 0 | 113.7 | E234 R235 K242 | E234-C238 WeakPolarHBondContact O-CB 3.1Å; E234-C238 PolarHBondContact O-N 2.89Å; E234-C238 PolarHBondContact O-SG 3.2Å; R235-C238 CarbonylContact O-C 3.59Å; R235-C238 WeakPolarHBondContact O-CB 3.43Å; R235-C238 PolarHBondContact O-N 3.41Å; C238-K242 WeakPolarHBondContact O-CD 3.39Å; C238-K242 WeakPolarHBondContact O-CE 3.39Å; C238-K242 WeakPolarHBondContact O-CG 3.34Å; C238-K242 PolarHBondContact O-NZ 3.31Å |
| 239 | E | 93.4 | Very high | 94.7 | Very high | 113 Ų | 113 | 107.9 Ų | 107.9 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -87.9 | -42.6 | 170.1 | -73.3 | 179.2 | 172.7 | 0 | 0 | 111.2 | R235 L236 L237 E241 K242 | R235-E239 PolarHBondContact O-N 3.2Å; L236-E239 PolarHBondContact O-N 3.32Å; L237-E239 PolarHBondContact O-N 2.97Å; E239-E241 VanDerWaalsContact C-N 3.34Å; E239-E241 PolarHBondContact O-N 3.17Å; E239-K242 WeakPolarHBondContact O-CB 3.41Å; E239-K242 PolarHBondContact O-N 2.65Å |
| 240 | Q | 93.6 | Very high | 94.6 | Very high | 129 Ų | 129 | 108.9 Ų | 108.9 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.3 | -42.5 | 174.2 | -174.8 | 174.1 | 98.1 | 0 | 0 | 112.3 | L236 L237 K242 L243 P244 | L236-Q240 WeakPolarHBondContact O-CB 3.49Å; L236-Q240 PolarHBondContact O-N 3.13Å; L237-Q240 PolarHBondContact O-N 2.91Å; Q240-K242 PolarHBondContact O-N 3.24Å; Q240-L243 WeakPolarHBondContact O-CB 3.37Å; Q240-L243 PolarHBondContact O-N 2.68Å; Q240-L243 VanDerWaalsContact O-N 3.1Å; Q240-P244 WeakPolarHBondContact O-CD 3.48Å |
| 241 | E | 92.3 | Very high | 94.5 | Very high | 153 Ų | 153 | 106.8 Ų | 106.8 | 72% | 0.715 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20 | 176.7 | -73.1 | -168.9 | 158.3 | 0 | 0 | 113.8 | L237 E239 | L237-E241 WeakPolarHBondContact O-CG 3.44Å; L237-E241 PolarHBondContact O-N 3.42Å; E239-E241 VanDerWaalsContact C-N 3.34Å; E239-E241 PolarHBondContact O-N 3.17Å |
| 242 | K | 93.8 | Very high | 94.5 | Very high | 117 Ų | 117 | 108.2 Ų | 108.2 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -23.9 | 175.7 | -62.9 | 168.8 | -171.8 | 125.1 | 0 | 112.5 | C238 E239 Q240 G245 Q246 | C238-K242 WeakPolarHBondContact O-CD 3.39Å; C238-K242 WeakPolarHBondContact O-CE 3.39Å; C238-K242 WeakPolarHBondContact O-CG 3.34Å; C238-K242 PolarHBondContact O-NZ 3.31Å; E239-K242 WeakPolarHBondContact O-CB 3.41Å; E239-K242 PolarHBondContact O-N 2.65Å; Q240-K242 PolarHBondContact O-N 3.24Å; K242-G245 WeakPolarHBondContact O-CA 3.4Å; K242-G245 PolarHBondContact O-N 2.88Å; K242-Q246 PolarHBondContact O-N 2.92Å |
| 243 | L | 91.8 | Very high | 94.4 | Very high | 83 Ų | 83 | 107.1 Ų | 107.1 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | -177.6 | -61.9 | 174.3 | 0 | 0 | 0 | 112.3 | Q240 G245 Q246 E247 | Q240-L243 WeakPolarHBondContact O-CB 3.37Å; Q240-L243 PolarHBondContact O-N 2.68Å; Q240-L243 VanDerWaalsContact O-N 3.1Å; L243-G245 PolarHBondContact O-N 3.37Å; L243-Q246 WeakPolarHBondContact O-CA 3.49Å; L243-Q246 WeakPolarHBondContact O-CB 3.34Å; L243-Q246 PolarHBondContact O-N 3.21Å; L243-E247 WeakPolarHBondContact O-CG 3.48Å; L243-E247 PolarHBondContact O-N 3.06Å |
| 244 | P | 89.8 | Confident | 94.5 | Very high | 51 Ų | 51 | 107.9 Ų | 107.9 | 33% | 0.331 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.7 | -22.6 | 171.9 | -27.1 | 36.1 | 0 | 0 | 0 | 114.6 | Q240 E247 R248 | Q240-P244 WeakPolarHBondContact O-CD 3.48Å; P244-E247 WeakPolarHBondContact CA-OE2 3.33Å; P244-R248 WeakPolarHBondContact O-CG 3.35Å; P244-R248 PolarHBondContact O-N 2.99Å; P244-R248 PolarHBondContact O-NE 3.41Å; P244-R248 PolarHBondContact O-NH1 2.77Å |
| 245 | G | 91.3 | Very high | 94.5 | Very high | 24 Ų | 24 | 106.9 Ų | 106.9 | 25% | 0.247 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -71.5 | -41 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K242 L243 L249 | K242-G245 WeakPolarHBondContact O-CA 3.4Å; K242-G245 PolarHBondContact O-N 2.88Å; L243-G245 PolarHBondContact O-N 3.37Å; G245-L249 WeakPolarHBondContact O-CG 3.49Å; G245-L249 PolarHBondContact O-N 3.03Å |
| 246 | Q | 91.6 | Very high | 94.5 | Very high | 110 Ų | 110 | 104.8 Ų | 104.8 | 51% | 0.514 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72 | -41.9 | 176.8 | -60.3 | 176.4 | 33.7 | 0 | 0 | 111.2 | K242 L243 R248 L249 L250 | K242-Q246 PolarHBondContact O-N 2.92Å; L243-Q246 WeakPolarHBondContact O-CA 3.49Å; L243-Q246 WeakPolarHBondContact O-CB 3.34Å; L243-Q246 PolarHBondContact O-N 3.21Å; Q246-R248 PolarHBondContact O-N 3.06Å; Q246-L249 PolarHBondContact O-N 2.71Å; Q246-L249 VanDerWaalsContact O-N 3.13Å; Q246-L250 WeakPolarHBondContact O-CG 3.07Å; Q246-L250 PolarHBondContact O-N 3.33Å |
| 247 | E | 93 | Very high | 94.5 | Very high | 120 Ų | 120 | 103.8 Ų | 103.8 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.2 | -45.8 | 175.4 | -70.3 | 168.6 | 174.2 | 0 | 0 | 111.9 | L243 P244 L249 L250 E251 | L243-E247 WeakPolarHBondContact O-CG 3.48Å; L243-E247 PolarHBondContact O-N 3.06Å; P244-E247 WeakPolarHBondContact CA-OE2 3.33Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.67Å; E247-L250 PolarHBondContact O-N 3.43Å; E247-E251 WeakPolarHBondContact O-CB 3.43Å; E247-E251 PolarHBondContact O-N 3.37Å |
| 248 | R | 95.6 | Very high | 94.6 | Very high | 152 Ų | 152 | 104 Ų | 104 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -36.6 | 176.1 | -75.1 | -175.2 | -60.7 | -91.5 | 5 | 113.3 | P244 Q246 E251 E252 | P244-R248 WeakPolarHBondContact O-CG 3.35Å; P244-R248 PolarHBondContact O-N 2.99Å; P244-R248 PolarHBondContact O-NE 3.41Å; P244-R248 PolarHBondContact O-NH1 2.77Å; Q246-R248 PolarHBondContact O-N 3.06Å; R248-E251 PolarHBondContact O-N 3.37Å; R248-E252 WeakPolarHBondContact O-CB 3.44Å; R248-E252 PolarHBondContact O-N 3.03Å |
| 249 | L | 96.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 106 Ų | 106 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70 | -36.7 | 176.1 | -70.3 | 169.7 | 0 | 0 | 0 | 111.6 | G245 Q246 E247 E252 V253 | G245-L249 WeakPolarHBondContact O-CG 3.49Å; G245-L249 PolarHBondContact O-N 3.03Å; Q246-L249 PolarHBondContact O-N 2.71Å; Q246-L249 VanDerWaalsContact O-N 3.13Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.67Å; L249-E252 PolarHBondContact O-N 3.49Å; L249-V253 WeakPolarHBondContact O-CG2 3.41Å; L249-V253 PolarHBondContact O-N 3.28Å |
| 250 | L | 95.3 | Very high | 95.1 | Very high | 120 Ų | 120 | 105.7 Ų | 105.7 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | 173.1 | -68.6 | 170 | 0 | 0 | 0 | 111.4 | Q246 E247 E252 V253 E254 | Q246-L250 WeakPolarHBondContact O-CG 3.07Å; Q246-L250 PolarHBondContact O-N 3.33Å; E247-L250 PolarHBondContact O-N 3.43Å; L250-E252 VanDerWaalsContact C-N 3.26Å; L250-E252 PolarHBondContact O-N 2.9Å; L250-V253 PolarHBondContact O-N 3.44Å; L250-E254 WeakPolarHBondContact O-CB 3.42Å; L250-E254 PolarHBondContact O-N 3.35Å |
| 251 | E | 95.6 | Very high | 95.3 | Very high | 98 Ų | 98 | 107.4 Ų | 107.4 | 46% | 0.458 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -30.2 | 175.4 | -157.9 | -157.3 | 149.7 | 0 | 0 | 112.4 | E247 R248 K255 | E247-E251 WeakPolarHBondContact O-CB 3.43Å; E247-E251 PolarHBondContact O-N 3.37Å; R248-E251 PolarHBondContact O-N 3.37Å; E251-K255 VanDerWaalsContact O-CD 3.22Å; E251-K255 WeakPolarHBondContact O-CD 3.24Å; E251-K255 WeakPolarHBondContact O-CE 3.35Å; E251-K255 VanDerWaalsContact O-CG 3.24Å; E251-K255 WeakPolarHBondContact O-CG 3.46Å; E251-K255 PolarHBondContact O-N 2.94Å; E251-K255 WeakPolarHBondContact OE1-CE 3.47Å; E251-K255 IonicContact OE1-NZ 3.57Å; E251-K255 PolarHBondContact OE1-NZ 3.39Å; E251-K255 IonicContact OE2-NZ 3.38Å |
| 252 | E | 96.9 | Very high | 95.5 | Very high | 121 Ų | 121 | 106.3 Ų | 106.3 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -76.7 | -39.9 | 174.8 | -169.3 | 159.9 | -139.5 | 0 | 0 | 112 | R248 L249 L250 K255 L256 | R248-E252 WeakPolarHBondContact O-CB 3.44Å; R248-E252 PolarHBondContact O-N 3.03Å; L249-E252 PolarHBondContact O-N 3.49Å; L250-E252 VanDerWaalsContact C-N 3.26Å; L250-E252 PolarHBondContact O-N 2.9Å; E252-K255 PolarHBondContact O-N 3.41Å; E252-L256 WeakPolarHBondContact O-CG 3.22Å; E252-L256 PolarHBondContact O-N 2.85Å; E252-L256 VanDerWaalsContact O-N 3.15Å |
| 253 | V | 96.9 | Very high | 95.7 | Very high | 80 Ų | 80 | 105.6 Ų | 105.6 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 172.1 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | L249 L250 K255 L256 L257 | L249-V253 WeakPolarHBondContact O-CG2 3.41Å; L249-V253 PolarHBondContact O-N 3.28Å; L250-V253 PolarHBondContact O-N 3.44Å; V253-K255 VanDerWaalsContact C-N 3.33Å; V253-K255 PolarHBondContact O-N 3.13Å; V253-L256 PolarHBondContact O-N 3.23Å; V253-L257 HydrophobicContact CG1-CD1 3.96Å; V253-L257 HydrophobicContact CG1-CG 4.4Å; V253-L257 WeakPolarHBondContact O-CG 3.42Å; V253-L257 PolarHBondContact O-N 3.15Å |
| 254 | E | 97.4 | Very high | 95.9 | Very high | 137 Ų | 137 | 105.4 Ų | 105.4 | 64% | 0.64 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.8 | -41.5 | 177.1 | -175.6 | 172.4 | -148.9 | 0 | 0 | 111.7 | L250 L257 E258 | L250-E254 WeakPolarHBondContact O-CB 3.42Å; L250-E254 PolarHBondContact O-N 3.35Å; E254-L257 PolarHBondContact O-N 3.1Å; E254-E258 PolarHBondContact O-N 3.47Å |
| 255 | K | 98 | Very high | 96.3 | Very high | 108 Ų | 108 | 108.2 Ų | 108.2 | 47% | 0.47 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 175.1 | -71.3 | 161.2 | -167 | 156 | 0 | 112.9 | E251 E252 V253 E258 Q259 | E251-K255 VanDerWaalsContact O-CD 3.22Å; E251-K255 WeakPolarHBondContact O-CD 3.24Å; E251-K255 WeakPolarHBondContact O-CE 3.35Å; E251-K255 VanDerWaalsContact O-CG 3.24Å; E251-K255 WeakPolarHBondContact O-CG 3.46Å; E251-K255 PolarHBondContact O-N 2.94Å; E251-K255 WeakPolarHBondContact OE1-CE 3.47Å; E251-K255 IonicContact OE1-NZ 3.57Å; E251-K255 PolarHBondContact OE1-NZ 3.39Å; E251-K255 IonicContact OE2-NZ 3.38Å; E252-K255 PolarHBondContact O-N 3.41Å; V253-K255 VanDerWaalsContact C-N 3.33Å; V253-K255 PolarHBondContact O-N 3.13Å; K255-E258 PolarHBondContact O-N 3.35Å; K255-Q259 WeakPolarHBondContact O-CB 3.4Å; K255-Q259 PolarHBondContact O-N 3.21Å |
| 256 | L | 97.8 | Very high | 96.5 | Very high | 107 Ų | 107 | 113.1 Ų | 113.1 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.1 | -43.2 | 175.4 | -70.8 | 170.8 | 0 | 0 | 0 | 111.2 | E252 V253 Q259 E260 | E252-L256 WeakPolarHBondContact O-CG 3.22Å; E252-L256 PolarHBondContact O-N 2.85Å; E252-L256 VanDerWaalsContact O-N 3.15Å; V253-L256 PolarHBondContact O-N 3.23Å; L256-Q259 PolarHBondContact O-N 2.99Å; L256-E260 WeakPolarHBondContact O-CB 3.24Å; L256-E260 PolarHBondContact O-N 2.98Å |
| 257 | L | 96.9 | Very high | 96.8 | Very high | 90 Ų | 90 | 114 Ų | 114 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 174.9 | -69.5 | 169.1 | 0 | 0 | 0 | 112.3 | V253 E254 Q259 E260 R261 | V253-L257 HydrophobicContact CG1-CD1 3.96Å; V253-L257 HydrophobicContact CG1-CG 4.4Å; V253-L257 WeakPolarHBondContact O-CG 3.42Å; V253-L257 PolarHBondContact O-N 3.15Å; E254-L257 PolarHBondContact O-N 3.1Å; L257-Q259 VanDerWaalsContact C-N 3.35Å; L257-E260 PolarHBondContact O-N 2.88Å; L257-R261 WeakPolarHBondContact O-CB 3.38Å; L257-R261 VanDerWaalsContact O-CG 3.26Å; L257-R261 WeakPolarHBondContact O-CG 3.43Å; L257-R261 PolarHBondContact O-N 2.94Å |
| 258 | E | 96.9 | Very high | 97.1 | Very high | 99 Ų | 99 | 115.1 Ų | 115.1 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.6 | -35.3 | 174.5 | -153.2 | -159.4 | -177.6 | 0 | 0 | 111.7 | E254 K255 R262 | E254-E258 PolarHBondContact O-N 3.47Å; K255-E258 PolarHBondContact O-N 3.35Å; E258-R262 WeakPolarHBondContact O-CD 3.48Å; E258-R262 VanDerWaalsContact O-CG 3.24Å; E258-R262 WeakPolarHBondContact O-CG 3.23Å; E258-R262 PolarHBondContact O-N 2.95Å; E258-R262 VanDerWaalsContact O-N 3.1Å; E258-R262 IonicContact OE1-CZ 2.74Å; E258-R262 IonicContact OE1-NE 2.72Å; E258-R262 IonicContact OE1-NH2 3.39Å; E258-R262 PolarHBondContact OE1-NH2 3.45Å; E258-R262 IonicContact OE2-CZ 3.09Å; E258-R262 IonicContact OE2-NH1 2.66Å; E258-R262 PolarHBondContact OE2-NH1 3.22Å; E258-R262 IonicContact OE2-NH2 3.07Å; E258-R262 PolarHBondContact OE2-NH2 3.49Å |
| 259 | Q | 97.5 | Very high | 97.2 | Very high | 107 Ų | 107 | 113.1 Ų | 113.1 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 173 | -179 | 177.6 | -38 | 0 | 0 | 111.8 | K255 L256 L257 R261 R262 Q263 | K255-Q259 WeakPolarHBondContact O-CB 3.4Å; K255-Q259 PolarHBondContact O-N 3.21Å; L256-Q259 PolarHBondContact O-N 2.99Å; L257-Q259 VanDerWaalsContact C-N 3.35Å; Q259-R261 PolarHBondContact O-N 2.86Å; Q259-R262 PolarHBondContact O-N 3.3Å; Q259-Q263 WeakPolarHBondContact O-CG 3.42Å; Q259-Q263 PolarHBondContact O-N 3.25Å |
| 260 | E | 97.8 | Very high | 97.2 | Very high | 108 Ų | 108 | 112.1 Ų | 112.1 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 176.9 | -177.3 | 171.9 | -134.8 | 0 | 0 | 111.1 | L256 L257 R262 Q263 E264 | L256-E260 WeakPolarHBondContact O-CB 3.24Å; L256-E260 PolarHBondContact O-N 2.98Å; L257-E260 PolarHBondContact O-N 2.88Å; E260-R262 VanDerWaalsContact C-N 3.34Å; E260-R262 PolarHBondContact O-N 3.38Å; E260-Q263 WeakPolarHBondContact O-CA 3.35Å; E260-Q263 WeakPolarHBondContact O-CB 3.46Å; E260-Q263 PolarHBondContact O-N 3.01Å; E260-E264 PolarHBondContact O-N 3.49Å |
| 261 | R | 97.9 | Very high | 97.3 | Very high | 165 Ų | 165 | 111.6 Ų | 111.6 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -36.4 | 176.2 | -69.1 | 176.9 | 73.2 | -178.3 | 3.8 | 113.1 | L257 Q259 Q263 E264 E265 | L257-R261 WeakPolarHBondContact O-CB 3.38Å; L257-R261 VanDerWaalsContact O-CG 3.26Å; L257-R261 WeakPolarHBondContact O-CG 3.43Å; L257-R261 PolarHBondContact O-N 2.94Å; Q259-R261 PolarHBondContact O-N 2.86Å; R261-Q263 VanDerWaalsContact C-N 3.29Å; R261-Q263 PolarHBondContact O-N 3.09Å; R261-E264 PolarHBondContact O-N 2.95Å; R261-E265 WeakPolarHBondContact O-CB 3.26Å; R261-E265 WeakPolarHBondContact O-CG 3.36Å; R261-E265 PolarHBondContact O-N 2.88Å |
| 262 | R | 97.3 | Very high | 97.4 | Very high | 129 Ų | 129 | 114.7 Ų | 114.7 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -28.6 | 172.3 | -72.4 | 167.4 | -179 | 157.7 | 0.9 | 112.6 | E258 Q259 E260 Q266 | E258-R262 WeakPolarHBondContact O-CD 3.48Å; E258-R262 VanDerWaalsContact O-CG 3.24Å; E258-R262 WeakPolarHBondContact O-CG 3.23Å; E258-R262 PolarHBondContact O-N 2.95Å; E258-R262 VanDerWaalsContact O-N 3.1Å; E258-R262 IonicContact OE1-CZ 2.74Å; E258-R262 IonicContact OE1-NE 2.72Å; E258-R262 IonicContact OE1-NH2 3.39Å; E258-R262 PolarHBondContact OE1-NH2 3.45Å; E258-R262 IonicContact OE2-CZ 3.09Å; E258-R262 IonicContact OE2-NH1 2.66Å; E258-R262 PolarHBondContact OE2-NH1 3.22Å; E258-R262 IonicContact OE2-NH2 3.07Å; E258-R262 PolarHBondContact OE2-NH2 3.49Å; Q259-R262 PolarHBondContact O-N 3.3Å; E260-R262 VanDerWaalsContact C-N 3.34Å; E260-R262 PolarHBondContact O-N 3.38Å; R262-Q266 WeakPolarHBondContact O-CG 3.39Å; R262-Q266 PolarHBondContact O-N 3.32Å |
| 263 | Q | 97.1 | Very high | 97.4 | Very high | 103 Ų | 103 | 114.3 Ų | 114.3 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.5 | -47.1 | 172.9 | -69.4 | 176.4 | -65.8 | 0 | 0 | 110.7 | Q259 E260 R261 E265 Q266 E267 | Q259-Q263 WeakPolarHBondContact O-CG 3.42Å; Q259-Q263 PolarHBondContact O-N 3.25Å; E260-Q263 WeakPolarHBondContact O-CA 3.35Å; E260-Q263 WeakPolarHBondContact O-CB 3.46Å; E260-Q263 PolarHBondContact O-N 3.01Å; R261-Q263 VanDerWaalsContact C-N 3.29Å; R261-Q263 PolarHBondContact O-N 3.09Å; Q263-E265 VanDerWaalsContact C-N 3.27Å; Q263-E265 PolarHBondContact O-N 2.9Å; Q263-Q266 PolarHBondContact O-N 3.26Å; Q263-Q266 VanDerWaalsContact O-N 3.1Å; Q263-E267 PolarHBondContact O-N 3.5Å |
| 264 | E | 97.4 | Very high | 97.5 | Very high | 78 Ų | 78 | 118.4 Ų | 118.4 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -54.4 | -42.7 | 171.8 | -70.6 | -172.6 | -174.7 | 0 | 0 | 112.2 | E260 R261 E267 R268 | E260-E264 PolarHBondContact O-N 3.49Å; R261-E264 PolarHBondContact O-N 2.95Å; E264-E267 PolarHBondContact O-N 3.1Å; E264-R268 WeakPolarHBondContact O-CB 3.27Å; E264-R268 WeakPolarHBondContact O-CD 3.49Å; E264-R268 WeakPolarHBondContact O-CG 3.37Å; E264-R268 PolarHBondContact O-N 3.2Å; E264-R268 IonicContact OE2-CZ 3.9Å; E264-R268 IonicContact OE2-NH1 3.65Å; E264-R268 IonicContact OE2-NH2 3.56Å; E264-R268 PolarHBondContact OE2-NH2 2.88Å |
| 265 | E | 97.6 | Very high | 97.6 | Very high | 110 Ų | 110 | 116.8 Ų | 116.8 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 178.6 | -76.8 | 176.1 | -180 | 0 | 0 | 112.4 | R261 Q263 L269 | R261-E265 WeakPolarHBondContact O-CB 3.26Å; R261-E265 WeakPolarHBondContact O-CG 3.36Å; R261-E265 PolarHBondContact O-N 2.88Å; Q263-E265 VanDerWaalsContact C-N 3.27Å; Q263-E265 PolarHBondContact O-N 2.9Å; E265-L269 WeakPolarHBondContact O-CB 3.49Å; E265-L269 VanDerWaalsContact O-CG 3.23Å; E265-L269 WeakPolarHBondContact O-CG 3.19Å; E265-L269 PolarHBondContact O-N 3Å; E265-L269 VanDerWaalsContact O-N 3.09Å |
| 266 | Q | 96.4 | Very high | 97.5 | Very high | 128 Ų | 128 | 116.4 Ų | 116.4 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.2 | -41.5 | 172.7 | -74.2 | 177.2 | 17.2 | 0 | 0 | 112.1 | R262 Q263 L269 L270 | R262-Q266 WeakPolarHBondContact O-CG 3.39Å; R262-Q266 PolarHBondContact O-N 3.32Å; Q263-Q266 PolarHBondContact O-N 3.26Å; Q263-Q266 VanDerWaalsContact O-N 3.1Å; Q266-L269 PolarHBondContact O-N 3.37Å; Q266-L270 WeakPolarHBondContact O-CG 3.46Å; Q266-L270 PolarHBondContact O-N 3.48Å |
| 267 | E | 97.5 | Very high | 97.5 | Very high | 128 Ų | 128 | 115.6 Ų | 115.6 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 176.4 | -70.6 | -176.2 | 160.8 | 0 | 0 | 111.3 | Q263 E264 L269 L270 E271 | Q263-E267 PolarHBondContact O-N 3.5Å; E264-E267 PolarHBondContact O-N 3.1Å; E267-L269 VanDerWaalsContact C-N 3.28Å; E267-L269 PolarHBondContact O-N 2.87Å; E267-L270 PolarHBondContact O-N 3.48Å; E267-L270 VanDerWaalsContact O-N 3.14Å; E267-E271 WeakPolarHBondContact O-CG 3.44Å; E267-E271 PolarHBondContact O-N 3.01Å |
| 268 | R | 98 | Very high | 97.6 | Very high | 143 Ų | 143 | 116.7 Ų | 116.7 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -32.7 | 174.1 | -71.1 | 168.2 | -171.4 | 176.4 | 8.5 | 113.3 | E264 R272 | E264-R268 WeakPolarHBondContact O-CB 3.27Å; E264-R268 WeakPolarHBondContact O-CD 3.49Å; E264-R268 WeakPolarHBondContact O-CG 3.37Å; E264-R268 PolarHBondContact O-N 3.2Å; E264-R268 IonicContact OE2-CZ 3.9Å; E264-R268 IonicContact OE2-NH1 3.65Å; E264-R268 IonicContact OE2-NH2 3.56Å; E264-R268 PolarHBondContact OE2-NH2 2.88Å; R268-R272 VanDerWaalsContact O-CB 3.27Å; R268-R272 WeakPolarHBondContact O-CB 3.36Å; R268-R272 PolarHBondContact O-N 2.64Å |
| 269 | L | 98 | Very high | 97.6 | Very high | 110 Ų | 110 | 115.7 Ų | 115.7 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.4 | -42.4 | 173.9 | -75.9 | 169.4 | 0 | 0 | 0 | 111.4 | E265 Q266 E267 R272 E273 | E265-L269 WeakPolarHBondContact O-CB 3.49Å; E265-L269 VanDerWaalsContact O-CG 3.23Å; E265-L269 WeakPolarHBondContact O-CG 3.19Å; E265-L269 PolarHBondContact O-N 3Å; E265-L269 VanDerWaalsContact O-N 3.09Å; Q266-L269 PolarHBondContact O-N 3.37Å; E267-L269 VanDerWaalsContact C-N 3.28Å; E267-L269 PolarHBondContact O-N 2.87Å; L269-R272 PolarHBondContact O-N 3.14Å; L269-E273 WeakPolarHBondContact O-CB 3.39Å; L269-E273 PolarHBondContact O-N 2.81Å |
| 270 | L | 97.5 | Very high | 97.6 | Very high | 85 Ų | 85 | 116.3 Ų | 116.3 | 45% | 0.445 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 175.7 | -68.7 | 166.9 | 0 | 0 | 0 | 112.5 | Q266 E267 E273 R274 | Q266-L270 WeakPolarHBondContact O-CG 3.46Å; Q266-L270 PolarHBondContact O-N 3.48Å; E267-L270 PolarHBondContact O-N 3.48Å; E267-L270 VanDerWaalsContact O-N 3.14Å; L270-E273 PolarHBondContact O-N 3.24Å; L270-R274 VanDerWaalsContact O-CG 3.29Å; L270-R274 WeakPolarHBondContact O-CG 3.32Å; L270-R274 PolarHBondContact O-N 3.04Å; L270-R274 VanDerWaalsContact O-N 3.1Å |
| 271 | E | 97.5 | Very high | 97.6 | Very high | 109 Ų | 109 | 117.3 Ų | 117.3 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 170.7 | -73.5 | -178.2 | 154.1 | 0 | 0 | 111.2 | E267 E273 R274 L275 | E267-E271 WeakPolarHBondContact O-CG 3.44Å; E267-E271 PolarHBondContact O-N 3.01Å; E271-E273 VanDerWaalsContact C-N 3.34Å; E271-E273 PolarHBondContact O-N 2.88Å; E271-R274 PolarHBondContact O-N 3.47Å; E271-L275 WeakPolarHBondContact O-CB 3.4Å; E271-L275 VanDerWaalsContact O-CG 3.3Å; E271-L275 WeakPolarHBondContact O-CG 3.46Å; E271-L275 PolarHBondContact O-N 3.39Å |
| 272 | R | 97.3 | Very high | 97.6 | Very high | 163 Ų | 163 | 113.5 Ų | 113.5 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.5 | -36.8 | 175.6 | -178.4 | 177.8 | 176 | -171.7 | -2.2 | 112.5 | R268 L269 L275 L276 | R268-R272 VanDerWaalsContact O-CB 3.27Å; R268-R272 WeakPolarHBondContact O-CB 3.36Å; R268-R272 PolarHBondContact O-N 2.64Å; L269-R272 PolarHBondContact O-N 3.14Å; R272-L275 PolarHBondContact O-N 2.99Å; R272-L276 HydrophobicContact CG-CD1 4.44Å; R272-L276 WeakPolarHBondContact O-CG 3.47Å; R272-L276 PolarHBondContact O-N 2.99Å |
| 273 | E | 97.6 | Very high | 97.7 | Very high | 113 Ų | 113 | 112 Ų | 112 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -52.7 | 174.9 | -169.6 | 168.2 | -143.2 | 0 | 0 | 110.3 | L269 L270 E271 L275 L276 D277 | L269-E273 WeakPolarHBondContact O-CB 3.39Å; L269-E273 PolarHBondContact O-N 2.81Å; L270-E273 PolarHBondContact O-N 3.24Å; E271-E273 VanDerWaalsContact C-N 3.34Å; E271-E273 PolarHBondContact O-N 2.88Å; E273-L275 VanDerWaalsContact C-N 3.29Å; E273-L275 PolarHBondContact O-N 2.94Å; E273-L276 WeakPolarHBondContact O-CA 3.29Å; E273-L276 WeakPolarHBondContact O-CB 3.24Å; E273-L276 PolarHBondContact O-N 2.98Å; E273-D277 PolarHBondContact O-N 3.43Å |
| 274 | R | 98.2 | Very high | 97.7 | Very high | 166 Ų | 166 | 112.2 Ų | 112.2 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -56.5 | -39.4 | 175.1 | -67 | 166.5 | -172.5 | 169 | 5.2 | 113.5 | L270 E271 L276 D277 E278 | L270-R274 VanDerWaalsContact O-CG 3.29Å; L270-R274 WeakPolarHBondContact O-CG 3.32Å; L270-R274 PolarHBondContact O-N 3.04Å; L270-R274 VanDerWaalsContact O-N 3.1Å; E271-R274 PolarHBondContact O-N 3.47Å; R274-L276 VanDerWaalsContact C-N 3.31Å; R274-D277 PolarHBondContact O-N 3.1Å; R274-E278 PolarHBondContact O-N 3.3Å |
| 275 | L | 98.3 | Very high | 97.6 | Very high | 103 Ų | 103 | 112.4 Ų | 112.4 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.6 | -23.9 | 177 | -72.6 | 169.8 | 0 | 0 | 0 | 112.9 | E271 R272 E273 V279 | E271-L275 WeakPolarHBondContact O-CB 3.4Å; E271-L275 VanDerWaalsContact O-CG 3.3Å; E271-L275 WeakPolarHBondContact O-CG 3.46Å; E271-L275 PolarHBondContact O-N 3.39Å; R272-L275 PolarHBondContact O-N 2.99Å; E273-L275 VanDerWaalsContact C-N 3.29Å; E273-L275 PolarHBondContact O-N 2.94Å; L275-V279 WeakPolarHBondContact O-CB 3.44Å; L275-V279 WeakPolarHBondContact O-CG2 3.3Å; L275-V279 PolarHBondContact O-N 2.97Å |
| 276 | L | 97.8 | Very high | 97.6 | Very high | 101 Ų | 101 | 110.6 Ų | 110.6 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -76 | -42.2 | 170.3 | -72 | 168.5 | 0 | 0 | 0 | 110.6 | R272 E273 R274 V279 E280 | R272-L276 HydrophobicContact CG-CD1 4.44Å; R272-L276 WeakPolarHBondContact O-CG 3.47Å; R272-L276 PolarHBondContact O-N 2.99Å; E273-L276 WeakPolarHBondContact O-CA 3.29Å; E273-L276 WeakPolarHBondContact O-CB 3.24Å; E273-L276 PolarHBondContact O-N 2.98Å; R274-L276 VanDerWaalsContact C-N 3.31Å; L276-V279 PolarHBondContact O-N 3.25Å; L276-E280 PolarHBondContact O-N 2.99Å |
| 277 | D | 97.5 | Very high | 97.7 | Very high | 90 Ų | 90 | 111.5 Ų | 111.5 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 174.6 | -58.9 | -29.9 | 0 | 0 | 0 | 111.1 | E273 R274 V279 E280 E281 | E273-D277 PolarHBondContact O-N 3.43Å; R274-D277 PolarHBondContact O-N 3.1Å; D277-V279 VanDerWaalsContact C-N 3.32Å; D277-V279 PolarHBondContact O-N 3.15Å; D277-E280 PolarHBondContact O-N 3.28Å; D277-E280 VanDerWaalsContact O-N 3.15Å; D277-E281 PolarHBondContact O-N 3.28Å |
| 278 | E | 97.9 | Very high | 97.7 | Very high | 113 Ų | 113 | 110.2 Ų | 110.2 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 177.6 | -175 | 175.6 | -164.3 | 0 | 0 | 112.2 | R274 L282 | R274-E278 PolarHBondContact O-N 3.3Å; E278-L282 HydrophobicContact CG-CD1 4.35Å; E278-L282 WeakPolarHBondContact O-CB 3.47Å; E278-L282 VanDerWaalsContact O-CG 3.25Å; E278-L282 WeakPolarHBondContact O-CG 3.21Å; E278-L282 PolarHBondContact O-N 2.67Å |
| 279 | V | 97.9 | Very high | 97.6 | Very high | 78 Ų | 78 | 109.5 Ų | 109.5 | 47% | 0.473 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.6 | -35.7 | 175 | 166.6 | 0 | 0 | 0 | 0 | 111.8 | L275 L276 D277 L282 L283 | L275-V279 WeakPolarHBondContact O-CB 3.44Å; L275-V279 WeakPolarHBondContact O-CG2 3.3Å; L275-V279 PolarHBondContact O-N 2.97Å; L276-V279 PolarHBondContact O-N 3.25Å; D277-V279 VanDerWaalsContact C-N 3.32Å; D277-V279 PolarHBondContact O-N 3.15Å; V279-L282 PolarHBondContact O-N 3.01Å; V279-L283 HydrophobicContact CG1-CD1 4.04Å; V279-L283 WeakPolarHBondContact O-CB 3.43Å; V279-L283 VanDerWaalsContact O-CG 3.24Å; V279-L283 WeakPolarHBondContact O-CG 3.25Å; V279-L283 PolarHBondContact O-N 3.48Å |
| 280 | E | 97.7 | Very high | 97.6 | Very high | 120 Ų | 120 | 108 Ų | 108 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.3 | -45.4 | 174.5 | -174 | 149.5 | -141.1 | 0 | 0 | 111.2 | L276 D277 L282 L283 E284 | L276-E280 PolarHBondContact O-N 2.99Å; D277-E280 PolarHBondContact O-N 3.28Å; D277-E280 VanDerWaalsContact O-N 3.15Å; E280-L282 VanDerWaalsContact C-N 3.33Å; E280-L282 PolarHBondContact O-N 3.38Å; E280-L283 PolarHBondContact O-N 2.91Å; E280-L283 VanDerWaalsContact O-N 3.13Å; E280-E284 WeakPolarHBondContact O-CG 3.26Å; E280-E284 PolarHBondContact O-N 3.36Å |
| 281 | E | 97.7 | Very high | 97.5 | Very high | 128 Ų | 128 | 108.8 Ų | 108.8 | 60% | 0.598 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.2 | -44 | 172.7 | -74.3 | -165.2 | 178.3 | 0 | 0 | 112.4 | D277 L283 E284 Q285 | D277-E281 PolarHBondContact O-N 3.28Å; E281-L283 VanDerWaalsContact C-N 3.35Å; E281-L283 PolarHBondContact O-N 2.92Å; E281-E284 PolarHBondContact O-N 3.05Å; E281-Q285 WeakPolarHBondContact O-CG 3.48Å; E281-Q285 PolarHBondContact O-N 3.36Å |
| 282 | L | 97.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 108.6 Ų | 108.6 | 45% | 0.45 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -36 | 177.6 | -73.9 | 170 | 0 | 0 | 0 | 112.5 | E278 V279 E280 E286 | E278-L282 HydrophobicContact CG-CD1 4.35Å; E278-L282 WeakPolarHBondContact O-CB 3.47Å; E278-L282 VanDerWaalsContact O-CG 3.25Å; E278-L282 WeakPolarHBondContact O-CG 3.21Å; E278-L282 PolarHBondContact O-N 2.67Å; V279-L282 PolarHBondContact O-N 3.01Å; E280-L282 VanDerWaalsContact C-N 3.33Å; E280-L282 PolarHBondContact O-N 3.38Å; L282-E286 WeakPolarHBondContact O-CB 3.37Å; L282-E286 PolarHBondContact O-N 3.08Å |
| 283 | L | 97.9 | Very high | 97.5 | Very high | 98 Ų | 98 | 106.1 Ų | 106.1 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.6 | -34.2 | 174.1 | -73.1 | 168.8 | 0 | 0 | 0 | 112.1 | V279 E280 E281 R287 | V279-L283 HydrophobicContact CG1-CD1 4.04Å; V279-L283 WeakPolarHBondContact O-CB 3.43Å; V279-L283 VanDerWaalsContact O-CG 3.24Å; V279-L283 WeakPolarHBondContact O-CG 3.25Å; V279-L283 PolarHBondContact O-N 3.48Å; E280-L283 PolarHBondContact O-N 2.91Å; E280-L283 VanDerWaalsContact O-N 3.13Å; E281-L283 VanDerWaalsContact C-N 3.35Å; E281-L283 PolarHBondContact O-N 2.92Å; L283-R287 VanDerWaalsContact O-CG 3.26Å; L283-R287 WeakPolarHBondContact O-CG 3.39Å; L283-R287 PolarHBondContact O-N 3.49Å |
| 284 | E | 97.1 | Very high | 97.5 | Very high | 107 Ų | 107 | 107.1 Ų | 107.1 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69 | -45.3 | 172.5 | -64.8 | -141.8 | 128.9 | 0 | 0 | 112.1 | E280 E281 E286 R287 L288 | E280-E284 WeakPolarHBondContact O-CG 3.26Å; E280-E284 PolarHBondContact O-N 3.36Å; E281-E284 PolarHBondContact O-N 3.05Å; E284-E286 PolarHBondContact O-N 3.04Å; E284-R287 WeakPolarHBondContact O-CB 3.46Å; E284-R287 PolarHBondContact O-N 3.13Å; E284-L288 WeakPolarHBondContact O-CG 3.33Å; E284-L288 PolarHBondContact O-N 2.97Å |
| 285 | Q | 97 | Very high | 97.4 | Very high | 82 Ų | 82 | 103.3 Ų | 103.3 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.7 | -41.3 | 173.8 | -73.1 | 176.2 | 42.6 | 0 | 0 | 111.8 | E281 L288 R289 | E281-Q285 WeakPolarHBondContact O-CG 3.48Å; E281-Q285 PolarHBondContact O-N 3.36Å; Q285-L288 PolarHBondContact O-N 2.91Å; Q285-R289 WeakPolarHBondContact O-CG 3.4Å; Q285-R289 PolarHBondContact O-N 3.49Å |
| 286 | E | 97.3 | Very high | 97.4 | Very high | 72 Ų | 72 | 107 Ų | 107 | 34% | 0.336 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.6 | -37.4 | 179.6 | -173.2 | 50.7 | -145.4 | 0 | 0 | 112.5 | L282 E284 L288 R289 Q290 | L282-E286 WeakPolarHBondContact O-CB 3.37Å; L282-E286 PolarHBondContact O-N 3.08Å; E284-E286 PolarHBondContact O-N 3.04Å; E286-L288 VanDerWaalsContact C-N 3.3Å; E286-L288 PolarHBondContact O-N 3.2Å; E286-R289 PolarHBondContact O-N 3.3Å; E286-R289 IonicContact OE2-CZ 3.52Å; E286-R289 IonicContact OE2-NH1 2.69Å; E286-R289 PolarHBondContact OE2-NH1 3.05Å; E286-Q290 VanDerWaalsContact O-CG 3.31Å; E286-Q290 WeakPolarHBondContact O-CG 3.31Å; E286-Q290 PolarHBondContact O-N 3.29Å; E286-Q290 PolarHBondContact OE1-NE2 3.32Å |
| 287 | R | 98 | Very high | 97.3 | Very high | 147 Ų | 147 | 107 Ų | 107 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.7 | -40.1 | 169.9 | -73.9 | 167.2 | -179.3 | 170.7 | 4.3 | 112.1 | L283 E284 Q291 | L283-R287 VanDerWaalsContact O-CG 3.26Å; L283-R287 WeakPolarHBondContact O-CG 3.39Å; L283-R287 PolarHBondContact O-N 3.49Å; E284-R287 WeakPolarHBondContact O-CB 3.46Å; E284-R287 PolarHBondContact O-N 3.13Å; R287-Q291 PolarHBondContact O-N 3.36Å; R287-Q291 VanDerWaalsContact O-N 3.08Å |
| 288 | L | 97.6 | Very high | 97.3 | Very high | 100 Ų | 100 | 107.2 Ų | 107.2 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.1 | -47.7 | 177.2 | -70.4 | 170.1 | 0 | 0 | 0 | 111.5 | E284 Q285 E286 Q290 Q291 D292 | E284-L288 WeakPolarHBondContact O-CG 3.33Å; E284-L288 PolarHBondContact O-N 2.97Å; Q285-L288 PolarHBondContact O-N 2.91Å; E286-L288 VanDerWaalsContact C-N 3.3Å; E286-L288 PolarHBondContact O-N 3.2Å; L288-Q290 VanDerWaalsContact C-N 3.31Å; L288-Q290 PolarHBondContact O-N 2.93Å; L288-Q291 CarbonylContact O-C 3.57Å; L288-Q291 WeakPolarHBondContact O-CA 3.46Å; L288-Q291 WeakPolarHBondContact O-CB 3.33Å; L288-Q291 PolarHBondContact O-N 3.05Å; L288-D292 PolarHBondContact O-N 3.18Å |
| 289 | R | 96.7 | Very high | 97.2 | Very high | 129 Ų | 129 | 104.9 Ų | 104.9 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -53.7 | -47.4 | 173.8 | -72.6 | -178.3 | -165.2 | 127.1 | 7.1 | 112 | Q285 E286 Q291 D292 E293 | Q285-R289 WeakPolarHBondContact O-CG 3.4Å; Q285-R289 PolarHBondContact O-N 3.49Å; E286-R289 PolarHBondContact O-N 3.3Å; E286-R289 IonicContact OE2-CZ 3.52Å; E286-R289 IonicContact OE2-NH1 2.69Å; E286-R289 PolarHBondContact OE2-NH1 3.05Å; R289-Q291 PolarHBondContact O-N 2.85Å; R289-D292 PolarHBondContact O-N 2.93Å; R289-E293 WeakPolarHBondContact O-CG 3.25Å; R289-E293 PolarHBondContact O-N 3.09Å |
| 290 | Q | 97.1 | Very high | 97.1 | Very high | 77 Ų | 77 | 102.9 Ų | 102.9 | 36% | 0.36 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.9 | -25.1 | 177.8 | -67.4 | 172.2 | 20.6 | 0 | 0 | 112.8 | E286 L288 R294 | E286-Q290 VanDerWaalsContact O-CG 3.31Å; E286-Q290 WeakPolarHBondContact O-CG 3.31Å; E286-Q290 PolarHBondContact O-N 3.29Å; E286-Q290 PolarHBondContact OE1-NE2 3.32Å; L288-Q290 VanDerWaalsContact C-N 3.31Å; L288-Q290 PolarHBondContact O-N 2.93Å; Q290-R294 VanDerWaalsContact C-CZ 3.47Å; Q290-R294 VanDerWaalsContact C-NH2 3.34Å; Q290-R294 VanDerWaalsContact O-CG 3.25Å; Q290-R294 WeakPolarHBondContact O-CG 3.45Å; Q290-R294 PolarHBondContact O-N 3.22Å; Q290-R294 PolarHBondContact O-NE 2.9Å; Q290-R294 VanDerWaalsContact O-NE 3.09Å; Q290-R294 PolarHBondContact O-NH1 2.96Å; Q290-R294 PolarHBondContact O-NH2 3Å |
| 291 | Q | 96.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 102 Ų | 102 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.3 | -43.6 | 171.9 | -177.3 | 169.1 | -10 | 0 | 0 | 111.4 | R287 L288 R289 R294 L295 | R287-Q291 PolarHBondContact O-N 3.36Å; R287-Q291 VanDerWaalsContact O-N 3.08Å; L288-Q291 CarbonylContact O-C 3.57Å; L288-Q291 WeakPolarHBondContact O-CA 3.46Å; L288-Q291 WeakPolarHBondContact O-CB 3.33Å; L288-Q291 PolarHBondContact O-N 3.05Å; R289-Q291 PolarHBondContact O-N 2.85Å; Q291-R294 PolarHBondContact O-N 3.41Å; Q291-L295 HydrophobicContact CG-CD1 4.19Å; Q291-L295 WeakPolarHBondContact O-CG 3.37Å; Q291-L295 PolarHBondContact O-N 3.21Å |
| 292 | D | 96.9 | Very high | 97 | Very high | 105 Ų | 105 | 100.5 Ų | 100.5 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.9 | -40.1 | 175.5 | -69.6 | -24.7 | 0 | 0 | 0 | 111.7 | L288 R289 R294 L295 W296 | L288-D292 PolarHBondContact O-N 3.18Å; R289-D292 PolarHBondContact O-N 2.93Å; D292-R294 PolarHBondContact O-N 3.42Å; D292-L295 PolarHBondContact O-N 3.4Å; D292-W296 WeakPolarHBondContact O-CB 3.35Å; D292-W296 PolarHBondContact O-N 3.25Å |
| 293 | E | 97.1 | Very high | 96.9 | Very high | 112 Ų | 112 | 101.1 Ų | 101.1 | 52% | 0.523 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 171.3 | -75.8 | -174.5 | 174.9 | 0 | 0 | 112.2 | R289 L295 W296 Q297 | R289-E293 WeakPolarHBondContact O-CG 3.25Å; R289-E293 PolarHBondContact O-N 3.09Å; E293-L295 VanDerWaalsContact C-N 3.34Å; E293-L295 PolarHBondContact O-N 2.86Å; E293-W296 PolarHBondContact O-N 2.95Å; E293-Q297 WeakPolarHBondContact O-CB 3.22Å; E293-Q297 WeakPolarHBondContact O-CG 3.39Å; E293-Q297 PolarHBondContact O-N 3.48Å |
| 294 | R | 97.8 | Very high | 96.9 | Very high | 134 Ų | 134 | 100.5 Ų | 100.5 | 51% | 0.506 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 176 | -76.3 | 179.4 | -65.4 | -104.2 | -0.3 | 112.2 | Q290 Q291 D292 Q298 | Q290-R294 VanDerWaalsContact C-CZ 3.47Å; Q290-R294 VanDerWaalsContact C-NH2 3.34Å; Q290-R294 VanDerWaalsContact O-CG 3.25Å; Q290-R294 WeakPolarHBondContact O-CG 3.45Å; Q290-R294 PolarHBondContact O-N 3.22Å; Q290-R294 PolarHBondContact O-NE 2.9Å; Q290-R294 VanDerWaalsContact O-NE 3.09Å; Q290-R294 PolarHBondContact O-NH1 2.96Å; Q290-R294 PolarHBondContact O-NH2 3Å; Q291-R294 PolarHBondContact O-N 3.41Å; D292-R294 PolarHBondContact O-N 3.42Å; R294-Q298 WeakPolarHBondContact O-CB 3.28Å; R294-Q298 PolarHBondContact O-N 3.23Å |
| 295 | L | 97.1 | Very high | 96.8 | Very high | 86 Ų | 86 | 100.7 Ų | 100.7 | 45% | 0.45 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69 | -41 | 175.6 | -71.8 | 168.3 | 0 | 0 | 0 | 111.5 | Q291 D292 E293 Q298 E299 | Q291-L295 HydrophobicContact CG-CD1 4.19Å; Q291-L295 WeakPolarHBondContact O-CG 3.37Å; Q291-L295 PolarHBondContact O-N 3.21Å; D292-L295 PolarHBondContact O-N 3.4Å; E293-L295 VanDerWaalsContact C-N 3.34Å; E293-L295 PolarHBondContact O-N 2.86Å; L295-Q298 PolarHBondContact O-N 3.36Å; L295-E299 PolarHBondContact O-N 3.49Å |
| 296 | W | 97.3 | Very high | 96.8 | Very high | 179 Ų | 179 | 102.3 Ų | 102.3 | 68% | 0.678 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | 175.1 | -178 | 88.9 | 0 | 0 | 0 | 112.1 | D292 E293 Q298 E299 T300 | D292-W296 WeakPolarHBondContact O-CB 3.35Å; D292-W296 PolarHBondContact O-N 3.25Å; E293-W296 PolarHBondContact O-N 2.95Å; W296-Q298 VanDerWaalsContact C-N 3.27Å; W296-Q298 PolarHBondContact O-N 2.72Å; W296-E299 PolarHBondContact O-N 2.92Å; W296-T300 HydrophobicContact CD2-CG2 4.12Å; W296-T300 HydrophobicContact CE3-CG2 4.44Å; W296-T300 HydrophobicContact CH2-CG2 4.15Å; W296-T300 HydrophobicContact CZ2-CG2 3.81Å; W296-T300 HydrophobicContact CZ3-CG2 4.45Å; W296-T300 WeakPolarHBondContact O-CB 3.25Å; W296-T300 WeakPolarHBondContact O-CG2 3.44Å; W296-T300 PolarHBondContact O-N 2.9Å; W296-T300 PolarHBondContact O-OG1 3.07Å |
| 297 | Q | 96.6 | Very high | 96.8 | Very high | 102 Ų | 102 | 104 Ų | 104 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 171.6 | -72.7 | 170.7 | 22.7 | 0 | 0 | 111.6 | E293 T300 L301 | E293-Q297 WeakPolarHBondContact O-CB 3.22Å; E293-Q297 WeakPolarHBondContact O-CG 3.39Å; E293-Q297 PolarHBondContact O-N 3.48Å; Q297-T300 WeakPolarHBondContact CA-OG1 3.49Å; Q297-T300 PolarHBondContact O-OG1 3.05Å; Q297-T300 VanDerWaalsContact O-OG1 3.12Å; Q297-L301 WeakPolarHBondContact O-CB 3.46Å; Q297-L301 WeakPolarHBondContact O-CD1 3.46Å; Q297-L301 VanDerWaalsContact O-CG 3.25Å; Q297-L301 WeakPolarHBondContact O-CG 3.42Å; Q297-L301 PolarHBondContact O-N 2.93Å |
| 298 | Q | 96.4 | Very high | 96.7 | Very high | 94 Ų | 94 | 103.4 Ų | 103.4 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.4 | -42.5 | 177.3 | -172.9 | 177.2 | 78 | 0 | 0 | 112.7 | R294 L295 W296 L301 R302 | R294-Q298 WeakPolarHBondContact O-CB 3.28Å; R294-Q298 PolarHBondContact O-N 3.23Å; L295-Q298 PolarHBondContact O-N 3.36Å; W296-Q298 VanDerWaalsContact C-N 3.27Å; W296-Q298 PolarHBondContact O-N 2.72Å; Q298-L301 PolarHBondContact O-N 3.28Å; Q298-R302 WeakPolarHBondContact O-CG 3.33Å; Q298-R302 PolarHBondContact O-N 3.12Å |
| 299 | E | 96.6 | Very high | 96.6 | Very high | 64 Ų | 64 | 104 Ų | 104 | 30% | 0.299 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.7 | -39.2 | 179.6 | -164.3 | 61 | -148.8 | 0 | 0 | 111.7 | L295 W296 L301 R302 E303 R306 | L295-E299 PolarHBondContact O-N 3.49Å; W296-E299 PolarHBondContact O-N 2.92Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 3.46Å; E299-R302 CarbonylContact O-C 3.55Å; E299-R302 WeakPolarHBondContact O-CA 3.48Å; E299-R302 WeakPolarHBondContact O-CB 3.41Å; E299-R302 PolarHBondContact O-N 2.78Å; E299-R302 VanDerWaalsContact OE2-CD 3.28Å; E299-R302 WeakPolarHBondContact OE2-CD 3.41Å; E299-R302 IonicContact OE2-CZ 3.63Å; E299-R302 IonicContact OE2-NE 3.87Å; E299-R302 IonicContact OE2-NH1 2.65Å; E299-R302 PolarHBondContact OE2-NH1 2.96Å; E299-E303 WeakPolarHBondContact O-CG 3.49Å; E299-E303 PolarHBondContact O-N 3.38Å; E299-R306 IonicContact OE1-CZ 3.17Å; E299-R306 IonicContact OE1-NH1 2.71Å; E299-R306 PolarHBondContact OE1-NH1 3.43Å; E299-R306 IonicContact OE1-NH2 3.39Å; E299-R306 PolarHBondContact OE1-NH2 3.28Å |
| 300 | T | 96.1 | Very high | 96.5 | Very high | 37 Ų | 37 | 102 Ų | 102 | 23% | 0.227 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62 | -34.8 | 173 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | W296 Q297 E303 L304 | W296-T300 HydrophobicContact CD2-CG2 4.12Å; W296-T300 HydrophobicContact CE3-CG2 4.44Å; W296-T300 HydrophobicContact CH2-CG2 4.15Å; W296-T300 HydrophobicContact CZ2-CG2 3.81Å; W296-T300 HydrophobicContact CZ3-CG2 4.45Å; W296-T300 WeakPolarHBondContact O-CB 3.25Å; W296-T300 WeakPolarHBondContact O-CG2 3.44Å; W296-T300 PolarHBondContact O-N 2.9Å; W296-T300 PolarHBondContact O-OG1 3.07Å; Q297-T300 WeakPolarHBondContact CA-OG1 3.49Å; Q297-T300 PolarHBondContact O-OG1 3.05Å; Q297-T300 VanDerWaalsContact O-OG1 3.12Å; T300-E303 PolarHBondContact O-N 2.82Å; T300-L304 VanDerWaalsContact O-CG 3.32Å; T300-L304 WeakPolarHBondContact O-CG 3.46Å; T300-L304 PolarHBondContact O-N 2.72Å |
| 301 | L | 97.5 | Very high | 96.5 | Very high | 101 Ų | 101 | 103.6 Ų | 103.6 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 169.8 | -76.2 | 170.5 | 0 | 0 | 0 | 112.4 | Q297 Q298 E299 E303 L304 E305 | Q297-L301 WeakPolarHBondContact O-CB 3.46Å; Q297-L301 WeakPolarHBondContact O-CD1 3.46Å; Q297-L301 VanDerWaalsContact O-CG 3.25Å; Q297-L301 WeakPolarHBondContact O-CG 3.42Å; Q297-L301 PolarHBondContact O-N 2.93Å; Q298-L301 PolarHBondContact O-N 3.28Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 3.46Å; L301-E303 VanDerWaalsContact C-N 3.33Å; L301-E303 PolarHBondContact O-N 3.42Å; L301-L304 PolarHBondContact O-N 3.17Å; L301-E305 WeakPolarHBondContact O-CG 3.26Å; L301-E305 PolarHBondContact O-N 3.37Å |
| 302 | R | 95.6 | Very high | 96.4 | Very high | 97 Ų | 97 | 106 Ų | 106 | 37% | 0.366 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 173.5 | -70.4 | 175.9 | -175.1 | 122.6 | 5.4 | 112.3 | Q298 E299 E305 R306 | Q298-R302 WeakPolarHBondContact O-CG 3.33Å; Q298-R302 PolarHBondContact O-N 3.12Å; E299-R302 CarbonylContact O-C 3.55Å; E299-R302 WeakPolarHBondContact O-CA 3.48Å; E299-R302 WeakPolarHBondContact O-CB 3.41Å; E299-R302 PolarHBondContact O-N 2.78Å; E299-R302 VanDerWaalsContact OE2-CD 3.28Å; E299-R302 WeakPolarHBondContact OE2-CD 3.41Å; E299-R302 IonicContact OE2-CZ 3.63Å; E299-R302 IonicContact OE2-NE 3.87Å; E299-R302 IonicContact OE2-NH1 2.65Å; E299-R302 PolarHBondContact OE2-NH1 2.96Å; R302-E305 PolarHBondContact O-N 2.82Å; R302-R306 VanDerWaalsContact O-CG 3.27Å; R302-R306 WeakPolarHBondContact O-CG 3.27Å; R302-R306 PolarHBondContact O-N 2.86Å |
| 303 | E | 95.8 | Very high | 96.4 | Very high | 98 Ų | 98 | 106 Ų | 106 | 46% | 0.458 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 175.2 | -72.3 | -178.8 | 157.2 | 0 | 0 | 111.5 | E299 T300 L301 E305 R306 L307 | E299-E303 WeakPolarHBondContact O-CG 3.49Å; E299-E303 PolarHBondContact O-N 3.38Å; T300-E303 PolarHBondContact O-N 2.82Å; L301-E303 VanDerWaalsContact C-N 3.33Å; L301-E303 PolarHBondContact O-N 3.42Å; E303-E305 VanDerWaalsContact C-N 3.3Å; E303-E305 PolarHBondContact O-N 2.89Å; E303-R306 PolarHBondContact O-N 3.11Å; E303-L307 WeakPolarHBondContact O-CB 3.32Å; E303-L307 VanDerWaalsContact O-CG 3.27Å; E303-L307 WeakPolarHBondContact O-CG 3.43Å; E303-L307 PolarHBondContact O-N 3.04Å |
| 304 | L | 96.6 | Very high | 96.2 | Very high | 86 Ų | 86 | 107.9 Ų | 107.9 | 45% | 0.45 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 172.8 | -70.9 | 169.6 | 0 | 0 | 0 | 112.6 | T300 L301 R308 | T300-L304 VanDerWaalsContact O-CG 3.32Å; T300-L304 WeakPolarHBondContact O-CG 3.46Å; T300-L304 PolarHBondContact O-N 2.72Å; L301-L304 PolarHBondContact O-N 3.17Å; L304-R308 WeakPolarHBondContact O-CD 3.27Å; L304-R308 VanDerWaalsContact O-CG 3.26Å; L304-R308 WeakPolarHBondContact O-CG 3.31Å; L304-R308 PolarHBondContact O-N 2.75Å |
| 305 | E | 96.2 | Very high | 95.9 | Very high | 110 Ų | 110 | 106.5 Ų | 106.5 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.8 | -47.3 | 173.1 | -72.7 | 179.1 | 157.9 | 0 | 0 | 112 | L301 R302 E303 L307 R308 E309 | L301-E305 WeakPolarHBondContact O-CG 3.26Å; L301-E305 PolarHBondContact O-N 3.37Å; R302-E305 PolarHBondContact O-N 2.82Å; E303-E305 VanDerWaalsContact C-N 3.3Å; E303-E305 PolarHBondContact O-N 2.89Å; E305-L307 VanDerWaalsContact C-N 3.26Å; E305-L307 PolarHBondContact O-N 3.36Å; E305-R308 PolarHBondContact O-N 3.36Å; E305-R308 VanDerWaalsContact O-N 3.11Å; E305-E309 WeakPolarHBondContact O-CG 3.5Å; E305-E309 PolarHBondContact O-N 3.43Å |
| 306 | R | 96.9 | Very high | 95.7 | Very high | 117 Ų | 117 | 106.7 Ų | 106.7 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -54.9 | -41.3 | 171.8 | -68.8 | 167.5 | -168.8 | 140 | 5.8 | 111.5 | E299 R302 E303 E309 L310 | E299-R306 IonicContact OE1-CZ 3.17Å; E299-R306 IonicContact OE1-NH1 2.71Å; E299-R306 PolarHBondContact OE1-NH1 3.43Å; E299-R306 IonicContact OE1-NH2 3.39Å; E299-R306 PolarHBondContact OE1-NH2 3.28Å; R302-R306 VanDerWaalsContact O-CG 3.27Å; R302-R306 WeakPolarHBondContact O-CG 3.27Å; R302-R306 PolarHBondContact O-N 2.86Å; E303-R306 PolarHBondContact O-N 3.11Å; R306-E309 PolarHBondContact O-N 2.88Å; R306-L310 VanDerWaalsContact O-CG 3.31Å; R306-L310 WeakPolarHBondContact O-CG 3.47Å; R306-L310 PolarHBondContact O-N 3.3Å |
| 307 | L | 96.8 | Very high | 95.5 | Very high | 106 Ų | 106 | 103.6 Ų | 103.6 | 56% | 0.555 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.2 | -40.6 | 177.2 | -74.1 | 170.2 | 0 | 0 | 0 | 112.4 | E303 E305 E309 L310 E311 | E303-L307 WeakPolarHBondContact O-CB 3.32Å; E303-L307 VanDerWaalsContact O-CG 3.27Å; E303-L307 WeakPolarHBondContact O-CG 3.43Å; E303-L307 PolarHBondContact O-N 3.04Å; E305-L307 VanDerWaalsContact C-N 3.26Å; E305-L307 PolarHBondContact O-N 3.36Å; L307-E309 VanDerWaalsContact C-N 3.35Å; L307-L310 PolarHBondContact O-N 3Å; L307-E311 WeakPolarHBondContact O-CB 3.45Å; L307-E311 PolarHBondContact O-N 3.39Å |
| 308 | R | 95.9 | Very high | 95.3 | Very high | 136 Ų | 136 | 104.6 Ų | 104.6 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 173.2 | -71.9 | 163.7 | 178.8 | 162.9 | 0.4 | 112.5 | L304 E305 E311 R312 | L304-R308 WeakPolarHBondContact O-CD 3.27Å; L304-R308 VanDerWaalsContact O-CG 3.26Å; L304-R308 WeakPolarHBondContact O-CG 3.31Å; L304-R308 PolarHBondContact O-N 2.75Å; E305-R308 PolarHBondContact O-N 3.36Å; E305-R308 VanDerWaalsContact O-N 3.11Å; R308-E311 PolarHBondContact O-N 3.46Å; R308-R312 VanDerWaalsContact O-CG 3.29Å; R308-R312 WeakPolarHBondContact O-CG 3.42Å; R308-R312 PolarHBondContact O-N 2.88Å |
| 309 | E | 95 | Very high | 95 | Very high | 112 Ų | 112 | 106.1 Ų | 106.1 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 173.7 | -71 | -177.1 | 155.6 | 0 | 0 | 111.4 | E305 R306 L307 E311 R312 L313 | E305-E309 WeakPolarHBondContact O-CG 3.5Å; E305-E309 PolarHBondContact O-N 3.43Å; R306-E309 PolarHBondContact O-N 2.88Å; L307-E309 VanDerWaalsContact C-N 3.35Å; E309-E311 VanDerWaalsContact C-N 3.32Å; E309-E311 PolarHBondContact O-N 2.93Å; E309-R312 PolarHBondContact O-N 3.37Å; E309-L313 WeakPolarHBondContact O-CB 3.37Å; E309-L313 VanDerWaalsContact O-CG 3.27Å; E309-L313 WeakPolarHBondContact O-CG 3.29Å; E309-L313 PolarHBondContact O-N 3.43Å |
| 310 | L | 95.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 108.2 Ų | 108.2 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 172.1 | -71.5 | 168.2 | 0 | 0 | 0 | 112.6 | R306 L307 L313 R314 | R306-L310 VanDerWaalsContact O-CG 3.31Å; R306-L310 WeakPolarHBondContact O-CG 3.47Å; R306-L310 PolarHBondContact O-N 3.3Å; L307-L310 PolarHBondContact O-N 3Å; L310-L313 PolarHBondContact O-N 2.88Å; L310-R314 WeakPolarHBondContact O-CG 3.27Å; L310-R314 PolarHBondContact O-N 2.87Å |
| 311 | E | 95.8 | Very high | 94.2 | Very high | 110 Ų | 110 | 111.6 Ų | 111.6 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.4 | -46.3 | 174.8 | -173.4 | 158.8 | -127.5 | 0 | 0 | 111.8 | L307 R308 E309 L313 R314 E315 | L307-E311 WeakPolarHBondContact O-CB 3.45Å; L307-E311 PolarHBondContact O-N 3.39Å; R308-E311 PolarHBondContact O-N 3.46Å; E309-E311 VanDerWaalsContact C-N 3.32Å; E309-E311 PolarHBondContact O-N 2.93Å; E311-L313 VanDerWaalsContact C-N 3.31Å; E311-L313 PolarHBondContact O-N 3.36Å; E311-R314 CarbonylContact O-C 3.6Å; E311-R314 WeakPolarHBondContact O-CB 3.32Å; E311-R314 PolarHBondContact O-N 3.22Å; E311-R314 VanDerWaalsContact O-N 3.12Å; E311-E315 WeakPolarHBondContact O-CG 3.24Å; E311-E315 PolarHBondContact O-N 2.84Å |
| 312 | R | 95.4 | Very high | 93.5 | Very high | 152 Ų | 152 | 112 Ų | 112 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.9 | -39.8 | 171.8 | -72.3 | 168 | 179.2 | 167.7 | -0.3 | 112.5 | R308 E309 R314 E315 L316 | R308-R312 VanDerWaalsContact O-CG 3.29Å; R308-R312 WeakPolarHBondContact O-CG 3.42Å; R308-R312 PolarHBondContact O-N 2.88Å; E309-R312 PolarHBondContact O-N 3.37Å; R312-R314 VanDerWaalsContact C-N 3.34Å; R312-E315 WeakPolarHBondContact O-CB 3.46Å; R312-E315 PolarHBondContact O-N 2.95Å; R312-L316 WeakPolarHBondContact O-CG 3.41Å; R312-L316 PolarHBondContact O-N 3.45Å |
| 313 | L | 95.4 | Very high | 93 | Very high | 107 Ų | 107 | 109 Ų | 109 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -40 | 175.6 | -73.7 | 168.5 | 0 | 0 | 0 | 111.1 | E309 L310 E311 L316 E317 | E309-L313 WeakPolarHBondContact O-CB 3.37Å; E309-L313 VanDerWaalsContact O-CG 3.27Å; E309-L313 WeakPolarHBondContact O-CG 3.29Å; E309-L313 PolarHBondContact O-N 3.43Å; L310-L313 PolarHBondContact O-N 2.88Å; E311-L313 VanDerWaalsContact C-N 3.31Å; E311-L313 PolarHBondContact O-N 3.36Å; L313-L316 PolarHBondContact O-N 3.5Å; L313-E317 VanDerWaalsContact O-CB 3.29Å; L313-E317 WeakPolarHBondContact O-CB 3.44Å; L313-E317 PolarHBondContact O-N 3.04Å |
| 314 | R | 93.6 | Very high | 91.9 | Very high | 150 Ų | 150 | 112 Ų | 112 | 57% | 0.566 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.1 | -29.7 | 172 | -71 | 167.5 | 177.7 | 167.6 | 0 | 113.4 | L310 E311 R312 R318 | L310-R314 WeakPolarHBondContact O-CG 3.27Å; L310-R314 PolarHBondContact O-N 2.87Å; E311-R314 CarbonylContact O-C 3.6Å; E311-R314 WeakPolarHBondContact O-CB 3.32Å; E311-R314 PolarHBondContact O-N 3.22Å; E311-R314 VanDerWaalsContact O-N 3.12Å; R312-R314 VanDerWaalsContact C-N 3.34Å; R314-R318 WeakPolarHBondContact O-CB 3.43Å; R314-R318 VanDerWaalsContact O-CG 3.32Å; R314-R318 WeakPolarHBondContact O-CG 3.49Å; R314-R318 PolarHBondContact O-N 3Å; R314-R318 PolarHBondContact O-NE 3.33Å |
| 315 | E | 92.5 | Very high | 90.9 | Very high | 105 Ų | 105 | 113.7 Ų | 113.7 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 171.5 | -70.8 | 176.4 | 153.5 | 0 | 0 | 111.6 | E311 R312 R318 M319 | E311-E315 WeakPolarHBondContact O-CG 3.24Å; E311-E315 PolarHBondContact O-N 2.84Å; R312-E315 WeakPolarHBondContact O-CB 3.46Å; R312-E315 PolarHBondContact O-N 2.95Å; E315-R318 VanDerWaalsContact CG-NH2 3.28Å; E315-R318 PolarHBondContact O-N 3.34Å; E315-M319 WeakPolarHBondContact O-CB 3.47Å; E315-M319 PolarHBondContact O-N 2.89Å |
| 316 | L | 92.4 | Very high | 89.9 | Confident | 90 Ų | 90 | 110.8 Ų | 110.8 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 172.9 | -70.6 | 170.4 | 0 | 0 | 0 | 111.8 | R312 L313 M319 L320 | R312-L316 WeakPolarHBondContact O-CG 3.41Å; R312-L316 PolarHBondContact O-N 3.45Å; L313-L316 PolarHBondContact O-N 3.5Å; L316-M319 HydrophobicContact CD2-CE 3.89Å; L316-M319 PolarHBondContact O-N 2.86Å; L316-L320 WeakPolarHBondContact O-CB 3.38Å; L316-L320 VanDerWaalsContact O-CG 3.24Å; L316-L320 WeakPolarHBondContact O-CG 3.32Å; L316-L320 PolarHBondContact O-N 2.83Å |
| 317 | E | 93.6 | Very high | 88.7 | Confident | 114 Ų | 114 | 109.9 Ų | 109.9 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.4 | -52.6 | 173 | -171.7 | 167.9 | -135.1 | 0 | 0 | 110.4 | L313 M319 L320 E321 | L313-E317 VanDerWaalsContact O-CB 3.29Å; L313-E317 WeakPolarHBondContact O-CB 3.44Å; L313-E317 PolarHBondContact O-N 3.04Å; E317-M319 PolarHBondContact O-N 2.8Å; E317-L320 CarbonylContact O-C 3.58Å; E317-L320 WeakPolarHBondContact O-CA 3.49Å; E317-L320 WeakPolarHBondContact O-CB 3.29Å; E317-L320 PolarHBondContact O-N 3.05Å; E317-E321 WeakPolarHBondContact O-CG 3.46Å; E317-E321 PolarHBondContact O-N 2.88Å |
| 318 | R | 92.4 | Very high | 87 | Confident | 123 Ų | 123 | 112.6 Ų | 112.6 | 46% | 0.464 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -35.8 | 175.7 | -73.8 | 172.8 | -69.8 | 176 | 1.6 | 113.9 | R314 E315 E321 L322 | R314-R318 WeakPolarHBondContact O-CB 3.43Å; R314-R318 VanDerWaalsContact O-CG 3.32Å; R314-R318 WeakPolarHBondContact O-CG 3.49Å; R314-R318 PolarHBondContact O-N 3Å; R314-R318 PolarHBondContact O-NE 3.33Å; E315-R318 VanDerWaalsContact CG-NH2 3.28Å; E315-R318 PolarHBondContact O-N 3.34Å; R318-E321 WeakPolarHBondContact CA-OE2 3.47Å; R318-L322 WeakPolarHBondContact O-CB 3.29Å; R318-L322 VanDerWaalsContact O-CG 3.29Å; R318-L322 WeakPolarHBondContact O-CG 3.27Å; R318-L322 PolarHBondContact O-N 3.12Å |
| 319 | M | 88.6 | Confident | 85.6 | Confident | 127 Ų | 127 | 113.1 Ų | 113.1 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.2 | -34.6 | 171.9 | -83.8 | -149.9 | -57.8 | 0 | 0 | 112.6 | E315 L316 E317 G323 | E315-M319 WeakPolarHBondContact O-CB 3.47Å; E315-M319 PolarHBondContact O-N 2.89Å; L316-M319 HydrophobicContact CD2-CE 3.89Å; L316-M319 PolarHBondContact O-N 2.86Å; E317-M319 PolarHBondContact O-N 2.8Å; M319-G323 PolarHBondContact O-N 3.28Å |
| 320 | L | 90.1 | Very high | 83.8 | Confident | 108 Ų | 108 | 115.8 Ų | 115.8 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.7 | -41.5 | 175.3 | -73.2 | 167.4 | 0 | 0 | 0 | 110.8 | L316 E317 G323 W324 | L316-L320 WeakPolarHBondContact O-CB 3.38Å; L316-L320 VanDerWaalsContact O-CG 3.24Å; L316-L320 WeakPolarHBondContact O-CG 3.32Å; L316-L320 PolarHBondContact O-N 2.83Å; E317-L320 CarbonylContact O-C 3.58Å; E317-L320 WeakPolarHBondContact O-CA 3.49Å; E317-L320 WeakPolarHBondContact O-CB 3.29Å; E317-L320 PolarHBondContact O-N 3.05Å; L320-G323 CarbonylContact O-C 3.56Å; L320-G323 PolarHBondContact O-N 3.24Å; L320-W324 WeakPolarHBondContact O-CB 3.45Å; L320-W324 PolarHBondContact O-N 3.02Å |
| 321 | E | 86.1 | Confident | 81.8 | Confident | 108 Ų | 108 | 121.8 Ų | 121.8 | 51% | 0.505 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -54.4 | -57.1 | 171.3 | -71.2 | 174.2 | 143 | 0 | 0 | 110.6 | E317 R318 G323 W324 E325 | E317-E321 WeakPolarHBondContact O-CG 3.46Å; E317-E321 PolarHBondContact O-N 2.88Å; R318-E321 WeakPolarHBondContact CA-OE2 3.47Å; E321-G323 VanDerWaalsContact C-N 3.27Å; E321-G323 PolarHBondContact O-N 3.06Å; E321-W324 PolarHBondContact O-N 2.79Å; E321-W324 VanDerWaalsContact O-N 3.14Å; E321-E325 WeakPolarHBondContact O-CG 3.28Å; E321-E325 PolarHBondContact O-N 3.14Å |
| 322 | L | 84 | Confident | 79.7 | Confident | 110 Ų | 110 | 120.2 Ų | 120.2 | 58% | 0.576 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60 | -34.4 | 176.8 | -69.7 | 168.5 | 0 | 0 | 0 | 112.9 | R318 A326 | R318-L322 WeakPolarHBondContact O-CB 3.29Å; R318-L322 VanDerWaalsContact O-CG 3.29Å; R318-L322 WeakPolarHBondContact O-CG 3.27Å; R318-L322 PolarHBondContact O-N 3.12Å; L322-A326 VanDerWaalsContact O-CB 3.28Å; L322-A326 WeakPolarHBondContact O-CB 3.39Å; L322-A326 PolarHBondContact O-N 3.3Å |
| 323 | G | 83.4 | Confident | 77.1 | Confident | 32 Ų | 32 | 121 Ų | 121 | 33% | 0.33 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.1 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | M319 L320 E321 L327 | M319-G323 PolarHBondContact O-N 3.28Å; L320-G323 CarbonylContact O-C 3.56Å; L320-G323 PolarHBondContact O-N 3.24Å; E321-G323 VanDerWaalsContact C-N 3.27Å; E321-G323 PolarHBondContact O-N 3.06Å; G323-L327 WeakPolarHBondContact O-CB 3.43Å; G323-L327 VanDerWaalsContact O-CG 3.27Å; G323-L327 WeakPolarHBondContact O-CG 3.49Å; G323-L327 PolarHBondContact O-N 3.39Å |
| 324 | W | 74.3 | Confident | 74.9 | Confident | 162 Ų | 162 | 121.7 Ų | 121.7 | 61% | 0.614 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.7 | -43.8 | 172.9 | -74.9 | 120 | 0 | 0 | 0 | 111 | L320 E321 A326 L327 Y328 | L320-W324 WeakPolarHBondContact O-CB 3.45Å; L320-W324 PolarHBondContact O-N 3.02Å; E321-W324 PolarHBondContact O-N 2.79Å; E321-W324 VanDerWaalsContact O-N 3.14Å; W324-A326 PolarHBondContact O-N 3.17Å; W324-L327 HydrophobicContact CE3-CD1 4.1Å; W324-L327 HydrophobicContact CZ3-CD1 4.28Å; W324-L327 PolarHBondContact O-N 3.49Å; W324-L327 VanDerWaalsContact O-N 3.17Å; W324-Y328 WeakPolarHBondContact O-CD2 3.37Å; W324-Y328 PolarHBondContact O-N 2.8Å |
| 325 | E | 75.1 | Confident | 72.1 | Confident | 121 Ų | 121 | 126.3 Ų | 126.3 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.6 | -50.6 | 172.8 | -73.2 | 179.6 | 157.6 | 0 | 0 | 110.8 | E321 L327 Y328 E329 | E321-E325 WeakPolarHBondContact O-CG 3.28Å; E321-E325 PolarHBondContact O-N 3.14Å; E325-L327 VanDerWaalsContact C-N 3.3Å; E325-L327 PolarHBondContact O-N 2.93Å; E325-Y328 CarbonylContact O-C 3.59Å; E325-Y328 WeakPolarHBondContact O-CB 3.39Å; E325-Y328 PolarHBondContact O-N 2.81Å; E325-Y328 VanDerWaalsContact O-N 3.08Å; E325-E329 WeakPolarHBondContact O-CB 3.21Å; E325-E329 PolarHBondContact O-N 2.69Å |
| 326 | A | 74.4 | Confident | 70.1 | Confident | 50 Ų | 50 | 127.6 Ų | 127.6 | 41% | 0.413 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.9 | -32.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L322 W324 Q330 | L322-A326 VanDerWaalsContact O-CB 3.28Å; L322-A326 WeakPolarHBondContact O-CB 3.39Å; L322-A326 PolarHBondContact O-N 3.3Å; W324-A326 PolarHBondContact O-N 3.17Å; A326-Q330 WeakPolarHBondContact O-CB 3.45Å; A326-Q330 PolarHBondContact O-N 2.9Å |
| 327 | L | 72.4 | Confident | 67.7 | Low | 98 Ų | 98 | 125.7 Ų | 125.7 | 51% | 0.513 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -73.5 | -32.9 | 173.6 | -76.3 | 169.7 | 0 | 0 | 0 | 112.8 | G323 W324 E325 | G323-L327 WeakPolarHBondContact O-CB 3.43Å; G323-L327 VanDerWaalsContact O-CG 3.27Å; G323-L327 WeakPolarHBondContact O-CG 3.49Å; G323-L327 PolarHBondContact O-N 3.39Å; W324-L327 HydrophobicContact CE3-CD1 4.1Å; W324-L327 HydrophobicContact CZ3-CD1 4.28Å; W324-L327 PolarHBondContact O-N 3.49Å; W324-L327 VanDerWaalsContact O-N 3.17Å; E325-L327 VanDerWaalsContact C-N 3.3Å; E325-L327 PolarHBondContact O-N 2.93Å |
| 328 | Y | 61.7 | Low | 65.3 | Low | 163 Ų | 163 | 128.4 Ų | 128.4 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.3 | -39.6 | 170 | -91.8 | -84.1 | 0 | 0 | 0 | 111.5 | W324 E325 R331 A332 | W324-Y328 WeakPolarHBondContact O-CD2 3.37Å; W324-Y328 PolarHBondContact O-N 2.8Å; E325-Y328 CarbonylContact O-C 3.59Å; E325-Y328 WeakPolarHBondContact O-CB 3.39Å; E325-Y328 PolarHBondContact O-N 2.81Å; E325-Y328 VanDerWaalsContact O-N 3.08Å; Y328-R331 CarbonylContact O-C 3.48Å; Y328-R331 WeakPolarHBondContact O-CA 3.31Å; Y328-R331 VanDerWaalsContact O-CB 3.31Å; Y328-R331 WeakPolarHBondContact O-CB 3.42Å; Y328-R331 PolarHBondContact O-N 3.08Å; Y328-R331 VanDerWaalsContact O-N 3.09Å; Y328-A332 WeakPolarHBondContact O-CB 3.49Å; Y328-A332 PolarHBondContact O-N 2.84Å |
| 329 | E | 64.9 | Low | 63.4 | Low | 146 Ų | 146 | 130.8 Ų | 130.8 | 68% | 0.682 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.8 | -37.1 | -178.8 | -159.8 | 160.4 | -126.3 | 0 | 0 | 112 | E325 R331 A332 | E325-E329 WeakPolarHBondContact O-CB 3.21Å; E325-E329 PolarHBondContact O-N 2.69Å; E329-R331 PolarHBondContact O-N 2.89Å; E329-R331 VanDerWaalsContact O-N 3.12Å; E329-A332 WeakPolarHBondContact O-CB 3.4Å; E329-A332 PolarHBondContact O-N 2.99Å |
| 330 | Q | 59 | Low | 61.5 | Low | 168 Ų | 168 | 132.5 Ų | 132.5 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -15.6 | 168.1 | -167.2 | 175.4 | 118.6 | 0 | 0 | 113.2 | A326 | A326-Q330 WeakPolarHBondContact O-CB 3.45Å; A326-Q330 PolarHBondContact O-N 2.9Å |
| 331 | R | 52.9 | Low | 59.6 | Low | 214 Ų | 214 | 131.7 Ų | 131.7 | 81% | 0.808 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -5.2 | 172.5 | -162.5 | 179.8 | 179.8 | -171.2 | 0.7 | 112.9 | Y328 E329 | Y328-R331 CarbonylContact O-C 3.48Å; Y328-R331 WeakPolarHBondContact O-CA 3.31Å; Y328-R331 VanDerWaalsContact O-CB 3.31Å; Y328-R331 WeakPolarHBondContact O-CB 3.42Å; Y328-R331 PolarHBondContact O-N 3.08Å; Y328-R331 VanDerWaalsContact O-N 3.09Å; E329-R331 PolarHBondContact O-N 2.89Å; E329-R331 VanDerWaalsContact O-N 3.12Å |
| 332 | A | 51.6 | Low | 58.2 | Low | 77 Ų | 77 | 131.4 Ų | 131.4 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -14.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y328 E329 | Y328-A332 WeakPolarHBondContact O-CB 3.49Å; Y328-A332 PolarHBondContact O-N 2.84Å; E329-A332 WeakPolarHBondContact O-CB 3.4Å; E329-A332 PolarHBondContact O-N 2.99Å |
| 333 | E | 40.2 | Very low | 56.7 | Low | 169 Ų | 169 | 130.8 Ų | 130.8 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -95.3 | 145.3 | 172.2 | -72.1 | -144.9 | 136.8 | 0 | 0 | 113.4 | R335 | E333-R335 PolarHBondContact O-N 3.07Š|
| 334 | P | 49.4 | Very low | 55.5 | Low | 121 Ų | 121 | 135.4 Ų | 135.4 | 79% | 0.786 | 67% | 0.67 | S | S | * | * | trans | -91.6 | 113.7 | -143.7 | 32.7 | -35.8 | 0 | 0 | 0 | 114.5 | S336 | P334-S336 PolarHBondContact O-N 2.89Š| ||
| 335 | R | 35.9 | Very low | 54.8 | Low | 246 Ų | 246 | 132.1 Ų | 132.1 | 93% | 0.928 | 66% | 0.664 | S | S | * | * | trans | -73.4 | 90.3 | 161.9 | -79.9 | -166.3 | 170.4 | -140.8 | -2.6 | 111.2 | E333 G337 | E333-R335 PolarHBondContact O-N 3.07Å; R335-G337 VanDerWaalsContact C-N 3.3Å; R335-G337 PolarHBondContact O-N 3.18Å | ||
| 336 | S | 49 | Very low | 54 | Low | 132 Ų | 132 | 132 Ų | 132 | 92% | 0.923 | 66% | 0.662 | S | S | * | * | trans | -61.3 | 88.2 | 163.4 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | P334 | P334-S336 PolarHBondContact O-N 2.89Š| ||
| 337 | G | 42.5 | Very low | 53.2 | Low | 50 Ų | 50 | 133.2 Ų | 133.2 | 52% | 0.515 | 67% | 0.667 | S | S | . | * | trans | -169.1 | 25.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | R335 | R335-G337 VanDerWaalsContact C-N 3.3Å; R335-G337 PolarHBondContact O-N 3.18Å | ||
| 338 | F | 44.2 | Very low | 52.3 | Low | 171 Ų | 171 | 131.8 Ų | 131.8 | 75% | 0.75 | 66% | 0.663 | S | S | * | * | trans | -93.8 | -14 | -177.9 | -168 | -107.1 | 0 | 0 | 0 | 113.6 | E340 | F338-E340 PolarHBondContact O-N 3.12Š| ||
| 339 | E | 52.7 | Low | 52.3 | Low | 174 Ų | 174 | 129.1 Ų | 129.1 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -76.8 | -20.7 | -174 | -64.5 | -168.1 | 120.5 | 0 | 0 | 114.2 | ||
| 340 | E | 48.9 | Very low | 51.8 | Low | 162 Ų | 162 | 128.9 Ų | 128.9 | 76% | 0.757 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -79.3 | -35.1 | -178.7 | -65.2 | -171.4 | 124.2 | 0 | 0 | 113.1 | F338 N342 N343 | F338-E340 PolarHBondContact O-N 3.12Å; E340-N342 PolarHBondContact O-N 3.09Å; E340-N342 VanDerWaalsContact O-N 3.12Å; E340-N343 PolarHBondContact O-N 3.26Å; E340-N343 VanDerWaalsContact O-N 3.14Å |
| 341 | L | 50.1 | Low | 51.7 | Low | 91 Ų | 91 | 126.2 Ų | 126.2 | 48% | 0.476 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.7 | -18.5 | 177.9 | -64.2 | 176.1 | 0 | 0 | 0 | 113.4 | N343 N345 | L341-N343 PolarHBondContact O-N 2.96Å; L341-N345 PolarHBondContact O-N 3.35Å |
| 342 | N | 55 | Low | 52.1 | Low | 103 Ų | 103 | 121.3 Ų | 121.3 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.8 | -8.6 | 177.6 | -161.8 | 16.3 | 0 | 0 | 0 | 113.5 | E340 | E340-N342 PolarHBondContact O-N 3.09Å; E340-N342 VanDerWaalsContact O-N 3.12Å |
| 343 | N | 54 | Low | 52.5 | Low | 96 Ų | 96 | 125.1 Ų | 125.1 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -99.2 | -32.2 | 175.4 | -66.3 | -46.8 | 0 | 0 | 0 | 112.7 | E340 L341 N345 K346 | E340-N343 PolarHBondContact O-N 3.26Å; E340-N343 VanDerWaalsContact O-N 3.14Å; L341-N343 PolarHBondContact O-N 2.96Å; N343-N345 VanDerWaalsContact C-N 3.29Å; N343-N345 PolarHBondContact O-N 3.01Å; N343-K346 PolarHBondContact O-N 3.17Å; N343-K346 PolarHBondContact OD1-NZ 3.23Å |
| 344 | E | 57.7 | Low | 53.2 | Low | 130 Ų | 130 | 124.1 Ų | 124.1 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.3 | -35.6 | 170.4 | -61.5 | -173 | 140.4 | 0 | 0 | 111.4 | K346 S347 T348 | E344-K346 PolarHBondContact O-N 3.44Å; E344-S347 PolarHBondContact O-N 2.98Å; E344-T348 PolarHBondContact O-N 2.88Å |
| 345 | N | 58.8 | Low | 53.4 | Low | 92 Ų | 92 | 122.6 Ų | 122.6 | 49% | 0.492 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -60.6 | -10.6 | 173.6 | -91.7 | -33.5 | 0 | 0 | 0 | 115.1 | L341 N343 T348 L349 | L341-N345 PolarHBondContact O-N 3.35Å; N343-N345 VanDerWaalsContact C-N 3.29Å; N343-N345 PolarHBondContact O-N 3.01Å; N345-T348 WeakPolarHBondContact CA-OG1 3.37Å; N345-T348 PolarHBondContact O-OG1 3.42Å; N345-L349 WeakPolarHBondContact O-CD1 3.38Å; N345-L349 WeakPolarHBondContact O-CG 3.36Å |
| 346 | K | 58.7 | Low | 54.5 | Low | 120 Ų | 120 | 118.1 Ų | 118.1 | 52% | 0.522 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -87.6 | -25.8 | 171.9 | -66.4 | 166.5 | -169.5 | 154 | 0 | 112.2 | N343 E344 | N343-K346 PolarHBondContact O-N 3.17Å; N343-K346 PolarHBondContact OD1-NZ 3.23Å; E344-K346 PolarHBondContact O-N 3.44Å |
| 347 | S | 58.3 | Low | 54.8 | Low | 74 Ų | 74 | 120 Ų | 120 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -80 | -33.8 | 173.5 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | E344 Q350 L351 | E344-S347 PolarHBondContact O-N 2.98Å; S347-Q350 PolarHBondContact O-N 3.48Å; S347-L351 PolarHBondContact O-N 3.31Å |
| 348 | T | 53.9 | Low | 55.2 | Low | 69 Ų | 69 | 125.2 Ų | 125.2 | 42% | 0.423 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.6 | -45.8 | 175.6 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | E344 N345 Q350 L351 E352 | E344-T348 PolarHBondContact O-N 2.88Å; N345-T348 WeakPolarHBondContact CA-OG1 3.37Å; N345-T348 PolarHBondContact O-OG1 3.42Å; T348-Q350 PolarHBondContact O-N 3.28Å; T348-L351 PolarHBondContact O-N 3.14Å; T348-E352 PolarHBondContact O-N 2.98Å |
| 349 | L | 60.3 | Low | 55.4 | Low | 107 Ų | 107 | 124.7 Ų | 124.7 | 56% | 0.56 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57.7 | -33.5 | 174.6 | -73.7 | 170.4 | 0 | 0 | 0 | 113 | N345 Q353 | N345-L349 WeakPolarHBondContact O-CD1 3.38Å; N345-L349 WeakPolarHBondContact O-CG 3.36Å; L349-Q353 PolarHBondContact O-N 3.2Å |
| 350 | Q | 54.2 | Low | 55 | Low | 140 Ų | 140 | 125.9 Ų | 125.9 | 65% | 0.654 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.2 | -23.2 | 178.7 | -162.2 | 169.1 | 8.1 | 0 | 0 | 112.9 | S347 T348 | S347-Q350 PolarHBondContact O-N 3.48Å; T348-Q350 PolarHBondContact O-N 3.28Å |
| 351 | L | 58.2 | Low | 54.6 | Low | 113 Ų | 113 | 123.7 Ų | 123.7 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -83.6 | -39.5 | 170.9 | -73.3 | 167.9 | 0 | 0 | 0 | 112.2 | S347 T348 Q353 Q354 V355 | S347-L351 PolarHBondContact O-N 3.31Å; T348-L351 PolarHBondContact O-N 3.14Å; L351-Q353 PolarHBondContact O-N 3.12Å; L351-Q354 PolarHBondContact O-N 2.93Å; L351-V355 PolarHBondContact O-N 3.05Å |
| 352 | E | 59.7 | Low | 54.1 | Low | 111 Ų | 111 | 123.2 Ų | 123.2 | 52% | 0.519 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -54.7 | -37.4 | 170.9 | -79 | -162.6 | 119.9 | 0 | 0 | 111.9 | T348 Q354 V355 K356 | T348-E352 PolarHBondContact O-N 2.98Å; E352-Q354 PolarHBondContact O-N 3.16Å; E352-V355 PolarHBondContact O-N 3.26Å; E352-K356 PolarHBondContact O-N 3.21Å |
| 353 | Q | 60.8 | Low | 53.1 | Low | 157 Ų | 157 | 122.2 Ų | 122.2 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.4 | -11.7 | 178.9 | -161.8 | 162.6 | 13.9 | 0 | 0 | 113.8 | L349 L351 | L349-Q353 PolarHBondContact O-N 3.2Å; L351-Q353 PolarHBondContact O-N 3.12Å |
| 354 | Q | 54.4 | Low | 52.2 | Low | 147 Ų | 147 | 122.7 Ų | 122.7 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -102.4 | -28 | 170.7 | -67.3 | -170.2 | -21.8 | 0 | 0 | 113.3 | L351 E352 K356 | L351-Q354 PolarHBondContact O-N 2.93Å; E352-Q354 PolarHBondContact O-N 3.16Å; Q354-K356 VanDerWaalsContact C-N 3.26Å; Q354-K356 PolarHBondContact O-N 3.01Å |
| 355 | V | 55.3 | Low | 51.2 | Low | 89 Ų | 89 | 124.4 Ų | 124.4 | 54% | 0.539 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -68 | -28 | 173.1 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | L351 E352 E357 L358 | L351-V355 PolarHBondContact O-N 3.05Å; E352-V355 PolarHBondContact O-N 3.26Å; V355-E357 PolarHBondContact O-N 3.25Å; V355-L358 PolarHBondContact O-N 3.31Å |
| 356 | K | 57.8 | Low | 50.1 | Low | 153 Ų | 153 | 127.3 Ų | 127.3 | 67% | 0.665 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -3.9 | -179.4 | -116.5 | 162.2 | -173.3 | 142.4 | 0 | 116.9 | E352 Q354 | E352-K356 PolarHBondContact O-N 3.21Å; Q354-K356 VanDerWaalsContact C-N 3.26Å; Q354-K356 PolarHBondContact O-N 3.01Å |
| 357 | E | 55.8 | Low | 49.4 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -9.7 | 170.2 | -67.2 | -156 | 118.8 | 0 | 0 | 114.3 | V355 | V355-E357 PolarHBondContact O-N 3.25Š|
| 358 | L | 50.1 | Low | 48.4 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -2.4 | -179.1 | -70.7 | 176.2 | 0 | 0 | 0 | 115.3 | V355 K360 | V355-L358 PolarHBondContact O-N 3.31Å; L358-K360 VanDerWaalsContact C-N 3.26Å; L358-K360 PolarHBondContact O-N 3.21Å; L358-K360 VanDerWaalsContact O-N 3.07Å |
| 359 | E | 48 | Very low | 47.5 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -83.9 | 62.5 | 168 | -67.3 | -163.9 | 122.8 | 0 | 0 | 112.2 | ||||
| 360 | K | 45.4 | Very low | 46.4 | Very low | 198 Ų | 198 | 133.1 Ų | 133.1 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | -124.3 | 25.5 | 179.9 | -106.4 | -177.6 | -175 | 171.2 | 0 | 116.7 | L358 | L358-K360 VanDerWaalsContact C-N 3.26Å; L358-K360 PolarHBondContact O-N 3.21Å; L358-K360 VanDerWaalsContact O-N 3.07Å | ||
| 361 | S | 39.5 | Very low | 45.3 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -162.1 | 110.2 | 154.5 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 362 | G | 39.4 | Very low | 44.2 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | 82.1 | 85.1 | 140 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 363 | G | 34.8 | Very low | 42.9 | Very low | 82 Ų | 82 | 134 Ų | 134 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | 64.5 | 101.7 | 134.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 364 | A | 34.9 | Very low | 41.5 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | trans | -69.2 | 154.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 365 | E | 37.4 | Very low | 40.6 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | -71.8 | 167.7 | 160.4 | -52.9 | -179.6 | 129.1 | 0 | 0 | 110.9 | ||||
| 366 | E | 35.7 | Very low | 39.7 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | -127.7 | 126.4 | 122.8 | -148.2 | -148.5 | 144.4 | 0 | 0 | 108.8 | R368 | E366-R368 IonicContact OE1-CZ 3.33Å; E366-R368 IonicContact OE1-NE 2.67Å; E366-R368 IonicContact OE1-NH2 3.75Å; E366-R368 PolarHBondContact OE1-NH2 2.93Å | |||
| 367 | P | 43.4 | Very low | 39.1 | Very low | 79 Ų | 79 | 133 Ų | 133 | 51% | 0.513 | 80% | 0.795 | S | S | . | * | trans | -96.3 | 155.6 | 179 | 36.5 | -34.5 | 0 | 0 | 0 | 112.2 | ||||
| 368 | R | 36.7 | Very low | 38.4 | Very low | 224 Ų | 224 | 131 Ų | 131 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -168.1 | 140.4 | 148.2 | -106.9 | 159.3 | -106.6 | -122 | 5.5 | 107.4 | E366 | E366-R368 IonicContact OE1-CZ 3.33Å; E366-R368 IonicContact OE1-NE 2.67Å; E366-R368 IonicContact OE1-NH2 3.75Å; E366-R368 PolarHBondContact OE1-NH2 2.93Å | ||
| 369 | G | 36.2 | Very low | 38.1 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | cis | 158.6 | 87.1 | 6.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 370 | S | 36 | Very low | 38.7 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -67.1 | 177.5 | 178.3 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 371 | E | 32.5 | Very low | 38.1 | Very low | 187 Ų | 187 | 122.6 Ų | 122.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 88.2 | 145.9 | 171.1 | -53 | -172.1 | 165.9 | 0 | 0 | 117 | ||||
| 372 | S | 33.4 | Very low | 38 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | 179.2 | 149.5 | -59.3 | 46.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 373 | A | 32.9 | Very low | 38.7 | Very low | 96 Ų | 96 | 123 Ų | 123 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 68.3 | 174.1 | 149 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 374 | A | 32.2 | Very low | 38.9 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | 64.8 | 129.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 375 | A | 34.7 | Very low | 39.9 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | cis | -160.6 | 162.3 | -0.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 376 | A | 36.2 | Very low | 39.9 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -152.7 | -166.5 | -8.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 377 | R | 45 | Very low | 39.7 | Very low | 230 Ų | 230 | 123.2 Ų | 123.2 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | cis | -145.9 | 162.9 | 16.6 | -61.9 | 178.2 | 72.8 | 168.6 | 2.4 | 110.3 | ||||
| 378 | P | 42.4 | Very low | 39.1 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -88.3 | -173 | -177.6 | 37 | -37.7 | 0 | 0 | 0 | 114.9 | ||||
| 379 | V | 43.6 | Very low | 39 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -110.3 | -148.1 | -161.4 | -160.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 380 | P | 61.2 | Low | 38.6 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | -101.3 | 179.9 | -115.3 | 39.5 | -27.3 | 0 | 0 | 0 | 118.1 | |||||
| 381 | G | 32 | Very low | 38.6 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -163.6 | 146.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 382 | A | 36.8 | Very low | 38.5 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -133.9 | -168.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 383 | P | 55 | Low | 38.4 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | cis | -143.8 | 164.7 | 2.6 | 44.1 | -24.8 | 0 | 0 | 0 | 119.1 | ||||
| 384 | V | 39 | Very low | 38.4 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 79% | 0.788 | 83% | 0.826 | S | S | * | * | 26.8 | 130.9 | 125.3 | -168.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 385 | P | 55.6 | Low | 38.3 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | -158.4 | 156.9 | 70.7 | 42.6 | -20.8 | 0 | 0 | 0 | 123.7 | |||||
| 386 | Q | 36.8 | Very low | 38.1 | Very low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | 69.1 | 124.2 | 137.6 | -73.6 | 175.4 | 1.4 | 0 | 0 | 125.8 | ||||
| 387 | G | 31.8 | Very low | 38.1 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 93.8 | 157.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 388 | A | 30.3 | Very low | 38.4 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | cis | -162.7 | 164.5 | -21.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 389 | W | 34.9 | Very low | 37.7 | Very low | 238 Ų | 238 | 133.1 Ų | 133.1 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -52.9 | 153.3 | -177.5 | -62.5 | 67.5 | 0 | 0 | 0 | 117.3 | ||||
| 390 | M | 28.6 | Very low | 37.1 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | 175.3 | 164.9 | 105.2 | -89.4 | -132.3 | -64.4 | 0 | 0 | 115.2 | |||||
| 391 | C | 35.3 | Very low | 36.2 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -87.8 | 168.1 | 175.8 | -53.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 392 | G | 31 | Very low | 37.2 | Very low | 78 Ų | 78 | 138.4 Ų | 138.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -149.5 | 143.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 393 | Q | 32 | Very low | 37.1 | Very low | 188 Ų | 188 | 137 Ų | 137 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -117.3 | 153.8 | 179.8 | -66.1 | -177.4 | 4.4 | 0 | 0 | 111.7 | ||||
| 394 | A | 32.5 | Very low | 36.1 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | 51.3 | 139.8 | 146 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 395 | G | 30.3 | Very low | 35.8 | Very low | 62 Ų | 62 | 139.8 Ų | 139.8 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | trans | 172.6 | 88.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 396 | W | 29.2 | Very low | 34.8 | Very low | 252 Ų | 252 | 137.6 Ų | 137.6 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | trans | 62.5 | 153.1 | 141.2 | -62.9 | 87.2 | 0 | 0 | 0 | 122.8 | ||||
| 397 | T | 35.9 | Very low | 34.6 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -103.1 | -163.9 | 169.1 | 59.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 398 | P | 51.5 | Low | 34.5 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | cis | -136 | -160.8 | -9.4 | 40.5 | -20.3 | 0 | 0 | 0 | 113.7 | ||||
| 399 | Q | 28.1 | Very low | 34.8 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | 138.2 | 167.3 | 129.8 | -154.7 | 148.9 | 6.9 | 0 | 0 | 115.7 | |||||
| 400 | E | 31.8 | Very low | 34.8 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 73% | 0.729 | 80% | 0.804 | S | S | * | * | trans | -123.8 | 152 | -143.5 | -52.7 | 174.2 | 141.1 | 0 | 0 | 116.6 | ||||
| 401 | H | 41.3 | Very low | 35.2 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | 55 | 174.4 | 145.1 | -66.3 | -41.9 | 0 | 0 | 0 | 120.3 | ||||
| 402 | P | 53.4 | Low | 35 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | cis | -110.3 | -166.5 | -11.2 | 42.6 | -30.5 | 0 | 0 | 0 | 112.2 | ||||
| 403 | G | 34.5 | Very low | 35.2 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | 139.7 | 170.6 | -9.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 404 | L | 35.3 | Very low | 35.3 | Very low | 171 Ų | 171 | 128.6 Ų | 128.6 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | 85 | 144.8 | 172 | -57.9 | 177.2 | 0 | 0 | 0 | 121.4 | ||||
| 405 | S | 31.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 66.2 | 145.9 | 167.3 | 66.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 406 | G | 33.8 | Very low | 35.2 | Very low | 65 Ų | 65 | 129.8 Ų | 129.8 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | cis | 173.2 | 163.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 407 | E | 32.5 | Very low | 35.4 | Very low | 202 Ų | 202 | 121.3 Ų | 121.3 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | 62.2 | 162.4 | 170.1 | -59.9 | -173.8 | 133.2 | 0 | 0 | 117.3 | ||||
| 408 | A | 31.6 | Very low | 35.2 | Very low | 83 Ų | 83 | 120.1 Ų | 120.1 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | cis | 173.7 | -177.2 | -36.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 409 | V | 36.3 | Very low | 34.2 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | 76.6 | 126.2 | 177.7 | -172.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 410 | G | 34.5 | Very low | 34.3 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -138.6 | 164.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 411 | T | 36.4 | Very low | 34.4 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -139.3 | 135.9 | 174.6 | 48.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 412 | G | 31.8 | Very low | 33.9 | Very low | 67 Ų | 67 | 118 Ų | 118 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | -101.9 | -147.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 413 | E | 34.3 | Very low | 32.9 | Very low | 200 Ų | 200 | 117.1 Ų | 117.1 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | 72.9 | 150.5 | -179.7 | -56.5 | -168.9 | 105.1 | 0 | 0 | 116.7 | ||||
| 414 | A | 34.4 | Very low | 32.8 | Very low | 84 Ų | 84 | 122.7 Ų | 122.7 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | cis | -168.6 | 152.4 | -30.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 415 | A | 32.5 | Very low | 32.8 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | 67.9 | 149.6 | 148.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 416 | G | 29 | Very low | 32.6 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | 98.9 | 126.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 417 | G | 31.9 | Very low | 32.7 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | cis | 152.3 | 122.8 | -11.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 418 | A | 31.7 | Very low | 32.7 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | 63.1 | 168.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 419 | E | 30.6 | Very low | 32.8 | Very low | 181 Ų | 181 | 126.6 Ų | 126.6 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | cis | -149.5 | -176.3 | 4.5 | -154.6 | 148.3 | -136 | 0 | 0 | 112.2 | ||||
| 420 | E | 31.8 | Very low | 32.8 | Very low | 183 Ų | 183 | 126.9 Ų | 126.9 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -28.7 | 144.6 | -175.6 | -66.5 | -177.3 | 133.5 | 0 | 0 | 121.9 | ||||
| 421 | A | 33.4 | Very low | 33 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | -156.9 | 141.8 | 121.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 422 | A | 31.2 | Very low | 33.2 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -124.8 | 155 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 423 | C | 32.5 | Very low | 33.6 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | -175.7 | 121.3 | 146.5 | -99.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 424 | H | 32 | Very low | 34.2 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | trans | 48.5 | 149.7 | 146.6 | -55.3 | -60.9 | 0 | 0 | 0 | 121.2 | ||||
| 425 | S | 35 | Very low | 34.3 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | cis | -146.5 | 171.1 | 21.5 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 426 | F | 28.4 | Very low | 34.9 | Very low | 192 Ų | 192 | 141.8 Ų | 141.8 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | -120.9 | 131.4 | -169.2 | -173.5 | -82.5 | 0 | 0 | 0 | 110 | A428 | F426-A428 HydrophobicContact CE1-CB 4.29Š| ||
| 427 | R | 34.2 | Very low | 35.7 | Very low | 245 Ų | 245 | 144 Ų | 144 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -149.3 | 133.9 | 159.8 | -171 | 165.7 | -73.2 | -172.6 | -2.5 | 110.2 | ||||
| 428 | A | 33.3 | Very low | 36.4 | Very low | 79 Ų | 79 | 147.3 Ų | 147.3 | 65% | 0.653 | 80% | 0.801 | S | S | * | * | trans | -102 | 172 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F426 | F426-A428 HydrophobicContact CE1-CB 4.29Š| ||
| 429 | A | 33.4 | Very low | 37.4 | Very low | 95 Ų | 95 | 153.9 Ų | 153.9 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -40.9 | 157.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 430 | E | 37.4 | Very low | 37.8 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 70% | 0.696 | 82% | 0.819 | S | S | * | * | trans | -140.1 | 116.7 | 135.8 | -121.5 | -168.4 | 144.2 | 0 | 0 | 110.8 | R432 | E430-R432 IonicContact OE1-CZ 2.75Å; E430-R432 VanDerWaalsContact OE1-CZ 3.23Å; E430-R432 IonicContact OE1-NE 3.53Å; E430-R432 PolarHBondContact OE1-NE 3.49Å; E430-R432 IonicContact OE1-NH2 2.68Å; E430-R432 PolarHBondContact OE1-NH2 2.94Å | ||
| 431 | N | 38.5 | Very low | 38.1 | Very low | 160 Ų | 160 | 150.9 Ų | 150.9 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | -83.7 | 132.4 | 163.1 | -87 | -15.7 | 0 | 0 | 0 | 108.2 | ||||
| 432 | R | 39.3 | Very low | 38.3 | Very low | 200 Ų | 200 | 153.3 Ų | 153.3 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -140.4 | 109.9 | 159.1 | -69.1 | -165 | -173.6 | -162 | 3 | 112.1 | E430 | E430-R432 IonicContact OE1-CZ 2.75Å; E430-R432 VanDerWaalsContact OE1-CZ 3.23Å; E430-R432 IonicContact OE1-NE 3.53Å; E430-R432 PolarHBondContact OE1-NE 3.49Å; E430-R432 IonicContact OE1-NH2 2.68Å; E430-R432 PolarHBondContact OE1-NH2 2.94Å | ||
| 433 | E | 41.1 | Very low | 38.7 | Very low | 187 Ų | 187 | 156.7 Ų | 156.7 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -67.9 | 142 | 157.6 | -56.4 | 165.9 | 129.4 | 0 | 0 | 108.7 | ||||
| 434 | L | 45.8 | Very low | 39.1 | Very low | 150 Ų | 150 | 159.6 Ų | 159.6 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -137.7 | 82.5 | 163.3 | -81.4 | -178 | 0 | 0 | 0 | 109.8 | I436 | L434-I436 HydrophobicContact CD2-CD1 4.42Š| ||
| 435 | N | 37.6 | Very low | 39.6 | Very low | 157 Ų | 157 | 158 Ų | 158 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -90.5 | 110.7 | 166.9 | -146.5 | -4.4 | 0 | 0 | 0 | 107.4 | ||||
| 436 | I | 45.2 | Very low | 39.9 | Very low | 125 Ų | 125 | 160.7 Ų | 160.7 | 64% | 0.641 | 82% | 0.815 | S | S | * | * | trans | -125.7 | 104.1 | 178.5 | -61.7 | -177.9 | 0 | 0 | 0 | 109.2 | L434 I438 | L434-I436 HydrophobicContact CD2-CD1 4.42Å; I436-I438 HydrophobicContact CG2-CD1 4.18Å; I436-I438 HydrophobicContact CG2-CG1 3.99Å | ||
| 437 | T | 44.8 | Very low | 40.8 | Very low | 132 Ų | 132 | 158.3 Ų | 158.3 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -97.2 | 131.3 | 163.4 | -50 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 438 | I | 47 | Very low | 41.4 | Very low | 144 Ų | 144 | 151.1 Ų | 151.1 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -126.5 | 118.8 | 166.6 | -62.7 | 180 | 0 | 0 | 0 | 108.1 | I436 | I436-I438 HydrophobicContact CG2-CD1 4.18Å; I436-I438 HydrophobicContact CG2-CG1 3.99Å | ||
| 439 | I | 53.4 | Low | 42.1 | Very low | 235 Ų | 235 | 157.6 Ų | 157.6 | 100% | 1.205 | 82% | 0.817 | S | S | * | * | trans | -4.3 | 0 | 162.4 | -48.5 | 176.1 | 0 | 0 | 0 | 115.5 |
Retrieved 439 of 439 residues in 191.1 ms
(Link to these results)