| 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 | 42.3 | Very low | 48.8 | Very low | 233 Ų | 233 | 150.8 Ų | 150.8 | 100% | 1.148 | 82% | 0.822 | S | S | * | * | 0 | 111.7 | 0 | -87.2 | 168.3 | 103.4 | 0 | 0 | 108 | |||||
| 2 | N | 45.7 | Very low | 49.5 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | 174.2 | 81.3 | 138.1 | -89.1 | -4.9 | 0 | 0 | 0 | 106.9 | M4 | N2-M4 PolarHBondContact O-N 2.93Š| ||
| 3 | A | 46.3 | Very low | 49.9 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -69.3 | 91.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | L5 | A3-L5 PolarHBondContact O-N 2.88Š| ||
| 4 | M | 50 | Low | 50.4 | Low | 168 Ų | 168 | 141.7 Ų | 141.7 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | -80 | 104.2 | 164.6 | -82.1 | -168.6 | 166.2 | 0 | 0 | 107 | N2 E6 | N2-M4 PolarHBondContact O-N 2.93Å; M4-E6 PolarHBondContact O-N 3.13Å | ||
| 5 | L | 50.4 | Low | 52.1 | Low | 162 Ų | 162 | 140.1 Ų | 140.1 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -45.6 | 117 | 169.9 | -72.9 | 140.6 | 0 | 0 | 0 | 109.6 | A3 T7 | A3-L5 PolarHBondContact O-N 2.88Å; L5-T7 PolarHBondContact O-N 3.45Å | ||
| 6 | E | 48.6 | Very low | 54 | Low | 192 Ų | 192 | 134 Ų | 134 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | trans | -58.6 | 102.9 | 164.5 | -73.3 | 176.2 | 162.7 | 0 | 0 | 107.9 | M4 | M4-E6 PolarHBondContact O-N 3.13Š| ||
| 7 | T | 48.5 | Very low | 55.9 | Low | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -65 | 124.3 | 162.4 | 38.4 | 0 | 0 | 0 | 0 | 107.5 | L5 E9 | L5-T7 PolarHBondContact O-N 3.45Å; T7-E9 PolarHBondContact O-N 3.16Å | ||
| 8 | P | 50.4 | Low | 57.5 | Low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | -64.9 | 113.7 | 179.4 | 25.3 | -31.4 | 0 | 0 | 0 | 108.7 | L10 | P8-L10 PolarHBondContact O-N 2.96Š| ||
| 9 | E | 53 | Low | 59.1 | Low | 184 Ų | 184 | 130.7 Ų | 130.7 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | -58.8 | 104.5 | 165.8 | -72.7 | -173.6 | 158.8 | 0 | 0 | 107.4 | T7 P11 | T7-E9 PolarHBondContact O-N 3.16Å; E9-P11 WeakPolarHBondContact O-CD 3.46Å; E9-P11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | L | 52 | Low | 60.6 | Low | 144 Ų | 144 | 127.2 Ų | 127.2 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | trans | -56.8 | 115.2 | 167.3 | -98 | 148.1 | 0 | 0 | 0 | 107.2 | P8 | P8-L10 PolarHBondContact O-N 2.96Š| ||
| 11 | P | 49.9 | Very low | 61.9 | Low | 90 Ų | 90 | 123.7 Ų | 123.7 | 58% | 0.584 | 70% | 0.702 | S | S | * | * | trans | -75.5 | 150.7 | -160.2 | 29.2 | -35 | 0 | 0 | 0 | 110.9 | E9 V13 F14 | E9-P11 WeakPolarHBondContact O-CD 3.46Å; E9-P11 VanDerWaalsContact O-N 3.1Å; P11-V13 PolarHBondContact O-N 2.93Å; P11-F14 PolarHBondContact O-N 3.1Å | ||
| 12 | A | 57.2 | Low | 64.2 | Low | 86 Ų | 86 | 116.5 Ų | 116.5 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.6 | -17 | -176.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | F14 D15 G16 | A12-F14 PolarHBondContact O-N 2.96Å; A12-D15 WeakPolarHBondContact O-CB 3.34Å; A12-D15 PolarHBondContact O-N 3.38Å; A12-D15 VanDerWaalsContact O-N 3.1Å; A12-G16 PolarHBondContact O-N 3.08Å |
| 13 | V | 54.9 | Low | 66.3 | Low | 109 Ų | 109 | 112.2 Ų | 112.2 | 66% | 0.661 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -54.7 | -37.9 | 171.7 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | P11 D15 G16 V17 | P11-V13 PolarHBondContact O-N 2.93Å; V13-D15 PolarHBondContact O-N 3.11Å; V13-G16 PolarHBondContact O-N 3.47Å; V13-V17 PolarHBondContact O-N 3.09Å |
| 14 | F | 55.9 | Low | 68.4 | Low | 130 Ų | 130 | 110 Ų | 110 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.6 | -26.1 | 179.4 | -134.8 | -85.8 | 0 | 0 | 0 | 112.7 | P11 A12 K18 | P11-F14 PolarHBondContact O-N 3.1Å; A12-F14 PolarHBondContact O-N 2.96Å; F14-K18 HydrophobicContact CD1-CD 4.49Å; F14-K18 WeakPolarHBondContact O-CG 3.47Å; F14-K18 PolarHBondContact O-N 3.13Å |
| 15 | D | 75.7 | Confident | 70.2 | Confident | 118 Ų | 118 | 106.1 Ų | 106.1 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -80.2 | -39.9 | 177.7 | -153.6 | 9.4 | 0 | 0 | 0 | 111 | A12 V13 V17 K18 L19 | A12-D15 WeakPolarHBondContact O-CB 3.34Å; A12-D15 PolarHBondContact O-N 3.38Å; A12-D15 VanDerWaalsContact O-N 3.1Å; V13-D15 PolarHBondContact O-N 3.11Å; D15-V17 PolarHBondContact O-N 3.23Å; D15-K18 PolarHBondContact O-N 3.39Å; D15-L19 WeakPolarHBondContact O-CB 3.5Å; D15-L19 PolarHBondContact O-N 3.43Å |
| 16 | G | 83 | Confident | 71.9 | Confident | 42 Ų | 42 | 103 Ų | 103 | 43% | 0.433 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A12 V13 L19 A20 | A12-G16 PolarHBondContact O-N 3.08Å; V13-G16 PolarHBondContact O-N 3.47Å; G16-L19 PolarHBondContact O-N 3.43Å; G16-A20 VanDerWaalsContact O-CB 3.26Å; G16-A20 WeakPolarHBondContact O-CB 3.16Å; G16-A20 PolarHBondContact O-N 3.27Å |
| 17 | V | 85.9 | Confident | 73.7 | Confident | 96 Ų | 96 | 100.3 Ų | 100.3 | 58% | 0.582 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68 | -42.1 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | V13 D15 A20 A21 | V13-V17 PolarHBondContact O-N 3.09Å; D15-V17 PolarHBondContact O-N 3.23Å; V17-A20 PolarHBondContact O-N 2.99Å; V17-A21 WeakPolarHBondContact O-CB 3.31Å; V17-A21 PolarHBondContact O-N 3.33Å |
| 18 | K | 85.2 | Confident | 75.5 | Confident | 123 Ų | 123 | 98.5 Ų | 98.5 | 54% | 0.535 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.5 | -45.4 | 175.2 | -75.3 | 174.7 | 179.2 | 172.4 | 0 | 111.1 | F14 D15 A20 A21 V22 | F14-K18 HydrophobicContact CD1-CD 4.49Å; F14-K18 WeakPolarHBondContact O-CG 3.47Å; F14-K18 PolarHBondContact O-N 3.13Å; D15-K18 PolarHBondContact O-N 3.39Å; K18-A20 PolarHBondContact O-N 3.39Å; K18-A21 PolarHBondContact O-N 3.05Å; K18-V22 WeakPolarHBondContact O-CB 3.3Å; K18-V22 VanDerWaalsContact O-CG2 3.27Å; K18-V22 WeakPolarHBondContact O-CG2 3.43Å; K18-V22 PolarHBondContact O-N 3.24Å |
| 19 | L | 88.1 | Confident | 77.1 | Confident | 120 Ų | 120 | 96.5 Ų | 96.5 | 63% | 0.628 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.2 | -43.6 | 177.5 | -170.6 | 69.7 | 0 | 0 | 0 | 111.4 | D15 G16 V22 A23 | D15-L19 WeakPolarHBondContact O-CB 3.5Å; D15-L19 PolarHBondContact O-N 3.43Å; G16-L19 PolarHBondContact O-N 3.43Å; L19-V22 PolarHBondContact O-N 2.92Å; L19-A23 VanDerWaalsContact O-CB 3.28Å; L19-A23 WeakPolarHBondContact O-CB 3.3Å; L19-A23 PolarHBondContact O-N 2.88Å |
| 20 | A | 89 | Confident | 78.5 | Confident | 61 Ų | 61 | 90.1 Ų | 90.1 | 50% | 0.504 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G16 V17 K18 A23 A24 | G16-A20 VanDerWaalsContact O-CB 3.26Å; G16-A20 WeakPolarHBondContact O-CB 3.16Å; G16-A20 PolarHBondContact O-N 3.27Å; V17-A20 PolarHBondContact O-N 2.99Å; K18-A20 PolarHBondContact O-N 3.39Å; A20-A23 PolarHBondContact O-N 2.74Å; A20-A24 WeakPolarHBondContact O-CB 3.49Å; A20-A24 PolarHBondContact O-N 3.03Å |
| 21 | A | 88.8 | Confident | 80 | Confident | 53 Ų | 53 | 91.4 Ų | 91.4 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V17 K18 A24 V25 | V17-A21 WeakPolarHBondContact O-CB 3.31Å; V17-A21 PolarHBondContact O-N 3.33Å; K18-A21 PolarHBondContact O-N 3.05Å; A21-A24 PolarHBondContact O-N 3.49Å; A21-V25 VanDerWaalsContact O-CG2 3.3Å; A21-V25 WeakPolarHBondContact O-CG2 3.46Å; A21-V25 PolarHBondContact O-N 3.45Å |
| 22 | V | 89.4 | Confident | 81.5 | Confident | 83 Ų | 83 | 90.9 Ų | 90.9 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | K18 L19 A24 V25 L26 | K18-V22 WeakPolarHBondContact O-CB 3.3Å; K18-V22 VanDerWaalsContact O-CG2 3.27Å; K18-V22 WeakPolarHBondContact O-CG2 3.43Å; K18-V22 PolarHBondContact O-N 3.24Å; L19-V22 PolarHBondContact O-N 2.92Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 2.84Å; V22-V25 PolarHBondContact O-N 2.69Å; V22-L26 HydrophobicContact CG1-CD1 3.94Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 VanDerWaalsContact O-CG 3.31Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 2.64Å |
| 23 | A | 89.7 | Confident | 82.8 | Confident | 54 Ų | 54 | 88.2 Ų | 88.2 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L19 A20 L26 Y27 | L19-A23 VanDerWaalsContact O-CB 3.28Å; L19-A23 WeakPolarHBondContact O-CB 3.3Å; L19-A23 PolarHBondContact O-N 2.88Å; A20-A23 PolarHBondContact O-N 2.74Å; A23-L26 PolarHBondContact O-N 3.27Å; A23-Y27 VanDerWaalsContact O-CB 3.25Å; A23-Y27 WeakPolarHBondContact O-CB 3.03Å; A23-Y27 PolarHBondContact O-N 2.85Å |
| 24 | A | 90.3 | Very high | 84.3 | Confident | 54 Ų | 54 | 85.9 Ų | 85.9 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A20 A21 V22 Y27 V28 | A20-A24 WeakPolarHBondContact O-CB 3.49Å; A20-A24 PolarHBondContact O-N 3.03Å; A21-A24 PolarHBondContact O-N 3.49Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 2.84Å; A24-Y27 PolarHBondContact O-N 3.34Å; A24-V28 VanDerWaalsContact O-CG2 3.28Å; A24-V28 WeakPolarHBondContact O-CG2 3.38Å; A24-V28 PolarHBondContact O-N 2.95Å |
| 25 | V | 87.6 | Confident | 85.5 | Confident | 87 Ų | 87 | 82.7 Ų | 82.7 | 53% | 0.527 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62 | -47 | 175.3 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | A21 V22 Y27 V28 I29 | A21-V25 VanDerWaalsContact O-CG2 3.3Å; A21-V25 WeakPolarHBondContact O-CG2 3.46Å; A21-V25 PolarHBondContact O-N 3.45Å; V22-V25 PolarHBondContact O-N 2.69Å; V25-Y27 VanDerWaalsContact C-N 3.33Å; V25-Y27 PolarHBondContact O-N 2.76Å; V25-V28 PolarHBondContact O-N 3.25Å; V25-I29 HydrophobicContact CG1-CD1 3.78Å; V25-I29 HydrophobicContact CG1-CG1 4.45Å; V25-I29 VanDerWaalsContact O-CG1 3.26Å; V25-I29 WeakPolarHBondContact O-CG1 3.46Å; V25-I29 PolarHBondContact O-N 3.13Å |
| 26 | L | 86.9 | Confident | 85.9 | Confident | 98 Ų | 98 | 85.8 Ų | 85.8 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 176.3 | -72.3 | 174.2 | 0 | 0 | 0 | 111.8 | V22 A23 I29 V30 | V22-L26 HydrophobicContact CG1-CD1 3.94Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 VanDerWaalsContact O-CG 3.31Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 2.64Å; A23-L26 PolarHBondContact O-N 3.27Å; L26-I29 PolarHBondContact O-N 3.25Å; L26-V30 WeakPolarHBondContact O-CB 3.36Å; L26-V30 VanDerWaalsContact O-CG2 3.24Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 3.41Å |
| 27 | Y | 86.3 | Confident | 86.2 | Confident | 135 Ų | 135 | 84.7 Ų | 84.7 | 53% | 0.529 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.6 | 175.3 | -94.6 | 0 | 0 | 0 | 111.7 | A23 A24 V25 I29 V30 R31 | A23-Y27 VanDerWaalsContact O-CB 3.25Å; A23-Y27 WeakPolarHBondContact O-CB 3.03Å; A23-Y27 PolarHBondContact O-N 2.85Å; A24-Y27 PolarHBondContact O-N 3.34Å; V25-Y27 VanDerWaalsContact C-N 3.33Å; V25-Y27 PolarHBondContact O-N 2.76Å; Y27-I29 VanDerWaalsContact C-N 3.34Å; Y27-I29 PolarHBondContact O-N 3.37Å; Y27-V30 PolarHBondContact O-N 2.82Å; Y27-R31 HydrophobicContact CD1-CG 4.2Å; Y27-R31 HydrophobicContact CD2-CG 4.47Å; Y27-R31 HydrophobicContact CE1-CG 3.79Å; Y27-R31 HydrophobicContact CE2-CG 4.09Å; Y27-R31 WeakPolarHBondContact O-CB 3.48Å; Y27-R31 VanDerWaalsContact O-CG 3.23Å; Y27-R31 WeakPolarHBondContact O-CG 3.12Å; Y27-R31 PolarHBondContact O-N 3.33Å; Y27-R31 PolarHBondContact OH-NE 3.49Å |
| 28 | V | 85.6 | Confident | 86.5 | Confident | 82 Ų | 82 | 84.1 Ų | 84.1 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | A24 V25 R31 C32 | A24-V28 VanDerWaalsContact O-CG2 3.28Å; A24-V28 WeakPolarHBondContact O-CG2 3.38Å; A24-V28 PolarHBondContact O-N 2.95Å; V25-V28 PolarHBondContact O-N 3.25Å; V28-R31 PolarHBondContact O-N 2.9Å; V28-C32 WeakPolarHBondContact O-CB 3.23Å; V28-C32 PolarHBondContact O-N 2.86Å; V28-C32 PolarHBondContact O-SG 2.92Å |
| 29 | I | 84.6 | Confident | 86.8 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 40% | 0.4 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.6 | -51.8 | 176.2 | -69.6 | 166.5 | 0 | 0 | 0 | 110.7 | V25 L26 Y27 R31 C32 L33 | V25-I29 HydrophobicContact CG1-CD1 3.78Å; V25-I29 HydrophobicContact CG1-CG1 4.45Å; V25-I29 VanDerWaalsContact O-CG1 3.26Å; V25-I29 WeakPolarHBondContact O-CG1 3.46Å; V25-I29 PolarHBondContact O-N 3.13Å; L26-I29 PolarHBondContact O-N 3.25Å; Y27-I29 VanDerWaalsContact C-N 3.34Å; Y27-I29 PolarHBondContact O-N 3.37Å; I29-R31 PolarHBondContact O-N 3.26Å; I29-C32 PolarHBondContact O-N 3.04Å; I29-L33 HydrophobicContact CG2-CD1 3.5Å; I29-L33 VanDerWaalsContact CG2-CD1 3.5Å; I29-L33 HydrophobicContact CG2-CG 4.05Å; I29-L33 VanDerWaalsContact O-CB 3.26Å; I29-L33 WeakPolarHBondContact O-CB 3.35Å; I29-L33 WeakPolarHBondContact O-CG 3.42Å; I29-L33 PolarHBondContact O-N 3.05Å |
| 30 | V | 83.4 | Confident | 87.1 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 30% | 0.303 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.5 | -37.9 | 179.6 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | L26 Y27 N34 L35 | L26-V30 WeakPolarHBondContact O-CB 3.36Å; L26-V30 VanDerWaalsContact O-CG2 3.24Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 3.41Å; Y27-V30 PolarHBondContact O-N 2.82Å; V30-N34 PolarHBondContact O-N 3.18Å; V30-N34 VanDerWaalsContact O-N 3.15Å; V30-L35 HydrophobicContact CG2-CD1 4.29Å; V30-L35 PolarHBondContact O-N 3.26Å |
| 31 | R | 82.4 | Confident | 87.4 | Confident | 171 Ų | 171 | 76.3 Ų | 76.3 | 65% | 0.645 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70 | -47.8 | 176.1 | -73 | -83.3 | -88.2 | -175.9 | -6.1 | 111.9 | Y27 V28 I29 L33 N34 | Y27-R31 HydrophobicContact CD1-CG 4.2Å; Y27-R31 HydrophobicContact CD2-CG 4.47Å; Y27-R31 HydrophobicContact CE1-CG 3.79Å; Y27-R31 HydrophobicContact CE2-CG 4.09Å; Y27-R31 WeakPolarHBondContact O-CB 3.48Å; Y27-R31 VanDerWaalsContact O-CG 3.23Å; Y27-R31 WeakPolarHBondContact O-CG 3.12Å; Y27-R31 PolarHBondContact O-N 3.33Å; Y27-R31 PolarHBondContact OH-NE 3.49Å; V28-R31 PolarHBondContact O-N 2.9Å; I29-R31 PolarHBondContact O-N 3.26Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 2.7Å; R31-N34 PolarHBondContact O-N 3.11Å; R31-N34 VanDerWaalsContact O-N 3.13Å |
| 32 | C | 82.4 | Confident | 87.8 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 53% | 0.527 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 178.8 | -72.1 | 0 | 0 | 0 | 0 | 112.8 | V28 I29 N34 S75 | V28-C32 WeakPolarHBondContact O-CB 3.23Å; V28-C32 PolarHBondContact O-N 2.86Å; V28-C32 PolarHBondContact O-SG 2.92Å; I29-C32 PolarHBondContact O-N 3.04Å; C32-N34 VanDerWaalsContact C-N 3.29Å; C32-S75 WeakPolarHBondContact O-CB 3.25Å; C32-S75 PolarHBondContact O-OG 3.11Å |
| 33 | L | 84.2 | Confident | 88.3 | Confident | 30 Ų | 30 | 74.9 Ų | 74.9 | 16% | 0.157 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -11.1 | 176.6 | -66.5 | -178 | 0 | 0 | 0 | 113.1 | I29 R31 L35 I71 W72 I78 | I29-L33 HydrophobicContact CG2-CD1 3.5Å; I29-L33 VanDerWaalsContact CG2-CD1 3.5Å; I29-L33 HydrophobicContact CG2-CG 4.05Å; I29-L33 VanDerWaalsContact O-CB 3.26Å; I29-L33 WeakPolarHBondContact O-CB 3.35Å; I29-L33 WeakPolarHBondContact O-CG 3.42Å; I29-L33 PolarHBondContact O-N 3.05Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 2.7Å; L33-L35 HydrophobicContact CB-CD1 4.36Å; L33-L35 HydrophobicContact CB-CD2 3.92Å; L33-L35 HydrophobicContact CB-CG 3.72Å; L33-L35 HydrophobicContact CD1-CD1 4.21Å; L33-L35 HydrophobicContact CD1-CD2 4.41Å; L33-L35 HydrophobicContact CD1-CG 4.39Å; L33-L35 PolarHBondContact O-N 3.14Å; L33-L35 VanDerWaalsContact O-N 3.17Å; L33-I71 WeakPolarHBondContact CB-O 3.42Å; L33-I71 HydrophobicContact CD1-CG2 4.19Å; L33-I71 WeakPolarHBondContact CD1-O 3.41Å; L33-I71 WeakPolarHBondContact CD2-O 3.41Å; L33-W72 HydrophobicContact CD2-CB 4.14Å; L33-I78 HydrophobicContact CD2-CD1 3.53Å |
| 34 | N | 85.2 | Confident | 88.7 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 33% | 0.326 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 35.7 | -179.1 | -162.4 | 27.4 | 0 | 0 | 0 | 113.9 | V30 R31 C32 K36 S37 K74 | V30-N34 PolarHBondContact O-N 3.18Å; V30-N34 VanDerWaalsContact O-N 3.15Å; R31-N34 PolarHBondContact O-N 3.11Å; R31-N34 VanDerWaalsContact O-N 3.13Å; C32-N34 VanDerWaalsContact C-N 3.29Å; N34-K36 PolarHBondContact O-N 2.88Å; N34-S37 WeakPolarHBondContact ND2-CB 3.46Å; N34-S37 WeakPolarHBondContact O-CB 3.41Å; N34-S37 PolarHBondContact O-N 3.17Å; N34-K74 HydrophobicContact CB-CB 4.33Å; N34-K74 VanDerWaalsContact CB-O 3.29Å; N34-K74 WeakPolarHBondContact CB-O 3.5Å; N34-K74 PolarHBondContact ND2-O 2.89Å |
| 35 | L | 82.8 | Confident | 89 | Confident | 63 Ų | 63 | 74.9 Ų | 74.9 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27 | -170.6 | -65.1 | 177.9 | 0 | 0 | 0 | 113.8 | V30 L33 S37 L70 I71 K74 | V30-L35 HydrophobicContact CG2-CD1 4.29Å; V30-L35 PolarHBondContact O-N 3.26Å; L33-L35 HydrophobicContact CB-CD1 4.36Å; L33-L35 HydrophobicContact CB-CD2 3.92Å; L33-L35 HydrophobicContact CB-CG 3.72Å; L33-L35 HydrophobicContact CD1-CD1 4.21Å; L33-L35 HydrophobicContact CD1-CD2 4.41Å; L33-L35 HydrophobicContact CD1-CG 4.39Å; L33-L35 PolarHBondContact O-N 3.14Å; L33-L35 VanDerWaalsContact O-N 3.17Å; L35-S37 VanDerWaalsContact C-N 3.32Å; L35-L70 WeakPolarHBondContact CD2-O 3.38Å; L35-I71 WeakPolarHBondContact CD2-O 3.27Å; L35-K74 PolarHBondContact O-NZ 2.96Å |
| 36 | K | 83.8 | Confident | 89.5 | Confident | 182 Ų | 182 | 73.8 Ų | 73.8 | 79% | 0.791 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -14.9 | -179.5 | -67.4 | -171.7 | 177.3 | -173.8 | 0 | 113.8 | N34 | N34-K36 PolarHBondContact O-N 2.88Š|
| 37 | S | 88 | Confident | 90.1 | Very high | 19 Ų | 19 | 71.9 Ų | 71.9 | 13% | 0.133 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -67.5 | 136.4 | -178.4 | -162.2 | 0 | 0 | 0 | 0 | 110.5 | N34 L35 K74 H373 | N34-S37 WeakPolarHBondContact ND2-CB 3.46Å; N34-S37 WeakPolarHBondContact O-CB 3.41Å; N34-S37 PolarHBondContact O-N 3.17Å; L35-S37 VanDerWaalsContact C-N 3.32Å; S37-K74 WeakPolarHBondContact O-CD 3.29Å; S37-K74 WeakPolarHBondContact O-CE 3.4Å; S37-K74 PolarHBondContact O-NZ 3.37Å; S37-H373 PolarHBondContact OG-CE1 3.35Å; S37-H373 PolarHBondContact OG-NE2 2.99Å |
| 38 | P | 91.8 | Very high | 90.6 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 162.8 | 176.5 | 30.1 | -35.6 | 0 | 0 | 0 | 110.6 | L372 H373 | P38-L372 HydrophobicContact CG-CD2 4.06Å; P38-L372 WeakPolarHBondContact O-CD2 3.36Å; P38-H373 PolarHBondContact O-NE2 2.78Å |
| 39 | T | 91.5 | Very high | 91.1 | Very high | 40 Ų | 40 | 67 Ų | 67 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 149.3 | 160 | 43.2 | 0 | 0 | 0 | 0 | 107.7 | E65 P68 | T39-E65 WeakPolarHBondContact CB-OE1 3.31Å; T39-E65 PolarHBondContact OG1-OE1 3.47Å; T39-P68 HydrophobicContact CG2-CG 4.3Å |
| 40 | A | 94.9 | Very high | 91.6 | Very high | 38 Ų | 38 | 65.2 Ų | 65.2 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -156.4 | 161.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y66 | A40-Y66 PolarHBondContact O-N 3.36Å |
| 41 | P | 96.5 | Very high | 92.2 | Very high | 63 Ų | 63 | 63.9 Ų | 63.9 | 41% | 0.409 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 156.4 | 158.9 | -23.7 | 35.6 | 0 | 0 | 0 | 111.2 | T63 | P41-T63 WeakPolarHBondContact CB-O 3.34Å; P41-T63 WeakPolarHBondContact CG-O 3.48Å |
| 42 | P | 97.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 144.3 | 173.4 | 29.5 | -34.7 | 0 | 0 | 0 | 111.4 | L44 L62 V369 P371 W392 | P42-L44 HydrophobicContact CB-CD2 4.45Å; P42-L44 HydrophobicContact CG-CD2 4.17Å; P42-L44 PolarHBondContact O-N 2.76Å; P42-L62 VanDerWaalsContact CG-O 3.25Å; P42-L62 WeakPolarHBondContact CG-O 3.46Å; P42-V369 HydrophobicContact CB-CG1 3.66Å; P42-V369 HydrophobicContact CG-CG1 3.95Å; P42-P371 HydrophobicContact CB-CB 4.35Å; P42-P371 HydrophobicContact CB-CG 3.93Å; P42-W392 HydrophobicContact CG-CZ2 4.21Å |
| 43 | D | 98 | Very high | 93.7 | Very high | 98 Ų | 98 | 59.3 Ų | 59.3 | 52% | 0.524 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 132 | 167 | -70.8 | -33.4 | 0 | 0 | 0 | 108.7 | Y45 L370 | D43-Y45 HydrophobicContact CB-CE2 4.09Å; D43-L370 HydrophobicContact CB-CB 4.27Å; D43-L370 PolarHBondContact N-O 3.43Å; D43-L370 PolarHBondContact O-N 3.34Å |
| 44 | L | 98.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 59.8 Ų | 59.8 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.1 | -178 | -58.6 | -177.9 | 0 | 0 | 0 | 110.5 | P42 F46 L56 L62 F368 V369 | P42-L44 HydrophobicContact CB-CD2 4.45Å; P42-L44 HydrophobicContact CG-CD2 4.17Å; P42-L44 PolarHBondContact O-N 2.76Å; L44-F46 HydrophobicContact CB-CD1 3.81Å; L44-F46 HydrophobicContact CB-CE1 3.65Å; L44-F46 HydrophobicContact CD1-CE1 4.2Å; L44-L56 HydrophobicContact CD1-CD2 3.43Å; L44-L56 VanDerWaalsContact CD1-CD2 3.43Å; L44-L62 HydrophobicContact CD1-CB 4.2Å; L44-L62 WeakPolarHBondContact CD1-O 3.45Å; L44-L62 HydrophobicContact CD2-CD2 4.18Å; L44-F368 WeakPolarHBondContact CA-O 3.32Å; L44-V369 HydrophobicContact CD2-CB 4.18Å; L44-V369 HydrophobicContact CD2-CG1 3.87Å; L44-V369 HydrophobicContact CD2-CG2 3.9Å |
| 45 | Y | 98.4 | Very high | 94.9 | Very high | 63 Ų | 63 | 57 Ų | 57 | 25% | 0.247 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.9 | 172.6 | -54.1 | -100.5 | 0 | 0 | 0 | 108.7 | D43 K357 S360 F368 L370 | D43-Y45 HydrophobicContact CB-CE2 4.09Å; Y45-K357 HydrophobicContact CD1-CG 4.09Å; Y45-K357 HydrophobicContact CD2-CG 4.2Å; Y45-K357 HydrophobicContact CE1-CD 4.03Å; Y45-K357 HydrophobicContact CE1-CG 4.05Å; Y45-K357 HydrophobicContact CE2-CD 4.33Å; Y45-K357 HydrophobicContact CE2-CG 4.12Å; Y45-K357 HydrophobicContact CG-CG 4.18Å; Y45-K357 VanDerWaalsContact OH-CE 3.32Å; Y45-K357 WeakPolarHBondContact OH-CE 3.32Å; Y45-K357 PolarHBondContact OH-NZ 2.86Å; Y45-S360 VanDerWaalsContact CB-OG 3.26Å; Y45-S360 WeakPolarHBondContact CB-OG 3.45Å; Y45-S360 VanDerWaalsContact O-CB 3.22Å; Y45-S360 WeakPolarHBondContact O-CB 3.5Å; Y45-S360 PolarHBondContact O-OG 3.02Å; Y45-F368 AromaticContact CD2-CD1 3.43Å; Y45-F368 HydrophobicContact CD2-CD1 3.43Å; Y45-F368 VanDerWaalsContact CD2-CD1 3.43Å; Y45-F368 HydrophobicContact CD2-CE1 4.01Å; Y45-F368 HydrophobicContact CD2-CG 4.33Å; Y45-F368 AromaticContact CE2-CD1 3.98Å; Y45-F368 HydrophobicContact CE2-CD1 3.98Å; Y45-F368 HydrophobicContact CE2-CE1 4.09Å; Y45-F368 HydrophobicContact CG-CD1 4.1Å; Y45-F368 PolarHBondContact N-O 3.41Å; Y45-F368 PolarHBondContact O-N 2.87Å; Y45-L370 HydrophobicContact CE2-CB 4.35Å; Y45-L370 HydrophobicContact CE2-CD2 4.19Å |
| 46 | F | 98 | Very high | 95.6 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | trans | -165.7 | 162.4 | -178 | 59.3 | -84.5 | 0 | 0 | 0 | 109.5 | L44 S52 L56 M367 | L44-F46 HydrophobicContact CB-CD1 3.81Å; L44-F46 HydrophobicContact CB-CE1 3.65Å; L44-F46 HydrophobicContact CD1-CE1 4.2Å; F46-S52 VanDerWaalsContact CD2-CB 3.43Å; F46-L56 HydrophobicContact CE2-CD1 4.22Å; F46-L56 HydrophobicContact CZ-CD1 3.78Å; F46-M367 HydrophobicContact CB-CB 4.39Å; F46-M367 HydrophobicContact CB-CE 4.39Å; F46-M367 HydrophobicContact CB-CG 4.29Å; F46-M367 HydrophobicContact CD1-CE 4.33Å; F46-M367 HydrophobicContact CG-CE 4.23Å | ||
| 47 | Q | 97.7 | Very high | 96.2 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 27% | 0.271 | 30% | 0.298 | S | S | . | . | trans | -87.1 | 138.3 | 164.7 | -64.7 | -172.6 | 0.6 | 0 | 0 | 110.7 | S49 S52 E361 E364 | Q47-S49 PolarHBondContact O-N 3.32Å; Q47-S52 PolarHBondContact O-OG 2.89Å; Q47-E361 PolarHBondContact NE2-O 3.06Å; Q47-E364 HydrophobicContact CB-CG 4.15Å | ||
| 48 | D | 96.9 | Very high | 96.6 | Very high | 100 Ų | 100 | 57.1 Ų | 57.1 | 54% | 0.535 | 30% | 0.303 | S | S | . | . | trans | -62.2 | 120.8 | 173.8 | -178.3 | 42.3 | 0 | 0 | 0 | 110.1 | R53 | D48-R53 WeakPolarHBondContact OD1-CG 3.35Å; D48-R53 IonicContact OD1-CZ 3.58Å; D48-R53 IonicContact OD1-NE 2.8Å; D48-R53 PolarHBondContact OD1-NE 3.31Å; D48-R53 IonicContact OD1-NH2 3.57Å; D48-R53 IonicContact OD2-CZ 3.44Å; D48-R53 IonicContact OD2-NE 3.4Å; D48-R53 PolarHBondContact OD2-NE 3.34Å; D48-R53 IonicContact OD2-NH2 2.67Å; D48-R53 PolarHBondContact OD2-NH2 3.22Å | ||
| 49 | S | 96.1 | Very high | 96.9 | Very high | 14 Ų | 14 | 53.1 Ų | 53.1 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | trans | -153.4 | 165.9 | -174.3 | 73.4 | 0 | 0 | 0 | 0 | 109.6 | Q47 L51 S52 R53 | Q47-S49 PolarHBondContact O-N 3.32Å; S49-L51 PolarHBondContact O-N 3.19Å; S49-S52 PolarHBondContact N-OG 3.37Å; S49-S52 PolarHBondContact O-N 3.46Å; S49-S52 PolarHBondContact O-OG 2.86Å; S49-S52 PolarHBondContact OG-N 2.9Å; S49-S52 VanDerWaalsContact OG-N 3.12Å; S49-S52 PolarHBondContact OG-OG 3.28Å; S49-R53 WeakPolarHBondContact O-CG 3.44Å; S49-R53 PolarHBondContact O-N 3.04Å | ||
| 50 | G | 96 | Very high | 97.1 | Very high | 42 Ų | 42 | 54.3 Ų | 54.3 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.4 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | F54 | G50-F54 WeakPolarHBondContact O-CB 2.92Å; G50-F54 PolarHBondContact O-N 2.77Å; G50-F54 VanDerWaalsContact O-N 3.09Å |
| 51 | L | 96.5 | Very high | 97.2 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -49.1 | 176.8 | 174.6 | 61 | 0 | 0 | 0 | 111.8 | S49 R53 F54 L55 P336 I404 W407 | S49-L51 PolarHBondContact O-N 3.19Å; L51-R53 PolarHBondContact O-N 3.19Å; L51-F54 PolarHBondContact O-N 3.1Å; L51-L55 HydrophobicContact CD1-CD1 3.89Å; L51-L55 HydrophobicContact CD1-CG 3.99Å; L51-L55 HydrophobicContact CG-CD1 3.87Å; L51-L55 HydrophobicContact CG-CG 4.4Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.36Å; L51-L55 PolarHBondContact O-N 3.1Å; L51-P336 HydrophobicContact CD2-CB 4.12Å; L51-P336 HydrophobicContact CD2-CG 3.96Å; L51-I404 HydrophobicContact CD1-CD1 3.8Å; L51-W407 HydrophobicContact CB-CZ2 4.28Å; L51-W407 HydrophobicContact CD1-CD2 4.15Å; L51-W407 HydrophobicContact CD1-CG 3.97Å |
| 52 | S | 97.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.9 | -40.1 | -177 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | F46 Q47 S49 F54 L55 L56 | F46-S52 VanDerWaalsContact CD2-CB 3.43Å; Q47-S52 PolarHBondContact O-OG 2.89Å; S49-S52 PolarHBondContact N-OG 3.37Å; S49-S52 PolarHBondContact O-N 3.46Å; S49-S52 PolarHBondContact O-OG 2.86Å; S49-S52 PolarHBondContact OG-N 2.9Å; S49-S52 VanDerWaalsContact OG-N 3.12Å; S49-S52 PolarHBondContact OG-OG 3.28Å; S52-F54 VanDerWaalsContact C-N 3.34Å; S52-F54 PolarHBondContact O-N 3.41Å; S52-L55 PolarHBondContact O-N 3.09Å; S52-L56 VanDerWaalsContact O-CG 3.3Å; S52-L56 WeakPolarHBondContact O-CG 3.44Å; S52-L56 PolarHBondContact O-N 3.34Å |
| 53 | R | 97.6 | Very high | 97.3 | Very high | 150 Ų | 150 | 53.7 Ų | 53.7 | 57% | 0.566 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.8 | -40.1 | 173.1 | -65 | 178.8 | -160 | 151.5 | 1.8 | 112.4 | D48 S49 L51 K57 | D48-R53 WeakPolarHBondContact OD1-CG 3.35Å; D48-R53 IonicContact OD1-CZ 3.58Å; D48-R53 IonicContact OD1-NE 2.8Å; D48-R53 PolarHBondContact OD1-NE 3.31Å; D48-R53 IonicContact OD1-NH2 3.57Å; D48-R53 IonicContact OD2-CZ 3.44Å; D48-R53 IonicContact OD2-NE 3.4Å; D48-R53 PolarHBondContact OD2-NE 3.34Å; D48-R53 IonicContact OD2-NH2 2.67Å; D48-R53 PolarHBondContact OD2-NH2 3.22Å; S49-R53 WeakPolarHBondContact O-CG 3.44Å; S49-R53 PolarHBondContact O-N 3.04Å; L51-R53 PolarHBondContact O-N 3.19Å; R53-K57 PolarHBondContact O-N 3.3Å |
| 54 | F | 97.6 | Very high | 97.2 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 17% | 0.171 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 175.1 | -179.7 | -88.2 | 0 | 0 | 0 | 111.3 | G50 L51 S52 L56 K57 S58 A403 Q406 W407 | G50-F54 WeakPolarHBondContact O-CB 2.92Å; G50-F54 PolarHBondContact O-N 2.77Å; G50-F54 VanDerWaalsContact O-N 3.09Å; L51-F54 PolarHBondContact O-N 3.1Å; S52-F54 VanDerWaalsContact C-N 3.34Å; S52-F54 PolarHBondContact O-N 3.41Å; F54-L56 PolarHBondContact O-N 3.4Å; F54-K57 PolarHBondContact O-N 3.49Å; F54-K57 VanDerWaalsContact O-N 3.11Å; F54-S58 VanDerWaalsContact CE1-OG 3.3Å; F54-S58 WeakPolarHBondContact CE1-OG 3.24Å; F54-S58 VanDerWaalsContact CZ-OG 3.24Å; F54-S58 WeakPolarHBondContact CZ-OG 3.14Å; F54-S58 WeakPolarHBondContact O-CB 3.45Å; F54-S58 PolarHBondContact O-N 3.42Å; F54-S58 PolarHBondContact O-OG 3.5Å; F54-A403 HydrophobicContact CE1-CB 4.31Å; F54-A403 VanDerWaalsContact CE1-O 3.25Å; F54-A403 WeakPolarHBondContact CE1-O 3.5Å; F54-Q406 HydrophobicContact CZ-CB 4.12Å; F54-W407 HydrophobicContact CB-CE3 3.63Å; F54-W407 HydrophobicContact CB-CZ3 3.76Å; F54-W407 HydrophobicContact CD1-CB 3.96Å; F54-W407 HydrophobicContact CD1-CD2 4.45Å; F54-W407 AromaticContact CD1-CE3 3.93Å; F54-W407 HydrophobicContact CD1-CE3 3.93Å; F54-W407 AromaticContact CD2-CE3 3.72Å; F54-W407 HydrophobicContact CD2-CE3 3.72Å; F54-W407 HydrophobicContact CD2-CZ3 4.17Å; F54-W407 HydrophobicContact CE1-CB 3.85Å; F54-W407 HydrophobicContact CE2-CE3 4.37Å; F54-W407 HydrophobicContact CG-CD2 4.38Å; F54-W407 AromaticContact CG-CE3 3.46Å; F54-W407 HydrophobicContact CG-CE3 3.46Å; F54-W407 VanDerWaalsContact CG-CE3 3.46Å; F54-W407 HydrophobicContact CG-CZ3 4.03Å; F54-W407 HydrophobicContact CZ-CB 4.38Å |
| 55 | L | 98 | Very high | 97 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 179.3 | -72.1 | 169.2 | 0 | 0 | 0 | 112.5 | L51 S52 K57 S58 C59 L62 M367 Y400 A403 I404 | L51-L55 HydrophobicContact CD1-CD1 3.89Å; L51-L55 HydrophobicContact CD1-CG 3.99Å; L51-L55 HydrophobicContact CG-CD1 3.87Å; L51-L55 HydrophobicContact CG-CG 4.4Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.36Å; L51-L55 PolarHBondContact O-N 3.1Å; S52-L55 PolarHBondContact O-N 3.09Å; L55-K57 PolarHBondContact O-N 3Å; L55-S58 PolarHBondContact O-N 2.89Å; L55-C59 WeakPolarHBondContact O-CA 3.4Å; L55-C59 WeakPolarHBondContact O-CB 3.5Å; L55-C59 PolarHBondContact O-N 3.26Å; L55-L62 HydrophobicContact CB-CD1 4.2Å; L55-M367 HydrophobicContact CB-CE 4.23Å; L55-M367 HydrophobicContact CD1-CE 3.99Å; L55-Y400 HydrophobicContact CD1-CE2 3.7Å; L55-Y400 HydrophobicContact CD2-CD2 3.84Å; L55-Y400 HydrophobicContact CD2-CE2 3.71Å; L55-Y400 HydrophobicContact CG-CE2 4.32Å; L55-A403 HydrophobicContact CD2-CB 3.96Å; L55-I404 HydrophobicContact CD1-CD1 4.44Å; L55-I404 HydrophobicContact CD2-CD1 3.87Å; L55-I404 HydrophobicContact CD2-CG1 4.28Å |
| 56 | L | 97.6 | Very high | 96.8 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -29.3 | 177.2 | -69.3 | 172.8 | 0 | 0 | 0 | 113.2 | L44 F46 S52 F54 L62 T63 | L44-L56 HydrophobicContact CD1-CD2 3.43Å; L44-L56 VanDerWaalsContact CD1-CD2 3.43Å; F46-L56 HydrophobicContact CE2-CD1 4.22Å; F46-L56 HydrophobicContact CZ-CD1 3.78Å; S52-L56 VanDerWaalsContact O-CG 3.3Å; S52-L56 WeakPolarHBondContact O-CG 3.44Å; S52-L56 PolarHBondContact O-N 3.34Å; F54-L56 PolarHBondContact O-N 3.4Å; L56-L62 HydrophobicContact CD2-CB 4.41Å; L56-T63 HydrophobicContact CD2-CG2 3.81Å |
| 57 | K | 97 | Very high | 96.5 | Very high | 179 Ų | 179 | 55 Ų | 55 | 78% | 0.778 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -83.1 | -40.2 | 177 | -174.2 | -178.8 | 177.7 | -175.5 | 0 | 112.2 | R53 F54 L55 | R53-K57 PolarHBondContact O-N 3.3Å; F54-K57 PolarHBondContact O-N 3.49Å; F54-K57 VanDerWaalsContact O-N 3.11Å; L55-K57 PolarHBondContact O-N 3Å |
| 58 | S | 96.8 | Very high | 96.2 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -93.2 | -14.4 | -170.7 | -58.2 | 0 | 0 | 0 | 0 | 113.8 | F54 L55 P60 | F54-S58 VanDerWaalsContact CE1-OG 3.3Å; F54-S58 WeakPolarHBondContact CE1-OG 3.24Å; F54-S58 VanDerWaalsContact CZ-OG 3.24Å; F54-S58 WeakPolarHBondContact CZ-OG 3.14Å; F54-S58 WeakPolarHBondContact O-CB 3.45Å; F54-S58 PolarHBondContact O-N 3.42Å; F54-S58 PolarHBondContact O-OG 3.5Å; L55-S58 PolarHBondContact O-N 2.89Å; S58-P60 WeakPolarHBondContact O-CD 3.42Å |
| 59 | C | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -122.3 | 79.6 | 176.2 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | L55 L61 L62 E399 | L55-C59 WeakPolarHBondContact O-CA 3.4Å; L55-C59 WeakPolarHBondContact O-CB 3.5Å; L55-C59 PolarHBondContact O-N 3.26Å; C59-L61 PolarHBondContact O-N 3.05Å; C59-L61 VanDerWaalsContact O-N 3.08Å; C59-L62 HydrophobicContact CB-CD1 3.85Å; C59-L62 HydrophobicContact CB-CG 4.1Å; C59-L62 WeakPolarHBondContact O-CB 3.44Å; C59-L62 PolarHBondContact O-N 2.87Å; C59-E399 WeakPolarHBondContact CA-OE1 3.43Å; C59-E399 HydrophobicContact CB-CG 4.25Å; C59-E399 PolarHBondContact SG-OE1 3.08Å | ||
| 60 | P | 96.8 | Very high | 95.4 | Very high | 66 Ų | 66 | 51.1 Ų | 51.1 | 43% | 0.429 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -49 | -30.3 | 177.4 | -30.2 | 34.7 | 0 | 0 | 0 | 115.8 | S58 L62 T63 K64 E399 | S58-P60 WeakPolarHBondContact O-CD 3.42Å; P60-L62 PolarHBondContact O-N 3.04Å; P60-L62 VanDerWaalsContact O-N 3.16Å; P60-T63 PolarHBondContact O-N 3.3Å; P60-T63 PolarHBondContact O-OG1 3.38Å; P60-K64 VanDerWaalsContact O-CB 3.23Å; P60-K64 WeakPolarHBondContact O-CB 3.19Å; P60-K64 PolarHBondContact O-N 3.29Å; P60-E399 WeakPolarHBondContact CD-OE1 3.33Å |
| 61 | L | 96.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -64.9 | -16.2 | 179.2 | -70 | 177.6 | 0 | 0 | 0 | 113.9 | C59 T63 K395 L396 E399 | C59-L61 PolarHBondContact O-N 3.05Å; C59-L61 VanDerWaalsContact O-N 3.08Å; L61-T63 VanDerWaalsContact C-N 3.33Å; L61-K395 HydrophobicContact CD1-CB 3.58Å; L61-L396 HydrophobicContact CB-CD1 3.94Å; L61-L396 HydrophobicContact CD1-CB 4.3Å; L61-E399 WeakPolarHBondContact CD1-OE2 3.4Å; L61-E399 WeakPolarHBondContact CG-OE2 3.47Å; L61-E399 PolarHBondContact N-OE1 3.45Å |
| 62 | L | 97.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -72.6 | -25.5 | 172.2 | -65.6 | 175 | 0 | 0 | 0 | 113 | P42 L44 L55 L56 C59 P60 M338 M367 V369 L396 | P42-L62 VanDerWaalsContact CG-O 3.25Å; P42-L62 WeakPolarHBondContact CG-O 3.46Å; L44-L62 HydrophobicContact CD1-CB 4.2Å; L44-L62 WeakPolarHBondContact CD1-O 3.45Å; L44-L62 HydrophobicContact CD2-CD2 4.18Å; L55-L62 HydrophobicContact CB-CD1 4.2Å; L56-L62 HydrophobicContact CD2-CB 4.41Å; C59-L62 HydrophobicContact CB-CD1 3.85Å; C59-L62 HydrophobicContact CB-CG 4.1Å; C59-L62 WeakPolarHBondContact O-CB 3.44Å; C59-L62 PolarHBondContact O-N 2.87Å; P60-L62 PolarHBondContact O-N 3.04Å; P60-L62 VanDerWaalsContact O-N 3.16Å; L62-M338 HydrophobicContact CD2-SD 4.26Å; L62-M367 HydrophobicContact CD1-CE 4.43Å; L62-M367 HydrophobicContact CD1-SD 3.81Å; L62-M367 HydrophobicContact CD2-SD 4.05Å; L62-V369 HydrophobicContact CD2-CG1 4.29Å; L62-V369 HydrophobicContact CD2-CG2 3.69Å; L62-L396 HydrophobicContact CD2-CD1 3.85Å; L62-L396 HydrophobicContact CG-CD1 4.29Å |
| 63 | T | 96.9 | Very high | 94 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -16.8 | -173.8 | 57 | 0 | 0 | 0 | 0 | 113 | P41 L56 P60 L61 | P41-T63 WeakPolarHBondContact CB-O 3.34Å; P41-T63 WeakPolarHBondContact CG-O 3.48Å; L56-T63 HydrophobicContact CD2-CG2 3.81Å; P60-T63 PolarHBondContact O-N 3.3Å; P60-T63 PolarHBondContact O-OG1 3.38Å; L61-T63 VanDerWaalsContact C-N 3.33Å |
| 64 | K | 95.9 | Very high | 93.6 | Very high | 133 Ų | 133 | 46.6 Ų | 46.6 | 58% | 0.578 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -77.3 | 144.5 | 175.5 | -171 | 175 | 179 | 179.8 | 0 | 110.9 | P60 Y66 | P60-K64 VanDerWaalsContact O-CB 3.23Å; P60-K64 WeakPolarHBondContact O-CB 3.19Å; P60-K64 PolarHBondContact O-N 3.29Å; K64-Y66 PolarHBondContact O-N 3.45Å |
| 65 | E | 94.3 | Very high | 93.3 | Very high | 80 Ų | 80 | 45.1 Ų | 45.1 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -57.4 | 127.8 | 171.8 | -176.1 | 174.7 | -160.5 | 0 | 0 | 112 | T39 I67 | T39-E65 WeakPolarHBondContact CB-OE1 3.31Å; T39-E65 PolarHBondContact OG1-OE1 3.47Å; E65-I67 HydrophobicContact CG-CG1 4.06Å |
| 66 | Y | 93.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -81.5 | 122.9 | 168.7 | 166.8 | -121.4 | 0 | 0 | 0 | 109.7 | A40 K64 P68 Q79 P371 H373 F379 F380 E381 W392 | A40-Y66 PolarHBondContact O-N 3.36Å; K64-Y66 PolarHBondContact O-N 3.45Å; Y66-P68 HydrophobicContact CE1-CB 3.98Å; Y66-P68 HydrophobicContact CE1-CG 4.14Å; Y66-P68 VanDerWaalsContact O-CD 3.31Å; Y66-P68 WeakPolarHBondContact O-CD 3.47Å; Y66-Q79 PolarHBondContact OH-NE2 2.64Å; Y66-P371 HydrophobicContact CD1-CB 4.36Å; Y66-H373 HydrophobicContact CD1-CB 4.23Å; Y66-H373 HydrophobicContact CE1-CB 3.76Å; Y66-H373 WeakPolarHBondContact CE1-O 3.37Å; Y66-F379 VanDerWaalsContact OH-CA 3.28Å; Y66-F379 WeakPolarHBondContact OH-CA 3.44Å; Y66-F380 PolarHBondContact OH-N 3.25Å; Y66-F380 PolarHBondContact OH-O 2.82Å; Y66-E381 HydrophobicContact CD2-CG 4.17Å; Y66-E381 HydrophobicContact CE2-CG 3.75Å; Y66-W392 HydrophobicContact CD2-CB 3.58Å; Y66-W392 AromaticContact CD2-CD1 3.63Å; Y66-W392 HydrophobicContact CD2-CD2 4.18Å; Y66-W392 AromaticContact CD2-CG 3.51Å; Y66-W392 HydrophobicContact CD2-CG 3.51Å; Y66-W392 HydrophobicContact CE2-CB 3.53Å; Y66-W392 AromaticContact CE2-CG 3.98Å; Y66-W392 HydrophobicContact CE2-CG 3.98Å; Y66-W392 HydrophobicContact CG-CG 4.27Å |
| 67 | I | 92.3 | Very high | 92.4 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | trans | -114.1 | 95.9 | -176.4 | -55.4 | 174.7 | 0 | 0 | 0 | 109.3 | E65 | E65-I67 HydrophobicContact CG-CG1 4.06Š| ||
| 68 | P | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -76.4 | 164 | 172.1 | 33.1 | -36.1 | 0 | 0 | 0 | 111.8 | T39 Y66 L70 G73 K74 H373 F380 | T39-P68 HydrophobicContact CG2-CG 4.3Å; Y66-P68 HydrophobicContact CE1-CB 3.98Å; Y66-P68 HydrophobicContact CE1-CG 4.14Å; Y66-P68 VanDerWaalsContact O-CD 3.31Å; Y66-P68 WeakPolarHBondContact O-CD 3.47Å; P68-L70 PolarHBondContact O-N 3.47Å; P68-G73 WeakPolarHBondContact CB-O 3.44Å; P68-K74 HydrophobicContact CG-CG 4.05Å; P68-H373 HydrophobicContact CG-CB 4.25Å; P68-F380 WeakPolarHBondContact CA-O 3.25Å | ||
| 69 | P | 89.7 | Confident | 91.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -50.5 | 128.2 | 174.1 | -31.6 | 36.6 | 0 | 0 | 0 | 113.1 | I71 W72 G73 F380 S383 P387 | P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 3.34Å; P69-W72 HydrophobicContact CB-CD2 4.19Å; P69-W72 HydrophobicContact CB-CH2 4.18Å; P69-W72 HydrophobicContact CB-CZ2 3.69Å; P69-W72 HydrophobicContact CG-CH2 3.71Å; P69-W72 HydrophobicContact CG-CZ2 3.59Å; P69-W72 HydrophobicContact CG-CZ3 4.34Å; P69-W72 PolarHBondContact O-N 2.92Å; P69-G73 VanDerWaalsContact O-CA 3.27Å; P69-G73 WeakPolarHBondContact O-CA 3.5Å; P69-G73 PolarHBondContact O-N 3.12Å; P69-F380 WeakPolarHBondContact CD-O 3.44Å; P69-F380 HydrophobicContact CG-CB 4.41Å; P69-S383 WeakPolarHBondContact CA-O 3.29Å; P69-P387 HydrophobicContact CG-CB 4.41Å | ||
| 70 | L | 85.9 | Confident | 91.2 | Very high | 89 Ų | 89 | 38 Ų | 38 | 47% | 0.466 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -36.1 | -164.7 | -65.7 | 179.7 | 0 | 0 | 0 | 114.5 | L35 P68 V384 | L35-L70 WeakPolarHBondContact CD2-O 3.38Å; P68-L70 PolarHBondContact O-N 3.47Å; L70-V384 HydrophobicContact CB-CG1 4.42Å; L70-V384 HydrophobicContact CD1-CG2 4.15Å |
| 71 | I | 85.6 | Confident | 90.5 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 34% | 0.338 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -32 | -172.2 | -71.4 | 177.9 | 0 | 0 | 0 | 112.6 | L33 L35 P69 V384 L385 | L33-I71 WeakPolarHBondContact CB-O 3.42Å; L33-I71 HydrophobicContact CD1-CG2 4.19Å; L33-I71 WeakPolarHBondContact CD1-O 3.41Å; L33-I71 WeakPolarHBondContact CD2-O 3.41Å; L35-I71 WeakPolarHBondContact CD2-O 3.27Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 3.34Å; I71-V384 HydrophobicContact CD1-CG1 3.62Å; I71-V384 HydrophobicContact CG1-CG1 3.87Å; I71-V384 PolarHBondContact N-O 3.2Å; I71-L385 HydrophobicContact CB-CD2 4.23Å; I71-L385 HydrophobicContact CD1-CD2 3.53Å; I71-L385 HydrophobicContact CD1-CG 3.93Å; I71-L385 HydrophobicContact CG1-CD2 4.39Å; I71-L385 HydrophobicContact CG2-CD2 4.33Å |
| 72 | W | 86.9 | Confident | 89.8 | Confident | 29 Ų | 29 | 38.4 Ų | 38.4 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | -15.6 | -169.6 | 58.1 | -99.9 | 0 | 0 | 0 | 114.2 | L33 P69 K74 S75 I78 L82 F380 L385 P387 | L33-W72 HydrophobicContact CD2-CB 4.14Å; P69-W72 HydrophobicContact CB-CD2 4.19Å; P69-W72 HydrophobicContact CB-CH2 4.18Å; P69-W72 HydrophobicContact CB-CZ2 3.69Å; P69-W72 HydrophobicContact CG-CH2 3.71Å; P69-W72 HydrophobicContact CG-CZ2 3.59Å; P69-W72 HydrophobicContact CG-CZ3 4.34Å; P69-W72 PolarHBondContact O-N 2.92Å; W72-K74 PolarHBondContact O-N 3.11Å; W72-S75 WeakPolarHBondContact O-CB 3.3Å; W72-S75 PolarHBondContact O-N 3.19Å; W72-S75 VanDerWaalsContact O-N 3.16Å; W72-I78 HydrophobicContact CB-CD1 4.04Å; W72-I78 HydrophobicContact CB-CG2 4.08Å; W72-I78 HydrophobicContact CD2-CG2 4.28Å; W72-I78 HydrophobicContact CE3-CG2 3.79Å; W72-I78 HydrophobicContact CG-CG2 4.43Å; W72-L82 HydrophobicContact CE3-CD2 4.29Å; W72-L82 HydrophobicContact CH2-CD2 3.29Å; W72-L82 HydrophobicContact CZ2-CD2 3.84Å; W72-L82 HydrophobicContact CZ3-CD2 3.55Å; W72-F380 HydrophobicContact CH2-CB 3.94Å; W72-F380 HydrophobicContact CH2-CD2 4.04Å; W72-F380 HydrophobicContact CH2-CG 4.07Å; W72-F380 HydrophobicContact CZ3-CB 4.31Å; W72-F380 HydrophobicContact CZ3-CD2 4.01Å; W72-F380 HydrophobicContact CZ3-CG 4.43Å; W72-L385 PolarHBondContact NE1-O 2.79Å; W72-P387 HydrophobicContact CH2-CB 4.05Å; W72-P387 HydrophobicContact CH2-CG 3.96Å; W72-P387 HydrophobicContact CZ2-CB 4.12Å; W72-P387 HydrophobicContact CZ2-CG 3.83Å |
| 73 | G | 87.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -12.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P68 P69 S75 Q79 | P68-G73 WeakPolarHBondContact CB-O 3.44Å; P69-G73 VanDerWaalsContact O-CA 3.27Å; P69-G73 WeakPolarHBondContact O-CA 3.5Å; P69-G73 PolarHBondContact O-N 3.12Å; G73-S75 VanDerWaalsContact C-N 3.27Å; G73-Q79 WeakPolarHBondContact O-CG 3.46Å; G73-Q79 PolarHBondContact O-NE2 3.35Å |
| 74 | K | 90.1 | Very high | 88.2 | Confident | 27 Ų | 27 | 39 Ų | 39 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.5 | 172.8 | -62 | 178.2 | 178.1 | -171.9 | 0 | 113.6 | N34 L35 S37 P68 W72 H373 | N34-K74 HydrophobicContact CB-CB 4.33Å; N34-K74 VanDerWaalsContact CB-O 3.29Å; N34-K74 WeakPolarHBondContact CB-O 3.5Å; N34-K74 PolarHBondContact ND2-O 2.89Å; L35-K74 PolarHBondContact O-NZ 2.96Å; S37-K74 WeakPolarHBondContact O-CD 3.29Å; S37-K74 WeakPolarHBondContact O-CE 3.4Å; S37-K74 PolarHBondContact O-NZ 3.37Å; P68-K74 HydrophobicContact CG-CG 4.05Å; W72-K74 PolarHBondContact O-N 3.11Å; K74-H373 PolarHBondContact O-ND1 2.81Å |
| 75 | S | 90.4 | Very high | 87.2 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | trans | -104.7 | 107.8 | 177.1 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | C32 W72 G73 H77 I78 Q79 | C32-S75 WeakPolarHBondContact O-CB 3.25Å; C32-S75 PolarHBondContact O-OG 3.11Å; W72-S75 WeakPolarHBondContact O-CB 3.3Å; W72-S75 PolarHBondContact O-N 3.19Å; W72-S75 VanDerWaalsContact O-N 3.16Å; G73-S75 VanDerWaalsContact C-N 3.27Å; S75-H77 PolarHBondContact O-N 3.19Å; S75-I78 PolarHBondContact O-N 3.14Å; S75-Q79 PolarHBondContact O-N 2.82Å | ||
| 76 | G | 88.1 | Confident | 86.2 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -32 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T80 D344 | G76-T80 VanDerWaalsContact O-CB 3.26Å; G76-T80 WeakPolarHBondContact O-CB 3.34Å; G76-T80 PolarHBondContact O-N 3Å; G76-T80 PolarHBondContact O-OG1 2.94Å; G76-D344 WeakPolarHBondContact CA-OD2 3.48Å; G76-D344 PolarHBondContact N-OD2 3.24Å |
| 77 | H | 89.1 | Confident | 85.5 | Confident | 50 Ų | 50 | 42.7 Ų | 42.7 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -46.2 | 172.3 | -72.4 | -47.3 | 0 | 0 | 0 | 112.9 | S75 T80 A81 Q251 Y256 P346 | S75-H77 PolarHBondContact O-N 3.19Å; H77-T80 PolarHBondContact O-N 2.68Å; H77-A81 VanDerWaalsContact O-CB 3.25Å; H77-A81 WeakPolarHBondContact O-CB 3.24Å; H77-A81 PolarHBondContact O-N 2.62Å; H77-Q251 VanDerWaalsContact CE1-C 3.47Å; H77-Q251 PolarHBondContact CE1-O 3.1Å; H77-Q251 PolarHBondContact NE2-OE1 2.72Å; H77-Q251 VanDerWaalsContact NE2-OE1 3.16Å; H77-Y256 AromaticContact ND1-CE2 3.56Å; H77-Y256 AromaticContact ND1-CZ 3.82Å; H77-Y256 PolarHBondContact ND1-OH 2.79Å; H77-Y256 VanDerWaalsContact ND1-OH 3.16Å; H77-Y256 PolarHBondContact O-OH 2.81Å; H77-P346 VanDerWaalsContact CE1-CB 3.47Å; H77-P346 WeakPolarHBondContact CE1-CB 3.5Å |
| 78 | I | 86.5 | Confident | 85.1 | Confident | 53 Ų | 53 | 38.9 Ų | 38.9 | 27% | 0.272 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.6 | -44 | -178.8 | -59 | 174.8 | 0 | 0 | 0 | 109.9 | L33 W72 S75 T80 A81 L82 | L33-I78 HydrophobicContact CD2-CD1 3.53Å; W72-I78 HydrophobicContact CB-CD1 4.04Å; W72-I78 HydrophobicContact CB-CG2 4.08Å; W72-I78 HydrophobicContact CD2-CG2 4.28Å; W72-I78 HydrophobicContact CE3-CG2 3.79Å; W72-I78 HydrophobicContact CG-CG2 4.43Å; S75-I78 PolarHBondContact O-N 3.14Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 3.18Å; I78-A81 PolarHBondContact O-N 3.02Å; I78-L82 WeakPolarHBondContact O-CB 3.15Å; I78-L82 PolarHBondContact O-N 3.43Å |
| 79 | Q | 89.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -51.2 | -51.3 | 172.1 | -75.2 | -92.9 | 5 | 0 | 0 | 111 | Y66 G73 S75 Y83 G378 F379 | Y66-Q79 PolarHBondContact OH-NE2 2.64Å; G73-Q79 WeakPolarHBondContact O-CG 3.46Å; G73-Q79 PolarHBondContact O-NE2 3.35Å; S75-Q79 PolarHBondContact O-N 2.82Å; Q79-Y83 VanDerWaalsContact O-CB 3.28Å; Q79-Y83 WeakPolarHBondContact O-CB 3.19Å; Q79-Y83 PolarHBondContact O-N 3.33Å; Q79-G378 VanDerWaalsContact OE1-C 3.24Å; Q79-F379 VanDerWaalsContact OE1-N 3.1Å |
| 80 | T | 88.3 | Confident | 84.2 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -45.4 | -179.4 | -56 | 0 | 0 | 0 | 0 | 112.6 | G76 H77 I78 G84 Y256 P346 H376 | G76-T80 VanDerWaalsContact O-CB 3.26Å; G76-T80 WeakPolarHBondContact O-CB 3.34Å; G76-T80 PolarHBondContact O-N 3Å; G76-T80 PolarHBondContact O-OG1 2.94Å; H77-T80 PolarHBondContact O-N 2.68Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 3.18Å; T80-G84 PolarHBondContact O-N 3.32Å; T80-Y256 HydrophobicContact CG2-CD1 4.46Å; T80-Y256 HydrophobicContact CG2-CE1 3.81Å; T80-P346 HydrophobicContact CG2-CG 4.04Å; T80-P346 VanDerWaalsContact OG1-CD 3.27Å; T80-P346 WeakPolarHBondContact OG1-CD 3.47Å; T80-P346 VanDerWaalsContact OG1-CG 3.26Å; T80-P346 WeakPolarHBondContact OG1-CG 3.27Å; T80-H376 HydrophobicContact CG2-CB 3.81Å; T80-H376 PolarHBondContact OG1-N 3.38Å |
| 81 | A | 83.7 | Confident | 84.2 | Confident | 52 Ų | 52 | 48.1 Ų | 48.1 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.6 | -40.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H77 I78 G84 K85 | H77-A81 VanDerWaalsContact O-CB 3.25Å; H77-A81 WeakPolarHBondContact O-CB 3.24Å; H77-A81 PolarHBondContact O-N 2.62Å; I78-A81 PolarHBondContact O-N 3.02Å; A81-G84 PolarHBondContact O-N 2.61Å; A81-K85 WeakPolarHBondContact O-CB 3.39Å; A81-K85 PolarHBondContact O-N 3.19Å |
| 82 | L | 82 | Confident | 84.5 | Confident | 41 Ų | 41 | 46.6 Ų | 46.6 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 176.4 | -168.9 | 69.2 | 0 | 0 | 0 | 110.4 | W72 I78 K85 M86 F380 | W72-L82 HydrophobicContact CE3-CD2 4.29Å; W72-L82 HydrophobicContact CH2-CD2 3.29Å; W72-L82 HydrophobicContact CZ2-CD2 3.84Å; W72-L82 HydrophobicContact CZ3-CD2 3.55Å; I78-L82 WeakPolarHBondContact O-CB 3.15Å; I78-L82 PolarHBondContact O-N 3.43Å; L82-K85 PolarHBondContact O-N 3.22Å; L82-M86 HydrophobicContact CD1-CB 4.46Å; L82-M86 HydrophobicContact CD1-CG 4.12Å; L82-M86 HydrophobicContact CD1-SD 3.37Å; L82-M86 WeakPolarHBondContact CD1-SD 3.23Å; L82-M86 HydrophobicContact CG-SD 4.33Å; L82-M86 WeakPolarHBondContact O-CA 3.47Å; L82-M86 WeakPolarHBondContact O-CB 3.08Å; L82-M86 PolarHBondContact O-N 2.94Å; L82-F380 HydrophobicContact CB-CE2 4.18Å; L82-F380 HydrophobicContact CD2-CD2 4.28Å; L82-F380 HydrophobicContact CD2-CE2 4.07Å; L82-F380 HydrophobicContact CD2-CZ 4.45Å; L82-F380 HydrophobicContact CG-CE2 4.27Å; L82-F380 HydrophobicContact CG-CZ 4.5Å |
| 83 | Y | 82.8 | Confident | 84.7 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.6 | -50.5 | 169.9 | 163.4 | -99.6 | 0 | 0 | 0 | 111.6 | Q79 K85 G87 Y142 L377 | Q79-Y83 VanDerWaalsContact O-CB 3.28Å; Q79-Y83 WeakPolarHBondContact O-CB 3.19Å; Q79-Y83 PolarHBondContact O-N 3.33Å; Y83-K85 VanDerWaalsContact C-N 3.29Å; Y83-K85 PolarHBondContact O-N 3.47Å; Y83-G87 WeakPolarHBondContact O-CA 3.35Å; Y83-G87 PolarHBondContact O-N 3.48Å; Y83-Y142 AromaticContact CE2-CD1 3.95Å; Y83-Y142 HydrophobicContact CE2-CD1 3.95Å; Y83-Y142 AromaticContact CE2-CG 3.84Å; Y83-Y142 HydrophobicContact CE2-CG 3.84Å; Y83-Y142 VanDerWaalsContact OH-CD1 3.31Å; Y83-Y142 WeakPolarHBondContact OH-CD1 3.32Å; Y83-Y142 WeakPolarHBondContact OH-CE1 3.21Å; Y83-L377 HydrophobicContact CD1-CB 4.21Å; Y83-L377 HydrophobicContact CD2-CB 4.19Å; Y83-L377 HydrophobicContact CE1-CB 3.92Å; Y83-L377 HydrophobicContact CE1-CD1 4.08Å; Y83-L377 HydrophobicContact CE2-CB 3.86Å; Y83-L377 HydrophobicContact CE2-CD1 4.48Å; Y83-L377 HydrophobicContact CG-CB 4.35Å; Y83-L377 VanDerWaalsContact OH-CD1 3.31Å; Y83-L377 WeakPolarHBondContact OH-CD1 3.43Å |
| 84 | G | 78.2 | Confident | 85.1 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 65% | 0.649 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.1 | -34.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T80 A81 | T80-G84 PolarHBondContact O-N 3.32Å; A81-G84 PolarHBondContact O-N 2.61Å |
| 85 | K | 73.6 | Confident | 85.3 | Confident | 187 Ų | 187 | 61 Ų | 61 | 81% | 0.813 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -88.2 | -45.6 | -178.1 | -174.7 | 178.7 | -179 | -178.5 | 0 | 113.4 | A81 L82 Y83 | A81-K85 WeakPolarHBondContact O-CB 3.39Å; A81-K85 PolarHBondContact O-N 3.19Å; L82-K85 PolarHBondContact O-N 3.22Å; Y83-K85 VanDerWaalsContact C-N 3.29Å; Y83-K85 PolarHBondContact O-N 3.47Å |
| 86 | M | 75 | Confident | 85.5 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -108.2 | -7 | -170.5 | -69.4 | -176.8 | 65.1 | 0 | 0 | 113.5 | L82 R88 V89 Q141 | L82-M86 HydrophobicContact CD1-CB 4.46Å; L82-M86 HydrophobicContact CD1-CG 4.12Å; L82-M86 HydrophobicContact CD1-SD 3.37Å; L82-M86 WeakPolarHBondContact CD1-SD 3.23Å; L82-M86 HydrophobicContact CG-SD 4.33Å; L82-M86 WeakPolarHBondContact O-CA 3.47Å; L82-M86 WeakPolarHBondContact O-CB 3.08Å; L82-M86 PolarHBondContact O-N 2.94Å; M86-R88 PolarHBondContact O-N 2.86Å; M86-V89 HydrophobicContact CE-CG1 4.29Å; M86-Q141 PolarHBondContact O-OE1 2.93Å |
| 87 | G | 79.1 | Confident | 86 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | trans | 57.4 | -101.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y83 F380 | Y83-G87 WeakPolarHBondContact O-CA 3.35Å; Y83-G87 PolarHBondContact O-N 3.48Å; G87-F380 WeakPolarHBondContact O-CZ 3.46Å | ||
| 88 | R | 82.1 | Confident | 86.4 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 1% | 0.011 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -130.2 | 135.1 | 176.2 | -65.1 | -65.3 | -173.3 | -133.1 | 3 | 109.7 | M86 Q141 T145 L377 G378 T391 M393 D394 | M86-R88 PolarHBondContact O-N 2.86Å; R88-Q141 HydrophobicContact CB-CB 4.49Å; R88-Q141 VanDerWaalsContact N-OE1 3.16Å; R88-Q141 PolarHBondContact O-OE1 3.41Å; R88-T145 HydrophobicContact CB-CG2 4.5Å; R88-T145 WeakPolarHBondContact CB-OG1 3.37Å; R88-T145 HydrophobicContact CG-CG2 4.24Å; R88-L377 PolarHBondContact NH1-O 3.33Å; R88-L377 VanDerWaalsContact NH1-O 3.14Å; R88-L377 PolarHBondContact NH2-O 3.01Å; R88-G378 PolarHBondContact NH1-O 2.97Å; R88-T391 VanDerWaalsContact NH1-CG2 3.31Å; R88-T391 PolarHBondContact NH2-OG1 3.44Å; R88-T391 VanDerWaalsContact NH2-OG1 3.12Å; R88-M393 VanDerWaalsContact NH2-CE 3.3Å; R88-D394 IonicContact NE-OD2 2.73Å; R88-D394 IonicContact NH2-OD1 2.76Å |
| 89 | V | 79.2 | Confident | 87 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 26% | 0.255 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 138.8 | 175.6 | -121.9 | 0 | 0 | 0 | 0 | 110 | M86 S91 P387 P389 | M86-V89 HydrophobicContact CE-CG1 4.29Å; V89-S91 PolarHBondContact O-N 3.4Å; V89-P387 HydrophobicContact CG2-CB 4.29Å; V89-P387 HydrophobicContact CG2-CG 3.74Å; V89-P389 WeakPolarHBondContact O-CA 3.16Å; V89-P389 WeakPolarHBondContact O-CB 3.41Å |
| 90 | R | 84 | Confident | 87.3 | Confident | 223 Ų | 223 | 72.4 Ų | 72.4 | 84% | 0.842 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 36.9 | 177.4 | -56.8 | 178.8 | 177.3 | 167.8 | -0.6 | 113.3 | P389 | R90-P389 HydrophobicContact CB-CG 4.3Š|
| 91 | S | 86 | Confident | 87.8 | Confident | 18 Ų | 18 | 73.4 Ų | 73.4 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | trans | -53.6 | 129.2 | 179.6 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | V89 Q141 | V89-S91 PolarHBondContact O-N 3.4Å; S91-Q141 WeakPolarHBondContact OG-CA 3.36Å; S91-Q141 PolarHBondContact OG-O 3.25Å | ||
| 92 | P | 91.3 | Very high | 88.5 | Confident | 34 Ų | 34 | 76.3 Ų | 76.3 | 22% | 0.221 | 38% | 0.378 | C | S | . | . | trans | -69.9 | 172.3 | 174.5 | 29.1 | -32.7 | 0 | 0 | 0 | 111.6 | R144 D148 | P92-R144 WeakPolarHBondContact O-CB 3.4Å; P92-R144 WeakPolarHBondContact O-CD 3.44Å; P92-R144 PolarHBondContact O-NH1 2.99Å; P92-D148 HydrophobicContact CB-CB 3.97Å; P92-D148 HydrophobicContact CG-CB 3.33Å | ||
| 93 | H | 92.6 | Very high | 89.2 | Confident | 155 Ų | 155 | 75.6 Ų | 75.6 | 72% | 0.718 | 37% | 0.374 | S | S | * | . | trans | -123.8 | 76.3 | 173 | -66.1 | 79.3 | 0 | 0 | 0 | 108.5 | Y95 R144 | H93-Y95 PolarHBondContact O-N 2.56Å; H93-R144 PolarHBondContact CD2-NH1 3.33Å; H93-R144 PolarHBondContact CE1-NH1 3.41Å; H93-R144 PolarHBondContact NE2-NH1 2.95Å | ||
| 94 | P | 94.5 | Very high | 89.7 | Confident | 22 Ų | 22 | 80.7 Ų | 80.7 | 14% | 0.143 | 41% | 0.414 | C | S | . | . | trans | -60.1 | 139.1 | 176.6 | 27 | -34.1 | 0 | 0 | 0 | 109.7 | G96 F114 R144 V147 | P94-G96 PolarHBondContact O-N 2.68Å; P94-F114 HydrophobicContact CB-CD1 3.88Å; P94-F114 HydrophobicContact CB-CE1 4.03Å; P94-F114 HydrophobicContact CG-CD1 4.23Å; P94-F114 HydrophobicContact CG-CE1 3.93Å; P94-R144 HydrophobicContact CG-CB 4.21Å; P94-R144 HydrophobicContact CG-CG 4.29Å; P94-V147 HydrophobicContact CB-CG1 4.13Å; P94-V147 HydrophobicContact CG-CB 4.38Å; P94-V147 HydrophobicContact CG-CG1 4.01Å | ||
| 95 | Y | 94.4 | Very high | 90.4 | Very high | 182 Ų | 182 | 80.1 Ų | 80.1 | 71% | 0.714 | 40% | 0.396 | S | S | * | . | trans | -81.3 | 114.7 | 178.6 | -178.6 | -102.9 | 0 | 0 | 0 | 109.6 | H93 H97 | H93-Y95 PolarHBondContact O-N 2.56Å; Y95-H97 AromaticContact CE1-CE1 3.51Å; Y95-H97 AromaticContact CE1-NE2 3.68Å | ||
| 96 | G | 95.8 | Very high | 91.4 | Very high | 25 Ų | 25 | 72.8 Ų | 72.8 | 26% | 0.258 | 37% | 0.373 | S | S | . | . | trans | -119 | 146.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P94 L113 F114 | P94-G96 PolarHBondContact O-N 2.68Å; G96-L113 CarbonylContact C-O 3.59Å; G96-L113 VanDerWaalsContact CA-O 3.31Å; G96-L113 WeakPolarHBondContact CA-O 3.33Å; G96-F114 VanDerWaalsContact CA-CD1 3.4Å | ||
| 97 | H | 97.4 | Very high | 92.3 | Very high | 82 Ų | 82 | 68.4 Ų | 68.4 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 112.5 | 173.3 | -64.2 | -77.9 | 0 | 0 | 0 | 110.2 | Y95 K99 L113 | Y95-H97 AromaticContact CE1-CE1 3.51Å; Y95-H97 AromaticContact CE1-NE2 3.68Å; H97-K99 PolarHBondContact O-N 3.41Å; H97-L113 PolarHBondContact N-O 2.65Å; H97-L113 PolarHBondContact O-N 3.31Å |
| 98 | R | 98.2 | Very high | 93.2 | Very high | 69 Ų | 69 | 69.3 Ų | 69.3 | 26% | 0.26 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 125.1 | 174.4 | -172.2 | 155.2 | -66.7 | 161 | 5.5 | 111 | F100 D112 E139 | R98-F100 HydrophobicContact CB-CE2 4.24Å; R98-F100 HydrophobicContact CG-CD2 4.41Å; R98-F100 HydrophobicContact CG-CE1 4.4Å; R98-F100 HydrophobicContact CG-CE2 3.76Å; R98-F100 HydrophobicContact CG-CZ 3.75Å; R98-D112 WeakPolarHBondContact CA-OD1 3.47Å; R98-D112 WeakPolarHBondContact CB-OD1 3.33Å; R98-D112 VanDerWaalsContact CG-OD1 3.25Å; R98-D112 WeakPolarHBondContact CG-OD1 3.35Å; R98-D112 IonicContact CZ-OD1 3.85Å; R98-D112 IonicContact CZ-OD2 3.32Å; R98-D112 IonicContact NE-OD1 2.94Å; R98-D112 PolarHBondContact NE-OD1 2.87Å; R98-D112 IonicContact NE-OD2 2.65Å; R98-D112 IonicContact NH2-OD1 2.68Å; R98-D112 IonicContact NH2-OD2 3.78Å; R98-D112 PolarHBondContact NH2-OD2 3.29Å; R98-E139 IonicContact CZ-OE1 3.6Å; R98-E139 IonicContact NH1-OE1 2.82Å; R98-E139 PolarHBondContact NH1-OE1 3.29Å; R98-E139 IonicContact NH2-OE1 3.24Å; R98-E139 PolarHBondContact NH2-OE1 2.68Å |
| 99 | K | 98.2 | Very high | 93.9 | Very high | 61 Ų | 61 | 69.2 Ų | 69.2 | 27% | 0.265 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 146.6 | 174.8 | -58.6 | -58.4 | -177.3 | 178.5 | 0 | 109.2 | H97 T110 F111 L113 | H97-K99 PolarHBondContact O-N 3.41Å; K99-T110 VanDerWaalsContact O-CA 3.25Å; K99-T110 WeakPolarHBondContact O-CA 3.27Å; K99-T110 WeakPolarHBondContact O-CB 3.42Å; K99-F111 HydrophobicContact CB-CD1 3.82Å; K99-F111 HydrophobicContact CB-CD2 4.35Å; K99-F111 HydrophobicContact CB-CE1 3.33Å; K99-F111 HydrophobicContact CB-CE2 3.94Å; K99-F111 HydrophobicContact CB-CG 4.3Å; K99-F111 HydrophobicContact CB-CZ 3.4Å; K99-F111 HydrophobicContact CG-CD2 4.45Å; K99-F111 HydrophobicContact CG-CE1 4.01Å; K99-F111 HydrophobicContact CG-CE2 3.76Å; K99-F111 HydrophobicContact CG-CZ 3.49Å; K99-F111 VanDerWaalsContact CG-CZ 3.49Å; K99-F111 PolarHBondContact N-O 3.13Å; K99-F111 PolarHBondContact O-N 3.35Å; K99-L113 HydrophobicContact CG-CB 4.43Å |
| 100 | F | 98.2 | Very high | 94.9 | Very high | 120 Ų | 120 | 67.5 Ų | 67.5 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.6 | -178.7 | -60.6 | -98.5 | 0 | 0 | 0 | 108.1 | R98 T108 S109 T110 I169 | R98-F100 HydrophobicContact CB-CE2 4.24Å; R98-F100 HydrophobicContact CG-CD2 4.41Å; R98-F100 HydrophobicContact CG-CE1 4.4Å; R98-F100 HydrophobicContact CG-CE2 3.76Å; R98-F100 HydrophobicContact CG-CZ 3.75Å; F100-T108 HydrophobicContact CB-CG2 4.23Å; F100-T108 HydrophobicContact CD1-CG2 3.85Å; F100-S109 WeakPolarHBondContact CA-O 3.16Å; F100-T110 HydrophobicContact CD1-CG2 3.46Å; F100-T110 VanDerWaalsContact CD1-CG2 3.46Å; F100-T110 HydrophobicContact CE1-CG2 3.74Å; F100-T110 HydrophobicContact CG-CG2 4.24Å; F100-I169 HydrophobicContact CE1-CD1 4.09Å |
| 101 | I | 98.1 | Very high | 95.6 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.7 | 176.2 | -56.7 | 175.5 | 0 | 0 | 0 | 107.9 | M103 S109 F111 A187 Y191 | I101-M103 HydrophobicContact CG2-SD 4.26Å; I101-M103 PolarHBondContact O-N 3.05Å; I101-S109 PolarHBondContact N-O 2.87Å; I101-S109 PolarHBondContact O-N 3.3Å; I101-F111 HydrophobicContact CD1-CD1 4.09Å; I101-F111 HydrophobicContact CD1-CE1 3.75Å; I101-F111 HydrophobicContact CG1-CE1 4.15Å; I101-A187 HydrophobicContact CD1-CB 4.08Å; I101-A187 WeakPolarHBondContact CD1-O 3.36Å; I101-A187 HydrophobicContact CG2-CB 4.28Å; I101-Y191 HydrophobicContact CD1-CD2 4.38Å; I101-Y191 HydrophobicContact CD1-CG 4.46Å; I101-Y191 HydrophobicContact CG1-CD2 4.41Å |
| 102 | T | 97.8 | Very high | 96.2 | Very high | 113 Ų | 113 | 56.5 Ų | 56.5 | 69% | 0.693 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 117.5 | 170.6 | -53.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 103 | M | 96.9 | Very high | 96.5 | Very high | 26 Ų | 26 | 55 Ų | 55 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | trans | -79.7 | 163.1 | 177.3 | -56 | -61.2 | -74.2 | 0 | 0 | 110.6 | I101 D105 G106 A107 W183 A187 | I101-M103 HydrophobicContact CG2-SD 4.26Å; I101-M103 PolarHBondContact O-N 3.05Å; M103-D105 VanDerWaalsContact CB-OD1 3.3Å; M103-D105 WeakPolarHBondContact CB-OD1 3.41Å; M103-D105 PolarHBondContact O-N 2.88Å; M103-G106 PolarHBondContact O-N 3.43Å; M103-A107 HydrophobicContact CB-CB 4.1Å; M103-A107 WeakPolarHBondContact CB-O 3.06Å; M103-A107 HydrophobicContact CG-CB 4.14Å; M103-A107 WeakPolarHBondContact CG-O 3.35Å; M103-A107 PolarHBondContact N-O 3.1Å; M103-W183 HydrophobicContact CE-CB 3.77Å; M103-A187 HydrophobicContact CE-CB 4.07Å; M103-A187 HydrophobicContact SD-CB 3.79Å | ||
| 104 | S | 94.1 | Very high | 96.8 | Very high | 136 Ų | 136 | 48 Ų | 48 | 95% | 0.951 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26 | -179.1 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | G106 | S104-G106 VanDerWaalsContact C-N 3.31Š|
| 105 | D | 92.3 | Very high | 97 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 6.6 | 177.7 | 76.9 | -47.9 | 0 | 0 | 0 | 113.6 | M103 A107 S173 R175 | M103-D105 VanDerWaalsContact CB-OD1 3.3Å; M103-D105 WeakPolarHBondContact CB-OD1 3.41Å; M103-D105 PolarHBondContact O-N 2.88Å; D105-A107 VanDerWaalsContact C-N 3.31Å; D105-A107 VanDerWaalsContact OD1-CB 3.27Å; D105-A107 WeakPolarHBondContact OD1-CB 3.45Å; D105-A107 PolarHBondContact OD1-N 2.88Å; D105-S173 WeakPolarHBondContact OD2-CB 3.26Å; D105-S173 PolarHBondContact OD2-OG 3.32Å; D105-R175 IonicContact OD1-CZ 3.34Å; D105-R175 IonicContact OD1-NE 3.6Å; D105-R175 IonicContact OD1-NH2 2.68Å; D105-R175 PolarHBondContact OD1-NH2 2.92Å; D105-R175 VanDerWaalsContact OD1-NH2 3.14Å; D105-R175 WeakPolarHBondContact OD2-CD 3.31Å; D105-R175 IonicContact OD2-CZ 3.49Å; D105-R175 IonicContact OD2-NE 3.19Å; D105-R175 PolarHBondContact OD2-NE 3.48Å; D105-R175 IonicContact OD2-NH2 3.86Å |
| 106 | G | 93.7 | Very high | 97.1 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 85.7 | -6.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M103 S104 T172 | M103-G106 PolarHBondContact O-N 3.43Å; S104-G106 VanDerWaalsContact C-N 3.31Å; G106-T172 PolarHBondContact O-OG1 3.14Å; G106-T172 VanDerWaalsContact O-OG1 3.12Å |
| 107 | A | 95.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -62.7 | 143.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | M103 D105 L163 T172 | M103-A107 HydrophobicContact CB-CB 4.1Å; M103-A107 WeakPolarHBondContact CB-O 3.06Å; M103-A107 HydrophobicContact CG-CB 4.14Å; M103-A107 WeakPolarHBondContact CG-O 3.35Å; M103-A107 PolarHBondContact N-O 3.1Å; D105-A107 VanDerWaalsContact C-N 3.31Å; D105-A107 VanDerWaalsContact OD1-CB 3.27Å; D105-A107 WeakPolarHBondContact OD1-CB 3.45Å; D105-A107 PolarHBondContact OD1-N 2.88Å; A107-L163 HydrophobicContact CB-CD1 4.45Å; A107-L163 HydrophobicContact CB-CD2 4.12Å; A107-T172 WeakPolarHBondContact CA-OG1 3.28Å | ||
| 108 | T | 97.2 | Very high | 97.2 | Very high | 33 Ų | 33 | 46.7 Ų | 46.7 | 20% | 0.202 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 97 | 175 | -55.3 | 0 | 0 | 0 | 0 | 108.8 | F100 T110 T172 | F100-T108 HydrophobicContact CB-CG2 4.23Å; F100-T108 HydrophobicContact CD1-CG2 3.85Å; T108-T110 HydrophobicContact CG2-CG2 4.37Å; T108-T172 WeakPolarHBondContact CB-OG1 3.25Å; T108-T172 PolarHBondContact N-OG1 3.5Å; T108-T172 PolarHBondContact OG1-OG1 3.33Å |
| 109 | S | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 142.2 | 170.9 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | F100 I101 E184 | F100-S109 WeakPolarHBondContact CA-O 3.16Å; I101-S109 PolarHBondContact N-O 2.87Å; I101-S109 PolarHBondContact O-N 3.3Å; S109-E184 WeakPolarHBondContact OG-CB 3.46Å |
| 110 | T | 98.4 | Very high | 97 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 149.7 | 176.7 | 66.8 | 0 | 0 | 0 | 0 | 111.5 | K99 F100 T108 N161 I169 | K99-T110 VanDerWaalsContact O-CA 3.25Å; K99-T110 WeakPolarHBondContact O-CA 3.27Å; K99-T110 WeakPolarHBondContact O-CB 3.42Å; F100-T110 HydrophobicContact CD1-CG2 3.46Å; F100-T110 VanDerWaalsContact CD1-CG2 3.46Å; F100-T110 HydrophobicContact CE1-CG2 3.74Å; F100-T110 HydrophobicContact CG-CG2 4.24Å; T108-T110 HydrophobicContact CG2-CG2 4.37Å; T110-N161 WeakPolarHBondContact O-CB 3.42Å; T110-N161 PolarHBondContact O-N 3.28Å; T110-N161 WeakPolarHBondContact OG1-CB 3.38Å; T110-N161 PolarHBondContact OG1-ND2 3Å; T110-I169 HydrophobicContact CG2-CG2 4.44Å |
| 111 | F | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 155.6 | 171.1 | 73.1 | -87.9 | 0 | 0 | 0 | 108.6 | K99 I101 L113 A158 V159 M188 Y191 I192 | K99-F111 HydrophobicContact CB-CD1 3.82Å; K99-F111 HydrophobicContact CB-CD2 4.35Å; K99-F111 HydrophobicContact CB-CE1 3.33Å; K99-F111 HydrophobicContact CB-CE2 3.94Å; K99-F111 HydrophobicContact CB-CG 4.3Å; K99-F111 HydrophobicContact CB-CZ 3.4Å; K99-F111 HydrophobicContact CG-CD2 4.45Å; K99-F111 HydrophobicContact CG-CE1 4.01Å; K99-F111 HydrophobicContact CG-CE2 3.76Å; K99-F111 HydrophobicContact CG-CZ 3.49Å; K99-F111 VanDerWaalsContact CG-CZ 3.49Å; K99-F111 PolarHBondContact N-O 3.13Å; K99-F111 PolarHBondContact O-N 3.35Å; I101-F111 HydrophobicContact CD1-CD1 4.09Å; I101-F111 HydrophobicContact CD1-CE1 3.75Å; I101-F111 HydrophobicContact CG1-CE1 4.15Å; F111-L113 HydrophobicContact CE2-CB 4.17Å; F111-A158 HydrophobicContact CD2-CB 4.14Å; F111-A158 HydrophobicContact CE2-CB 4.27Å; F111-V159 CarbonylContact C-O 3.5Å; F111-V159 WeakPolarHBondContact CA-O 3.25Å; F111-V159 WeakPolarHBondContact CB-O 3.37Å; F111-M188 HydrophobicContact CB-CG 3.94Å; F111-M188 HydrophobicContact CB-SD 3.5Å; F111-M188 WeakPolarHBondContact CB-SD 3.26Å; F111-M188 HydrophobicContact CD1-CB 4.14Å; F111-M188 HydrophobicContact CD1-CG 3.83Å; F111-M188 HydrophobicContact CD2-CG 3.78Å; F111-M188 HydrophobicContact CD2-SD 3.94Å; F111-M188 HydrophobicContact CE1-CG 4.25Å; F111-M188 HydrophobicContact CE2-CG 4.2Å; F111-M188 HydrophobicContact CG-CB 4.3Å; F111-M188 HydrophobicContact CG-CG 3.58Å; F111-M188 HydrophobicContact CG-SD 3.76Å; F111-M188 HydrophobicContact CZ-CG 4.41Å; F111-Y191 HydrophobicContact CE1-CD1 4.14Å; F111-Y191 HydrophobicContact CE1-CD2 4.42Å; F111-Y191 HydrophobicContact CE1-CG 4.05Å; F111-Y191 HydrophobicContact CE2-CD1 4.44Å; F111-Y191 AromaticContact CZ-CD1 3.45Å; F111-Y191 HydrophobicContact CZ-CD1 3.45Å; F111-Y191 VanDerWaalsContact CZ-CD1 3.45Å; F111-Y191 HydrophobicContact CZ-CD2 4.45Å; F111-Y191 AromaticContact CZ-CE1 3.79Å; F111-Y191 HydrophobicContact CZ-CE1 3.79Å; F111-Y191 AromaticContact CZ-CG 3.85Å; F111-Y191 HydrophobicContact CZ-CG 3.85Å; F111-I192 HydrophobicContact CE2-CD1 4.1Å; F111-I192 HydrophobicContact CZ-CD1 4.45Å |
| 112 | D | 98.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.053 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.1 | 176.8 | -65.2 | -13.7 | 0 | 0 | 0 | 109.9 | R98 F114 S138 V159 N161 | R98-D112 WeakPolarHBondContact CA-OD1 3.47Å; R98-D112 WeakPolarHBondContact CB-OD1 3.33Å; R98-D112 VanDerWaalsContact CG-OD1 3.25Å; R98-D112 WeakPolarHBondContact CG-OD1 3.35Å; R98-D112 IonicContact CZ-OD1 3.85Å; R98-D112 IonicContact CZ-OD2 3.32Å; R98-D112 IonicContact NE-OD1 2.94Å; R98-D112 PolarHBondContact NE-OD1 2.87Å; R98-D112 IonicContact NE-OD2 2.65Å; R98-D112 IonicContact NH2-OD1 2.68Å; R98-D112 IonicContact NH2-OD2 3.78Å; R98-D112 PolarHBondContact NH2-OD2 3.29Å; D112-F114 HydrophobicContact CB-CE2 3.6Å; D112-F114 HydrophobicContact CB-CZ 3.73Å; D112-F114 WeakPolarHBondContact O-CD2 3.45Å; D112-F114 WeakPolarHBondContact O-CE2 3.41Å; D112-S138 VanDerWaalsContact OD2-CB 3.29Å; D112-S138 WeakPolarHBondContact OD2-CB 3.37Å; D112-S138 PolarHBondContact OD2-OG 2.97Å; D112-V159 PolarHBondContact N-O 3.19Å; D112-V159 PolarHBondContact O-N 3.03Å; D112-N161 PolarHBondContact OD1-ND2 2.81Å |
| 113 | L | 98.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.5 | -178.1 | -173.5 | 62.5 | 0 | 0 | 0 | 110.7 | G96 H97 K99 F111 R156 C157 A158 I192 Y196 | G96-L113 CarbonylContact C-O 3.59Å; G96-L113 VanDerWaalsContact CA-O 3.31Å; G96-L113 WeakPolarHBondContact CA-O 3.33Å; H97-L113 PolarHBondContact N-O 2.65Å; H97-L113 PolarHBondContact O-N 3.31Å; K99-L113 HydrophobicContact CG-CB 4.43Å; F111-L113 HydrophobicContact CE2-CB 4.17Å; L113-R156 HydrophobicContact CD1-CG 3.94Å; L113-C157 CarbonylContact C-O 3.58Å; L113-C157 WeakPolarHBondContact CA-O 3.48Å; L113-A158 HydrophobicContact CD1-CB 4.06Å; L113-I192 HydrophobicContact CD1-CD1 3.7Å; L113-Y196 HydrophobicContact CD2-CE2 4.11Å; L113-Y196 WeakPolarHBondContact CD2-OH 3.1Å |
| 114 | F | 98.6 | Very high | 96.2 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.5 | -176.4 | -54 | -95.7 | 0 | 0 | 0 | 109.3 | P94 G96 D112 V147 Q151 R156 C157 V159 | P94-F114 HydrophobicContact CB-CD1 3.88Å; P94-F114 HydrophobicContact CB-CE1 4.03Å; P94-F114 HydrophobicContact CG-CD1 4.23Å; P94-F114 HydrophobicContact CG-CE1 3.93Å; G96-F114 VanDerWaalsContact CA-CD1 3.4Å; D112-F114 HydrophobicContact CB-CE2 3.6Å; D112-F114 HydrophobicContact CB-CZ 3.73Å; D112-F114 WeakPolarHBondContact O-CD2 3.45Å; D112-F114 WeakPolarHBondContact O-CE2 3.41Å; F114-V147 HydrophobicContact CB-CG1 3.85Å; F114-V147 HydrophobicContact CD1-CG1 3.8Å; F114-V147 HydrophobicContact CD2-CG1 3.79Å; F114-V147 HydrophobicContact CE1-CG1 4.26Å; F114-V147 HydrophobicContact CE2-CG1 4.26Å; F114-V147 HydrophobicContact CG-CG1 3.54Å; F114-V147 HydrophobicContact CZ-CG1 4.48Å; F114-Q151 HydrophobicContact CB-CG 4.25Å; F114-R156 CarbonylContact O-C 3.5Å; F114-R156 WeakPolarHBondContact O-CA 3.25Å; F114-R156 WeakPolarHBondContact O-CG 3.2Å; F114-C157 HydrophobicContact CB-CB 4.17Å; F114-C157 HydrophobicContact CD2-CB 4.28Å; F114-C157 PolarHBondContact N-O 2.86Å; F114-C157 PolarHBondContact O-N 3.37Å; F114-V159 HydrophobicContact CD2-CG2 4.25Å; F114-V159 HydrophobicContact CE2-CB 4.38Å; F114-V159 HydrophobicContact CE2-CG2 3.82Å |
| 115 | E | 98 | Very high | 96.3 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | trans | -80.4 | 150.4 | -178.7 | -65.1 | -60.5 | 161.1 | 0 | 0 | 111.8 | Q151 R156 Y196 | E115-Q151 WeakPolarHBondContact O-CG 3.4Å; E115-Q151 PolarHBondContact O-NE2 2.85Å; E115-R156 IonicContact OE2-NE 3.4Å; E115-Y196 PolarHBondContact OE1-OH 3.49Å; E115-Y196 VanDerWaalsContact OE1-OH 3.1Å | ||
| 116 | P | 97.7 | Very high | 96.6 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 33% | 0.325 | 25% | 0.25 | S | S | . | . | trans | -61.2 | 148.3 | 175.7 | 27.9 | -35 | 0 | 0 | 0 | 111.6 | ||||
| 117 | L | 97.5 | Very high | 96.8 | Very high | 112 Ų | 112 | 39.8 Ų | 39.8 | 59% | 0.586 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -105.2 | -2.5 | 178.2 | -67 | 175.3 | 0 | 0 | 0 | 113 | Q151 K152 | L117-Q151 HydrophobicContact CB-CB 4.28Å; L117-Q151 HydrophobicContact CD1-CB 3.94Å; L117-Q151 HydrophobicContact CG-CB 3.87Å; L117-Q151 PolarHBondContact N-O 3.48Å; L117-K152 HydrophobicContact CD1-CG 4.36Å |
| 118 | A | 97 | Very high | 97 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -148.4 | 169.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K152 G154 | A118-K152 WeakPolarHBondContact CB-O 3.46Å; A118-G154 WeakPolarHBondContact O-CA 3.43Å |
| 119 | E | 96.1 | Very high | 97.1 | Very high | 185 Ų | 185 | 38.2 Ų | 38.2 | 86% | 0.864 | 22% | 0.224 | S | C | * | . | trans | -73.8 | 142 | 167.3 | -67.6 | -177.7 | 172.8 | 0 | 0 | 110.2 | ||||
| 120 | H | 96.9 | Very high | 97.1 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | trans | -70.3 | 149.2 | 176.6 | -170.9 | -89.8 | 0 | 0 | 0 | 110.7 | V122 G123 I126 N153 Y155 N402 | H120-V122 VanDerWaalsContact ND1-CG2 3.29Å; H120-V122 WeakPolarHBondContact ND1-CG2 3.33Å; H120-V122 PolarHBondContact ND1-N 3.42Å; H120-V122 PolarHBondContact O-N 2.88Å; H120-G123 PolarHBondContact O-N 3.14Å; H120-I126 WeakPolarHBondContact CE1-CD1 3.47Å; H120-I126 WeakPolarHBondContact ND1-CD1 3.35Å; H120-N153 PolarHBondContact CD2-O 3.26Å; H120-Y155 AromaticContact CD2-CE1 3.68Å; H120-Y155 AromaticContact CD2-CE2 3.83Å; H120-Y155 AromaticContact CD2-CZ 3.6Å; H120-Y155 AromaticContact NE2-CE1 3.32Å; H120-Y155 VanDerWaalsContact NE2-CE1 3.32Å; H120-Y155 WeakPolarHBondContact NE2-CE1 3.48Å; H120-Y155 AromaticContact NE2-CE2 3.62Å; H120-Y155 AromaticContact NE2-CZ 3.03Å; H120-Y155 PolarHBondContact NE2-OH 2.81Å; H120-N402 PolarHBondContact NE2-OD1 3.47Å | ||
| 121 | C | 93.9 | Very high | 97.1 | Very high | 74 Ų | 74 | 37.9 Ų | 37.9 | 50% | 0.5 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.1 | -173.1 | 66 | 0 | 0 | 0 | 0 | 115.3 | ||
| 122 | V | 94.4 | Very high | 97.1 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 17% | 0.17 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -0.3 | 173.9 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | H120 D124 I126 C405 Q406 | H120-V122 VanDerWaalsContact ND1-CG2 3.29Å; H120-V122 WeakPolarHBondContact ND1-CG2 3.33Å; H120-V122 PolarHBondContact ND1-N 3.42Å; H120-V122 PolarHBondContact O-N 2.88Å; V122-D124 VanDerWaalsContact C-N 3.27Å; V122-D124 HydrophobicContact CG2-CB 4.04Å; V122-D124 PolarHBondContact O-N 3.37Å; V122-I126 HydrophobicContact CG2-CD1 4.01Å; V122-C405 HydrophobicContact CG1-CB 4.26Å; V122-C405 HydrophobicContact CG2-CB 4.02Å; V122-Q406 HydrophobicContact CG1-CB 4.47Å; V122-Q406 HydrophobicContact CG1-CG 3.77Å |
| 123 | G | 92.6 | Very high | 96.9 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 64% | 0.639 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 77.6 | -1.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | H120 | H120-G123 PolarHBondContact O-N 3.14Š|
| 124 | D | 92.4 | Very high | 96.7 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -86.5 | 155.8 | -178.3 | -65.1 | -24.6 | 0 | 0 | 0 | 113.2 | V122 I126 | V122-D124 VanDerWaalsContact C-N 3.27Å; V122-D124 HydrophobicContact CG2-CB 4.04Å; V122-D124 PolarHBondContact O-N 3.37Å; D124-I126 HydrophobicContact CB-CD1 4.18Å; D124-I126 HydrophobicContact CB-CG1 4.19Å; D124-I126 PolarHBondContact O-N 2.94Å |
| 125 | D | 95.9 | Very high | 96.4 | Very high | 55 Ų | 55 | 39.5 Ų | 39.5 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | trans | -76 | 109.8 | 169 | 179.3 | -13.5 | 0 | 0 | 0 | 109.8 | R156 T199 Q200 | D125-R156 IonicContact OD1-CZ 3.68Å; D125-R156 VanDerWaalsContact OD1-CZ 3.24Å; D125-R156 IonicContact OD1-NH1 3.62Å; D125-R156 PolarHBondContact OD1-NH1 3.2Å; D125-R156 IonicContact OD1-NH2 2.87Å; D125-R156 PolarHBondContact OD1-NH2 2.91Å; D125-R156 IonicContact OD2-CZ 3.41Å; D125-R156 IonicContact OD2-NH1 3.58Å; D125-R156 PolarHBondContact OD2-NH1 3.46Å; D125-R156 IonicContact OD2-NH2 3.65Å; D125-R156 PolarHBondContact OD2-NH2 3.4Å; D125-T199 VanDerWaalsContact O-CA 3.26Å; D125-T199 WeakPolarHBondContact O-CA 3.49Å; D125-T199 PolarHBondContact O-OG1 3.09Å; D125-T199 WeakPolarHBondContact OD1-CB 3.29Å; D125-T199 PolarHBondContact OD1-OG1 2.48Å; D125-Q200 PolarHBondContact O-N 3.3Å | ||
| 126 | I | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.2 | -179.9 | -57.7 | 155.4 | 0 | 0 | 0 | 110.7 | H120 V122 D124 Y155 R156 Q200 V202 L228 C405 | H120-I126 WeakPolarHBondContact CE1-CD1 3.47Å; H120-I126 WeakPolarHBondContact ND1-CD1 3.35Å; V122-I126 HydrophobicContact CG2-CD1 4.01Å; D124-I126 HydrophobicContact CB-CD1 4.18Å; D124-I126 HydrophobicContact CB-CG1 4.19Å; D124-I126 PolarHBondContact O-N 2.94Å; I126-Y155 HydrophobicContact CB-CD1 4.07Å; I126-Y155 HydrophobicContact CB-CE1 4.13Å; I126-Y155 HydrophobicContact CG2-CD1 3.73Å; I126-Y155 HydrophobicContact CG2-CE1 3.61Å; I126-R156 PolarHBondContact O-N 3.49Å; I126-Q200 WeakPolarHBondContact CA-O 3.5Å; I126-Q200 HydrophobicContact CG1-CB 4.41Å; I126-V202 HydrophobicContact CG2-CG2 3.91Å; I126-L228 HydrophobicContact CD1-CD1 4.46Å; I126-L228 HydrophobicContact CG1-CD1 4.34Å; I126-L228 HydrophobicContact CG2-CD1 4.32Å; I126-C405 HydrophobicContact CD1-CB 4.11Å; I126-C405 VanDerWaalsContact CD1-SG 3.53Å |
| 127 | T | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.8 | 175.7 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | V129 R156 A158 I192 T199 Q200 L201 V202 | T127-V129 HydrophobicContact CG2-CG1 4.26Å; T127-R156 CarbonylContact C-O 3.53Å; T127-R156 VanDerWaalsContact CA-O 3.26Å; T127-R156 WeakPolarHBondContact CA-O 3.2Å; T127-R156 HydrophobicContact CG2-CB 4.16Å; T127-R156 HydrophobicContact CG2-CG 4.2Å; T127-R156 PolarHBondContact OG1-NH1 3.22Å; T127-A158 HydrophobicContact CG2-CB 4.35Å; T127-I192 HydrophobicContact CG2-CG2 3.77Å; T127-T199 PolarHBondContact N-OG1 3.28Å; T127-T199 PolarHBondContact OG1-OG1 3.22Å; T127-Q200 PolarHBondContact N-O 3.29Å; T127-L201 WeakPolarHBondContact O-CA 3.37Å; T127-V202 PolarHBondContact O-N 2.87Å |
| 128 | M | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 112.1 | 163.7 | -73.5 | -170.7 | 175.2 | 0 | 0 | 110.4 | I130 F146 A150 Y155 R156 C157 A158 V202 V398 A401 | M128-I130 HydrophobicContact CB-CD1 4.19Å; M128-I130 HydrophobicContact CB-CG1 4.17Å; M128-F146 HydrophobicContact SD-CE1 4.24Å; M128-F146 HydrophobicContact SD-CZ 3.91Å; M128-A150 HydrophobicContact SD-CB 3.75Å; M128-Y155 HydrophobicContact CE-CD1 3.74Å; M128-Y155 HydrophobicContact CE-CD2 3.55Å; M128-Y155 HydrophobicContact CE-CE1 3.63Å; M128-Y155 HydrophobicContact CE-CE2 3.45Å; M128-Y155 VanDerWaalsContact CE-CE2 3.45Å; M128-Y155 HydrophobicContact CE-CG 3.68Å; M128-Y155 VanDerWaalsContact CE-CZ 3.46Å; M128-Y155 HydrophobicContact CG-CD1 3.71Å; M128-Y155 HydrophobicContact CG-CE1 4.3Å; M128-Y155 HydrophobicContact CG-CG 3.9Å; M128-Y155 HydrophobicContact SD-CD1 4.26Å; M128-Y155 HydrophobicContact SD-CD2 4.22Å; M128-Y155 HydrophobicContact SD-CG 3.98Å; M128-R156 PolarHBondContact N-O 3.06Å; M128-C157 CarbonylContact O-C 3.45Å; M128-C157 WeakPolarHBondContact O-CA 3.36Å; M128-A158 PolarHBondContact O-N 2.89Å; M128-V202 CarbonylContact C-O 3.57Å; M128-V202 VanDerWaalsContact CA-O 3.26Å; M128-V202 WeakPolarHBondContact CA-O 3.05Å; M128-V202 HydrophobicContact CE-CG1 4.21Å; M128-V202 HydrophobicContact CG-CB 3.96Å; M128-V202 HydrophobicContact CG-CG1 4.12Å; M128-V398 HydrophobicContact CE-CG2 4.22Å; M128-A401 HydrophobicContact CE-CB 3.7Å |
| 129 | V | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 112.8 | 172.2 | -70.1 | 0 | 0 | 0 | 0 | 109.3 | T127 A158 F185 M188 V189 I192 L201 V202 V203 V204 | T127-V129 HydrophobicContact CG2-CG1 4.26Å; V129-A158 HydrophobicContact CG1-CB 4.31Å; V129-F185 HydrophobicContact CB-CE2 4.35Å; V129-F185 HydrophobicContact CB-CZ 4.18Å; V129-F185 HydrophobicContact CG2-CZ 3.92Å; V129-M188 HydrophobicContact CB-CE 4Å; V129-M188 HydrophobicContact CG1-CE 4.42Å; V129-V189 HydrophobicContact CB-CG2 4.24Å; V129-V189 HydrophobicContact CG1-CG2 4.27Å; V129-V189 HydrophobicContact CG2-CG2 4.12Å; V129-I192 HydrophobicContact CG1-CG1 4.36Å; V129-L201 HydrophobicContact CG1-CD2 4.22Å; V129-V202 PolarHBondContact N-O 2.94Å; V129-V203 HydrophobicContact CG2-CB 4.21Å; V129-V203 HydrophobicContact CG2-CG1 4.49Å; V129-V203 HydrophobicContact CG2-CG2 3.66Å; V129-V204 PolarHBondContact O-N 3.49Å |
| 130 | I | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.1 | -163.7 | -59.2 | 158.8 | 0 | 0 | 0 | 110.1 | M128 I143 F146 V147 C157 A158 V159 L160 V204 F206 | M128-I130 HydrophobicContact CB-CD1 4.19Å; M128-I130 HydrophobicContact CB-CG1 4.17Å; I130-I143 HydrophobicContact CG2-CD1 4.09Å; I130-F146 HydrophobicContact CD1-CD1 3.9Å; I130-F146 HydrophobicContact CD1-CE1 3.66Å; I130-F146 HydrophobicContact CG1-CE1 4.03Å; I130-V147 HydrophobicContact CD1-CG2 4.04Å; I130-C157 HydrophobicContact CD1-CB 4.01Å; I130-A158 PolarHBondContact N-O 3.31Å; I130-V159 HydrophobicContact CB-CG1 4.39Å; I130-V159 HydrophobicContact CB-CG2 4.16Å; I130-V159 HydrophobicContact CD1-CG2 3.97Å; I130-V159 HydrophobicContact CG2-CG1 4.29Å; I130-L160 PolarHBondContact O-N 3.44Å; I130-V204 CarbonylContact C-O 3.57Å; I130-V204 WeakPolarHBondContact CA-O 3.43Å; I130-V204 HydrophobicContact CG1-CB 4.21Å; I130-F206 HydrophobicContact CG2-CD2 4.13Å; I130-F206 HydrophobicContact CG2-CE2 3.8Å |
| 131 | C | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 112.3 | 173.4 | -164 | 0 | 0 | 0 | 0 | 110.5 | F185 V204 F206 G209 V213 | C131-F185 HydrophobicContact CB-CD2 3.94Å; C131-F185 HydrophobicContact CB-CE2 3.98Å; C131-V204 PolarHBondContact N-O 3.09Å; C131-F206 PolarHBondContact O-N 2.98Å; C131-G209 WeakPolarHBondContact SG-CA 3.4Å; C131-V213 HydrophobicContact CB-CG1 3.53Å |
| 132 | P | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -67 | 169.9 | 178 | -24.4 | 36.8 | 0 | 0 | 0 | 114.2 | N136 Y142 I143 V159 L160 H162 F206 G209 | P132-N136 HydrophobicContact CB-CB 3.7Å; P132-Y142 WeakPolarHBondContact CA-OH 3.33Å; P132-Y142 WeakPolarHBondContact CB-OH 3.48Å; P132-I143 HydrophobicContact CB-CD1 4.12Å; P132-I143 HydrophobicContact CB-CG1 4.35Å; P132-I143 HydrophobicContact CG-CD1 4Å; P132-I143 HydrophobicContact CG-CG1 4.26Å; P132-V159 HydrophobicContact CG-CG1 3.64Å; P132-L160 WeakPolarHBondContact CD-O 3.45Å; P132-L160 WeakPolarHBondContact CG-O 2.99Å; P132-H162 PolarHBondContact O-NE2 2.65Å; P132-F206 CarbonylContact C-O 3.49Å; P132-G209 VanDerWaalsContact O-CA 3.27Å; P132-G209 WeakPolarHBondContact O-CA 3.39Å; P132-G209 PolarHBondContact O-N 2.86Å | ||
| 133 | G | 95.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -68.2 | -178.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A135 N136 Y142 H162 F206 | G133-A135 PolarHBondContact O-N 2.88Å; G133-N136 WeakPolarHBondContact O-CB 3.37Å; G133-N136 PolarHBondContact O-N 3.14Å; G133-N136 VanDerWaalsContact O-N 3.15Å; G133-Y142 PolarHBondContact N-OH 3.34Å; G133-H162 PolarHBondContact O-CD2 2.9Å; G133-H162 PolarHBondContact O-NE2 3.47Å; G133-F206 WeakPolarHBondContact CA-O 3.31Å; G133-F206 PolarHBondContact N-O 2.99Å |
| 134 | I | 94 | Very high | 96.1 | Very high | 42 Ų | 42 | 23.8 Ų | 23.8 | 22% | 0.215 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 130.2 | -174.8 | -172 | 163.8 | 0 | 0 | 0 | 112.3 | N136 F177 L208 M260 M264 L300 | I134-N136 PolarHBondContact O-N 3.25Å; I134-F177 HydrophobicContact CG1-CE2 4.08Å; I134-F177 HydrophobicContact CG1-CZ 4.19Å; I134-L208 HydrophobicContact CB-CB 4.09Å; I134-L208 HydrophobicContact CB-CD1 3.75Å; I134-L208 HydrophobicContact CD1-CD1 4Å; I134-L208 HydrophobicContact CG1-CD1 3.77Å; I134-M260 HydrophobicContact CD1-CE 4.43Å; I134-M260 HydrophobicContact CG2-CE 3.79Å; I134-M264 HydrophobicContact CD1-CE 3.51Å; I134-M264 HydrophobicContact CG1-CE 3.44Å; I134-M264 VanDerWaalsContact CG1-CE 3.44Å; I134-L300 HydrophobicContact CD1-CD1 4.41Å; I134-L300 HydrophobicContact CD1-CD2 4.21Å |
| 135 | A | 92.2 | Very high | 96.2 | Very high | 11 Ų | 11 | 20.5 Ų | 20.5 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 26.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | G133 F177 M264 I267 | G133-A135 PolarHBondContact O-N 2.88Å; A135-F177 HydrophobicContact CB-CE1 3.98Å; A135-F177 HydrophobicContact CB-CZ 3.62Å; A135-M264 HydrophobicContact CB-CE 4.25Å; A135-I267 HydrophobicContact CB-CD1 3.48Å; A135-I267 VanDerWaalsContact CB-CD1 3.48Å |
| 136 | N | 94.9 | Very high | 96.3 | Very high | 28 Ų | 28 | 17.9 Ų | 17.9 | 15% | 0.15 | 9% | 0.085 | C | C | . | . | trans | -103.9 | 172.4 | 178.3 | -74.4 | -35.1 | 0 | 0 | 0 | 112.5 | P132 G133 I134 K140 H162 | P132-N136 HydrophobicContact CB-CB 3.7Å; G133-N136 WeakPolarHBondContact O-CB 3.37Å; G133-N136 PolarHBondContact O-N 3.14Å; G133-N136 VanDerWaalsContact O-N 3.15Å; I134-N136 PolarHBondContact O-N 3.25Å; N136-K140 HydrophobicContact CB-CG 3.94Å; N136-K140 WeakPolarHBondContact OD1-CE 3.47Å; N136-K140 WeakPolarHBondContact OD1-CG 3.37Å; N136-H162 PolarHBondContact O-CD2 3.48Å; N136-H162 PolarHBondContact O-N 2.95Å | ||
| 137 | H | 96.5 | Very high | 96.3 | Very high | 9 Ų | 9 | 17.8 Ų | 17.8 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | trans | -155.1 | 172 | -174 | 53.3 | 92.7 | 0 | 0 | 0 | 108.6 | E139 K140 N161 A165 L166 | H137-E139 IonicContact CE1-OE2 3.95Å; H137-E139 WeakPolarHBondContact ND1-CB 3.25Å; H137-E139 PolarHBondContact ND1-N 2.81Å; H137-E139 PolarHBondContact O-N 2.81Å; H137-E139 VanDerWaalsContact O-N 3.17Å; H137-K140 VanDerWaalsContact NE2-CE 3.27Å; H137-K140 WeakPolarHBondContact NE2-CE 3.19Å; H137-K140 PolarHBondContact NE2-NZ 3.22Å; H137-K140 WeakPolarHBondContact O-CG 3.48Å; H137-K140 PolarHBondContact O-N 2.71Å; H137-N161 HydrophobicContact CB-CB 4.01Å; H137-N161 WeakPolarHBondContact CB-OD1 3.27Å; H137-A165 PolarHBondContact CD2-O 2.83Å; H137-L166 HydrophobicContact CB-CD2 3.83Å; H137-L166 HydrophobicContact CB-CG 3.95Å; H137-L166 WeakPolarHBondContact ND1-CD2 3.18Å | ||
| 138 | S | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -33.6 | -178.5 | 60.9 | 0 | 0 | 0 | 0 | 115.4 | D112 K140 I143 R144 N161 | D112-S138 VanDerWaalsContact OD2-CB 3.29Å; D112-S138 WeakPolarHBondContact OD2-CB 3.37Å; D112-S138 PolarHBondContact OD2-OG 2.97Å; S138-K140 PolarHBondContact O-N 3.12Å; S138-I143 WeakPolarHBondContact O-CG2 3.48Å; S138-R144 WeakPolarHBondContact O-CG 3.34Å; S138-N161 WeakPolarHBondContact CB-OD1 3.36Å; S138-N161 PolarHBondContact N-OD1 2.9Å; S138-N161 PolarHBondContact OG-OD1 2.68Å; S138-N161 VanDerWaalsContact OG-OD1 3.09Å |
| 139 | E | 95 | Very high | 96.2 | Very high | 81 Ų | 81 | 21.7 Ų | 21.7 | 38% | 0.379 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -7 | -173.6 | -47.7 | 172.9 | -178.6 | 0 | 0 | 113.1 | R98 H137 R144 L166 | R98-E139 IonicContact CZ-OE1 3.6Å; R98-E139 IonicContact NH1-OE1 2.82Å; R98-E139 PolarHBondContact NH1-OE1 3.29Å; R98-E139 IonicContact NH2-OE1 3.24Å; R98-E139 PolarHBondContact NH2-OE1 2.68Å; H137-E139 IonicContact CE1-OE2 3.95Å; H137-E139 WeakPolarHBondContact ND1-CB 3.25Å; H137-E139 PolarHBondContact ND1-N 2.81Å; H137-E139 PolarHBondContact O-N 2.81Å; H137-E139 VanDerWaalsContact O-N 3.17Å; E139-R144 PolarHBondContact O-NE 3.21Å; E139-R144 PolarHBondContact O-NH2 3.14Å; E139-L166 HydrophobicContact CG-CD2 4.34Å |
| 140 | K | 93.9 | Very high | 96.2 | Very high | 77 Ų | 77 | 21.7 Ų | 21.7 | 34% | 0.335 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -65.8 | 139.7 | 175.3 | -63.5 | -56.3 | -169.8 | -155.4 | 0 | 110.5 | N136 H137 S138 Y142 I143 R144 | N136-K140 HydrophobicContact CB-CG 3.94Å; N136-K140 WeakPolarHBondContact OD1-CE 3.47Å; N136-K140 WeakPolarHBondContact OD1-CG 3.37Å; H137-K140 VanDerWaalsContact NE2-CE 3.27Å; H137-K140 WeakPolarHBondContact NE2-CE 3.19Å; H137-K140 PolarHBondContact NE2-NZ 3.22Å; H137-K140 WeakPolarHBondContact O-CG 3.48Å; H137-K140 PolarHBondContact O-N 2.71Å; S138-K140 PolarHBondContact O-N 3.12Å; K140-Y142 VanDerWaalsContact C-N 3.33Å; K140-Y142 HydrophobicContact CB-CD1 3.97Å; K140-Y142 HydrophobicContact CB-CE1 3.91Å; K140-Y142 PolarHBondContact O-N 3.26Å; K140-I143 HydrophobicContact CB-CG1 4.49Å; K140-I143 WeakPolarHBondContact O-CB 3.5Å; K140-I143 PolarHBondContact O-N 2.91Å; K140-R144 PolarHBondContact O-N 3.46Å |
| 141 | Q | 93.5 | Very high | 96.2 | Very high | 73 Ų | 73 | 22 Ų | 22 | 34% | 0.341 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -58.1 | -40.7 | -171.5 | -69 | 177 | 6.2 | 0 | 0 | 113.7 | M86 R88 S91 I143 R144 T145 | M86-Q141 PolarHBondContact O-OE1 2.93Å; R88-Q141 HydrophobicContact CB-CB 4.49Å; R88-Q141 VanDerWaalsContact N-OE1 3.16Å; R88-Q141 PolarHBondContact O-OE1 3.41Å; S91-Q141 WeakPolarHBondContact OG-CA 3.36Å; S91-Q141 PolarHBondContact OG-O 3.25Å; Q141-I143 VanDerWaalsContact C-N 3.32Å; Q141-I143 PolarHBondContact O-N 3.5Å; Q141-R144 PolarHBondContact O-N 3.1Å; Q141-T145 PolarHBondContact O-N 3.02Å; Q141-T145 PolarHBondContact O-OG1 3.41Å |
| 142 | Y | 93.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 2% | 0.02 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.5 | -36.5 | 178.7 | 84.4 | -85.2 | 0 | 0 | 0 | 112.6 | Y83 P132 G133 K140 F146 F206 | Y83-Y142 AromaticContact CE2-CD1 3.95Å; Y83-Y142 HydrophobicContact CE2-CD1 3.95Å; Y83-Y142 AromaticContact CE2-CG 3.84Å; Y83-Y142 HydrophobicContact CE2-CG 3.84Å; Y83-Y142 VanDerWaalsContact OH-CD1 3.31Å; Y83-Y142 WeakPolarHBondContact OH-CD1 3.32Å; Y83-Y142 WeakPolarHBondContact OH-CE1 3.21Å; P132-Y142 WeakPolarHBondContact CA-OH 3.33Å; P132-Y142 WeakPolarHBondContact CB-OH 3.48Å; G133-Y142 PolarHBondContact N-OH 3.34Å; K140-Y142 VanDerWaalsContact C-N 3.33Å; K140-Y142 HydrophobicContact CB-CD1 3.97Å; K140-Y142 HydrophobicContact CB-CE1 3.91Å; K140-Y142 PolarHBondContact O-N 3.26Å; Y142-F146 WeakPolarHBondContact O-CB 3.4Å; Y142-F146 PolarHBondContact O-N 3.32Å; Y142-F206 HydrophobicContact CE2-CB 4.06Å; Y142-F206 HydrophobicContact CE2-CD1 4.46Å; Y142-F206 AromaticContact CE2-CD2 3.89Å; Y142-F206 HydrophobicContact CE2-CD2 3.89Å; Y142-F206 HydrophobicContact CE2-CE2 4.45Å; Y142-F206 AromaticContact CE2-CG 3.88Å; Y142-F206 HydrophobicContact CE2-CG 3.88Å |
| 143 | I | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.5 | -46.5 | 172.8 | -64.7 | -63.8 | 0 | 0 | 0 | 110.2 | I130 P132 S138 K140 Q141 T145 F146 V147 V159 F206 | I130-I143 HydrophobicContact CG2-CD1 4.09Å; P132-I143 HydrophobicContact CB-CD1 4.12Å; P132-I143 HydrophobicContact CB-CG1 4.35Å; P132-I143 HydrophobicContact CG-CD1 4Å; P132-I143 HydrophobicContact CG-CG1 4.26Å; S138-I143 WeakPolarHBondContact O-CG2 3.48Å; K140-I143 HydrophobicContact CB-CG1 4.49Å; K140-I143 WeakPolarHBondContact O-CB 3.5Å; K140-I143 PolarHBondContact O-N 2.91Å; Q141-I143 VanDerWaalsContact C-N 3.32Å; Q141-I143 PolarHBondContact O-N 3.5Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 2.92Å; I143-F146 PolarHBondContact O-N 2.95Å; I143-V147 HydrophobicContact CG2-CG2 3.86Å; I143-V147 WeakPolarHBondContact O-CB 3.34Å; I143-V147 VanDerWaalsContact O-CG2 3.25Å; I143-V147 WeakPolarHBondContact O-CG2 3.25Å; I143-V147 PolarHBondContact O-N 3.15Å; I143-V159 HydrophobicContact CD1-CG1 4.49Å; I143-V159 HydrophobicContact CG2-CB 4.37Å; I143-V159 HydrophobicContact CG2-CG1 3.77Å; I143-V159 HydrophobicContact CG2-CG2 3.85Å; I143-F206 HydrophobicContact CD1-CD2 4.02Å; I143-F206 HydrophobicContact CD1-CE2 4.16Å |
| 144 | R | 96.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 29.7 Ų | 29.7 | 15% | 0.147 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.8 | -44.1 | 179.7 | -71.4 | -172.7 | -74.6 | 146.9 | -22.4 | 112.7 | P92 H93 P94 S138 E139 K140 Q141 D148 | P92-R144 WeakPolarHBondContact O-CB 3.4Å; P92-R144 WeakPolarHBondContact O-CD 3.44Å; P92-R144 PolarHBondContact O-NH1 2.99Å; H93-R144 PolarHBondContact CD2-NH1 3.33Å; H93-R144 PolarHBondContact CE1-NH1 3.41Å; H93-R144 PolarHBondContact NE2-NH1 2.95Å; P94-R144 HydrophobicContact CG-CB 4.21Å; P94-R144 HydrophobicContact CG-CG 4.29Å; S138-R144 WeakPolarHBondContact O-CG 3.34Å; E139-R144 PolarHBondContact O-NE 3.21Å; E139-R144 PolarHBondContact O-NH2 3.14Å; K140-R144 PolarHBondContact O-N 3.46Å; Q141-R144 PolarHBondContact O-N 3.1Å; R144-D148 VanDerWaalsContact O-CB 3.32Å; R144-D148 WeakPolarHBondContact O-CB 3.33Å; R144-D148 PolarHBondContact O-N 2.92Å |
| 145 | T | 95.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 174.1 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | R88 Q141 I143 Y149 P389 L390 | R88-T145 HydrophobicContact CB-CG2 4.5Å; R88-T145 WeakPolarHBondContact CB-OG1 3.37Å; R88-T145 HydrophobicContact CG-CG2 4.24Å; Q141-T145 PolarHBondContact O-N 3.02Å; Q141-T145 PolarHBondContact O-OG1 3.41Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 2.92Å; T145-Y149 WeakPolarHBondContact O-CB 2.98Å; T145-Y149 PolarHBondContact O-N 3.09Å; T145-Y149 VanDerWaalsContact O-N 3.12Å; T145-P389 WeakPolarHBondContact CG2-O 3.45Å; T145-L390 HydrophobicContact CG2-CD2 3.81Å |
| 146 | F | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 179.5 | 178.5 | -109.3 | 0 | 0 | 0 | 112.2 | M128 I130 Y142 I143 Y149 A150 V204 F206 D394 V397 V398 | M128-F146 HydrophobicContact SD-CE1 4.24Å; M128-F146 HydrophobicContact SD-CZ 3.91Å; I130-F146 HydrophobicContact CD1-CD1 3.9Å; I130-F146 HydrophobicContact CD1-CE1 3.66Å; I130-F146 HydrophobicContact CG1-CE1 4.03Å; Y142-F146 WeakPolarHBondContact O-CB 3.4Å; Y142-F146 PolarHBondContact O-N 3.32Å; I143-F146 PolarHBondContact O-N 2.95Å; F146-Y149 PolarHBondContact O-N 2.82Å; F146-A150 WeakPolarHBondContact O-CB 3.34Å; F146-A150 PolarHBondContact O-N 3.03Å; F146-V204 HydrophobicContact CE1-CG1 4.24Å; F146-V204 HydrophobicContact CZ-CG1 4.26Å; F146-V204 HydrophobicContact CZ-CG2 4.39Å; F146-F206 HydrophobicContact CD1-CE2 4.02Å; F146-F206 AromaticContact CD1-CZ 3.92Å; F146-F206 HydrophobicContact CD1-CZ 3.92Å; F146-F206 HydrophobicContact CD2-CZ 4.29Å; F146-F206 HydrophobicContact CE1-CE2 4.26Å; F146-F206 HydrophobicContact CE1-CZ 4.09Å; F146-F206 HydrophobicContact CE2-CZ 4.46Å; F146-F206 HydrophobicContact CG-CE2 4.49Å; F146-F206 HydrophobicContact CG-CZ 4.02Å; F146-F206 HydrophobicContact CZ-CZ 4.37Å; F146-D394 HydrophobicContact CD2-CB 4.2Å; F146-V397 HydrophobicContact CE2-CB 3.87Å; F146-V397 HydrophobicContact CE2-CG1 3.71Å; F146-V397 HydrophobicContact CZ-CB 4.25Å; F146-V397 HydrophobicContact CZ-CG1 3.56Å; F146-V398 HydrophobicContact CE2-CG2 4.01Å |
| 147 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 178.5 | 166.8 | 0 | 0 | 0 | 0 | 111.3 | P94 F114 I130 I143 Y149 A150 Q151 C157 V159 | P94-V147 HydrophobicContact CB-CG1 4.13Å; P94-V147 HydrophobicContact CG-CB 4.38Å; P94-V147 HydrophobicContact CG-CG1 4.01Å; F114-V147 HydrophobicContact CB-CG1 3.85Å; F114-V147 HydrophobicContact CD1-CG1 3.8Å; F114-V147 HydrophobicContact CD2-CG1 3.79Å; F114-V147 HydrophobicContact CE1-CG1 4.26Å; F114-V147 HydrophobicContact CE2-CG1 4.26Å; F114-V147 HydrophobicContact CG-CG1 3.54Å; F114-V147 HydrophobicContact CZ-CG1 4.48Å; I130-V147 HydrophobicContact CD1-CG2 4.04Å; I143-V147 HydrophobicContact CG2-CG2 3.86Å; I143-V147 WeakPolarHBondContact O-CB 3.34Å; I143-V147 VanDerWaalsContact O-CG2 3.25Å; I143-V147 WeakPolarHBondContact O-CG2 3.25Å; I143-V147 PolarHBondContact O-N 3.15Å; V147-Y149 VanDerWaalsContact C-N 3.26Å; V147-Y149 PolarHBondContact O-N 3.34Å; V147-A150 PolarHBondContact O-N 3.27Å; V147-Q151 HydrophobicContact CG1-CG 4.19Å; V147-Q151 WeakPolarHBondContact O-CB 3.38Å; V147-Q151 VanDerWaalsContact O-CG 3.26Å; V147-Q151 WeakPolarHBondContact O-CG 3.31Å; V147-Q151 PolarHBondContact O-N 3.17Å; V147-C157 HydrophobicContact CG1-CB 4.06Å; V147-C157 HydrophobicContact CG2-CB 4.17Å; V147-V159 HydrophobicContact CG2-CG2 3.6Å |
| 148 | D | 97.9 | Very high | 97.1 | Very high | 29 Ų | 29 | 26.2 Ų | 26.2 | 16% | 0.155 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.2 | -40.9 | 177 | 173.3 | 83.6 | 0 | 0 | 0 | 111.7 | P92 R144 K152 | P92-D148 HydrophobicContact CB-CB 3.97Å; P92-D148 HydrophobicContact CG-CB 3.33Å; R144-D148 VanDerWaalsContact O-CB 3.32Å; R144-D148 WeakPolarHBondContact O-CB 3.33Å; R144-D148 PolarHBondContact O-N 2.92Å; D148-K152 VanDerWaalsContact CG-NZ 3.34Å; D148-K152 WeakPolarHBondContact O-CD 3.38Å; D148-K152 VanDerWaalsContact O-CG 3.32Å; D148-K152 WeakPolarHBondContact O-CG 3.31Å; D148-K152 PolarHBondContact O-N 3.34Å; D148-K152 WeakPolarHBondContact OD1-CE 3.37Å; D148-K152 IonicContact OD1-NZ 3.26Å; D148-K152 PolarHBondContact OD1-NZ 3.28Å; D148-K152 WeakPolarHBondContact OD2-CE 3.34Å; D148-K152 IonicContact OD2-NZ 2.68Å; D148-K152 PolarHBondContact OD2-NZ 3.02Å |
| 149 | Y | 98 | Very high | 97.2 | Very high | 53 Ų | 53 | 26.1 Ų | 26.1 | 21% | 0.208 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.5 | -43.4 | 176.5 | -171.9 | -115.4 | 0 | 0 | 0 | 112.8 | T145 F146 V147 K152 N153 L390 K395 V398 | T145-Y149 WeakPolarHBondContact O-CB 2.98Å; T145-Y149 PolarHBondContact O-N 3.09Å; T145-Y149 VanDerWaalsContact O-N 3.12Å; F146-Y149 PolarHBondContact O-N 2.82Å; V147-Y149 VanDerWaalsContact C-N 3.26Å; V147-Y149 PolarHBondContact O-N 3.34Å; Y149-K152 PolarHBondContact O-N 3Å; Y149-N153 PolarHBondContact O-N 2.94Å; Y149-N153 PolarHBondContact O-ND2 3.2Å; Y149-L390 HydrophobicContact CD1-CD2 4.4Å; Y149-L390 HydrophobicContact CD2-CD1 3.46Å; Y149-L390 VanDerWaalsContact CD2-CD1 3.46Å; Y149-L390 HydrophobicContact CD2-CD2 3.81Å; Y149-L390 HydrophobicContact CD2-CG 4.31Å; Y149-L390 HydrophobicContact CE2-CD1 3.64Å; Y149-L390 HydrophobicContact CG-CD1 4.2Å; Y149-L390 HydrophobicContact CG-CD2 3.7Å; Y149-K395 HydrophobicContact CE1-CG 4.24Å; Y149-V398 HydrophobicContact CD1-CB 4.15Å; Y149-V398 HydrophobicContact CD1-CG1 4.5Å; Y149-V398 HydrophobicContact CD1-CG2 3.66Å; Y149-V398 HydrophobicContact CE1-CB 3.77Å; Y149-V398 HydrophobicContact CE1-CG1 4.02Å; Y149-V398 HydrophobicContact CE1-CG2 3.83Å |
| 150 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M128 F146 V147 K152 N153 G154 Y155 V398 | M128-A150 HydrophobicContact SD-CB 3.75Å; F146-A150 WeakPolarHBondContact O-CB 3.34Å; F146-A150 PolarHBondContact O-N 3.03Å; V147-A150 PolarHBondContact O-N 3.27Å; A150-K152 VanDerWaalsContact C-N 3.3Å; A150-K152 PolarHBondContact O-N 3.24Å; A150-N153 CarbonylContact O-C 3.55Å; A150-N153 WeakPolarHBondContact O-CA 3.33Å; A150-N153 PolarHBondContact O-N 2.79Å; A150-G154 PolarHBondContact O-N 3.35Å; A150-Y155 HydrophobicContact CB-CD2 4.43Å; A150-Y155 WeakPolarHBondContact O-CB 3.34Å; A150-Y155 WeakPolarHBondContact O-CD2 3.4Å; A150-Y155 PolarHBondContact O-N 3.19Å; A150-Y155 VanDerWaalsContact O-N 3.1Å; A150-V398 HydrophobicContact CB-CG2 4.38Å |
| 151 | Q | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 3% | 0.033 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.9 | -42.2 | 174.9 | -74.2 | 179.1 | -79.1 | 0 | 0 | 111.9 | F114 E115 L117 V147 N153 G154 Y155 | F114-Q151 HydrophobicContact CB-CG 4.25Å; E115-Q151 WeakPolarHBondContact O-CG 3.4Å; E115-Q151 PolarHBondContact O-NE2 2.85Å; L117-Q151 HydrophobicContact CB-CB 4.28Å; L117-Q151 HydrophobicContact CD1-CB 3.94Å; L117-Q151 HydrophobicContact CG-CB 3.87Å; L117-Q151 PolarHBondContact N-O 3.48Å; V147-Q151 HydrophobicContact CG1-CG 4.19Å; V147-Q151 WeakPolarHBondContact O-CB 3.38Å; V147-Q151 VanDerWaalsContact O-CG 3.26Å; V147-Q151 WeakPolarHBondContact O-CG 3.31Å; V147-Q151 PolarHBondContact O-N 3.17Å; Q151-N153 PolarHBondContact O-N 2.87Å; Q151-G154 PolarHBondContact O-N 3.39Å; Q151-Y155 WeakPolarHBondContact CA-O 3.4Å |
| 152 | K | 98.2 | Very high | 97.9 | Very high | 113 Ų | 113 | 15.5 Ų | 15.5 | 49% | 0.491 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -67.1 | -17.9 | 175.9 | -73.6 | 168.5 | -179.2 | 163.6 | 0 | 113.7 | L117 A118 D148 Y149 A150 | L117-K152 HydrophobicContact CD1-CG 4.36Å; A118-K152 WeakPolarHBondContact CB-O 3.46Å; D148-K152 VanDerWaalsContact CG-NZ 3.34Å; D148-K152 WeakPolarHBondContact O-CD 3.38Å; D148-K152 VanDerWaalsContact O-CG 3.32Å; D148-K152 WeakPolarHBondContact O-CG 3.31Å; D148-K152 PolarHBondContact O-N 3.34Å; D148-K152 WeakPolarHBondContact OD1-CE 3.37Å; D148-K152 IonicContact OD1-NZ 3.26Å; D148-K152 PolarHBondContact OD1-NZ 3.28Å; D148-K152 WeakPolarHBondContact OD2-CE 3.34Å; D148-K152 IonicContact OD2-NZ 2.68Å; D148-K152 PolarHBondContact OD2-NZ 3.02Å; Y149-K152 PolarHBondContact O-N 3Å; A150-K152 VanDerWaalsContact C-N 3.3Å; A150-K152 PolarHBondContact O-N 3.24Å |
| 153 | N | 98.3 | Very high | 98 | Very high | 44 Ų | 44 | 15.7 Ų | 15.7 | 24% | 0.235 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 11.5 | 172.2 | -76.6 | -93.2 | 0 | 0 | 0 | 112.6 | H120 Y149 A150 Q151 Y155 V398 | H120-N153 PolarHBondContact CD2-O 3.26Å; Y149-N153 PolarHBondContact O-N 2.94Å; Y149-N153 PolarHBondContact O-ND2 3.2Å; A150-N153 CarbonylContact O-C 3.55Å; A150-N153 WeakPolarHBondContact O-CA 3.33Å; A150-N153 PolarHBondContact O-N 2.79Å; Q151-N153 PolarHBondContact O-N 2.87Å; N153-Y155 HydrophobicContact CB-CD2 3.99Å; N153-Y155 HydrophobicContact CB-CE2 4.09Å; N153-V398 HydrophobicContact CB-CG1 3.74Å |
| 154 | G | 98.2 | Very high | 98 | Very high | 6 Ų | 6 | 16.1 Ų | 16.1 | 6% | 0.062 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 16.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A118 A150 Q151 | A118-G154 WeakPolarHBondContact O-CA 3.43Å; A150-G154 PolarHBondContact O-N 3.35Å; Q151-G154 PolarHBondContact O-N 3.39Å |
| 155 | Y | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -89.2 | 133.5 | 174.1 | -66.3 | -80.5 | 0 | 0 | 0 | 112.2 | H120 I126 M128 A150 Q151 N153 V202 V398 A401 N402 | H120-Y155 AromaticContact CD2-CE1 3.68Å; H120-Y155 AromaticContact CD2-CE2 3.83Å; H120-Y155 AromaticContact CD2-CZ 3.6Å; H120-Y155 AromaticContact NE2-CE1 3.32Å; H120-Y155 VanDerWaalsContact NE2-CE1 3.32Å; H120-Y155 WeakPolarHBondContact NE2-CE1 3.48Å; H120-Y155 AromaticContact NE2-CE2 3.62Å; H120-Y155 AromaticContact NE2-CZ 3.03Å; H120-Y155 PolarHBondContact NE2-OH 2.81Å; I126-Y155 HydrophobicContact CB-CD1 4.07Å; I126-Y155 HydrophobicContact CB-CE1 4.13Å; I126-Y155 HydrophobicContact CG2-CD1 3.73Å; I126-Y155 HydrophobicContact CG2-CE1 3.61Å; M128-Y155 HydrophobicContact CE-CD1 3.74Å; M128-Y155 HydrophobicContact CE-CD2 3.55Å; M128-Y155 HydrophobicContact CE-CE1 3.63Å; M128-Y155 HydrophobicContact CE-CE2 3.45Å; M128-Y155 VanDerWaalsContact CE-CE2 3.45Å; M128-Y155 HydrophobicContact CE-CG 3.68Å; M128-Y155 VanDerWaalsContact CE-CZ 3.46Å; M128-Y155 HydrophobicContact CG-CD1 3.71Å; M128-Y155 HydrophobicContact CG-CE1 4.3Å; M128-Y155 HydrophobicContact CG-CG 3.9Å; M128-Y155 HydrophobicContact SD-CD1 4.26Å; M128-Y155 HydrophobicContact SD-CD2 4.22Å; M128-Y155 HydrophobicContact SD-CG 3.98Å; A150-Y155 HydrophobicContact CB-CD2 4.43Å; A150-Y155 WeakPolarHBondContact O-CB 3.34Å; A150-Y155 WeakPolarHBondContact O-CD2 3.4Å; A150-Y155 PolarHBondContact O-N 3.19Å; A150-Y155 VanDerWaalsContact O-N 3.1Å; Q151-Y155 WeakPolarHBondContact CA-O 3.4Å; N153-Y155 HydrophobicContact CB-CD2 3.99Å; N153-Y155 HydrophobicContact CB-CE2 4.09Å; Y155-V202 HydrophobicContact CE1-CG2 4.28Å; Y155-V398 HydrophobicContact CE2-CG1 4.11Å; Y155-A401 VanDerWaalsContact OH-C 3.31Å; Y155-A401 WeakPolarHBondContact OH-CB 3.24Å; Y155-N402 PolarHBondContact OH-N 3.32Å; Y155-N402 PolarHBondContact OH-OD1 3.48Å | ||
| 156 | R | 98.7 | Very high | 97.9 | Very high | 17 Ų | 17 | 14.7 Ų | 14.7 | 6% | 0.064 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 137.5 | 156.1 | -171.6 | -174.5 | -56.6 | 115.3 | 1.2 | 108 | L113 F114 E115 D125 I126 T127 M128 Y196 T199 | L113-R156 HydrophobicContact CD1-CG 3.94Å; F114-R156 CarbonylContact O-C 3.5Å; F114-R156 WeakPolarHBondContact O-CA 3.25Å; F114-R156 WeakPolarHBondContact O-CG 3.2Å; E115-R156 IonicContact OE2-NE 3.4Å; D125-R156 IonicContact OD1-CZ 3.68Å; D125-R156 VanDerWaalsContact OD1-CZ 3.24Å; D125-R156 IonicContact OD1-NH1 3.62Å; D125-R156 PolarHBondContact OD1-NH1 3.2Å; D125-R156 IonicContact OD1-NH2 2.87Å; D125-R156 PolarHBondContact OD1-NH2 2.91Å; D125-R156 IonicContact OD2-CZ 3.41Å; D125-R156 IonicContact OD2-NH1 3.58Å; D125-R156 PolarHBondContact OD2-NH1 3.46Å; D125-R156 IonicContact OD2-NH2 3.65Å; D125-R156 PolarHBondContact OD2-NH2 3.4Å; I126-R156 PolarHBondContact O-N 3.49Å; T127-R156 CarbonylContact C-O 3.53Å; T127-R156 VanDerWaalsContact CA-O 3.26Å; T127-R156 WeakPolarHBondContact CA-O 3.2Å; T127-R156 HydrophobicContact CG2-CB 4.16Å; T127-R156 HydrophobicContact CG2-CG 4.2Å; T127-R156 PolarHBondContact OG1-NH1 3.22Å; M128-R156 PolarHBondContact N-O 3.06Å; R156-Y196 VanDerWaalsContact CZ-CE1 3.47Å; R156-Y196 VanDerWaalsContact CZ-CG 3.47Å; R156-Y196 VanDerWaalsContact NH1-CG 3.3Å; R156-T199 PolarHBondContact NH1-OG1 2.86Å |
| 157 | C | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.2 | 178.3 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | L113 F114 M128 I130 V147 | L113-C157 CarbonylContact C-O 3.58Å; L113-C157 WeakPolarHBondContact CA-O 3.48Å; F114-C157 HydrophobicContact CB-CB 4.17Å; F114-C157 HydrophobicContact CD2-CB 4.28Å; F114-C157 PolarHBondContact N-O 2.86Å; F114-C157 PolarHBondContact O-N 3.37Å; M128-C157 CarbonylContact O-C 3.45Å; M128-C157 WeakPolarHBondContact O-CA 3.36Å; I130-C157 HydrophobicContact CD1-CB 4.01Å; V147-C157 HydrophobicContact CG1-CB 4.06Å; V147-C157 HydrophobicContact CG2-CB 4.17Å |
| 158 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 113 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | F111 L113 T127 M128 V129 I130 M188 I192 | F111-A158 HydrophobicContact CD2-CB 4.14Å; F111-A158 HydrophobicContact CE2-CB 4.27Å; L113-A158 HydrophobicContact CD1-CB 4.06Å; T127-A158 HydrophobicContact CG2-CB 4.35Å; M128-A158 PolarHBondContact O-N 2.89Å; V129-A158 HydrophobicContact CG1-CB 4.31Å; I130-A158 PolarHBondContact N-O 3.31Å; A158-M188 HydrophobicContact CB-CG 4.3Å; A158-M188 HydrophobicContact CB-SD 4.02Å; A158-I192 HydrophobicContact CB-CD1 3.73Å; A158-I192 HydrophobicContact CB-CG1 3.85Å |
| 159 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.7 | -176.9 | -171 | 0 | 0 | 0 | 0 | 110.6 | F111 D112 F114 I130 P132 I143 V147 | F111-V159 CarbonylContact C-O 3.5Å; F111-V159 WeakPolarHBondContact CA-O 3.25Å; F111-V159 WeakPolarHBondContact CB-O 3.37Å; D112-V159 PolarHBondContact N-O 3.19Å; D112-V159 PolarHBondContact O-N 3.03Å; F114-V159 HydrophobicContact CD2-CG2 4.25Å; F114-V159 HydrophobicContact CE2-CB 4.38Å; F114-V159 HydrophobicContact CE2-CG2 3.82Å; I130-V159 HydrophobicContact CB-CG1 4.39Å; I130-V159 HydrophobicContact CB-CG2 4.16Å; I130-V159 HydrophobicContact CD1-CG2 3.97Å; I130-V159 HydrophobicContact CG2-CG1 4.29Å; P132-V159 HydrophobicContact CG-CG1 3.64Å; I143-V159 HydrophobicContact CD1-CG1 4.49Å; I143-V159 HydrophobicContact CG2-CB 4.37Å; I143-V159 HydrophobicContact CG2-CG1 3.77Å; I143-V159 HydrophobicContact CG2-CG2 3.85Å; V147-V159 HydrophobicContact CG2-CG2 3.6Å |
| 160 | L | 98.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 135 | 173.5 | 178.6 | 65.1 | 0 | 0 | 0 | 111.3 | I130 P132 E184 F185 M188 | I130-L160 PolarHBondContact O-N 3.44Å; P132-L160 WeakPolarHBondContact CD-O 3.45Å; P132-L160 WeakPolarHBondContact CG-O 2.99Å; L160-E184 HydrophobicContact CD1-CB 3.77Å; L160-E184 HydrophobicContact CD2-CB 4.39Å; L160-F185 HydrophobicContact CD2-CB 4.16Å; L160-F185 HydrophobicContact CD2-CD2 4.41Å; L160-M188 HydrophobicContact CB-CE 4.15Å; L160-M188 HydrophobicContact CB-SD 4.04Å; L160-M188 PolarHBondContact N-SD 2.76Å; L160-M188 VanDerWaalsContact N-SD 3.42Å |
| 161 | N | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 116.3 | 163.5 | -56.3 | -47 | 0 | 0 | 0 | 108.1 | T110 D112 H137 S138 L163 L166 | T110-N161 WeakPolarHBondContact O-CB 3.42Å; T110-N161 PolarHBondContact O-N 3.28Å; T110-N161 WeakPolarHBondContact OG1-CB 3.38Å; T110-N161 PolarHBondContact OG1-ND2 3Å; D112-N161 PolarHBondContact OD1-ND2 2.81Å; H137-N161 HydrophobicContact CB-CB 4.01Å; H137-N161 WeakPolarHBondContact CB-OD1 3.27Å; S138-N161 WeakPolarHBondContact CB-OD1 3.36Å; S138-N161 PolarHBondContact N-OD1 2.9Å; S138-N161 PolarHBondContact OG-OD1 2.68Å; S138-N161 VanDerWaalsContact OG-OD1 3.09Å; N161-L163 PolarHBondContact O-N 3.33Å; N161-L166 HydrophobicContact CB-CD1 3.71Å; N161-L166 HydrophobicContact CB-CG 4.11Å |
| 162 | H | 98.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -57 | 137.9 | 179.5 | -77.3 | -54.3 | 0 | 0 | 0 | 110.9 | P132 G133 N136 G164 A165 F177 | P132-H162 PolarHBondContact O-NE2 2.65Å; G133-H162 PolarHBondContact O-CD2 2.9Å; G133-H162 PolarHBondContact O-NE2 3.47Å; N136-H162 PolarHBondContact O-CD2 3.48Å; N136-H162 PolarHBondContact O-N 2.95Å; H162-G164 PolarHBondContact O-N 3.46Å; H162-G164 VanDerWaalsContact O-N 3.1Å; H162-A165 HydrophobicContact CB-CB 3.84Å; H162-A165 WeakPolarHBondContact O-CB 3.36Å; H162-A165 PolarHBondContact O-N 3.07Å; H162-F177 HydrophobicContact CB-CB 4.04Å; H162-F177 HydrophobicContact CB-CD1 3.68Å; H162-F177 HydrophobicContact CB-CD2 4.26Å; H162-F177 HydrophobicContact CB-CE1 4.2Å; H162-F177 HydrophobicContact CB-CG 3.72Å; H162-F177 AromaticContact CG-CG 3.98Å |
| 163 | L | 96.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 115 | -175.4 | -177.4 | 66.7 | 0 | 0 | 0 | 110.9 | A107 N161 L171 R175 F177 | A107-L163 HydrophobicContact CB-CD1 4.45Å; A107-L163 HydrophobicContact CB-CD2 4.12Å; N161-L163 PolarHBondContact O-N 3.33Å; L163-L171 HydrophobicContact CD1-CD2 3.8Å; L163-L171 HydrophobicContact CD2-CD2 4.42Å; L163-L171 HydrophobicContact CG-CD2 3.63Å; L163-R175 HydrophobicContact CD2-CG 3.99Å; L163-R175 VanDerWaalsContact CD2-NH1 3.33Å; L163-R175 WeakPolarHBondContact CD2-O 3.31Å; L163-F177 HydrophobicContact CB-CB 4.48Å; L163-F177 WeakPolarHBondContact O-CD1 3.29Å; L163-F177 PolarHBondContact O-N 2.92Å |
| 164 | G | 95.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H162 I267 H271 | H162-G164 PolarHBondContact O-N 3.46Å; H162-G164 VanDerWaalsContact O-N 3.1Å; G164-I267 WeakPolarHBondContact O-CG2 3.33Å; G164-H271 PolarHBondContact O-NE2 2.86Å |
| 165 | A | 95.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -27.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H137 H162 | H137-A165 PolarHBondContact CD2-O 2.83Å; H162-A165 HydrophobicContact CB-CB 3.84Å; H162-A165 WeakPolarHBondContact O-CB 3.36Å; H162-A165 PolarHBondContact O-N 3.07Å |
| 166 | L | 96 | Very high | 95.5 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -77 | 128.7 | 175.7 | -79.4 | 169.2 | 0 | 0 | 0 | 110.1 | H137 E139 N161 N168 I169 | H137-L166 HydrophobicContact CB-CD2 3.83Å; H137-L166 HydrophobicContact CB-CG 3.95Å; H137-L166 WeakPolarHBondContact ND1-CD2 3.18Å; E139-L166 HydrophobicContact CG-CD2 4.34Å; N161-L166 HydrophobicContact CB-CD1 3.71Å; N161-L166 HydrophobicContact CB-CG 4.11Å; L166-N168 VanDerWaalsContact C-N 3.27Å; L166-N168 PolarHBondContact O-N 3.05Å; L166-I169 HydrophobicContact CB-CB 4.01Å; L166-I169 HydrophobicContact CB-CG1 3.81Å; L166-I169 HydrophobicContact CD1-CG1 3.81Å; L166-I169 HydrophobicContact CG-CG1 4.47Å; L166-I169 PolarHBondContact O-N 3.28Å |
| 167 | P | 91.4 | Very high | 95.4 | Very high | 97 Ų | 97 | 29.8 Ų | 29.8 | 63% | 0.63 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -24.3 | -175 | 26.3 | -34.7 | 0 | 0 | 0 | 114 | ||
| 168 | N | 91.5 | Very high | 95.3 | Very high | 142 Ų | 142 | 29.9 Ų | 29.9 | 76% | 0.759 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 10.7 | -175.5 | -60 | -29.9 | 0 | 0 | 0 | 113.2 | L166 | L166-N168 VanDerWaalsContact C-N 3.27Å; L166-N168 PolarHBondContact O-N 3.05Å |
| 169 | I | 94.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 31.6 Ų | 31.6 | 21% | 0.205 | 17% | 0.174 | C | C | . | . | trans | -120.5 | 116.1 | 179.3 | -57.7 | -62.7 | 0 | 0 | 0 | 108.1 | F100 T110 L166 H271 | F100-I169 HydrophobicContact CE1-CD1 4.09Å; T110-I169 HydrophobicContact CG2-CG2 4.44Å; L166-I169 HydrophobicContact CB-CB 4.01Å; L166-I169 HydrophobicContact CB-CG1 3.81Å; L166-I169 HydrophobicContact CD1-CG1 3.81Å; L166-I169 HydrophobicContact CG-CG1 4.47Å; L166-I169 PolarHBondContact O-N 3.28Å; I169-H271 PolarHBondContact O-CE1 2.8Å | ||
| 170 | E | 93.7 | Very high | 95.1 | Very high | 165 Ų | 165 | 31.6 Ų | 31.6 | 77% | 0.771 | 17% | 0.174 | S | C | * | . | trans | -74.9 | 151.1 | 177.6 | -64.2 | -174.5 | 162.5 | 0 | 0 | 111.7 | ||||
| 171 | L | 94.3 | Very high | 95 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | trans | -74.3 | 124 | 169.1 | -67.1 | 179.1 | 0 | 0 | 0 | 110.4 | L163 R175 M176 H271 A274 L275 | L163-L171 HydrophobicContact CD1-CD2 3.8Å; L163-L171 HydrophobicContact CD2-CD2 4.42Å; L163-L171 HydrophobicContact CG-CD2 3.63Å; L171-R175 WeakPolarHBondContact CD2-O 3.32Å; L171-M176 HydrophobicContact CD1-CG 3.64Å; L171-M176 HydrophobicContact CD1-SD 4.5Å; L171-H271 HydrophobicContact CD1-CB 3.58Å; L171-H271 HydrophobicContact CG-CB 4.22Å; L171-A274 HydrophobicContact CB-CB 3.92Å; L171-L275 HydrophobicContact CD1-CD1 4.16Å; L171-L275 HydrophobicContact CD1-CD2 3.69Å; L171-L275 HydrophobicContact CD1-CG 3.92Å | ||
| 172 | T | 93.4 | Very high | 95 | Very high | 79 Ų | 79 | 32 Ų | 32 | 49% | 0.485 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -97.5 | -2 | 176.6 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | G106 A107 T108 | G106-T172 PolarHBondContact O-OG1 3.14Å; G106-T172 VanDerWaalsContact O-OG1 3.12Å; A107-T172 WeakPolarHBondContact CA-OG1 3.28Å; T108-T172 WeakPolarHBondContact CB-OG1 3.25Å; T108-T172 PolarHBondContact N-OG1 3.5Å; T108-T172 PolarHBondContact OG1-OG1 3.33Å |
| 173 | S | 92 | Very high | 94.9 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -136.7 | 148.4 | 171.6 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | D105 R175 | D105-S173 WeakPolarHBondContact OD2-CB 3.26Å; D105-S173 PolarHBondContact OD2-OG 3.32Å; S173-R175 PolarHBondContact O-N 2.84Å |
| 174 | P | 91.8 | Very high | 95 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 23% | 0.227 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -76.4 | 57.5 | -177 | 33.9 | -40.3 | 0 | 0 | 0 | 112.3 | A274 V280 K282 | P174-A274 WeakPolarHBondContact CB-O 3.39Å; P174-V280 HydrophobicContact CB-CG1 3.54Å; P174-V280 HydrophobicContact CB-CG2 4.17Å; P174-V280 HydrophobicContact CG-CG1 3.82Å; P174-K282 HydrophobicContact CG-CD 3.89Å |
| 175 | R | 93.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | trans | -154.7 | 160.7 | 173.6 | 64.7 | 173.1 | -177.1 | 90.7 | 3.2 | 111.4 | D105 L163 L171 S173 E184 F311 | D105-R175 IonicContact OD1-CZ 3.34Å; D105-R175 IonicContact OD1-NE 3.6Å; D105-R175 IonicContact OD1-NH2 2.68Å; D105-R175 PolarHBondContact OD1-NH2 2.92Å; D105-R175 VanDerWaalsContact OD1-NH2 3.14Å; D105-R175 WeakPolarHBondContact OD2-CD 3.31Å; D105-R175 IonicContact OD2-CZ 3.49Å; D105-R175 IonicContact OD2-NE 3.19Å; D105-R175 PolarHBondContact OD2-NE 3.48Å; D105-R175 IonicContact OD2-NH2 3.86Å; L163-R175 HydrophobicContact CD2-CG 3.99Å; L163-R175 VanDerWaalsContact CD2-NH1 3.33Å; L163-R175 WeakPolarHBondContact CD2-O 3.31Å; L171-R175 WeakPolarHBondContact CD2-O 3.32Å; S173-R175 PolarHBondContact O-N 2.84Å; R175-E184 IonicContact CZ-OE1 2.64Å; R175-E184 IonicContact NH1-OE1 2.76Å; R175-E184 PolarHBondContact NH1-OE1 3.48Å; R175-E184 IonicContact NH1-OE2 3.74Å; R175-E184 IonicContact NH2-OE1 3.91Å; R175-E184 PolarHBondContact NH2-OE1 3.1Å; R175-F311 HydrophobicContact CB-CB 3.86Å; R175-F311 HydrophobicContact CB-CD1 3.92Å; R175-F311 HydrophobicContact CB-CD2 4.46Å; R175-F311 HydrophobicContact CB-CG 3.85Å | ||
| 176 | M | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -116.9 | 179.9 | 169.3 | -64.3 | -175.8 | 71.9 | 0 | 0 | 110.5 | L171 I267 I268 L275 F311 | L171-M176 HydrophobicContact CD1-CG 3.64Å; L171-M176 HydrophobicContact CD1-SD 4.5Å; M176-I267 HydrophobicContact CE-CG2 3.54Å; M176-I268 HydrophobicContact SD-CB 4.31Å; M176-I268 HydrophobicContact SD-CG1 3.74Å; M176-L275 HydrophobicContact CG-CD1 4.08Å; M176-L275 HydrophobicContact CG-CD2 4.36Å; M176-L275 HydrophobicContact SD-CD1 3.86Å; M176-F311 HydrophobicContact CB-CD2 4.35Å; M176-F311 HydrophobicContact CB-CE2 3.73Å; M176-F311 HydrophobicContact CB-CZ 4.33Å; M176-F311 HydrophobicContact CG-CE2 4.15Å; M176-F311 HydrophobicContact CG-CZ 4.26Å | ||
| 177 | F | 96.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | trans | -58.5 | 153.7 | 164.7 | 76.3 | -80.6 | 0 | 0 | 0 | 110.8 | I134 A135 H162 L163 L208 M264 | I134-F177 HydrophobicContact CG1-CE2 4.08Å; I134-F177 HydrophobicContact CG1-CZ 4.19Å; A135-F177 HydrophobicContact CB-CE1 3.98Å; A135-F177 HydrophobicContact CB-CZ 3.62Å; H162-F177 HydrophobicContact CB-CB 4.04Å; H162-F177 HydrophobicContact CB-CD1 3.68Å; H162-F177 HydrophobicContact CB-CD2 4.26Å; H162-F177 HydrophobicContact CB-CE1 4.2Å; H162-F177 HydrophobicContact CB-CG 3.72Å; H162-F177 AromaticContact CG-CG 3.98Å; L163-F177 HydrophobicContact CB-CB 4.48Å; L163-F177 WeakPolarHBondContact O-CD1 3.29Å; L163-F177 PolarHBondContact O-N 2.92Å; F177-L208 HydrophobicContact CE2-CD1 4.25Å; F177-M264 HydrophobicContact CE1-CE 4.42Å; F177-M264 HydrophobicContact CE1-SD 4.47Å; F177-M264 HydrophobicContact CE2-CE 4.13Å; F177-M264 HydrophobicContact CZ-CE 3.52Å; F177-M264 HydrophobicContact CZ-SD 4.11Å | ||
| 178 | T | 96.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | trans | -121.6 | 178.1 | 173.7 | 63.3 | 0 | 0 | 0 | 0 | 110.5 | G180 C181 F311 H312 Y320 E324 | T178-G180 PolarHBondContact O-N 2.81Å; T178-C181 VanDerWaalsContact OG1-CB 3.24Å; T178-C181 WeakPolarHBondContact OG1-CB 3.36Å; T178-C181 PolarHBondContact OG1-N 2.88Å; T178-F311 HydrophobicContact CG2-CB 4.48Å; T178-F311 HydrophobicContact CG2-CD2 4.39Å; T178-H312 PolarHBondContact OG1-CE1 3.17Å; T178-Y320 WeakPolarHBondContact CB-OH 3.39Å; T178-Y320 HydrophobicContact CG2-CE2 4.29Å; T178-E324 WeakPolarHBondContact CB-OE2 3.33Å; T178-E324 PolarHBondContact OG1-OE1 3.09Å; T178-E324 PolarHBondContact OG1-OE2 2.76Å | ||
| 179 | Y | 96 | Very high | 96.1 | Very high | 36 Ų | 36 | 26.6 Ų | 26.6 | 14% | 0.141 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -58.3 | -31.6 | -176.6 | 177.7 | -105.5 | 0 | 0 | 0 | 114.4 | L208 N211 A239 Y320 E324 | Y179-L208 HydrophobicContact CD2-CD1 3.98Å; Y179-L208 HydrophobicContact CD2-CG 4.2Å; Y179-N211 WeakPolarHBondContact CD1-ND2 3.36Å; Y179-N211 HydrophobicContact CE1-CB 4.26Å; Y179-N211 WeakPolarHBondContact CE1-ND2 3.14Å; Y179-N211 WeakPolarHBondContact CE1-OD1 3.16Å; Y179-N211 HydrophobicContact CE2-CB 4.48Å; Y179-N211 PolarHBondContact O-ND2 3.11Å; Y179-A239 HydrophobicContact CD1-CB 3.69Å; Y179-A239 HydrophobicContact CE1-CB 3.49Å; Y179-A239 VanDerWaalsContact CE1-CB 3.49Å; Y179-A239 HydrophobicContact CE2-CB 4.42Å; Y179-A239 HydrophobicContact CG-CB 4.26Å; Y179-Y320 WeakPolarHBondContact CB-OH 3.46Å; Y179-Y320 PolarHBondContact N-OH 3.21Å; Y179-E324 HydrophobicContact CD1-CB 4.12Å |
| 180 | G | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -142.9 | 21 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T178 T182 N211 K215 E324 | T178-G180 PolarHBondContact O-N 2.81Å; G180-T182 PolarHBondContact O-N 3.17Å; G180-N211 WeakPolarHBondContact CA-ND2 3.18Å; G180-K215 WeakPolarHBondContact O-CD 3.5Å; G180-K215 WeakPolarHBondContact O-CE 3.2Å; G180-K215 PolarHBondContact O-NZ 3.07Å; G180-E324 WeakPolarHBondContact CA-O 3.37Å; G180-E324 WeakPolarHBondContact CA-OE2 3.46Å; G180-E324 PolarHBondContact N-OE2 2.74Å |
| 181 | C | 96.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.034 | 12% | 0.124 | C | C | . | . | trans | -61.2 | 126.4 | 170.2 | -167.9 | 0 | 0 | 0 | 0 | 109.4 | T178 W183 E184 I212 E324 | T178-C181 VanDerWaalsContact OG1-CB 3.24Å; T178-C181 WeakPolarHBondContact OG1-CB 3.36Å; T178-C181 PolarHBondContact OG1-N 2.88Å; C181-W183 VanDerWaalsContact SG-CD2 3.59Å; C181-W183 VanDerWaalsContact SG-CG 3.54Å; C181-E184 PolarHBondContact SG-OE2 3.41Å; C181-I212 WeakPolarHBondContact O-CG2 3.46Å; C181-E324 PolarHBondContact N-OE2 2.82Å | ||
| 182 | T | 98.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | trans | -104 | -2.1 | 178.4 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | G180 F185 G186 I212 K215 E219 | G180-T182 PolarHBondContact O-N 3.17Å; T182-F185 PolarHBondContact O-N 3.12Å; T182-G186 PolarHBondContact O-N 3.37Å; T182-I212 HydrophobicContact CG2-CG2 4.45Å; T182-K215 HydrophobicContact CG2-CB 4.08Å; T182-K215 HydrophobicContact CG2-CD 4.31Å; T182-K215 HydrophobicContact CG2-CG 3.86Å; T182-E219 WeakPolarHBondContact CB-OE2 3.23Å; T182-E219 VanDerWaalsContact OG1-CD 3.31Å; T182-E219 PolarHBondContact OG1-OE1 3.32Å; T182-E219 VanDerWaalsContact OG1-OE1 3.12Å; T182-E219 PolarHBondContact OG1-OE2 2.91Å | ||
| 183 | W | 97.7 | Very high | 97 | Very high | 126 Ų | 126 | 21.5 Ų | 21.5 | 48% | 0.477 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -65.2 | -50.9 | -171.1 | -55.9 | -14.7 | 0 | 0 | 0 | 112.2 | M103 C181 F185 G186 A187 H312 | M103-W183 HydrophobicContact CE-CB 3.77Å; C181-W183 VanDerWaalsContact SG-CD2 3.59Å; C181-W183 VanDerWaalsContact SG-CG 3.54Å; W183-F185 VanDerWaalsContact C-N 3.34Å; W183-F185 PolarHBondContact O-N 2.79Å; W183-G186 PolarHBondContact O-N 3.41Å; W183-A187 WeakPolarHBondContact O-CB 3.47Å; W183-A187 PolarHBondContact O-N 3.43Å; W183-H312 AromaticContact CH2-CD2 3.5Å; W183-H312 AromaticContact CH2-NE2 3.73Å; W183-H312 AromaticContact CZ3-CD2 3.69Å; W183-H312 AromaticContact CZ3-NE2 3.52Å |
| 184 | E | 98.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | -179.1 | -67.4 | 65.7 | -137.3 | 0 | 0 | 111.4 | S109 L160 R175 C181 A187 M188 | S109-E184 WeakPolarHBondContact OG-CB 3.46Å; L160-E184 HydrophobicContact CD1-CB 3.77Å; L160-E184 HydrophobicContact CD2-CB 4.39Å; R175-E184 IonicContact CZ-OE1 2.64Å; R175-E184 IonicContact NH1-OE1 2.76Å; R175-E184 PolarHBondContact NH1-OE1 3.48Å; R175-E184 IonicContact NH1-OE2 3.74Å; R175-E184 IonicContact NH2-OE1 3.91Å; R175-E184 PolarHBondContact NH2-OE1 3.1Å; C181-E184 PolarHBondContact SG-OE2 3.41Å; E184-A187 PolarHBondContact O-N 2.7Å; E184-M188 PolarHBondContact O-N 3.07Å |
| 185 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 176.8 | -173.9 | -102.9 | 0 | 0 | 0 | 111.4 | V129 C131 L160 T182 W183 A187 M188 V189 V203 I212 V213 Y216 | V129-F185 HydrophobicContact CB-CE2 4.35Å; V129-F185 HydrophobicContact CB-CZ 4.18Å; V129-F185 HydrophobicContact CG2-CZ 3.92Å; C131-F185 HydrophobicContact CB-CD2 3.94Å; C131-F185 HydrophobicContact CB-CE2 3.98Å; L160-F185 HydrophobicContact CD2-CB 4.16Å; L160-F185 HydrophobicContact CD2-CD2 4.41Å; T182-F185 PolarHBondContact O-N 3.12Å; W183-F185 VanDerWaalsContact C-N 3.34Å; W183-F185 PolarHBondContact O-N 2.79Å; F185-A187 VanDerWaalsContact C-N 3.31Å; F185-A187 PolarHBondContact O-N 3.15Å; F185-M188 HydrophobicContact CD2-CE 3.71Å; F185-M188 HydrophobicContact CE2-CE 3.57Å; F185-M188 WeakPolarHBondContact O-CB 3.27Å; F185-M188 PolarHBondContact O-N 3.04Å; F185-V189 HydrophobicContact CD1-CG2 4.06Å; F185-V189 HydrophobicContact CE1-CG2 3.62Å; F185-V189 HydrophobicContact CE2-CG2 4.41Å; F185-V189 HydrophobicContact CZ-CG2 3.81Å; F185-V189 WeakPolarHBondContact O-CG2 3.38Å; F185-V189 PolarHBondContact O-N 3.41Å; F185-V203 HydrophobicContact CE1-CG1 4.31Å; F185-V203 HydrophobicContact CZ-CG1 3.94Å; F185-I212 HydrophobicContact CB-CG2 3.92Å; F185-I212 HydrophobicContact CG-CG2 4.26Å; F185-V213 HydrophobicContact CD1-CG1 4.42Å; F185-V213 HydrophobicContact CD2-CG1 4.35Å; F185-V213 HydrophobicContact CE1-CB 4.44Å; F185-V213 HydrophobicContact CE1-CG1 3.89Å; F185-V213 HydrophobicContact CE2-CG1 3.81Å; F185-V213 HydrophobicContact CZ-CB 4.47Å; F185-V213 HydrophobicContact CZ-CG1 3.58Å; F185-Y216 AromaticContact CD1-CD1 3.72Å; F185-Y216 HydrophobicContact CD1-CD1 3.72Å; F185-Y216 HydrophobicContact CD1-CD2 4.29Å; F185-Y216 HydrophobicContact CD1-CE1 4.25Å; F185-Y216 AromaticContact CD1-CG 3.73Å; F185-Y216 HydrophobicContact CD1-CG 3.73Å; F185-Y216 AromaticContact CE1-CD1 3.57Å; F185-Y216 HydrophobicContact CE1-CD1 3.57Å; F185-Y216 HydrophobicContact CE1-CE1 4.01Å; F185-Y216 HydrophobicContact CE1-CG 4.08Å |
| 186 | G | 98.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 33 Ų | 33 | 7% | 0.072 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T182 W183 V189 N190 Y216 | T182-G186 PolarHBondContact O-N 3.37Å; W183-G186 PolarHBondContact O-N 3.41Å; G186-V189 PolarHBondContact O-N 3.19Å; G186-N190 WeakPolarHBondContact O-CB 3.41Å; G186-N190 VanDerWaalsContact O-CG 3.22Å; G186-N190 PolarHBondContact O-N 3.29Å; G186-N190 PolarHBondContact O-ND2 3.33Å; G186-Y216 VanDerWaalsContact CA-CE2 3.46Å |
| 187 | A | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I101 M103 W183 E184 F185 N190 Y191 | I101-A187 HydrophobicContact CD1-CB 4.08Å; I101-A187 WeakPolarHBondContact CD1-O 3.36Å; I101-A187 HydrophobicContact CG2-CB 4.28Å; M103-A187 HydrophobicContact CE-CB 4.07Å; M103-A187 HydrophobicContact SD-CB 3.79Å; W183-A187 WeakPolarHBondContact O-CB 3.47Å; W183-A187 PolarHBondContact O-N 3.43Å; E184-A187 PolarHBondContact O-N 2.7Å; F185-A187 VanDerWaalsContact C-N 3.31Å; F185-A187 PolarHBondContact O-N 3.15Å; A187-N190 PolarHBondContact O-N 3.26Å; A187-Y191 WeakPolarHBondContact O-CB 3.27Å; A187-Y191 PolarHBondContact O-N 3.39Å |
| 188 | M | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -48.5 | 173.5 | 179.3 | -176.9 | 75.3 | 0 | 0 | 111.4 | F111 V129 A158 L160 E184 F185 N190 Y191 I192 | F111-M188 HydrophobicContact CB-CG 3.94Å; F111-M188 HydrophobicContact CB-SD 3.5Å; F111-M188 WeakPolarHBondContact CB-SD 3.26Å; F111-M188 HydrophobicContact CD1-CB 4.14Å; F111-M188 HydrophobicContact CD1-CG 3.83Å; F111-M188 HydrophobicContact CD2-CG 3.78Å; F111-M188 HydrophobicContact CD2-SD 3.94Å; F111-M188 HydrophobicContact CE1-CG 4.25Å; F111-M188 HydrophobicContact CE2-CG 4.2Å; F111-M188 HydrophobicContact CG-CB 4.3Å; F111-M188 HydrophobicContact CG-CG 3.58Å; F111-M188 HydrophobicContact CG-SD 3.76Å; F111-M188 HydrophobicContact CZ-CG 4.41Å; V129-M188 HydrophobicContact CB-CE 4Å; V129-M188 HydrophobicContact CG1-CE 4.42Å; A158-M188 HydrophobicContact CB-CG 4.3Å; A158-M188 HydrophobicContact CB-SD 4.02Å; L160-M188 HydrophobicContact CB-CE 4.15Å; L160-M188 HydrophobicContact CB-SD 4.04Å; L160-M188 PolarHBondContact N-SD 2.76Å; L160-M188 VanDerWaalsContact N-SD 3.42Å; E184-M188 PolarHBondContact O-N 3.07Å; F185-M188 HydrophobicContact CD2-CE 3.71Å; F185-M188 HydrophobicContact CE2-CE 3.57Å; F185-M188 WeakPolarHBondContact O-CB 3.27Å; F185-M188 PolarHBondContact O-N 3.04Å; M188-N190 VanDerWaalsContact C-N 3.33Å; M188-N190 PolarHBondContact O-N 2.92Å; M188-Y191 WeakPolarHBondContact O-CB 3.47Å; M188-Y191 PolarHBondContact O-N 2.77Å; M188-I192 WeakPolarHBondContact O-CG1 3.32Å; M188-I192 PolarHBondContact O-N 2.77Å |
| 189 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 178.7 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | V129 F185 G186 Y191 I192 K193 L201 Y216 | V129-V189 HydrophobicContact CB-CG2 4.24Å; V129-V189 HydrophobicContact CG1-CG2 4.27Å; V129-V189 HydrophobicContact CG2-CG2 4.12Å; F185-V189 HydrophobicContact CD1-CG2 4.06Å; F185-V189 HydrophobicContact CE1-CG2 3.62Å; F185-V189 HydrophobicContact CE2-CG2 4.41Å; F185-V189 HydrophobicContact CZ-CG2 3.81Å; F185-V189 WeakPolarHBondContact O-CG2 3.38Å; F185-V189 PolarHBondContact O-N 3.41Å; G186-V189 PolarHBondContact O-N 3.19Å; V189-Y191 PolarHBondContact O-N 3.4Å; V189-I192 PolarHBondContact O-N 3.29Å; V189-K193 HydrophobicContact CG1-CD 4.13Å; V189-K193 HydrophobicContact CG1-CG 4.42Å; V189-K193 WeakPolarHBondContact O-CG 3.49Å; V189-K193 PolarHBondContact O-N 2.87Å; V189-L201 HydrophobicContact CG1-CD1 3.8Å; V189-Y216 HydrophobicContact CG1-CE1 4.35Å; V189-Y216 WeakPolarHBondContact CG1-OH 3.21Å; V189-Y216 HydrophobicContact CG2-CE1 4.22Å |
| 190 | N | 98.3 | Very high | 98 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 49% | 0.492 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65 | -38.6 | 178.3 | -73.5 | -21.7 | 0 | 0 | 0 | 112.3 | G186 A187 M188 I192 K194 | G186-N190 WeakPolarHBondContact O-CB 3.41Å; G186-N190 VanDerWaalsContact O-CG 3.22Å; G186-N190 PolarHBondContact O-N 3.29Å; G186-N190 PolarHBondContact O-ND2 3.33Å; A187-N190 PolarHBondContact O-N 3.26Å; M188-N190 VanDerWaalsContact C-N 3.33Å; M188-N190 PolarHBondContact O-N 2.92Å; N190-I192 VanDerWaalsContact C-N 3.35Å; N190-K194 WeakPolarHBondContact O-CB 3.46Å; N190-K194 PolarHBondContact O-N 2.83Å |
| 191 | Y | 98.6 | Very high | 98.1 | Very high | 70 Ų | 70 | 45.7 Ų | 45.7 | 28% | 0.275 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.3 | -50.3 | 172 | -179.9 | -74.1 | 0 | 0 | 0 | 110.3 | I101 F111 A187 M188 V189 K194 T195 | I101-Y191 HydrophobicContact CD1-CD2 4.38Å; I101-Y191 HydrophobicContact CD1-CG 4.46Å; I101-Y191 HydrophobicContact CG1-CD2 4.41Å; F111-Y191 HydrophobicContact CE1-CD1 4.14Å; F111-Y191 HydrophobicContact CE1-CD2 4.42Å; F111-Y191 HydrophobicContact CE1-CG 4.05Å; F111-Y191 HydrophobicContact CE2-CD1 4.44Å; F111-Y191 AromaticContact CZ-CD1 3.45Å; F111-Y191 HydrophobicContact CZ-CD1 3.45Å; F111-Y191 VanDerWaalsContact CZ-CD1 3.45Å; F111-Y191 HydrophobicContact CZ-CD2 4.45Å; F111-Y191 AromaticContact CZ-CE1 3.79Å; F111-Y191 HydrophobicContact CZ-CE1 3.79Å; F111-Y191 AromaticContact CZ-CG 3.85Å; F111-Y191 HydrophobicContact CZ-CG 3.85Å; A187-Y191 WeakPolarHBondContact O-CB 3.27Å; A187-Y191 PolarHBondContact O-N 3.39Å; M188-Y191 WeakPolarHBondContact O-CB 3.47Å; M188-Y191 PolarHBondContact O-N 2.77Å; V189-Y191 PolarHBondContact O-N 3.4Å; Y191-K194 PolarHBondContact O-N 2.88Å; Y191-T195 HydrophobicContact CE1-CG2 4.38Å; Y191-T195 VanDerWaalsContact CE1-OG1 3.23Å; Y191-T195 WeakPolarHBondContact CE1-OG1 3.37Å; Y191-T195 WeakPolarHBondContact O-CB 3.35Å; Y191-T195 PolarHBondContact O-N 2.92Å; Y191-T195 PolarHBondContact O-OG1 3.28Å; Y191-T195 VanDerWaalsContact O-OG1 3.11Å |
| 192 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -49.3 | -179.2 | -65.4 | -59.1 | 0 | 0 | 0 | 111.4 | F111 L113 T127 V129 A158 M188 V189 N190 K194 T195 Y196 T199 L201 | F111-I192 HydrophobicContact CE2-CD1 4.1Å; F111-I192 HydrophobicContact CZ-CD1 4.45Å; L113-I192 HydrophobicContact CD1-CD1 3.7Å; T127-I192 HydrophobicContact CG2-CG2 3.77Å; V129-I192 HydrophobicContact CG1-CG1 4.36Å; A158-I192 HydrophobicContact CB-CD1 3.73Å; A158-I192 HydrophobicContact CB-CG1 3.85Å; M188-I192 WeakPolarHBondContact O-CG1 3.32Å; M188-I192 PolarHBondContact O-N 2.77Å; V189-I192 PolarHBondContact O-N 3.29Å; N190-I192 VanDerWaalsContact C-N 3.35Å; I192-K194 PolarHBondContact O-N 2.85Å; I192-T195 PolarHBondContact O-N 3.29Å; I192-Y196 HydrophobicContact CD1-CE2 4.38Å; I192-Y196 HydrophobicContact CG2-CD2 4.4Å; I192-Y196 PolarHBondContact O-N 3.22Å; I192-T199 HydrophobicContact CG2-CG2 3.95Å; I192-L201 HydrophobicContact CG2-CD2 3.91Å |
| 193 | K | 98.2 | Very high | 98.2 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 13% | 0.13 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.8 | -35.2 | 177.7 | -74 | 179.8 | 172.7 | -175.9 | 0 | 112.5 | V189 L201 E225 | V189-K193 HydrophobicContact CG1-CD 4.13Å; V189-K193 HydrophobicContact CG1-CG 4.42Å; V189-K193 WeakPolarHBondContact O-CG 3.49Å; V189-K193 PolarHBondContact O-N 2.87Å; K193-L201 HydrophobicContact CD-CD1 4.35Å; K193-L201 VanDerWaalsContact CE-CD1 3.48Å; K193-L201 HydrophobicContact CG-CD1 4.02Å; K193-E225 WeakPolarHBondContact CE-O 3.37Å; K193-E225 PolarHBondContact NZ-O 3.42Å |
| 194 | K | 98 | Very high | 98.3 | Very high | 180 Ų | 180 | 39.1 Ų | 39.1 | 78% | 0.783 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -77.5 | -42.4 | 178.7 | -175.3 | 180 | 179 | -180 | 0 | 112.4 | N190 Y191 I192 | N190-K194 WeakPolarHBondContact O-CB 3.46Å; N190-K194 PolarHBondContact O-N 2.83Å; Y191-K194 PolarHBondContact O-N 2.88Å; I192-K194 PolarHBondContact O-N 2.85Å |
| 195 | T | 98.2 | Very high | 98.3 | Very high | 62 Ų | 62 | 38.8 Ų | 38.8 | 38% | 0.38 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -73.9 | -32.9 | -178.1 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | Y191 I192 P197 | Y191-T195 HydrophobicContact CE1-CG2 4.38Å; Y191-T195 VanDerWaalsContact CE1-OG1 3.23Å; Y191-T195 WeakPolarHBondContact CE1-OG1 3.37Å; Y191-T195 WeakPolarHBondContact O-CB 3.35Å; Y191-T195 PolarHBondContact O-N 2.92Å; Y191-T195 PolarHBondContact O-OG1 3.28Å; Y191-T195 VanDerWaalsContact O-OG1 3.11Å; I192-T195 PolarHBondContact O-N 3.29Å; T195-P197 WeakPolarHBondContact O-CD 3.45Å |
| 196 | Y | 97.9 | Very high | 98.3 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | trans | -125.8 | 77.9 | -179.3 | -53.6 | -82 | 0 | 0 | 0 | 110.2 | L113 E115 R156 I192 L198 T199 | L113-Y196 HydrophobicContact CD2-CE2 4.11Å; L113-Y196 WeakPolarHBondContact CD2-OH 3.1Å; E115-Y196 PolarHBondContact OE1-OH 3.49Å; E115-Y196 VanDerWaalsContact OE1-OH 3.1Å; R156-Y196 VanDerWaalsContact CZ-CE1 3.47Å; R156-Y196 VanDerWaalsContact CZ-CG 3.47Å; R156-Y196 VanDerWaalsContact NH1-CG 3.3Å; I192-Y196 HydrophobicContact CD1-CE2 4.38Å; I192-Y196 HydrophobicContact CG2-CD2 4.4Å; I192-Y196 PolarHBondContact O-N 3.22Å; Y196-L198 PolarHBondContact O-N 3.44Å; Y196-L198 VanDerWaalsContact O-N 3.09Å; Y196-T199 WeakPolarHBondContact O-CB 3.36Å; Y196-T199 WeakPolarHBondContact O-CG2 3.36Å; Y196-T199 PolarHBondContact O-N 3.17Å | ||
| 197 | P | 97 | Very high | 98.2 | Very high | 82 Ų | 82 | 39.2 Ų | 39.2 | 53% | 0.532 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.6 | -171.8 | -26.3 | 36 | 0 | 0 | 0 | 115.1 | T195 K226 | T195-P197 WeakPolarHBondContact O-CD 3.45Å; P197-K226 PolarHBondContact O-NZ 2.94Å |
| 198 | L | 95.6 | Very high | 98.1 | Very high | 155 Ų | 155 | 38.9 Ų | 38.9 | 81% | 0.812 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -8.6 | 178.4 | -59.1 | -179.9 | 0 | 0 | 0 | 113.1 | Y196 | Y196-L198 PolarHBondContact O-N 3.44Å; Y196-L198 VanDerWaalsContact O-N 3.09Å |
| 199 | T | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -70.3 | 137 | -174.8 | -155.3 | 0 | 0 | 0 | 0 | 111.3 | D125 T127 R156 I192 Y196 L201 | D125-T199 VanDerWaalsContact O-CA 3.26Å; D125-T199 WeakPolarHBondContact O-CA 3.49Å; D125-T199 PolarHBondContact O-OG1 3.09Å; D125-T199 WeakPolarHBondContact OD1-CB 3.29Å; D125-T199 PolarHBondContact OD1-OG1 2.48Å; T127-T199 PolarHBondContact N-OG1 3.28Å; T127-T199 PolarHBondContact OG1-OG1 3.22Å; R156-T199 PolarHBondContact NH1-OG1 2.86Å; I192-T199 HydrophobicContact CG2-CG2 3.95Å; Y196-T199 WeakPolarHBondContact O-CB 3.36Å; Y196-T199 WeakPolarHBondContact O-CG2 3.36Å; Y196-T199 PolarHBondContact O-N 3.17Å; T199-L201 HydrophobicContact CG2-CD2 3.9Å | ||
| 200 | Q | 98 | Very high | 98.1 | Very high | 72 Ų | 72 | 38.8 Ų | 38.8 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 157.1 | 162.8 | -61.4 | -71.5 | 39.1 | 0 | 0 | 109.9 | D125 I126 T127 K226 L228 | D125-Q200 PolarHBondContact O-N 3.3Å; I126-Q200 WeakPolarHBondContact CA-O 3.5Å; I126-Q200 HydrophobicContact CG1-CB 4.41Å; T127-Q200 PolarHBondContact N-O 3.29Å; Q200-K226 VanDerWaalsContact OE1-CA 3.28Å; Q200-K226 VanDerWaalsContact OE1-CB 3.25Å; Q200-K226 PolarHBondContact OE1-O 3.36Å; Q200-L228 HydrophobicContact CB-CD1 3.62Å; Q200-L228 HydrophobicContact CB-CD2 4.21Å; Q200-L228 HydrophobicContact CB-CG 3.78Å; Q200-L228 HydrophobicContact CG-CD1 4.4Å; Q200-L228 HydrophobicContact CG-CD2 4.33Å; Q200-L228 HydrophobicContact CG-CG 4.43Å |
| 201 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134 | -171.5 | -57.8 | -178.8 | 0 | 0 | 0 | 112.1 | T127 V129 V189 I192 K193 T199 K226 V227 L228 | T127-L201 WeakPolarHBondContact O-CA 3.37Å; V129-L201 HydrophobicContact CG1-CD2 4.22Å; V189-L201 HydrophobicContact CG1-CD1 3.8Å; I192-L201 HydrophobicContact CG2-CD2 3.91Å; K193-L201 HydrophobicContact CD-CD1 4.35Å; K193-L201 VanDerWaalsContact CE-CD1 3.48Å; K193-L201 HydrophobicContact CG-CD1 4.02Å; T199-L201 HydrophobicContact CG2-CD2 3.9Å; L201-K226 PolarHBondContact N-O 2.77Å; L201-V227 HydrophobicContact CB-CG2 4.17Å; L201-V227 HydrophobicContact CD1-CG2 4.32Å; L201-V227 CarbonylContact O-C 3.54Å; L201-V227 WeakPolarHBondContact O-CA 3.41Å; L201-L228 PolarHBondContact O-N 3.45Å |
| 202 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.5 | 161.6 | 172.1 | 0 | 0 | 0 | 0 | 107.1 | I126 T127 M128 V129 Y155 V204 A401 | I126-V202 HydrophobicContact CG2-CG2 3.91Å; T127-V202 PolarHBondContact O-N 2.87Å; M128-V202 CarbonylContact C-O 3.57Å; M128-V202 VanDerWaalsContact CA-O 3.26Å; M128-V202 WeakPolarHBondContact CA-O 3.05Å; M128-V202 HydrophobicContact CE-CG1 4.21Å; M128-V202 HydrophobicContact CG-CB 3.96Å; M128-V202 HydrophobicContact CG-CG1 4.12Å; V129-V202 PolarHBondContact N-O 2.94Å; Y155-V202 HydrophobicContact CE1-CG2 4.28Å; V202-V204 HydrophobicContact CG1-CG2 4.01Å; V202-A401 HydrophobicContact CG1-CB 3.95Å; V202-A401 HydrophobicContact CG2-CB 4.23Å |
| 203 | V | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.6 | -176.7 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | V129 F185 V213 L217 V227 C229 C230 V231 | V129-V203 HydrophobicContact CG2-CB 4.21Å; V129-V203 HydrophobicContact CG2-CG1 4.49Å; V129-V203 HydrophobicContact CG2-CG2 3.66Å; F185-V203 HydrophobicContact CE1-CG1 4.31Å; F185-V203 HydrophobicContact CZ-CG1 3.94Å; V203-V213 HydrophobicContact CG1-CB 3.52Å; V203-V213 HydrophobicContact CG1-CG1 3.73Å; V203-V213 HydrophobicContact CG1-CG2 4.15Å; V203-L217 HydrophobicContact CB-CD1 4.4Å; V203-L217 HydrophobicContact CG1-CD1 4.28Å; V203-L217 HydrophobicContact CG2-CD1 4.47Å; V203-L217 HydrophobicContact CG2-CD2 4.37Å; V203-V227 HydrophobicContact CB-CG1 4.49Å; V203-V227 HydrophobicContact CG2-CG1 3.72Å; V203-V227 HydrophobicContact CG2-CG2 4Å; V203-C229 PolarHBondContact N-O 2.96Å; V203-C230 HydrophobicContact CB-CB 4.18Å; V203-C230 CarbonylContact O-C 3.55Å; V203-C230 VanDerWaalsContact O-CA 3.26Å; V203-C230 WeakPolarHBondContact O-CA 3.09Å; V203-V231 PolarHBondContact O-N 3.21Å |
| 204 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.2 | -178.1 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | V129 I130 C131 F146 V202 F206 V231 V397 | V129-V204 PolarHBondContact O-N 3.49Å; I130-V204 CarbonylContact C-O 3.57Å; I130-V204 WeakPolarHBondContact CA-O 3.43Å; I130-V204 HydrophobicContact CG1-CB 4.21Å; C131-V204 PolarHBondContact N-O 3.09Å; F146-V204 HydrophobicContact CE1-CG1 4.24Å; F146-V204 HydrophobicContact CZ-CG1 4.26Å; F146-V204 HydrophobicContact CZ-CG2 4.39Å; V202-V204 HydrophobicContact CG1-CG2 4.01Å; V204-F206 HydrophobicContact CG1-CD2 4.42Å; V204-F206 HydrophobicContact CG1-CE1 4.32Å; V204-F206 HydrophobicContact CG1-CE2 3.74Å; V204-F206 HydrophobicContact CG1-CZ 3.68Å; V204-V231 CarbonylContact C-O 3.59Å; V204-V231 WeakPolarHBondContact CA-O 3.48Å; V204-V397 HydrophobicContact CG1-CG1 4.05Å; V204-V397 HydrophobicContact CG2-CG1 4.02Å |
| 205 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V231 S232 V233 | G205-V231 PolarHBondContact N-O 3.26Å; G205-S232 WeakPolarHBondContact O-CA 3.3Å; G205-V233 PolarHBondContact O-N 3.5Å |
| 206 | F | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.2 | 177.3 | -61.6 | -76.7 | 0 | 0 | 0 | 111.1 | I130 C131 P132 G133 Y142 I143 F146 V204 L208 G209 V233 L377 M393 | I130-F206 HydrophobicContact CG2-CD2 4.13Å; I130-F206 HydrophobicContact CG2-CE2 3.8Å; C131-F206 PolarHBondContact O-N 2.98Å; P132-F206 CarbonylContact C-O 3.49Å; G133-F206 WeakPolarHBondContact CA-O 3.31Å; G133-F206 PolarHBondContact N-O 2.99Å; Y142-F206 HydrophobicContact CE2-CB 4.06Å; Y142-F206 HydrophobicContact CE2-CD1 4.46Å; Y142-F206 AromaticContact CE2-CD2 3.89Å; Y142-F206 HydrophobicContact CE2-CD2 3.89Å; Y142-F206 HydrophobicContact CE2-CE2 4.45Å; Y142-F206 AromaticContact CE2-CG 3.88Å; Y142-F206 HydrophobicContact CE2-CG 3.88Å; I143-F206 HydrophobicContact CD1-CD2 4.02Å; I143-F206 HydrophobicContact CD1-CE2 4.16Å; F146-F206 HydrophobicContact CD1-CE2 4.02Å; F146-F206 AromaticContact CD1-CZ 3.92Å; F146-F206 HydrophobicContact CD1-CZ 3.92Å; F146-F206 HydrophobicContact CD2-CZ 4.29Å; F146-F206 HydrophobicContact CE1-CE2 4.26Å; F146-F206 HydrophobicContact CE1-CZ 4.09Å; F146-F206 HydrophobicContact CE2-CZ 4.46Å; F146-F206 HydrophobicContact CG-CE2 4.49Å; F146-F206 HydrophobicContact CG-CZ 4.02Å; F146-F206 HydrophobicContact CZ-CZ 4.37Å; V204-F206 HydrophobicContact CG1-CD2 4.42Å; V204-F206 HydrophobicContact CG1-CE1 4.32Å; V204-F206 HydrophobicContact CG1-CE2 3.74Å; V204-F206 HydrophobicContact CG1-CZ 3.68Å; F206-L208 PolarHBondContact O-N 3.23Å; F206-G209 WeakPolarHBondContact O-CA 3.45Å; F206-G209 PolarHBondContact O-N 3.34Å; F206-V233 HydrophobicContact CD1-CB 4.06Å; F206-V233 HydrophobicContact CD1-CG2 4.28Å; F206-V233 HydrophobicContact CE1-CB 4.46Å; F206-V233 HydrophobicContact CE1-CG2 4.22Å; F206-L377 HydrophobicContact CB-CD1 4.4Å; F206-L377 HydrophobicContact CB-CD2 4.16Å; F206-L377 HydrophobicContact CD1-CD2 4.03Å; F206-M393 HydrophobicContact CD1-CE 4.03Å; F206-M393 HydrophobicContact CD1-SD 4.01Å; F206-M393 HydrophobicContact CE1-CE 3.58Å; F206-M393 HydrophobicContact CE1-SD 3.84Å; F206-M393 HydrophobicContact CZ-CE 4.47Å |
| 207 | S | 96.9 | Very high | 98.3 | Very high | 16 Ų | 16 | 17 Ų | 17 | 11% | 0.112 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | -117.7 | 179.4 | -177 | 0 | 0 | 0 | 0 | 111.3 | G209 G210 V233 Q235 H376 | S207-G209 PolarHBondContact O-N 3.44Å; S207-G210 WeakPolarHBondContact O-CA 3.39Å; S207-G210 PolarHBondContact O-N 2.93Å; S207-V233 PolarHBondContact N-O 2.8Å; S207-Q235 WeakPolarHBondContact O-CB 3.33Å; S207-H376 WeakPolarHBondContact CB-NE2 3.39Å; S207-H376 PolarHBondContact OG-CE1 3.17Å; S207-H376 PolarHBondContact OG-NE2 3.36Å |
| 208 | L | 97.4 | Very high | 98.4 | Very high | 11 Ų | 11 | 13.2 Ų | 13.2 | 6% | 0.058 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -53.1 | -37.8 | 172.1 | -177.7 | 150.6 | 0 | 0 | 0 | 112.8 | I134 F177 Y179 F206 G210 N211 I212 | I134-L208 HydrophobicContact CB-CB 4.09Å; I134-L208 HydrophobicContact CB-CD1 3.75Å; I134-L208 HydrophobicContact CD1-CD1 4Å; I134-L208 HydrophobicContact CG1-CD1 3.77Å; F177-L208 HydrophobicContact CE2-CD1 4.25Å; Y179-L208 HydrophobicContact CD2-CD1 3.98Å; Y179-L208 HydrophobicContact CD2-CG 4.2Å; F206-L208 PolarHBondContact O-N 3.23Å; L208-G210 PolarHBondContact O-N 3.4Å; L208-N211 WeakPolarHBondContact O-CB 3.36Å; L208-N211 PolarHBondContact O-N 2.97Å; L208-I212 HydrophobicContact CD2-CD1 3.43Å; L208-I212 VanDerWaalsContact CD2-CD1 3.43Å; L208-I212 HydrophobicContact CD2-CG1 4.14Å; L208-I212 PolarHBondContact O-N 3.16Å; L208-I212 VanDerWaalsContact O-N 3.14Å |
| 209 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.8 | -29.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | C131 P132 F206 S207 N211 I212 V213 | C131-G209 WeakPolarHBondContact SG-CA 3.4Å; P132-G209 VanDerWaalsContact O-CA 3.27Å; P132-G209 WeakPolarHBondContact O-CA 3.39Å; P132-G209 PolarHBondContact O-N 2.86Å; F206-G209 WeakPolarHBondContact O-CA 3.45Å; F206-G209 PolarHBondContact O-N 3.34Å; S207-G209 PolarHBondContact O-N 3.44Å; G209-N211 VanDerWaalsContact C-N 3.34Å; G209-I212 PolarHBondContact O-N 2.85Å; G209-V213 WeakPolarHBondContact O-CG1 3.39Å; G209-V213 WeakPolarHBondContact O-CG2 3.47Å; G209-V213 PolarHBondContact O-N 2.75Å |
| 210 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | S207 L208 V213 C214 S232 Q235 | S207-G210 WeakPolarHBondContact O-CA 3.39Å; S207-G210 PolarHBondContact O-N 2.93Å; L208-G210 PolarHBondContact O-N 3.4Å; G210-V213 WeakPolarHBondContact O-CG2 3.42Å; G210-C214 WeakPolarHBondContact O-CB 3.37Å; G210-C214 PolarHBondContact O-N 2.92Å; G210-C214 PolarHBondContact O-SG 3.23Å; G210-C214 VanDerWaalsContact O-SG 3.38Å; G210-S232 WeakPolarHBondContact CA-OG 3.13Å; G210-Q235 PolarHBondContact O-OE1 3.42Å |
| 211 | N | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.3 | -47.9 | 173.2 | 179.3 | 78.3 | 0 | 0 | 0 | 111 | Y179 G180 L208 G209 V213 C214 K215 E324 C326 | Y179-N211 WeakPolarHBondContact CD1-ND2 3.36Å; Y179-N211 HydrophobicContact CE1-CB 4.26Å; Y179-N211 WeakPolarHBondContact CE1-ND2 3.14Å; Y179-N211 WeakPolarHBondContact CE1-OD1 3.16Å; Y179-N211 HydrophobicContact CE2-CB 4.48Å; Y179-N211 PolarHBondContact O-ND2 3.11Å; G180-N211 WeakPolarHBondContact CA-ND2 3.18Å; L208-N211 WeakPolarHBondContact O-CB 3.36Å; L208-N211 PolarHBondContact O-N 2.97Å; G209-N211 VanDerWaalsContact C-N 3.34Å; N211-V213 PolarHBondContact O-N 3.16Å; N211-C214 PolarHBondContact O-N 2.66Å; N211-K215 VanDerWaalsContact O-CB 3.31Å; N211-K215 WeakPolarHBondContact O-CB 3.46Å; N211-K215 PolarHBondContact O-N 2.88Å; N211-E324 PolarHBondContact ND2-O 3.29Å; N211-C326 VanDerWaalsContact O-CB 3.25Å; N211-C326 WeakPolarHBondContact O-CB 3.33Å; N211-C326 WeakPolarHBondContact OD1-CB 3.45Å; N211-C326 PolarHBondContact OD1-N 3.2Å |
| 212 | I | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | -179.7 | -70.7 | 174 | 0 | 0 | 0 | 111.5 | C181 T182 F185 L208 G209 C214 K215 Y216 | C181-I212 WeakPolarHBondContact O-CG2 3.46Å; T182-I212 HydrophobicContact CG2-CG2 4.45Å; F185-I212 HydrophobicContact CB-CG2 3.92Å; F185-I212 HydrophobicContact CG-CG2 4.26Å; L208-I212 HydrophobicContact CD2-CD1 3.43Å; L208-I212 VanDerWaalsContact CD2-CD1 3.43Å; L208-I212 HydrophobicContact CD2-CG1 4.14Å; L208-I212 PolarHBondContact O-N 3.16Å; L208-I212 VanDerWaalsContact O-N 3.14Å; G209-I212 PolarHBondContact O-N 2.85Å; I212-C214 PolarHBondContact O-N 3.3Å; I212-K215 PolarHBondContact O-N 3.04Å; I212-Y216 WeakPolarHBondContact O-CB 3.49Å; I212-Y216 PolarHBondContact O-N 3.18Å |
| 213 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.6 | -39.7 | -176.3 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | C131 F185 V203 G209 G210 N211 Y216 L217 | C131-V213 HydrophobicContact CB-CG1 3.53Å; F185-V213 HydrophobicContact CD1-CG1 4.42Å; F185-V213 HydrophobicContact CD2-CG1 4.35Å; F185-V213 HydrophobicContact CE1-CB 4.44Å; F185-V213 HydrophobicContact CE1-CG1 3.89Å; F185-V213 HydrophobicContact CE2-CG1 3.81Å; F185-V213 HydrophobicContact CZ-CB 4.47Å; F185-V213 HydrophobicContact CZ-CG1 3.58Å; V203-V213 HydrophobicContact CG1-CB 3.52Å; V203-V213 HydrophobicContact CG1-CG1 3.73Å; V203-V213 HydrophobicContact CG1-CG2 4.15Å; G209-V213 WeakPolarHBondContact O-CG1 3.39Å; G209-V213 WeakPolarHBondContact O-CG2 3.47Å; G209-V213 PolarHBondContact O-N 2.75Å; G210-V213 WeakPolarHBondContact O-CG2 3.42Å; N211-V213 PolarHBondContact O-N 3.16Å; V213-Y216 PolarHBondContact O-N 3Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 2.81Å |
| 214 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 175.7 | -74.7 | 0 | 0 | 0 | 0 | 111.4 | G210 N211 I212 G218 Q235 C326 L330 I333 | G210-C214 WeakPolarHBondContact O-CB 3.37Å; G210-C214 PolarHBondContact O-N 2.92Å; G210-C214 PolarHBondContact O-SG 3.23Å; G210-C214 VanDerWaalsContact O-SG 3.38Å; N211-C214 PolarHBondContact O-N 2.66Å; I212-C214 PolarHBondContact O-N 3.3Å; C214-G218 PolarHBondContact O-N 2.99Å; C214-G218 VanDerWaalsContact O-N 3.07Å; C214-Q235 PolarHBondContact SG-NE2 3.17Å; C214-Q235 VanDerWaalsContact SG-NE2 3.37Å; C214-C326 HydrophobicContact CB-CB 3.69Å; C214-L330 HydrophobicContact CB-CD2 3.74Å; C214-I333 HydrophobicContact CB-CD1 4.1Å; C214-I333 WeakPolarHBondContact O-CD1 3.23Å |
| 215 | K | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.6 | -50 | 174.8 | 179.7 | 166.4 | 170.3 | -76.8 | 0 | 110.7 | G180 T182 N211 I212 L217 G218 E219 E323 C326 Y329 | G180-K215 WeakPolarHBondContact O-CD 3.5Å; G180-K215 WeakPolarHBondContact O-CE 3.2Å; G180-K215 PolarHBondContact O-NZ 3.07Å; T182-K215 HydrophobicContact CG2-CB 4.08Å; T182-K215 HydrophobicContact CG2-CD 4.31Å; T182-K215 HydrophobicContact CG2-CG 3.86Å; N211-K215 VanDerWaalsContact O-CB 3.31Å; N211-K215 WeakPolarHBondContact O-CB 3.46Å; N211-K215 PolarHBondContact O-N 2.88Å; I212-K215 PolarHBondContact O-N 3.04Å; K215-L217 PolarHBondContact O-N 3.21Å; K215-G218 CarbonylContact O-C 3.45Å; K215-G218 PolarHBondContact O-N 3.48Å; K215-G218 VanDerWaalsContact O-N 3.12Å; K215-E219 WeakPolarHBondContact CE-OE1 3.29Å; K215-E219 HydrophobicContact CG-CG 4.24Å; K215-E219 IonicContact NZ-OE1 2.82Å; K215-E219 PolarHBondContact NZ-OE1 3.4Å; K215-E219 VanDerWaalsContact O-CG 3.31Å; K215-E219 WeakPolarHBondContact O-CG 3.32Å; K215-E219 PolarHBondContact O-N 2.92Å; K215-E323 WeakPolarHBondContact CE-O 3.19Å; K215-C326 HydrophobicContact CB-CB 3.97Å; K215-Y329 HydrophobicContact CD-CD2 4.36Å; K215-Y329 HydrophobicContact CD-CE2 4.07Å; K215-Y329 HydrophobicContact CG-CD1 4.42Å; K215-Y329 HydrophobicContact CG-CD2 3.96Å; K215-Y329 HydrophobicContact CG-CE2 4.07Å; K215-Y329 HydrophobicContact CG-CG 4.18Å |
| 216 | Y | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 2% | 0.024 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.6 | -50.6 | 178.7 | 171.4 | -104 | 0 | 0 | 0 | 112.2 | F185 G186 V189 I212 V213 G218 E219 N223 | F185-Y216 AromaticContact CD1-CD1 3.72Å; F185-Y216 HydrophobicContact CD1-CD1 3.72Å; F185-Y216 HydrophobicContact CD1-CD2 4.29Å; F185-Y216 HydrophobicContact CD1-CE1 4.25Å; F185-Y216 AromaticContact CD1-CG 3.73Å; F185-Y216 HydrophobicContact CD1-CG 3.73Å; F185-Y216 AromaticContact CE1-CD1 3.57Å; F185-Y216 HydrophobicContact CE1-CD1 3.57Å; F185-Y216 HydrophobicContact CE1-CE1 4.01Å; F185-Y216 HydrophobicContact CE1-CG 4.08Å; G186-Y216 VanDerWaalsContact CA-CE2 3.46Å; V189-Y216 HydrophobicContact CG1-CE1 4.35Å; V189-Y216 WeakPolarHBondContact CG1-OH 3.21Å; V189-Y216 HydrophobicContact CG2-CE1 4.22Å; I212-Y216 WeakPolarHBondContact O-CB 3.49Å; I212-Y216 PolarHBondContact O-N 3.18Å; V213-Y216 PolarHBondContact O-N 3Å; Y216-G218 VanDerWaalsContact C-N 3.32Å; Y216-G218 PolarHBondContact O-N 3.05Å; Y216-E219 PolarHBondContact O-N 3.21Å; Y216-N223 HydrophobicContact CD1-CB 4.2Å; Y216-N223 HydrophobicContact CD2-CB 4.43Å; Y216-N223 HydrophobicContact CE1-CB 3.77Å; Y216-N223 HydrophobicContact CE2-CB 4Å; Y216-N223 WeakPolarHBondContact CE2-OD1 3.45Å; Y216-N223 VanDerWaalsContact CZ-CG 3.49Å; Y216-N223 WeakPolarHBondContact O-CB 3.32Å; Y216-N223 PolarHBondContact O-ND2 3.22Å; Y216-N223 PolarHBondContact OH-OD1 3.21Å |
| 217 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -36.2 | 179.6 | -67.3 | 176.5 | 0 | 0 | 0 | 112.6 | V203 V213 K215 N223 Q224 V227 C230 I333 V335 | V203-L217 HydrophobicContact CB-CD1 4.4Å; V203-L217 HydrophobicContact CG1-CD1 4.28Å; V203-L217 HydrophobicContact CG2-CD1 4.47Å; V203-L217 HydrophobicContact CG2-CD2 4.37Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 2.81Å; K215-L217 PolarHBondContact O-N 3.21Å; L217-N223 WeakPolarHBondContact CD2-O 3.33Å; L217-Q224 HydrophobicContact CB-CG 4.18Å; L217-Q224 HydrophobicContact CD2-CG 4.07Å; L217-Q224 WeakPolarHBondContact O-CG 3.25Å; L217-Q224 PolarHBondContact O-NE2 2.88Å; L217-V227 HydrophobicContact CD2-CG1 4.41Å; L217-V227 HydrophobicContact CD2-CG2 4.04Å; L217-C230 HydrophobicContact CD1-CB 3.5Å; L217-C230 VanDerWaalsContact CD1-CB 3.5Å; L217-I333 HydrophobicContact CB-CD1 4.29Å; L217-I333 HydrophobicContact CB-CG1 4.08Å; L217-I333 HydrophobicContact CB-CG2 4.45Å; L217-V335 HydrophobicContact CD1-CG2 4.32Å |
| 218 | G | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -85.4 | -2.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | C214 K215 Y216 R332 | C214-G218 PolarHBondContact O-N 2.99Å; C214-G218 VanDerWaalsContact O-N 3.07Å; K215-G218 CarbonylContact O-C 3.45Å; K215-G218 PolarHBondContact O-N 3.48Å; K215-G218 VanDerWaalsContact O-N 3.12Å; Y216-G218 VanDerWaalsContact C-N 3.32Å; Y216-G218 PolarHBondContact O-N 3.05Å; G218-R332 VanDerWaalsContact O-CZ 3.24Å; G218-R332 PolarHBondContact O-NE 2.78Å; G218-R332 PolarHBondContact O-NH2 2.96Å |
| 219 | E | 98.5 | Very high | 98.4 | Very high | 55 Ų | 55 | 27.6 Ų | 27.6 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -72.9 | -45.2 | 175.6 | -85.5 | 169.2 | 167 | 0 | 0 | 111.9 | T182 K215 Y216 Y329 | T182-E219 WeakPolarHBondContact CB-OE2 3.23Å; T182-E219 VanDerWaalsContact OG1-CD 3.31Å; T182-E219 PolarHBondContact OG1-OE1 3.32Å; T182-E219 VanDerWaalsContact OG1-OE1 3.12Å; T182-E219 PolarHBondContact OG1-OE2 2.91Å; K215-E219 WeakPolarHBondContact CE-OE1 3.29Å; K215-E219 HydrophobicContact CG-CG 4.24Å; K215-E219 IonicContact NZ-OE1 2.82Å; K215-E219 PolarHBondContact NZ-OE1 3.4Å; K215-E219 VanDerWaalsContact O-CG 3.31Å; K215-E219 WeakPolarHBondContact O-CG 3.32Å; K215-E219 PolarHBondContact O-N 2.92Å; Y216-E219 PolarHBondContact O-N 3.21Å; E219-Y329 HydrophobicContact CG-CD1 3.88Å; E219-Y329 HydrophobicContact CG-CE1 3.85Å |
| 220 | T | 97.9 | Very high | 98.4 | Very high | 68 Ų | 68 | 27.6 Ų | 27.6 | 42% | 0.417 | 14% | 0.143 | S | C | . | . | trans | -146.4 | 152.8 | -179.9 | 73.2 | 0 | 0 | 0 | 0 | 111.3 | A222 N223 | T220-A222 VanDerWaalsContact C-N 3.28Å; T220-A222 PolarHBondContact O-N 3.11Å; T220-N223 PolarHBondContact O-N 3.18Å; T220-N223 PolarHBondContact OG1-N 2.75Å; T220-N223 PolarHBondContact OG1-ND2 2.95Å; T220-N223 PolarHBondContact OG1-OD1 3.38Å | ||
| 221 | Q | 97.3 | Very high | 98.4 | Very high | 110 Ų | 110 | 27.6 Ų | 27.6 | 51% | 0.514 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -65.4 | -33.1 | 174.7 | -168.8 | 60.8 | 35.6 | 0 | 0 | 112.3 | N223 Q224 | Q221-N223 PolarHBondContact O-N 3.2Å; Q221-Q224 WeakPolarHBondContact O-CB 3.35Å; Q221-Q224 PolarHBondContact O-N 3.31Å |
| 222 | A | 98 | Very high | 98.4 | Very high | 50 Ų | 50 | 27.6 Ų | 27.6 | 41% | 0.413 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -60.5 | -31.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T220 Q224 E225 | T220-A222 VanDerWaalsContact C-N 3.28Å; T220-A222 PolarHBondContact O-N 3.11Å; A222-Q224 PolarHBondContact O-N 3.03Å; A222-E225 WeakPolarHBondContact O-CB 3.27Å; A222-E225 WeakPolarHBondContact O-CG 3.37Å; A222-E225 PolarHBondContact O-N 2.94Å |
| 223 | N | 98.5 | Very high | 98.4 | Very high | 26 Ų | 26 | 27.5 Ų | 27.5 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -64.7 | -20.5 | 175.4 | -70.1 | -17.7 | 0 | 0 | 0 | 112.9 | Y216 L217 T220 Q221 | Y216-N223 HydrophobicContact CD1-CB 4.2Å; Y216-N223 HydrophobicContact CD2-CB 4.43Å; Y216-N223 HydrophobicContact CE1-CB 3.77Å; Y216-N223 HydrophobicContact CE2-CB 4Å; Y216-N223 WeakPolarHBondContact CE2-OD1 3.45Å; Y216-N223 VanDerWaalsContact CZ-CG 3.49Å; Y216-N223 WeakPolarHBondContact O-CB 3.32Å; Y216-N223 PolarHBondContact O-ND2 3.22Å; Y216-N223 PolarHBondContact OH-OD1 3.21Å; L217-N223 WeakPolarHBondContact CD2-O 3.33Å; T220-N223 PolarHBondContact O-N 3.18Å; T220-N223 PolarHBondContact OG1-N 2.75Å; T220-N223 PolarHBondContact OG1-ND2 2.95Å; T220-N223 PolarHBondContact OG1-OD1 3.38Å; Q221-N223 PolarHBondContact O-N 3.2Å |
| 224 | Q | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -91.8 | -7.2 | 179.4 | -62.2 | 174.6 | 63.6 | 0 | 0 | 113.3 | L217 Q221 A222 K226 V227 R332 V335 | L217-Q224 HydrophobicContact CB-CG 4.18Å; L217-Q224 HydrophobicContact CD2-CG 4.07Å; L217-Q224 WeakPolarHBondContact O-CG 3.25Å; L217-Q224 PolarHBondContact O-NE2 2.88Å; Q221-Q224 WeakPolarHBondContact O-CB 3.35Å; Q221-Q224 PolarHBondContact O-N 3.31Å; A222-Q224 PolarHBondContact O-N 3.03Å; Q224-K226 PolarHBondContact O-N 3.43Å; Q224-V227 WeakPolarHBondContact O-CB 3.49Å; Q224-V227 PolarHBondContact O-N 2.64Å; Q224-V227 VanDerWaalsContact O-N 3.11Å; Q224-R332 PolarHBondContact NE2-O 2.78Å; Q224-V335 HydrophobicContact CB-CG1 4.12Å |
| 225 | E | 97.3 | Very high | 98.2 | Very high | 123 Ų | 123 | 27.5 Ų | 27.5 | 58% | 0.575 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 135 | 175.6 | -69.6 | 174.7 | -171.8 | 0 | 0 | 110.9 | K193 A222 V227 | K193-E225 WeakPolarHBondContact CE-O 3.37Å; K193-E225 PolarHBondContact NZ-O 3.42Å; A222-E225 WeakPolarHBondContact O-CB 3.27Å; A222-E225 WeakPolarHBondContact O-CG 3.37Å; A222-E225 PolarHBondContact O-N 2.94Å; E225-V227 PolarHBondContact O-N 3.37Å |
| 226 | K | 96.6 | Very high | 98.1 | Very high | 84 Ų | 84 | 27.6 Ų | 27.6 | 37% | 0.365 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 5.8 | -176.8 | -55.6 | -174 | -179.6 | -179.4 | 0 | 115.4 | P197 Q200 L201 Q224 | P197-K226 PolarHBondContact O-NZ 2.94Å; Q200-K226 VanDerWaalsContact OE1-CA 3.28Å; Q200-K226 VanDerWaalsContact OE1-CB 3.25Å; Q200-K226 PolarHBondContact OE1-O 3.36Å; L201-K226 PolarHBondContact N-O 2.77Å; Q224-K226 PolarHBondContact O-N 3.43Å |
| 227 | V | 98.6 | Very high | 98 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 116.8 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | L201 V203 L217 Q224 E225 C229 V335 | L201-V227 HydrophobicContact CB-CG2 4.17Å; L201-V227 HydrophobicContact CD1-CG2 4.32Å; L201-V227 CarbonylContact O-C 3.54Å; L201-V227 WeakPolarHBondContact O-CA 3.41Å; V203-V227 HydrophobicContact CB-CG1 4.49Å; V203-V227 HydrophobicContact CG2-CG1 3.72Å; V203-V227 HydrophobicContact CG2-CG2 4Å; L217-V227 HydrophobicContact CD2-CG1 4.41Å; L217-V227 HydrophobicContact CD2-CG2 4.04Å; Q224-V227 WeakPolarHBondContact O-CB 3.49Å; Q224-V227 PolarHBondContact O-N 2.64Å; Q224-V227 VanDerWaalsContact O-N 3.11Å; E225-V227 PolarHBondContact O-N 3.37Å; V227-C229 WeakPolarHBondContact CG1-O 3.34Å; V227-V335 HydrophobicContact CB-CG1 4.15Å; V227-V335 HydrophobicContact CG1-CB 4.37Å; V227-V335 HydrophobicContact CG1-CG1 4.25Å; V227-V335 HydrophobicContact CG1-CG2 4Å; V227-V335 VanDerWaalsContact O-CG1 3.28Å; V227-V335 WeakPolarHBondContact O-CG1 3.31Å |
| 228 | L | 98.3 | Very high | 98 | Very high | 20 Ų | 20 | 27.4 Ų | 27.4 | 11% | 0.105 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -43.6 | 176.1 | -65.3 | 172.2 | 0 | 0 | 0 | 111.3 | I126 Q200 L201 P336 I404 E408 | I126-L228 HydrophobicContact CD1-CD1 4.46Å; I126-L228 HydrophobicContact CG1-CD1 4.34Å; I126-L228 HydrophobicContact CG2-CD1 4.32Å; Q200-L228 HydrophobicContact CB-CD1 3.62Å; Q200-L228 HydrophobicContact CB-CD2 4.21Å; Q200-L228 HydrophobicContact CB-CG 3.78Å; Q200-L228 HydrophobicContact CG-CD1 4.4Å; Q200-L228 HydrophobicContact CG-CD2 4.33Å; Q200-L228 HydrophobicContact CG-CG 4.43Å; L201-L228 PolarHBondContact O-N 3.45Å; L228-P336 VanDerWaalsContact O-CD 3.3Å; L228-P336 WeakPolarHBondContact O-CD 3.46Å; L228-I404 HydrophobicContact CB-CG2 4Å; L228-I404 WeakPolarHBondContact O-CG2 3.37Å; L228-E408 HydrophobicContact CD2-CB 4.22Å; L228-E408 HydrophobicContact CD2-CG 4Å |
| 229 | C | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 168.8 | 175.2 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | V203 V227 P336 Y400 I404 | V203-C229 PolarHBondContact N-O 2.96Å; V227-C229 WeakPolarHBondContact CG1-O 3.34Å; C229-P336 CarbonylContact C-O 3.6Å; C229-P336 WeakPolarHBondContact CA-O 3.19Å; C229-P336 HydrophobicContact CB-CB 3.96Å; C229-P336 WeakPolarHBondContact CB-O 3.48Å; C229-Y400 HydrophobicContact CB-CE1 3.95Å; C229-I404 HydrophobicContact CB-CB 4.32Å; C229-I404 HydrophobicContact CB-CG1 3.95Å; C229-I404 HydrophobicContact CB-CG2 3.92Å |
| 230 | C | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.2 | 170.6 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | V203 L217 P336 L337 M338 | V203-C230 HydrophobicContact CB-CB 4.18Å; V203-C230 CarbonylContact O-C 3.55Å; V203-C230 VanDerWaalsContact O-CA 3.26Å; V203-C230 WeakPolarHBondContact O-CA 3.09Å; L217-C230 HydrophobicContact CD1-CB 3.5Å; L217-C230 VanDerWaalsContact CD1-CB 3.5Å; C230-P336 PolarHBondContact N-O 2.96Å; C230-L337 HydrophobicContact CB-CD1 3.7Å; C230-L337 CarbonylContact O-C 3.58Å; C230-L337 WeakPolarHBondContact O-CA 3.3Å; C230-M338 PolarHBondContact O-N 3.3Å |
| 231 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.3 | 172.3 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | V203 V204 G205 V233 M338 V397 Y400 | V203-V231 PolarHBondContact O-N 3.21Å; V204-V231 CarbonylContact C-O 3.59Å; V204-V231 WeakPolarHBondContact CA-O 3.48Å; G205-V231 PolarHBondContact N-O 3.26Å; V231-V233 HydrophobicContact CG1-CG2 4.13Å; V231-M338 WeakPolarHBondContact CA-O 3.27Å; V231-M338 HydrophobicContact CB-CE 4.38Å; V231-M338 HydrophobicContact CG1-CB 4.43Å; V231-M338 HydrophobicContact CG1-CE 3.51Å; V231-M338 HydrophobicContact CG2-CB 4.37Å; V231-M338 HydrophobicContact CG2-CE 3.93Å; V231-V397 HydrophobicContact CB-CG1 4.25Å; V231-V397 HydrophobicContact CG1-CB 4.43Å; V231-V397 HydrophobicContact CG1-CG1 4.22Å; V231-V397 HydrophobicContact CG1-CG2 3.81Å; V231-V397 HydrophobicContact CG2-CG1 4.36Å; V231-Y400 HydrophobicContact CG2-CD1 3.57Å; V231-Y400 HydrophobicContact CG2-CE1 3.87Å |
| 232 | S | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.3 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | G205 G210 Q235 M338 V340 | G205-S232 WeakPolarHBondContact O-CA 3.3Å; G210-S232 WeakPolarHBondContact CA-OG 3.13Å; S232-Q235 VanDerWaalsContact CB-NE2 3.31Å; S232-Q235 WeakPolarHBondContact OG-CG 3.15Å; S232-Q235 PolarHBondContact OG-NE2 3.35Å; S232-M338 PolarHBondContact N-O 3.19Å; S232-V340 PolarHBondContact O-N 3.35Å |
| 233 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.1 | -174.4 | -169.4 | 0 | 0 | 0 | 0 | 112 | G205 F206 S207 V231 Q235 V340 L377 F379 M393 V397 | G205-V233 PolarHBondContact O-N 3.5Å; F206-V233 HydrophobicContact CD1-CB 4.06Å; F206-V233 HydrophobicContact CD1-CG2 4.28Å; F206-V233 HydrophobicContact CE1-CB 4.46Å; F206-V233 HydrophobicContact CE1-CG2 4.22Å; S207-V233 PolarHBondContact N-O 2.8Å; V231-V233 HydrophobicContact CG1-CG2 4.13Å; V233-Q235 PolarHBondContact O-N 3.08Å; V233-V340 CarbonylContact C-O 3.49Å; V233-V340 WeakPolarHBondContact CA-O 3.21Å; V233-V340 HydrophobicContact CB-CB 4.47Å; V233-V340 HydrophobicContact CG1-CB 4.12Å; V233-V340 HydrophobicContact CG1-CG1 4.31Å; V233-V340 HydrophobicContact CG2-CB 4.27Å; V233-V340 HydrophobicContact CG2-CG2 4.46Å; V233-L377 HydrophobicContact CG1-CD2 4.21Å; V233-F379 HydrophobicContact CG1-CE2 3.91Å; V233-F379 HydrophobicContact CG1-CZ 4.48Å; V233-M393 HydrophobicContact CB-CG 4.48Å; V233-M393 HydrophobicContact CB-SD 4.06Å; V233-M393 HydrophobicContact CG1-CG 3.83Å; V233-M393 HydrophobicContact CG1-SD 3.41Å; V233-M393 WeakPolarHBondContact CG1-SD 3.13Å; V233-M393 HydrophobicContact CG2-CG 4.16Å; V233-M393 HydrophobicContact CG2-SD 4.3Å; V233-V397 HydrophobicContact CG2-CG2 4.05Å |
| 234 | C | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 53.7 | 29.9 | 178.1 | -71.6 | 0 | 0 | 0 | 0 | 114.1 | V340 H376 L377 F379 | C234-V340 PolarHBondContact N-O 3.4Å; C234-H376 PolarHBondContact O-CE1 3.44Å; C234-L377 HydrophobicContact CB-CD2 3.81Å; C234-L377 HydrophobicContact CB-CG 4.17Å; C234-L377 PolarHBondContact SG-N 3.45Å; C234-F379 VanDerWaalsContact SG-CE2 3.55Å |
| 235 | Q | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -76.9 | 157.1 | 176.6 | 74.5 | 167.1 | -48.4 | 0 | 0 | 112.2 | S207 G210 C214 S232 V233 Y237 C326 N341 | S207-Q235 WeakPolarHBondContact O-CB 3.33Å; G210-Q235 PolarHBondContact O-OE1 3.42Å; C214-Q235 PolarHBondContact SG-NE2 3.17Å; C214-Q235 VanDerWaalsContact SG-NE2 3.37Å; S232-Q235 VanDerWaalsContact CB-NE2 3.31Å; S232-Q235 WeakPolarHBondContact OG-CG 3.15Å; S232-Q235 PolarHBondContact OG-NE2 3.35Å; V233-Q235 PolarHBondContact O-N 3.08Å; Q235-Y237 VanDerWaalsContact CD-CD1 3.46Å; Q235-Y237 HydrophobicContact CG-CD1 3.74Å; Q235-Y237 HydrophobicContact CG-CD2 4.23Å; Q235-Y237 HydrophobicContact CG-CE1 3.44Å; Q235-Y237 VanDerWaalsContact CG-CE1 3.44Å; Q235-Y237 HydrophobicContact CG-CE2 3.94Å; Q235-Y237 HydrophobicContact CG-CG 4.12Å; Q235-Y237 VanDerWaalsContact NE2-CE1 3.27Å; Q235-Y237 WeakPolarHBondContact O-CE2 3.44Å; Q235-C326 PolarHBondContact OE1-SG 3.04Å; Q235-N341 PolarHBondContact O-ND2 3.42Å; Q235-N341 VanDerWaalsContact O-ND2 3.11Å | ||
| 236 | G | 95.8 | Very high | 95.4 | Very high | 15 Ų | 15 | 24.5 Ų | 24.5 | 16% | 0.155 | 12% | 0.117 | C | C | . | . | trans | -94.3 | -10.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | S238 | G236-S238 PolarHBondContact O-N 3.14Š| ||
| 237 | Y | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 63 | -41 | 179.2 | -50.2 | -82.5 | 0 | 0 | 0 | 117.2 | Q235 M327 L330 L339 N341 I355 P356 | Q235-Y237 VanDerWaalsContact CD-CD1 3.46Å; Q235-Y237 HydrophobicContact CG-CD1 3.74Å; Q235-Y237 HydrophobicContact CG-CD2 4.23Å; Q235-Y237 HydrophobicContact CG-CE1 3.44Å; Q235-Y237 VanDerWaalsContact CG-CE1 3.44Å; Q235-Y237 HydrophobicContact CG-CE2 3.94Å; Q235-Y237 HydrophobicContact CG-CG 4.12Å; Q235-Y237 VanDerWaalsContact NE2-CE1 3.27Å; Q235-Y237 WeakPolarHBondContact O-CE2 3.44Å; Y237-M327 WeakPolarHBondContact O-CB 3.46Å; Y237-M327 PolarHBondContact O-N 3.07Å; Y237-M327 VanDerWaalsContact O-N 3.11Å; Y237-L330 HydrophobicContact CD1-CD1 4.13Å; Y237-L339 HydrophobicContact CE1-CD1 4.05Å; Y237-L339 HydrophobicContact CE1-CD2 4.15Å; Y237-N341 WeakPolarHBondContact CE2-OD1 3.45Å; Y237-N341 PolarHBondContact OH-OD1 2.78Å; Y237-I355 HydrophobicContact CD1-CG2 4.36Å; Y237-I355 HydrophobicContact CG-CB 4.34Å; Y237-I355 HydrophobicContact CG-CG2 4.19Å; Y237-P356 HydrophobicContact CD2-CG 4.43Å; Y237-P356 HydrophobicContact CE1-CB 4.04Å; Y237-P356 HydrophobicContact CE1-CG 4.27Å; Y237-P356 HydrophobicContact CE2-CB 4.33Å; Y237-P356 HydrophobicContact CE2-CG 3.67Å |
| 238 | S | 97.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | trans | -141.2 | 108.6 | -177.8 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | G236 L240 R241 A242 S325 | G236-S238 PolarHBondContact O-N 3.14Å; S238-L240 PolarHBondContact O-N 2.78Å; S238-R241 PolarHBondContact O-N 3.17Å; S238-R241 PolarHBondContact OG-N 3Å; S238-A242 VanDerWaalsContact O-CB 3.27Å; S238-A242 WeakPolarHBondContact O-CB 3.49Å; S238-A242 PolarHBondContact O-N 2.99Å; S238-S325 WeakPolarHBondContact CA-OG 3.47Å | ||
| 239 | A | 96.1 | Very high | 92.9 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 6% | 0.058 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y179 R241 A242 Q243 Y321 S325 | Y179-A239 HydrophobicContact CD1-CB 3.69Å; Y179-A239 HydrophobicContact CE1-CB 3.49Å; Y179-A239 VanDerWaalsContact CE1-CB 3.49Å; Y179-A239 HydrophobicContact CE2-CB 4.42Å; Y179-A239 HydrophobicContact CG-CB 4.26Å; A239-R241 VanDerWaalsContact C-N 3.35Å; A239-R241 PolarHBondContact O-N 3.28Å; A239-A242 PolarHBondContact O-N 3.23Å; A239-Q243 PolarHBondContact O-N 2.95Å; A239-Y321 HydrophobicContact CB-CD1 3.57Å; A239-Y321 HydrophobicContact CB-CD2 4.18Å; A239-Y321 HydrophobicContact CB-CE1 3.98Å; A239-Y321 HydrophobicContact CB-CG 3.66Å; A239-S325 PolarHBondContact N-OG 2.98Å |
| 240 | L | 94.7 | Very high | 91.9 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 178.9 | -175.3 | 70 | 0 | 0 | 0 | 112.1 | S238 Q243 K318 E322 | S238-L240 PolarHBondContact O-N 2.78Å; L240-Q243 VanDerWaalsContact O-CG 3.32Å; L240-Q243 WeakPolarHBondContact O-CG 3.46Å; L240-Q243 PolarHBondContact O-NE2 2.62Å; L240-K318 HydrophobicContact CD1-CG 3.99Å; L240-E322 HydrophobicContact CD2-CG 3.73Å |
| 241 | R | 94.4 | Very high | 90.9 | Very high | 111 Ų | 111 | 42.7 Ų | 42.7 | 42% | 0.419 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -76.6 | -35.5 | 175.5 | -69.1 | -179 | 174.5 | -169.2 | -0.2 | 111.9 | S238 A239 Q243 L352 | S238-R241 PolarHBondContact O-N 3.17Å; S238-R241 PolarHBondContact OG-N 3Å; A239-R241 VanDerWaalsContact C-N 3.35Å; A239-R241 PolarHBondContact O-N 3.28Å; R241-Q243 VanDerWaalsContact C-N 3.33Å; R241-Q243 PolarHBondContact O-N 3.26Å; R241-L352 HydrophobicContact CB-CD2 3.53Å |
| 242 | A | 93.8 | Very high | 90.2 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.1 | -30.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S238 A239 E244 T245 F246 L352 | S238-A242 VanDerWaalsContact O-CB 3.27Å; S238-A242 WeakPolarHBondContact O-CB 3.49Å; S238-A242 PolarHBondContact O-N 2.99Å; A239-A242 PolarHBondContact O-N 3.23Å; A242-E244 PolarHBondContact O-N 2.97Å; A242-T245 PolarHBondContact O-N 3.04Å; A242-T245 VanDerWaalsContact O-N 3.14Å; A242-T245 PolarHBondContact O-OG1 3.47Å; A242-F246 HydrophobicContact CB-CD2 4.18Å; A242-F246 HydrophobicContact CB-CE2 3.9Å; A242-F246 WeakPolarHBondContact O-CD2 3.39Å; A242-F246 PolarHBondContact O-N 2.87Å; A242-L352 HydrophobicContact CB-CD1 3.88Å; A242-L352 HydrophobicContact CB-CD2 4.41Å |
| 243 | Q | 90.7 | Very high | 89.6 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -36.6 | -179.7 | 84.1 | -175.3 | -20.2 | 0 | 0 | 112.2 | A239 L240 R241 T245 Y321 | A239-Q243 PolarHBondContact O-N 2.95Å; L240-Q243 VanDerWaalsContact O-CG 3.32Å; L240-Q243 WeakPolarHBondContact O-CG 3.46Å; L240-Q243 PolarHBondContact O-NE2 2.62Å; R241-Q243 VanDerWaalsContact C-N 3.33Å; R241-Q243 PolarHBondContact O-N 3.26Å; Q243-T245 VanDerWaalsContact C-N 3.32Å; Q243-Y321 HydrophobicContact CB-CD2 4.33Å; Q243-Y321 HydrophobicContact CB-CE2 3.77Å; Q243-Y321 HydrophobicContact CG-CE2 4.44Å |
| 244 | E | 88.6 | Confident | 89 | Confident | 132 Ų | 132 | 51.6 Ų | 51.6 | 62% | 0.617 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -69.3 | -34.9 | -179 | -64.6 | 179 | 172.4 | 0 | 0 | 110.8 | A242 | A242-E244 PolarHBondContact O-N 2.97Å |
| 245 | T | 88.6 | Confident | 88.6 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -80.6 | -30.5 | -179 | 68.2 | 0 | 0 | 0 | 0 | 112 | A242 Q243 M247 Q248 H349 | A242-T245 PolarHBondContact O-N 3.04Å; A242-T245 VanDerWaalsContact O-N 3.14Å; A242-T245 PolarHBondContact O-OG1 3.47Å; Q243-T245 VanDerWaalsContact C-N 3.32Å; T245-M247 PolarHBondContact O-N 2.85Å; T245-Q248 WeakPolarHBondContact O-CB 3.47Å; T245-Q248 PolarHBondContact O-N 2.82Å; T245-Q248 VanDerWaalsContact O-N 3.09Å; T245-H349 HydrophobicContact CG2-CB 3.69Å |
| 246 | F | 84 | Confident | 88.3 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -13.8 | 176.9 | -80.7 | -52 | 0 | 0 | 0 | 115 | A242 N257 L347 | A242-F246 HydrophobicContact CB-CD2 4.18Å; A242-F246 HydrophobicContact CB-CE2 3.9Å; A242-F246 WeakPolarHBondContact O-CD2 3.39Å; A242-F246 PolarHBondContact O-N 2.87Å; F246-N257 HydrophobicContact CB-CB 4.4Å; F246-N257 HydrophobicContact CD1-CB 4.24Å; F246-N257 PolarHBondContact O-ND2 2.92Å; F246-L347 HydrophobicContact CE1-CB 4.4Å; F246-L347 HydrophobicContact CE1-CD2 4.49Å |
| 247 | M | 80.9 | Confident | 88.1 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 34% | 0.335 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -9.4 | 174 | -66.2 | -60.2 | -178.5 | 0 | 0 | 113 | T245 M301 | T245-M247 PolarHBondContact O-N 2.85Å; M247-M301 HydrophobicContact CE-CB 4.19Å; M247-M301 HydrophobicContact CE-CE 3.47Å; M247-M301 VanDerWaalsContact CE-CE 3.47Å; M247-M301 HydrophobicContact CE-SD 3.68Å |
| 248 | Q | 81.7 | Confident | 87.8 | Confident | 77 Ų | 77 | 62.5 Ų | 62.5 | 36% | 0.36 | 28% | 0.283 | S | S | . | . | trans | -77.1 | 145.3 | 178.8 | -58.6 | 173 | -18.7 | 0 | 0 | 110.5 | T245 D250 R254 | T245-Q248 WeakPolarHBondContact O-CB 3.47Å; T245-Q248 PolarHBondContact O-N 2.82Å; T245-Q248 VanDerWaalsContact O-N 3.09Å; Q248-D250 WeakPolarHBondContact CB-OD1 3.4Å; Q248-D250 PolarHBondContact OE1-OD1 3.37Å; Q248-R254 PolarHBondContact O-N 3.29Å | ||
| 249 | W | 77.3 | Confident | 87.6 | Confident | 183 Ų | 183 | 65.8 Ų | 65.8 | 69% | 0.693 | 30% | 0.301 | S | S | * | . | trans | -87.1 | -13 | 179.5 | -73.8 | 100 | 0 | 0 | 0 | 113 | C252 R254 | W249-C252 PolarHBondContact O-N 3.17Å; W249-R254 HydrophobicContact CD2-CB 4.46Å; W249-R254 HydrophobicContact CE3-CB 4.32Å | ||
| 250 | D | 77.8 | Confident | 87.4 | Confident | 67 Ų | 67 | 67.4 Ų | 67.4 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -63.8 | 145.2 | 176.8 | 73.4 | -39.6 | 0 | 0 | 0 | 110.1 | Q248 C252 R253 | Q248-D250 WeakPolarHBondContact CB-OD1 3.4Å; Q248-D250 PolarHBondContact OE1-OD1 3.37Å; D250-C252 PolarHBondContact O-N 3.21Å; D250-R253 PolarHBondContact O-N 2.86Å; D250-R253 PolarHBondContact O-NH1 2.66Å; D250-R253 IonicContact OD1-NH1 3.81Å; D250-R253 PolarHBondContact OD1-NH1 3.21Å; D250-R253 IonicContact OD2-CZ 3.62Å; D250-R253 IonicContact OD2-NH1 3.66Å; D250-R253 PolarHBondContact OD2-NH1 3.34Å |
| 251 | Q | 79.4 | Confident | 87.4 | Confident | 104 Ų | 104 | 65.4 Ų | 65.4 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | 51 | 31.6 | -176.5 | -50 | -60.6 | -22.1 | 0 | 0 | 113.7 | H77 R253 | H77-Q251 VanDerWaalsContact CE1-C 3.47Å; H77-Q251 PolarHBondContact CE1-O 3.1Å; H77-Q251 PolarHBondContact NE2-OE1 2.72Å; H77-Q251 VanDerWaalsContact NE2-OE1 3.16Å; Q251-R253 PolarHBondContact O-N 3.33Å |
| 252 | C | 83.4 | Confident | 87.4 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | 54.4 | 21.6 | 179.3 | -55.9 | 0 | 0 | 0 | 0 | 114.8 | W249 D250 R254 F255 Y256 | W249-C252 PolarHBondContact O-N 3.17Å; D250-C252 PolarHBondContact O-N 3.21Å; C252-R254 VanDerWaalsContact C-N 3.33Å; C252-R254 PolarHBondContact O-N 3.45Å; C252-F255 HydrophobicContact CB-CB 4.37Å; C252-F255 WeakPolarHBondContact O-CA 3.26Å; C252-F255 WeakPolarHBondContact O-CB 3.28Å; C252-F255 PolarHBondContact O-N 3.4Å; C252-Y256 HydrophobicContact CB-CD2 4.35Å; C252-Y256 HydrophobicContact CB-CE2 4.15Å; C252-Y256 WeakPolarHBondContact O-CD2 3.31Å; C252-Y256 PolarHBondContact O-N 3.3Å; C252-Y256 VanDerWaalsContact O-N 3.13Å |
| 253 | R | 85.6 | Confident | 87.4 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.1 | -44.6 | -173.9 | -82.1 | -178.6 | -167.7 | 98.8 | 0.1 | 113.3 | D250 Q251 F255 Y256 N257 P346 | D250-R253 PolarHBondContact O-N 2.86Å; D250-R253 PolarHBondContact O-NH1 2.66Å; D250-R253 IonicContact OD1-NH1 3.81Å; D250-R253 PolarHBondContact OD1-NH1 3.21Å; D250-R253 IonicContact OD2-CZ 3.62Å; D250-R253 IonicContact OD2-NH1 3.66Å; D250-R253 PolarHBondContact OD2-NH1 3.34Å; Q251-R253 PolarHBondContact O-N 3.33Å; R253-F255 PolarHBondContact O-N 2.88Å; R253-Y256 PolarHBondContact O-N 3.5Å; R253-N257 WeakPolarHBondContact O-CB 3.47Å; R253-N257 PolarHBondContact O-N 3.48Å; R253-P346 WeakPolarHBondContact CD-O 3.41Å; R253-P346 WeakPolarHBondContact CG-O 3.26Å; R253-P346 PolarHBondContact NE-O 2.93Å |
| 254 | R | 87.2 | Confident | 87.6 | Confident | 109 Ų | 109 | 65 Ų | 65 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.3 | -34.7 | 175.6 | -169.9 | 171.7 | 178.7 | 168.2 | 0.6 | 113.2 | Q248 W249 C252 F258 | Q248-R254 PolarHBondContact O-N 3.29Å; W249-R254 HydrophobicContact CD2-CB 4.46Å; W249-R254 HydrophobicContact CE3-CB 4.32Å; C252-R254 VanDerWaalsContact C-N 3.33Å; C252-R254 PolarHBondContact O-N 3.45Å; R254-F258 WeakPolarHBondContact O-CB 3.43Å; R254-F258 PolarHBondContact O-N 2.79Å |
| 255 | F | 89.3 | Confident | 88 | Confident | 122 Ų | 122 | 60 Ų | 60 | 54% | 0.535 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.4 | -44.1 | 176.2 | 179.3 | -109.8 | 0 | 0 | 0 | 111.5 | C252 R253 F258 L259 | C252-F255 HydrophobicContact CB-CB 4.37Å; C252-F255 WeakPolarHBondContact O-CA 3.26Å; C252-F255 WeakPolarHBondContact O-CB 3.28Å; C252-F255 PolarHBondContact O-N 3.4Å; R253-F255 PolarHBondContact O-N 2.88Å; F255-F258 WeakPolarHBondContact O-CB 3.26Å; F255-F258 PolarHBondContact O-N 2.96Å; F255-L259 HydrophobicContact CD1-CD1 4.1Å; F255-L259 HydrophobicContact CE1-CD1 3.56Å; F255-L259 HydrophobicContact CE1-CG 4.25Å; F255-L259 HydrophobicContact CE2-CD2 4.46Å; F255-L259 HydrophobicContact CE2-CG 4.44Å; F255-L259 HydrophobicContact CZ-CD1 3.82Å; F255-L259 HydrophobicContact CZ-CD2 4.24Å; F255-L259 HydrophobicContact CZ-CG 4.16Å; F255-L259 WeakPolarHBondContact O-CG 3.33Å; F255-L259 PolarHBondContact O-N 3.39Å |
| 256 | Y | 89.8 | Confident | 88.3 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 13% | 0.125 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 173.7 | -71.9 | -74.1 | 0 | 0 | 0 | 112.5 | H77 T80 C252 R253 F258 L259 M260 P346 L347 | H77-Y256 AromaticContact ND1-CE2 3.56Å; H77-Y256 AromaticContact ND1-CZ 3.82Å; H77-Y256 PolarHBondContact ND1-OH 2.79Å; H77-Y256 VanDerWaalsContact ND1-OH 3.16Å; H77-Y256 PolarHBondContact O-OH 2.81Å; T80-Y256 HydrophobicContact CG2-CD1 4.46Å; T80-Y256 HydrophobicContact CG2-CE1 3.81Å; C252-Y256 HydrophobicContact CB-CD2 4.35Å; C252-Y256 HydrophobicContact CB-CE2 4.15Å; C252-Y256 WeakPolarHBondContact O-CD2 3.31Å; C252-Y256 PolarHBondContact O-N 3.3Å; C252-Y256 VanDerWaalsContact O-N 3.13Å; R253-Y256 PolarHBondContact O-N 3.5Å; Y256-F258 VanDerWaalsContact C-N 3.26Å; Y256-F258 PolarHBondContact O-N 3.23Å; Y256-L259 PolarHBondContact O-N 3.07Å; Y256-L259 VanDerWaalsContact O-N 3.14Å; Y256-M260 WeakPolarHBondContact O-CG 3.25Å; Y256-M260 PolarHBondContact O-N 3.26Å; Y256-P346 HydrophobicContact CD2-CB 4.33Å; Y256-P346 HydrophobicContact CE2-CB 3.79Å; Y256-P346 HydrophobicContact CE2-CG 3.99Å; Y256-L347 HydrophobicContact CD1-CD2 4.15Å; Y256-L347 HydrophobicContact CD2-CD2 3.98Å; Y256-L347 HydrophobicContact CG-CD2 3.59Å |
| 257 | N | 91.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.7 | -42.7 | 175.5 | -175.7 | 16.5 | 0 | 0 | 0 | 111 | F246 R253 M260 A261 S299 L300 | F246-N257 HydrophobicContact CB-CB 4.4Å; F246-N257 HydrophobicContact CD1-CB 4.24Å; F246-N257 PolarHBondContact O-ND2 2.92Å; R253-N257 WeakPolarHBondContact O-CB 3.47Å; R253-N257 PolarHBondContact O-N 3.48Å; N257-M260 PolarHBondContact O-N 2.93Å; N257-A261 WeakPolarHBondContact O-CB 3.24Å; N257-A261 PolarHBondContact O-N 2.88Å; N257-S299 WeakPolarHBondContact ND2-CB 3.32Å; N257-L300 PolarHBondContact OD1-N 3.3Å |
| 258 | F | 92.3 | Very high | 89.5 | Confident | 87 Ų | 87 | 62.2 Ų | 62.2 | 38% | 0.382 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 174.1 | 175.5 | -95.8 | 0 | 0 | 0 | 112.6 | R254 F255 Y256 M260 A261 D262 T298 | R254-F258 WeakPolarHBondContact O-CB 3.43Å; R254-F258 PolarHBondContact O-N 2.79Å; F255-F258 WeakPolarHBondContact O-CB 3.26Å; F255-F258 PolarHBondContact O-N 2.96Å; Y256-F258 VanDerWaalsContact C-N 3.26Å; Y256-F258 PolarHBondContact O-N 3.23Å; F258-M260 PolarHBondContact O-N 2.96Å; F258-A261 PolarHBondContact O-N 3.42Å; F258-D262 WeakPolarHBondContact O-CB 3.21Å; F258-D262 PolarHBondContact O-N 2.91Å; F258-T298 WeakPolarHBondContact CA-O 3.4Å; F258-T298 HydrophobicContact CD2-CG2 4.49Å; F258-T298 HydrophobicContact CE2-CG2 4.29Å |
| 259 | L | 92.2 | Very high | 90.2 | Very high | 71 Ų | 71 | 60.1 Ų | 60.1 | 37% | 0.372 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 178.6 | -67.6 | 179 | 0 | 0 | 0 | 112.4 | F255 Y256 D262 N263 | F255-L259 HydrophobicContact CD1-CD1 4.1Å; F255-L259 HydrophobicContact CE1-CD1 3.56Å; F255-L259 HydrophobicContact CE1-CG 4.25Å; F255-L259 HydrophobicContact CE2-CD2 4.46Å; F255-L259 HydrophobicContact CE2-CG 4.44Å; F255-L259 HydrophobicContact CZ-CD1 3.82Å; F255-L259 HydrophobicContact CZ-CD2 4.24Å; F255-L259 HydrophobicContact CZ-CG 4.16Å; F255-L259 WeakPolarHBondContact O-CG 3.33Å; F255-L259 PolarHBondContact O-N 3.39Å; Y256-L259 PolarHBondContact O-N 3.07Å; Y256-L259 VanDerWaalsContact O-N 3.14Å; L259-D262 PolarHBondContact O-N 3.32Å; L259-N263 PolarHBondContact O-N 3.43Å |
| 260 | M | 92.5 | Very high | 91 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 20% | 0.197 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 176.3 | -67.8 | 173.2 | 74.5 | 0 | 0 | 111.3 | I134 Y256 N257 F258 N263 M264 L300 L347 | I134-M260 HydrophobicContact CD1-CE 4.43Å; I134-M260 HydrophobicContact CG2-CE 3.79Å; Y256-M260 WeakPolarHBondContact O-CG 3.25Å; Y256-M260 PolarHBondContact O-N 3.26Å; N257-M260 PolarHBondContact O-N 2.93Å; F258-M260 PolarHBondContact O-N 2.96Å; M260-N263 PolarHBondContact O-N 2.86Å; M260-M264 WeakPolarHBondContact O-CB 3.21Å; M260-M264 PolarHBondContact O-N 3.32Å; M260-L300 HydrophobicContact CB-CD1 3.88Å; M260-L300 HydrophobicContact CB-CD2 4.21Å; M260-L300 HydrophobicContact CB-CG 4.16Å; M260-L300 HydrophobicContact CE-CD1 3.83Å; M260-L300 HydrophobicContact SD-CD1 4.23Å; M260-L347 HydrophobicContact SD-CD1 4Å |
| 261 | A | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N257 F258 M264 K265 L300 I303 | N257-A261 WeakPolarHBondContact O-CB 3.24Å; N257-A261 PolarHBondContact O-N 2.88Å; F258-A261 PolarHBondContact O-N 3.42Å; A261-M264 PolarHBondContact O-N 2.83Å; A261-K265 VanDerWaalsContact O-CB 3.24Å; A261-K265 WeakPolarHBondContact O-CB 3.28Å; A261-K265 PolarHBondContact O-N 2.82Å; A261-L300 HydrophobicContact CB-CD2 4.48Å; A261-L300 HydrophobicContact CB-CG 4.48Å; A261-I303 HydrophobicContact CB-CD1 3.93Å; A261-I303 WeakPolarHBondContact O-CD1 3.45Å |
| 262 | D | 94.9 | Very high | 92.4 | Very high | 46 Ų | 46 | 55 Ų | 55 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 177.1 | -173 | 62.9 | 0 | 0 | 0 | 111.9 | F258 L259 K265 K266 | F258-D262 WeakPolarHBondContact O-CB 3.21Å; F258-D262 PolarHBondContact O-N 2.91Å; L259-D262 PolarHBondContact O-N 3.32Å; D262-K265 PolarHBondContact O-N 3.44Å; D262-K266 WeakPolarHBondContact O-CG 3.23Å; D262-K266 PolarHBondContact O-N 3.45Å; D262-K266 VanDerWaalsContact OD2-CE 3.23Å; D262-K266 WeakPolarHBondContact OD2-CE 3.37Å; D262-K266 IonicContact OD2-NZ 3.14Å; D262-K266 PolarHBondContact OD2-NZ 3.31Å |
| 263 | N | 93.3 | Very high | 92.7 | Very high | 95 Ų | 95 | 58.2 Ų | 58.2 | 51% | 0.508 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 174.3 | -74.6 | -19.3 | 0 | 0 | 0 | 112 | L259 M260 K265 K266 I267 | L259-N263 PolarHBondContact O-N 3.43Å; M260-N263 PolarHBondContact O-N 2.86Å; N263-K265 VanDerWaalsContact C-N 3.35Å; N263-K265 PolarHBondContact O-N 3.46Å; N263-K266 PolarHBondContact O-N 2.84Å; N263-I267 WeakPolarHBondContact O-CG1 3.26Å; N263-I267 PolarHBondContact O-N 2.86Å |
| 264 | M | 95.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 177.6 | -178.1 | 62.4 | 75.5 | 0 | 0 | 111.4 | I134 A135 F177 M260 A261 K266 I267 I268 L300 I303 M308 | I134-M264 HydrophobicContact CD1-CE 3.51Å; I134-M264 HydrophobicContact CG1-CE 3.44Å; I134-M264 VanDerWaalsContact CG1-CE 3.44Å; A135-M264 HydrophobicContact CB-CE 4.25Å; F177-M264 HydrophobicContact CE1-CE 4.42Å; F177-M264 HydrophobicContact CE1-SD 4.47Å; F177-M264 HydrophobicContact CE2-CE 4.13Å; F177-M264 HydrophobicContact CZ-CE 3.52Å; F177-M264 HydrophobicContact CZ-SD 4.11Å; M260-M264 WeakPolarHBondContact O-CB 3.21Å; M260-M264 PolarHBondContact O-N 3.32Å; A261-M264 PolarHBondContact O-N 2.83Å; M264-K266 VanDerWaalsContact C-N 3.32Å; M264-K266 PolarHBondContact O-N 3.37Å; M264-I267 PolarHBondContact O-N 3.5Å; M264-I267 VanDerWaalsContact O-N 3.11Å; M264-I268 HydrophobicContact CG-CD1 3.84Å; M264-I268 HydrophobicContact CG-CG1 4.36Å; M264-I268 WeakPolarHBondContact O-CG1 3.29Å; M264-I268 PolarHBondContact O-N 3.29Å; M264-I268 HydrophobicContact SD-CD1 4.39Å; M264-I268 HydrophobicContact SD-CG1 4.39Å; M264-L300 HydrophobicContact CB-CD2 4.16Å; M264-I303 HydrophobicContact CB-CD1 3.99Å; M264-I303 HydrophobicContact CG-CD1 4.13Å; M264-I303 HydrophobicContact CG-CG2 3.97Å; M264-M308 HydrophobicContact CE-CE 3.93Å; M264-M308 HydrophobicContact CG-CE 3.73Å; M264-M308 HydrophobicContact SD-CE 3.25Å; M264-M308 WeakPolarHBondContact SD-CE 3.46Å |
| 265 | K | 96 | Very high | 93.1 | Very high | 28 Ų | 28 | 54 Ų | 54 | 12% | 0.122 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56 | -46.6 | 177.3 | -174.3 | -165.9 | -53.3 | -176.2 | 0 | 111.2 | A261 D262 N263 I267 I268 L269 L294 Y295 A297 I303 | A261-K265 VanDerWaalsContact O-CB 3.24Å; A261-K265 WeakPolarHBondContact O-CB 3.28Å; A261-K265 PolarHBondContact O-N 2.82Å; D262-K265 PolarHBondContact O-N 3.44Å; N263-K265 VanDerWaalsContact C-N 3.35Å; N263-K265 PolarHBondContact O-N 3.46Å; K265-I267 VanDerWaalsContact C-N 3.29Å; K265-I267 PolarHBondContact O-N 2.84Å; K265-I268 PolarHBondContact O-N 3.28Å; K265-L269 HydrophobicContact CD-CD1 4.27Å; K265-L269 HydrophobicContact CG-CD1 3.84Å; K265-L269 HydrophobicContact CG-CG 4.31Å; K265-L269 WeakPolarHBondContact O-CB 3.44Å; K265-L269 VanDerWaalsContact O-CG 3.23Å; K265-L269 WeakPolarHBondContact O-CG 3.04Å; K265-L269 PolarHBondContact O-N 2.8Å; K265-L294 HydrophobicContact CB-CD1 4.35Å; K265-L294 WeakPolarHBondContact CD-O 3.39Å; K265-L294 VanDerWaalsContact CE-O 3.25Å; K265-L294 WeakPolarHBondContact CE-O 3.48Å; K265-L294 HydrophobicContact CG-CD1 3.92Å; K265-L294 HydrophobicContact CG-CG 4.11Å; K265-Y295 PolarHBondContact NZ-O 3.19Å; K265-A297 WeakPolarHBondContact CE-O 3.48Å; K265-A297 PolarHBondContact NZ-O 2.89Å; K265-I303 HydrophobicContact CB-CD1 4.17Å |
| 266 | K | 95.7 | Very high | 93.2 | Very high | 119 Ų | 119 | 49.3 Ų | 49.3 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.7 | -41.3 | 177 | -75.5 | 165.7 | 176.3 | 160.6 | 0 | 112.3 | D262 N263 M264 L269 S270 | D262-K266 WeakPolarHBondContact O-CG 3.23Å; D262-K266 PolarHBondContact O-N 3.45Å; D262-K266 VanDerWaalsContact OD2-CE 3.23Å; D262-K266 WeakPolarHBondContact OD2-CE 3.37Å; D262-K266 IonicContact OD2-NZ 3.14Å; D262-K266 PolarHBondContact OD2-NZ 3.31Å; N263-K266 PolarHBondContact O-N 2.84Å; M264-K266 VanDerWaalsContact C-N 3.32Å; M264-K266 PolarHBondContact O-N 3.37Å; K266-L269 PolarHBondContact O-N 3.27Å; K266-S270 PolarHBondContact O-N 3.38Å |
| 267 | I | 95.3 | Very high | 93 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 20% | 0.195 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70 | -43.3 | 179.1 | -60.7 | 170.5 | 0 | 0 | 0 | 110.9 | A135 G164 M176 N263 M264 K265 L269 S270 H271 | A135-I267 HydrophobicContact CB-CD1 3.48Å; A135-I267 VanDerWaalsContact CB-CD1 3.48Å; G164-I267 WeakPolarHBondContact O-CG2 3.33Å; M176-I267 HydrophobicContact CE-CG2 3.54Å; N263-I267 WeakPolarHBondContact O-CG1 3.26Å; N263-I267 PolarHBondContact O-N 2.86Å; M264-I267 PolarHBondContact O-N 3.5Å; M264-I267 VanDerWaalsContact O-N 3.11Å; K265-I267 VanDerWaalsContact C-N 3.29Å; K265-I267 PolarHBondContact O-N 2.84Å; I267-L269 VanDerWaalsContact C-N 3.3Å; I267-L269 PolarHBondContact O-N 2.85Å; I267-S270 PolarHBondContact O-N 2.94Å; I267-S270 PolarHBondContact O-OG 3Å; I267-H271 PolarHBondContact O-CD2 3.14Å; I267-H271 VanDerWaalsContact O-CD2 3.26Å |
| 268 | I | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 175.7 | -63.1 | 164.5 | 0 | 0 | 0 | 110.2 | M176 M264 K265 S270 H271 R272 L275 F276 L294 I303 V307 M308 | M176-I268 HydrophobicContact SD-CB 4.31Å; M176-I268 HydrophobicContact SD-CG1 3.74Å; M264-I268 HydrophobicContact CG-CD1 3.84Å; M264-I268 HydrophobicContact CG-CG1 4.36Å; M264-I268 WeakPolarHBondContact O-CG1 3.29Å; M264-I268 PolarHBondContact O-N 3.29Å; M264-I268 HydrophobicContact SD-CD1 4.39Å; M264-I268 HydrophobicContact SD-CG1 4.39Å; K265-I268 PolarHBondContact O-N 3.28Å; I268-S270 VanDerWaalsContact C-N 3.32Å; I268-S270 PolarHBondContact O-N 2.94Å; I268-H271 CarbonylContact O-C 3.58Å; I268-H271 PolarHBondContact O-N 2.96Å; I268-R272 PolarHBondContact O-N 3.11Å; I268-L275 HydrophobicContact CG2-CD1 3.82Å; I268-F276 HydrophobicContact CG2-CE2 4Å; I268-F276 HydrophobicContact CG2-CZ 4.39Å; I268-L294 HydrophobicContact CB-CD2 4.03Å; I268-L294 HydrophobicContact CD1-CD1 3.94Å; I268-L294 HydrophobicContact CG2-CD2 3.41Å; I268-L294 VanDerWaalsContact CG2-CD2 3.41Å; I268-I303 HydrophobicContact CD1-CG2 3.38Å; I268-V307 HydrophobicContact CD1-CG1 4.46Å; I268-V307 HydrophobicContact CG2-CG1 4.35Å; I268-M308 HydrophobicContact CD1-CE 3.64Å; I268-M308 HydrophobicContact CD1-SD 4.02Å; I268-M308 HydrophobicContact CG1-CE 4.01Å |
| 269 | L | 95 | Very high | 91.2 | Very high | 33 Ų | 33 | 59.7 Ų | 59.7 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.5 | -26.4 | -179.3 | -69.9 | 176.1 | 0 | 0 | 0 | 113.4 | K265 K266 I267 H271 R272 L291 L294 Y295 | K265-L269 HydrophobicContact CD-CD1 4.27Å; K265-L269 HydrophobicContact CG-CD1 3.84Å; K265-L269 HydrophobicContact CG-CG 4.31Å; K265-L269 WeakPolarHBondContact O-CB 3.44Å; K265-L269 VanDerWaalsContact O-CG 3.23Å; K265-L269 WeakPolarHBondContact O-CG 3.04Å; K265-L269 PolarHBondContact O-N 2.8Å; K266-L269 PolarHBondContact O-N 3.27Å; I267-L269 VanDerWaalsContact C-N 3.3Å; I267-L269 PolarHBondContact O-N 2.85Å; L269-H271 PolarHBondContact O-N 3.21Å; L269-R272 WeakPolarHBondContact O-CB 3.32Å; L269-R272 PolarHBondContact O-N 3.26Å; L269-L291 HydrophobicContact CD2-CD1 3.79Å; L269-L294 HydrophobicContact CD2-CD2 3.84Å; L269-L294 HydrophobicContact CG-CD2 4.19Å; L269-Y295 HydrophobicContact CD1-CD1 4.04Å; L269-Y295 HydrophobicContact CD1-CE1 3.71Å; L269-Y295 HydrophobicContact CD2-CD1 4.44Å; L269-Y295 HydrophobicContact CD2-CE1 3.84Å; L269-Y295 HydrophobicContact CD2-CE2 4.43Å; L269-Y295 HydrophobicContact CG-CE1 4.46Å |
| 270 | S | 94.9 | Very high | 90.1 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 57% | 0.566 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.5 | -24.7 | 171.4 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | K266 I267 I268 | K266-S270 PolarHBondContact O-N 3.38Å; I267-S270 PolarHBondContact O-N 2.94Å; I267-S270 PolarHBondContact O-OG 3Å; I268-S270 VanDerWaalsContact C-N 3.32Å; I268-S270 PolarHBondContact O-N 2.94Å |
| 271 | H | 93.8 | Very high | 88.5 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 17.8 | 176 | -64.6 | -67.5 | 0 | 0 | 0 | 113.5 | G164 I169 L171 I267 I268 L269 Q273 A274 L275 | G164-H271 PolarHBondContact O-NE2 2.86Å; I169-H271 PolarHBondContact O-CE1 2.8Å; L171-H271 HydrophobicContact CD1-CB 3.58Å; L171-H271 HydrophobicContact CG-CB 4.22Å; I267-H271 PolarHBondContact O-CD2 3.14Å; I267-H271 VanDerWaalsContact O-CD2 3.26Å; I268-H271 CarbonylContact O-C 3.58Å; I268-H271 PolarHBondContact O-N 2.96Å; L269-H271 PolarHBondContact O-N 3.21Å; H271-Q273 PolarHBondContact O-N 3.15Å; H271-A274 PolarHBondContact O-N 3.44Å; H271-L275 HydrophobicContact CB-CD1 3.95Å; H271-L275 HydrophobicContact CB-CG 4.2Å; H271-L275 WeakPolarHBondContact O-CG 3.41Å; H271-L275 PolarHBondContact O-N 3.05Å; H271-L275 VanDerWaalsContact O-N 3.11Å |
| 272 | R | 92.1 | Very high | 86.9 | Confident | 145 Ų | 145 | 70 Ų | 70 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -52.1 | -37.6 | -173 | 70.5 | 177 | -172.2 | -88.8 | -1.8 | 113.9 | I268 L269 L275 F276 | I268-R272 PolarHBondContact O-N 3.11Å; L269-R272 WeakPolarHBondContact O-CB 3.32Å; L269-R272 PolarHBondContact O-N 3.26Å; R272-L275 PolarHBondContact O-N 2.92Å; R272-F276 HydrophobicContact CB-CD2 4.4Å; R272-F276 WeakPolarHBondContact O-CA 3.38Å; R272-F276 WeakPolarHBondContact O-CB 3.39Å; R272-F276 PolarHBondContact O-N 3.13Å |
| 273 | Q | 90.1 | Very high | 84.9 | Confident | 133 Ų | 133 | 74.5 Ų | 74.5 | 62% | 0.621 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.7 | -39 | -176.7 | -174.1 | 62.1 | 28.9 | 0 | 0 | 111.7 | H271 G277 | H271-Q273 PolarHBondContact O-N 3.15Å; Q273-G277 WeakPolarHBondContact O-CA 3.49Å; Q273-G277 PolarHBondContact O-N 2.86Å |
| 274 | A | 90.5 | Very high | 83.6 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 26% | 0.264 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -75.8 | -27.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L171 P174 H271 | L171-A274 HydrophobicContact CB-CB 3.92Å; P174-A274 WeakPolarHBondContact CB-O 3.39Å; H271-A274 PolarHBondContact O-N 3.44Å |
| 275 | L | 91.8 | Very high | 82.5 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.01 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -95.5 | -35.6 | -174.9 | -64.4 | 177.9 | 0 | 0 | 0 | 114 | L171 M176 I268 H271 R272 L286 F311 | L171-L275 HydrophobicContact CD1-CD1 4.16Å; L171-L275 HydrophobicContact CD1-CD2 3.69Å; L171-L275 HydrophobicContact CD1-CG 3.92Å; M176-L275 HydrophobicContact CG-CD1 4.08Å; M176-L275 HydrophobicContact CG-CD2 4.36Å; M176-L275 HydrophobicContact SD-CD1 3.86Å; I268-L275 HydrophobicContact CG2-CD1 3.82Å; H271-L275 HydrophobicContact CB-CD1 3.95Å; H271-L275 HydrophobicContact CB-CG 4.2Å; H271-L275 WeakPolarHBondContact O-CG 3.41Å; H271-L275 PolarHBondContact O-N 3.05Å; H271-L275 VanDerWaalsContact O-N 3.11Å; R272-L275 PolarHBondContact O-N 2.92Å; L275-L286 HydrophobicContact CB-CD1 4.25Å; L275-F311 HydrophobicContact CD1-CZ 4.27Å; L275-F311 HydrophobicContact CD2-CE1 3.87Å; L275-F311 HydrophobicContact CD2-CZ 3.99Å |
| 276 | F | 90.1 | Very high | 82 | Confident | 23 Ų | 23 | 77 Ų | 77 | 10% | 0.101 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -123.2 | 8 | -172.4 | -57 | -94 | 0 | 0 | 0 | 113.3 | I268 R272 L286 D290 L291 L294 V307 | I268-F276 HydrophobicContact CG2-CE2 4Å; I268-F276 HydrophobicContact CG2-CZ 4.39Å; R272-F276 HydrophobicContact CB-CD2 4.4Å; R272-F276 WeakPolarHBondContact O-CA 3.38Å; R272-F276 WeakPolarHBondContact O-CB 3.39Å; R272-F276 PolarHBondContact O-N 3.13Å; F276-L286 HydrophobicContact CD1-CB 3.59Å; F276-L286 HydrophobicContact CD1-CD1 4.11Å; F276-L286 HydrophobicContact CD1-CG 4.48Å; F276-L286 HydrophobicContact CE1-CB 3.62Å; F276-L286 HydrophobicContact CE1-CD1 3.65Å; F276-L286 HydrophobicContact CE1-CG 4.15Å; F276-L286 HydrophobicContact CE2-CD1 4.12Å; F276-L286 HydrophobicContact CG-CB 4.44Å; F276-L286 HydrophobicContact CZ-CB 4.48Å; F276-L286 HydrophobicContact CZ-CD1 3.66Å; F276-D290 HydrophobicContact CE1-CB 4.27Å; F276-L291 HydrophobicContact CD1-CB 3.73Å; F276-L291 HydrophobicContact CD1-CD1 4.36Å; F276-L291 HydrophobicContact CD1-CG 4.45Å; F276-L291 HydrophobicContact CD2-CD1 4.22Å; F276-L291 HydrophobicContact CE1-CB 3.74Å; F276-L291 HydrophobicContact CE1-CD1 4.24Å; F276-L291 HydrophobicContact CE2-CD1 4.12Å; F276-L291 HydrophobicContact CG-CB 4.38Å; F276-L291 HydrophobicContact CG-CD1 4.34Å; F276-L291 HydrophobicContact CZ-CB 4.43Å; F276-L291 HydrophobicContact CZ-CD1 4.12Å; F276-L294 HydrophobicContact CE2-CD2 4.23Å; F276-L294 HydrophobicContact CZ-CD2 3.95Å; F276-V307 HydrophobicContact CZ-CG2 4.42Å |
| 277 | G | 85.3 | Confident | 81.5 | Confident | 13 Ų | 13 | 76.7 Ų | 76.7 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | trans | -73.2 | 149.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q273 H279 V280 | Q273-G277 WeakPolarHBondContact O-CA 3.49Å; Q273-G277 PolarHBondContact O-N 2.86Å; G277-H279 PolarHBondContact O-N 3.24Å; G277-V280 WeakPolarHBondContact O-CB 3.39Å; G277-V280 VanDerWaalsContact O-CG2 3.3Å; G277-V280 WeakPolarHBondContact O-CG2 3.41Å; G277-V280 PolarHBondContact O-N 2.95Å | ||
| 278 | D | 76.9 | Confident | 81.1 | Confident | 162 Ų | 162 | 80.7 Ų | 80.7 | 87% | 0.866 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -21.3 | -178.9 | -60.5 | -28.9 | 0 | 0 | 0 | 114.8 | V280 | D278-V280 VanDerWaalsContact C-N 3.34Š|
| 279 | H | 69.2 | Low | 80.8 | Confident | 166 Ų | 166 | 83.9 Ų | 83.9 | 77% | 0.769 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.5 | -179.2 | -60 | -44.3 | 0 | 0 | 0 | 114.1 | G277 K281 | G277-H279 PolarHBondContact O-N 3.24Å; H279-K281 PolarHBondContact O-N 3.46Å |
| 280 | V | 69.5 | Low | 80.7 | Confident | 31 Ų | 31 | 82.4 Ų | 82.4 | 19% | 0.188 | 43% | 0.426 | C | S | . | . | trans | -74.5 | 85.7 | 179.5 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | P174 G277 D278 K282 | P174-V280 HydrophobicContact CB-CG1 3.54Å; P174-V280 HydrophobicContact CB-CG2 4.17Å; P174-V280 HydrophobicContact CG-CG1 3.82Å; G277-V280 WeakPolarHBondContact O-CB 3.39Å; G277-V280 VanDerWaalsContact O-CG2 3.3Å; G277-V280 WeakPolarHBondContact O-CG2 3.41Å; G277-V280 PolarHBondContact O-N 2.95Å; D278-V280 VanDerWaalsContact C-N 3.34Å; V280-K282 PolarHBondContact O-N 3.48Å; V280-K282 VanDerWaalsContact O-N 3.1Å | ||
| 281 | K | 58.6 | Low | 80.6 | Confident | 204 Ų | 204 | 80 Ų | 80 | 89% | 0.887 | 41% | 0.406 | S | S | * | . | trans | -80.6 | 78.8 | 176.4 | -64 | -177.2 | -178.2 | -179.3 | 0 | 111.2 | H279 | H279-K281 PolarHBondContact O-N 3.46Š| ||
| 282 | K | 61.4 | Low | 80.7 | Confident | 92 Ų | 92 | 82.5 Ų | 82.5 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | trans | -133 | 145.9 | 167.1 | -75.4 | -169.6 | -179.1 | 177.3 | 0 | 111 | P174 V280 Q284 S285 | P174-K282 HydrophobicContact CG-CD 3.89Å; V280-K282 PolarHBondContact O-N 3.48Å; V280-K282 VanDerWaalsContact O-N 3.1Å; K282-Q284 PolarHBondContact O-N 2.84Å; K282-Q284 VanDerWaalsContact O-N 3.08Å; K282-S285 WeakPolarHBondContact O-CB 3.33Å; K282-S285 PolarHBondContact O-N 2.93Å; K282-S285 VanDerWaalsContact O-N 3.11Å; K282-S285 PolarHBondContact O-OG 2.93Å | ||
| 283 | P | 53.2 | Low | 80.8 | Confident | 141 Ų | 141 | 81.6 Ų | 81.6 | 92% | 0.916 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -9.4 | 179.2 | 23.5 | -31.9 | 0 | 0 | 0 | 114.8 | ||
| 284 | Q | 64.5 | Low | 81.1 | Confident | 113 Ų | 113 | 75.3 Ų | 75.3 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 36 | 174.8 | -68.2 | 175.9 | -27.1 | 0 | 0 | 111 | K282 | K282-Q284 PolarHBondContact O-N 2.84Å; K282-Q284 VanDerWaalsContact O-N 3.08Å |
| 285 | S | 72.9 | Confident | 81.3 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 35% | 0.35 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 144.5 | 174.1 | 53.7 | 0 | 0 | 0 | 0 | 111 | K282 | K282-S285 WeakPolarHBondContact O-CB 3.33Å; K282-S285 PolarHBondContact O-N 2.93Å; K282-S285 VanDerWaalsContact O-N 3.11Å; K282-S285 PolarHBondContact O-OG 2.93Å |
| 286 | L | 85.5 | Confident | 81.5 | Confident | 19 Ų | 19 | 84.5 Ų | 84.5 | 10% | 0.099 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 137.6 | 169.9 | -65.6 | 170.3 | 0 | 0 | 0 | 109.6 | L275 F276 D290 V307 K310 F311 | L275-L286 HydrophobicContact CB-CD1 4.25Å; F276-L286 HydrophobicContact CD1-CB 3.59Å; F276-L286 HydrophobicContact CD1-CD1 4.11Å; F276-L286 HydrophobicContact CD1-CG 4.48Å; F276-L286 HydrophobicContact CE1-CB 3.62Å; F276-L286 HydrophobicContact CE1-CD1 3.65Å; F276-L286 HydrophobicContact CE1-CG 4.15Å; F276-L286 HydrophobicContact CE2-CD1 4.12Å; F276-L286 HydrophobicContact CG-CB 4.44Å; F276-L286 HydrophobicContact CZ-CB 4.48Å; F276-L286 HydrophobicContact CZ-CD1 3.66Å; L286-D290 HydrophobicContact CD2-CB 4.22Å; L286-V307 HydrophobicContact CD1-CG1 3.89Å; L286-V307 HydrophobicContact CD2-CG1 4.24Å; L286-K310 HydrophobicContact CD2-CB 4.17Å; L286-K310 HydrophobicContact CD2-CD 3.9Å; L286-F311 HydrophobicContact CD1-CE1 3.72Å; L286-F311 HydrophobicContact CD1-CZ 4.32Å |
| 287 | E | 86.7 | Confident | 81.8 | Confident | 113 Ų | 113 | 83.5 Ų | 83.5 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 164.8 | 179.6 | -63.6 | 176.4 | -177.7 | 0 | 0 | 111.3 | T289 D290 L291 | E287-T289 PolarHBondContact O-N 3.41Å; E287-T289 VanDerWaalsContact O-N 3.13Å; E287-T289 PolarHBondContact OE2-OG1 3.44Å; E287-T289 VanDerWaalsContact OE2-OG1 3.09Å; E287-D290 PolarHBondContact N-OD2 2.89Å; E287-D290 WeakPolarHBondContact O-CA 3.38Å; E287-D290 WeakPolarHBondContact O-CB 3.26Å; E287-D290 PolarHBondContact O-N 2.88Å; E287-L291 PolarHBondContact O-N 3.22Å; E287-L291 VanDerWaalsContact O-N 3.16Å |
| 288 | D | 86.4 | Confident | 82.2 | Confident | 122 Ų | 122 | 86.2 Ų | 86.2 | 65% | 0.652 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -56.1 | -29.1 | 170.6 | -70.7 | -27.6 | 0 | 0 | 0 | 112.7 | D290 L291 S292 | D288-D290 VanDerWaalsContact C-N 3.34Å; D288-L291 PolarHBondContact O-N 3.23Å; D288-S292 WeakPolarHBondContact O-CB 3.15Å; D288-S292 PolarHBondContact O-N 3.33Å; D288-S292 PolarHBondContact O-OG 2.84Å |
| 289 | T | 89.2 | Confident | 83.1 | Confident | 67 Ų | 67 | 78.8 Ų | 78.8 | 41% | 0.411 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 175 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | E287 S292 R293 | E287-T289 PolarHBondContact O-N 3.41Å; E287-T289 VanDerWaalsContact O-N 3.13Å; E287-T289 PolarHBondContact OE2-OG1 3.44Å; E287-T289 VanDerWaalsContact OE2-OG1 3.09Å; T289-S292 PolarHBondContact O-N 2.75Å; T289-R293 VanDerWaalsContact O-CG 3.31Å; T289-R293 WeakPolarHBondContact O-CG 3.41Å; T289-R293 PolarHBondContact O-N 2.91Å |
| 290 | D | 92.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69 | -41.4 | 176.4 | -61.4 | -41 | 0 | 0 | 0 | 111.1 | F276 L286 E287 D288 S292 R293 L294 K310 | F276-D290 HydrophobicContact CE1-CB 4.27Å; L286-D290 HydrophobicContact CD2-CB 4.22Å; E287-D290 PolarHBondContact N-OD2 2.89Å; E287-D290 WeakPolarHBondContact O-CA 3.38Å; E287-D290 WeakPolarHBondContact O-CB 3.26Å; E287-D290 PolarHBondContact O-N 2.88Å; D288-D290 VanDerWaalsContact C-N 3.34Å; D290-S292 VanDerWaalsContact C-N 3.34Å; D290-S292 PolarHBondContact O-N 2.89Å; D290-R293 PolarHBondContact O-N 2.91Å; D290-L294 WeakPolarHBondContact O-CB 3.28Å; D290-L294 PolarHBondContact O-N 3.16Å; D290-K310 WeakPolarHBondContact OD1-CE 3.13Å; D290-K310 IonicContact OD1-NZ 2.85Å; D290-K310 PolarHBondContact OD1-NZ 2.86Å; D290-K310 IonicContact OD2-NZ 2.83Å; D290-K310 PolarHBondContact OD2-NZ 3.36Å |
| 291 | L | 93 | Very high | 85.5 | Confident | 31 Ų | 31 | 73 Ų | 73 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 175 | -178.9 | 57.9 | 0 | 0 | 0 | 111.2 | L269 F276 E287 D288 R293 L294 Y295 | L269-L291 HydrophobicContact CD2-CD1 3.79Å; F276-L291 HydrophobicContact CD1-CB 3.73Å; F276-L291 HydrophobicContact CD1-CD1 4.36Å; F276-L291 HydrophobicContact CD1-CG 4.45Å; F276-L291 HydrophobicContact CD2-CD1 4.22Å; F276-L291 HydrophobicContact CE1-CB 3.74Å; F276-L291 HydrophobicContact CE1-CD1 4.24Å; F276-L291 HydrophobicContact CE2-CD1 4.12Å; F276-L291 HydrophobicContact CG-CB 4.38Å; F276-L291 HydrophobicContact CG-CD1 4.34Å; F276-L291 HydrophobicContact CZ-CB 4.43Å; F276-L291 HydrophobicContact CZ-CD1 4.12Å; E287-L291 PolarHBondContact O-N 3.22Å; E287-L291 VanDerWaalsContact O-N 3.16Å; D288-L291 PolarHBondContact O-N 3.23Å; L291-R293 VanDerWaalsContact C-N 3.33Å; L291-R293 PolarHBondContact O-N 2.8Å; L291-L294 HydrophobicContact CD1-CD2 4.41Å; L291-L294 WeakPolarHBondContact O-CB 3.24Å; L291-L294 PolarHBondContact O-N 2.89Å; L291-Y295 HydrophobicContact CD1-CD2 4.22Å; L291-Y295 HydrophobicContact CD1-CE2 3.69Å; L291-Y295 HydrophobicContact CD2-CE2 4.23Å; L291-Y295 HydrophobicContact CG-CD2 4.13Å; L291-Y295 HydrophobicContact CG-CE2 3.66Å; L291-Y295 WeakPolarHBondContact O-CD2 3.36Å; L291-Y295 PolarHBondContact O-N 2.85Å |
| 292 | S | 94.5 | Very high | 87.2 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 176.2 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | D288 T289 D290 Y295 T296 | D288-S292 WeakPolarHBondContact O-CB 3.15Å; D288-S292 PolarHBondContact O-N 3.33Å; D288-S292 PolarHBondContact O-OG 2.84Å; T289-S292 PolarHBondContact O-N 2.75Å; D290-S292 VanDerWaalsContact C-N 3.34Å; D290-S292 PolarHBondContact O-N 2.89Å; S292-Y295 PolarHBondContact O-N 2.86Å; S292-T296 PolarHBondContact O-N 3.11Å |
| 293 | R | 95.6 | Very high | 88.9 | Confident | 127 Ų | 127 | 62.1 Ų | 62.1 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 176.4 | -70.9 | 179.2 | -171.2 | 171.7 | 3 | 112.2 | T289 D290 L291 Y295 T296 A297 N306 | T289-R293 VanDerWaalsContact O-CG 3.31Å; T289-R293 WeakPolarHBondContact O-CG 3.41Å; T289-R293 PolarHBondContact O-N 2.91Å; D290-R293 PolarHBondContact O-N 2.91Å; L291-R293 VanDerWaalsContact C-N 3.33Å; L291-R293 PolarHBondContact O-N 2.8Å; R293-Y295 VanDerWaalsContact C-N 3.33Å; R293-Y295 PolarHBondContact O-N 2.85Å; R293-T296 CarbonylContact O-C 3.52Å; R293-T296 PolarHBondContact O-N 3.39Å; R293-T296 VanDerWaalsContact O-N 3.13Å; R293-T296 PolarHBondContact O-OG1 3.02Å; R293-A297 PolarHBondContact O-N 2.94Å; R293-N306 HydrophobicContact CB-CB 4.15Å; R293-N306 WeakPolarHBondContact CD-OD1 3.41Å; R293-N306 PolarHBondContact NH1-OD1 2.67Å |
| 294 | L | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 175.1 | 175.2 | 64.6 | 0 | 0 | 0 | 111.8 | K265 I268 L269 F276 D290 L291 T296 A297 I303 V307 | K265-L294 HydrophobicContact CB-CD1 4.35Å; K265-L294 WeakPolarHBondContact CD-O 3.39Å; K265-L294 VanDerWaalsContact CE-O 3.25Å; K265-L294 WeakPolarHBondContact CE-O 3.48Å; K265-L294 HydrophobicContact CG-CD1 3.92Å; K265-L294 HydrophobicContact CG-CG 4.11Å; I268-L294 HydrophobicContact CB-CD2 4.03Å; I268-L294 HydrophobicContact CD1-CD1 3.94Å; I268-L294 HydrophobicContact CG2-CD2 3.41Å; I268-L294 VanDerWaalsContact CG2-CD2 3.41Å; L269-L294 HydrophobicContact CD2-CD2 3.84Å; L269-L294 HydrophobicContact CG-CD2 4.19Å; F276-L294 HydrophobicContact CE2-CD2 4.23Å; F276-L294 HydrophobicContact CZ-CD2 3.95Å; D290-L294 WeakPolarHBondContact O-CB 3.28Å; D290-L294 PolarHBondContact O-N 3.16Å; L291-L294 HydrophobicContact CD1-CD2 4.41Å; L291-L294 WeakPolarHBondContact O-CB 3.24Å; L291-L294 PolarHBondContact O-N 2.89Å; L294-T296 VanDerWaalsContact C-N 3.26Å; L294-T296 PolarHBondContact O-N 3.22Å; L294-A297 WeakPolarHBondContact O-CB 3.38Å; L294-A297 PolarHBondContact O-N 2.8Å; L294-I303 HydrophobicContact CD1-CG1 4.1Å; L294-I303 HydrophobicContact CD1-CG2 4.27Å; L294-V307 HydrophobicContact CB-CG2 4.15Å; L294-V307 HydrophobicContact CD1-CG2 4.25Å; L294-V307 HydrophobicContact CD2-CG2 4.42Å |
| 295 | Y | 95.5 | Very high | 92.4 | Very high | 125 Ų | 125 | 53.8 Ų | 53.8 | 49% | 0.49 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.8 | -42.8 | 175.8 | -80.5 | -65.4 | 0 | 0 | 0 | 111.8 | K265 L269 L291 S292 R293 | K265-Y295 PolarHBondContact NZ-O 3.19Å; L269-Y295 HydrophobicContact CD1-CD1 4.04Å; L269-Y295 HydrophobicContact CD1-CE1 3.71Å; L269-Y295 HydrophobicContact CD2-CD1 4.44Å; L269-Y295 HydrophobicContact CD2-CE1 3.84Å; L269-Y295 HydrophobicContact CD2-CE2 4.43Å; L269-Y295 HydrophobicContact CG-CE1 4.46Å; L291-Y295 HydrophobicContact CD1-CD2 4.22Å; L291-Y295 HydrophobicContact CD1-CE2 3.69Å; L291-Y295 HydrophobicContact CD2-CE2 4.23Å; L291-Y295 HydrophobicContact CG-CD2 4.13Å; L291-Y295 HydrophobicContact CG-CE2 3.66Å; L291-Y295 WeakPolarHBondContact O-CD2 3.36Å; L291-Y295 PolarHBondContact O-N 2.85Å; S292-Y295 PolarHBondContact O-N 2.86Å; R293-Y295 VanDerWaalsContact C-N 3.33Å; R293-Y295 PolarHBondContact O-N 2.85Å |
| 296 | T | 96 | Very high | 93.4 | Very high | 103 Ų | 103 | 52.2 Ų | 52.2 | 63% | 0.632 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -82.6 | -7.6 | -179.1 | 64.5 | 0 | 0 | 0 | 0 | 114.8 | S292 R293 L294 | S292-T296 PolarHBondContact O-N 3.11Å; R293-T296 CarbonylContact O-C 3.52Å; R293-T296 PolarHBondContact O-N 3.39Å; R293-T296 VanDerWaalsContact O-N 3.13Å; R293-T296 PolarHBondContact O-OG1 3.02Å; L294-T296 VanDerWaalsContact C-N 3.26Å; L294-T296 PolarHBondContact O-N 3.22Å |
| 297 | A | 96.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | trans | -65.3 | 138.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K265 R293 L294 Q302 I303 | K265-A297 WeakPolarHBondContact CE-O 3.48Å; K265-A297 PolarHBondContact NZ-O 2.89Å; R293-A297 PolarHBondContact O-N 2.94Å; L294-A297 WeakPolarHBondContact O-CB 3.38Å; L294-A297 PolarHBondContact O-N 2.8Å; A297-Q302 HydrophobicContact CB-CB 3.88Å; A297-I303 HydrophobicContact CB-CG1 3.76Å | ||
| 298 | T | 93.9 | Very high | 94.2 | Very high | 70 Ų | 70 | 46 Ų | 46 | 43% | 0.429 | 24% | 0.24 | S | C | . | . | trans | -127.6 | 2.7 | -177.4 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | F258 Q302 | F258-T298 WeakPolarHBondContact CA-O 3.4Å; F258-T298 HydrophobicContact CD2-CG2 4.49Å; F258-T298 HydrophobicContact CE2-CG2 4.29Å; T298-Q302 PolarHBondContact OG1-OE1 2.9Å; T298-Q302 VanDerWaalsContact OG1-OE1 3.11Å | ||
| 299 | S | 94.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -144.2 | 155.2 | 178.1 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | N257 M301 Q302 I303 | N257-S299 WeakPolarHBondContact ND2-CB 3.32Å; S299-M301 PolarHBondContact O-N 3.17Å; S299-Q302 PolarHBondContact O-N 2.91Å; S299-Q302 WeakPolarHBondContact OG-CG 3.37Å; S299-Q302 PolarHBondContact OG-N 2.9Å; S299-I303 PolarHBondContact O-N 3.25Å |
| 300 | L | 94.5 | Very high | 94.8 | Very high | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -37.9 | 174.8 | -70.2 | 171.9 | 0 | 0 | 0 | 111.1 | I134 N257 M260 A261 M264 Q302 I303 D304 | I134-L300 HydrophobicContact CD1-CD1 4.41Å; I134-L300 HydrophobicContact CD1-CD2 4.21Å; N257-L300 PolarHBondContact OD1-N 3.3Å; M260-L300 HydrophobicContact CB-CD1 3.88Å; M260-L300 HydrophobicContact CB-CD2 4.21Å; M260-L300 HydrophobicContact CB-CG 4.16Å; M260-L300 HydrophobicContact CE-CD1 3.83Å; M260-L300 HydrophobicContact SD-CD1 4.23Å; A261-L300 HydrophobicContact CB-CD2 4.48Å; A261-L300 HydrophobicContact CB-CG 4.48Å; M264-L300 HydrophobicContact CB-CD2 4.16Å; L300-Q302 VanDerWaalsContact C-N 3.3Å; L300-Q302 PolarHBondContact O-N 2.83Å; L300-I303 CarbonylContact O-C 3.53Å; L300-I303 PolarHBondContact O-N 3.24Å; L300-D304 WeakPolarHBondContact O-CB 3.31Å; L300-D304 PolarHBondContact O-N 3.39Å |
| 301 | M | 94.7 | Very high | 94.7 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 29% | 0.286 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.1 | -43.4 | 175.2 | -170.1 | -165.2 | 76.4 | 0 | 0 | 112.8 | M247 S299 D304 D305 L317 Y321 | M247-M301 HydrophobicContact CE-CB 4.19Å; M247-M301 HydrophobicContact CE-CE 3.47Å; M247-M301 VanDerWaalsContact CE-CE 3.47Å; M247-M301 HydrophobicContact CE-SD 3.68Å; S299-M301 PolarHBondContact O-N 3.17Å; M301-D304 PolarHBondContact O-N 2.87Å; M301-D305 WeakPolarHBondContact O-CB 3.44Å; M301-D305 PolarHBondContact O-N 3.33Å; M301-L317 HydrophobicContact CG-CD2 3.47Å; M301-L317 VanDerWaalsContact CG-CD2 3.47Å; M301-L317 HydrophobicContact SD-CD2 4.3Å; M301-Y321 WeakPolarHBondContact CA-OH 3.26Å |
| 302 | Q | 95.5 | Very high | 94.5 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.9 | -36 | 176.4 | -75 | 176.3 | -34.9 | 0 | 0 | 112 | A297 T298 S299 L300 N306 | A297-Q302 HydrophobicContact CB-CB 3.88Å; T298-Q302 PolarHBondContact OG1-OE1 2.9Å; T298-Q302 VanDerWaalsContact OG1-OE1 3.11Å; S299-Q302 PolarHBondContact O-N 2.91Å; S299-Q302 WeakPolarHBondContact OG-CG 3.37Å; S299-Q302 PolarHBondContact OG-N 2.9Å; L300-Q302 VanDerWaalsContact C-N 3.3Å; L300-Q302 PolarHBondContact O-N 2.83Å; Q302-N306 VanDerWaalsContact O-CB 3.3Å; Q302-N306 WeakPolarHBondContact O-CB 3.33Å; Q302-N306 VanDerWaalsContact O-CG 3.29Å; Q302-N306 PolarHBondContact O-N 3.06Å; Q302-N306 VanDerWaalsContact O-N 3.14Å; Q302-N306 PolarHBondContact O-ND2 3.32Å |
| 303 | I | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -42.7 | 176.5 | -63.9 | 176.6 | 0 | 0 | 0 | 110.4 | A261 M264 K265 I268 L294 A297 S299 L300 V307 M308 | A261-I303 HydrophobicContact CB-CD1 3.93Å; A261-I303 WeakPolarHBondContact O-CD1 3.45Å; M264-I303 HydrophobicContact CB-CD1 3.99Å; M264-I303 HydrophobicContact CG-CD1 4.13Å; M264-I303 HydrophobicContact CG-CG2 3.97Å; K265-I303 HydrophobicContact CB-CD1 4.17Å; I268-I303 HydrophobicContact CD1-CG2 3.38Å; L294-I303 HydrophobicContact CD1-CG1 4.1Å; L294-I303 HydrophobicContact CD1-CG2 4.27Å; A297-I303 HydrophobicContact CB-CG1 3.76Å; S299-I303 PolarHBondContact O-N 3.25Å; L300-I303 CarbonylContact O-C 3.53Å; L300-I303 PolarHBondContact O-N 3.24Å; I303-V307 WeakPolarHBondContact O-CA 3.45Å; I303-V307 WeakPolarHBondContact O-CB 3.32Å; I303-V307 PolarHBondContact O-N 2.87Å; I303-M308 HydrophobicContact CG2-CE 4.27Å; I303-M308 HydrophobicContact CG2-CG 4.09Å; I303-M308 HydrophobicContact CG2-SD 4.42Å; I303-M308 PolarHBondContact O-N 3.05Å; I303-M308 VanDerWaalsContact O-N 3.17Å |
| 304 | D | 96.3 | Very high | 94.2 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 178.8 | -76.2 | -30.1 | 0 | 0 | 0 | 111.7 | L300 M301 M308 R309 L317 Y320 Y321 | L300-D304 WeakPolarHBondContact O-CB 3.31Å; L300-D304 PolarHBondContact O-N 3.39Å; M301-D304 PolarHBondContact O-N 2.87Å; D304-M308 PolarHBondContact O-N 3.19Å; D304-M308 WeakPolarHBondContact OD1-CG 3.32Å; D304-R309 WeakPolarHBondContact O-CB 3.5Å; D304-R309 VanDerWaalsContact O-CG 3.31Å; D304-R309 WeakPolarHBondContact O-CG 3.49Å; D304-R309 PolarHBondContact O-N 3.09Å; D304-L317 HydrophobicContact CB-CD1 3.77Å; D304-Y320 HydrophobicContact CB-CD1 4.31Å; D304-Y320 HydrophobicContact CB-CE1 3.8Å; D304-Y321 HydrophobicContact CB-CE1 3.97Å; D304-Y321 VanDerWaalsContact OD2-CE1 3.29Å; D304-Y321 WeakPolarHBondContact OD2-CE1 3.46Å; D304-Y321 PolarHBondContact OD2-OH 3.32Å |
| 305 | D | 95.1 | Very high | 94.1 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.2 | -37.7 | -179.2 | -170.6 | 29.3 | 0 | 0 | 0 | 113.1 | M301 R309 L317 | M301-D305 WeakPolarHBondContact O-CB 3.44Å; M301-D305 PolarHBondContact O-N 3.33Å; D305-R309 VanDerWaalsContact O-CZ 3.32Å; D305-R309 PolarHBondContact O-NE 3.12Å; D305-R309 PolarHBondContact O-NH2 3.36Å; D305-R309 IonicContact OD1-CZ 3.3Å; D305-R309 IonicContact OD1-NE 3.77Å; D305-R309 PolarHBondContact OD1-NE 3.02Å; D305-R309 IonicContact OD1-NH2 3.65Å; D305-R309 PolarHBondContact OD1-NH2 2.75Å; D305-L317 HydrophobicContact CB-CB 4.22Å; D305-L317 HydrophobicContact CB-CD1 4.1Å; D305-L317 HydrophobicContact CB-CD2 4.21Å; D305-L317 HydrophobicContact CB-CG 4.41Å |
| 306 | N | 93.5 | Very high | 94.1 | Very high | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -85.3 | -30.3 | -176.7 | -67.1 | -52.3 | 0 | 0 | 0 | 113.1 | R293 Q302 | R293-N306 HydrophobicContact CB-CB 4.15Å; R293-N306 WeakPolarHBondContact CD-OD1 3.41Å; R293-N306 PolarHBondContact NH1-OD1 2.67Å; Q302-N306 VanDerWaalsContact O-CB 3.3Å; Q302-N306 WeakPolarHBondContact O-CB 3.33Å; Q302-N306 VanDerWaalsContact O-CG 3.29Å; Q302-N306 PolarHBondContact O-N 3.06Å; Q302-N306 VanDerWaalsContact O-N 3.14Å; Q302-N306 PolarHBondContact O-ND2 3.32Å |
| 307 | V | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -64 | -169.8 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | I268 F276 L286 L294 I303 R309 K310 F311 | I268-V307 HydrophobicContact CD1-CG1 4.46Å; I268-V307 HydrophobicContact CG2-CG1 4.35Å; F276-V307 HydrophobicContact CZ-CG2 4.42Å; L286-V307 HydrophobicContact CD1-CG1 3.89Å; L286-V307 HydrophobicContact CD2-CG1 4.24Å; L294-V307 HydrophobicContact CB-CG2 4.15Å; L294-V307 HydrophobicContact CD1-CG2 4.25Å; L294-V307 HydrophobicContact CD2-CG2 4.42Å; I303-V307 WeakPolarHBondContact O-CA 3.45Å; I303-V307 WeakPolarHBondContact O-CB 3.32Å; I303-V307 PolarHBondContact O-N 2.87Å; V307-R309 PolarHBondContact O-N 3.2Å; V307-K310 WeakPolarHBondContact O-CB 3.21Å; V307-K310 PolarHBondContact O-N 2.95Å; V307-K310 VanDerWaalsContact O-N 3.1Å; V307-F311 HydrophobicContact CG1-CE1 4.2Å; V307-F311 HydrophobicContact CG1-CE2 4.15Å; V307-F311 HydrophobicContact CG1-CZ 3.62Å |
| 308 | M | 94.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -63.9 | -41.2 | -164.1 | -52.5 | -52.5 | -144.6 | 0 | 0 | 113.5 | M264 I268 I303 D304 K310 F311 | M264-M308 HydrophobicContact CE-CE 3.93Å; M264-M308 HydrophobicContact CG-CE 3.73Å; M264-M308 HydrophobicContact SD-CE 3.25Å; M264-M308 WeakPolarHBondContact SD-CE 3.46Å; I268-M308 HydrophobicContact CD1-CE 3.64Å; I268-M308 HydrophobicContact CD1-SD 4.02Å; I268-M308 HydrophobicContact CG1-CE 4.01Å; I303-M308 HydrophobicContact CG2-CE 4.27Å; I303-M308 HydrophobicContact CG2-CG 4.09Å; I303-M308 HydrophobicContact CG2-SD 4.42Å; I303-M308 PolarHBondContact O-N 3.05Å; I303-M308 VanDerWaalsContact O-N 3.17Å; D304-M308 PolarHBondContact O-N 3.19Å; D304-M308 WeakPolarHBondContact OD1-CG 3.32Å; M308-K310 PolarHBondContact O-N 3.22Å; M308-F311 WeakPolarHBondContact O-CB 3.43Å; M308-F311 PolarHBondContact O-N 2.96Å; M308-F311 HydrophobicContact SD-CD2 4.13Å; M308-F311 HydrophobicContact SD-CE2 3.47Å; M308-F311 WeakPolarHBondContact SD-CE2 3.43Å; M308-F311 HydrophobicContact SD-CZ 4.37Å |
| 309 | R | 95 | Very high | 94.3 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -62.9 | -26.3 | -179.4 | 74.8 | 171.3 | 174.3 | 75 | 5 | 113.1 | D304 D305 V307 F311 G313 Y314 N315 Y320 | D304-R309 WeakPolarHBondContact O-CB 3.5Å; D304-R309 VanDerWaalsContact O-CG 3.31Å; D304-R309 WeakPolarHBondContact O-CG 3.49Å; D304-R309 PolarHBondContact O-N 3.09Å; D305-R309 VanDerWaalsContact O-CZ 3.32Å; D305-R309 PolarHBondContact O-NE 3.12Å; D305-R309 PolarHBondContact O-NH2 3.36Å; D305-R309 IonicContact OD1-CZ 3.3Å; D305-R309 IonicContact OD1-NE 3.77Å; D305-R309 PolarHBondContact OD1-NE 3.02Å; D305-R309 IonicContact OD1-NH2 3.65Å; D305-R309 PolarHBondContact OD1-NH2 2.75Å; V307-R309 PolarHBondContact O-N 3.2Å; R309-F311 VanDerWaalsContact C-N 3.34Å; R309-G313 PolarHBondContact O-N 3.23Å; R309-Y314 PolarHBondContact NH1-O 3.43Å; R309-Y314 WeakPolarHBondContact O-CD2 3.42Å; R309-Y314 PolarHBondContact O-N 3.48Å; R309-Y314 VanDerWaalsContact O-N 3.1Å; R309-N315 PolarHBondContact NH1-O 2.79Å; R309-Y320 HydrophobicContact CB-CD1 3.84Å; R309-Y320 HydrophobicContact CB-CD2 4.1Å; R309-Y320 HydrophobicContact CB-CG 3.6Å |
| 310 | K | 93.4 | Very high | 94.4 | Very high | 44 Ų | 44 | 39.4 Ų | 39.4 | 19% | 0.191 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -75.7 | -23.9 | -177.6 | -62.6 | -170.9 | -179.7 | -168 | 0 | 112.3 | L286 D290 V307 M308 H312 G313 | L286-K310 HydrophobicContact CD2-CB 4.17Å; L286-K310 HydrophobicContact CD2-CD 3.9Å; D290-K310 WeakPolarHBondContact OD1-CE 3.13Å; D290-K310 IonicContact OD1-NZ 2.85Å; D290-K310 PolarHBondContact OD1-NZ 2.86Å; D290-K310 IonicContact OD2-NZ 2.83Å; D290-K310 PolarHBondContact OD2-NZ 3.36Å; V307-K310 WeakPolarHBondContact O-CB 3.21Å; V307-K310 PolarHBondContact O-N 2.95Å; V307-K310 VanDerWaalsContact O-N 3.1Å; M308-K310 PolarHBondContact O-N 3.22Å; K310-H312 PolarHBondContact O-N 2.9Å; K310-G313 PolarHBondContact O-N 3.42Å |
| 311 | F | 91.3 | Very high | 94.5 | Very high | 27 Ų | 27 | 39 Ų | 39 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -58.2 | -32.4 | 178.8 | -67.7 | -33.2 | 0 | 0 | 0 | 113.7 | R175 M176 T178 L275 L286 V307 M308 R309 | R175-F311 HydrophobicContact CB-CB 3.86Å; R175-F311 HydrophobicContact CB-CD1 3.92Å; R175-F311 HydrophobicContact CB-CD2 4.46Å; R175-F311 HydrophobicContact CB-CG 3.85Å; M176-F311 HydrophobicContact CB-CD2 4.35Å; M176-F311 HydrophobicContact CB-CE2 3.73Å; M176-F311 HydrophobicContact CB-CZ 4.33Å; M176-F311 HydrophobicContact CG-CE2 4.15Å; M176-F311 HydrophobicContact CG-CZ 4.26Å; T178-F311 HydrophobicContact CG2-CB 4.48Å; T178-F311 HydrophobicContact CG2-CD2 4.39Å; L275-F311 HydrophobicContact CD1-CZ 4.27Å; L275-F311 HydrophobicContact CD2-CE1 3.87Å; L275-F311 HydrophobicContact CD2-CZ 3.99Å; L286-F311 HydrophobicContact CD1-CE1 3.72Å; L286-F311 HydrophobicContact CD1-CZ 4.32Å; V307-F311 HydrophobicContact CG1-CE1 4.2Å; V307-F311 HydrophobicContact CG1-CE2 4.15Å; V307-F311 HydrophobicContact CG1-CZ 3.62Å; M308-F311 WeakPolarHBondContact O-CB 3.43Å; M308-F311 PolarHBondContact O-N 2.96Å; M308-F311 HydrophobicContact SD-CD2 4.13Å; M308-F311 HydrophobicContact SD-CE2 3.47Å; M308-F311 WeakPolarHBondContact SD-CE2 3.43Å; M308-F311 HydrophobicContact SD-CZ 4.37Å; R309-F311 VanDerWaalsContact C-N 3.34Å |
| 312 | H | 88.3 | Confident | 94.6 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -110.7 | 10.1 | 176.3 | -58.7 | 158.9 | 0 | 0 | 0 | 112.9 | T178 W183 K310 Y314 E324 | T178-H312 PolarHBondContact OG1-CE1 3.17Å; W183-H312 AromaticContact CH2-CD2 3.5Å; W183-H312 AromaticContact CH2-NE2 3.73Å; W183-H312 AromaticContact CZ3-CD2 3.69Å; W183-H312 AromaticContact CZ3-NE2 3.52Å; K310-H312 PolarHBondContact O-N 2.9Å; H312-Y314 HydrophobicContact CB-CD2 3.98Å; H312-Y314 HydrophobicContact CB-CE2 3.62Å; H312-E324 IonicContact ND1-OE1 2.72Å; H312-E324 PolarHBondContact ND1-OE1 2.81Å |
| 313 | G | 90 | Very high | 94.7 | Very high | 16 Ų | 16 | 39 Ų | 39 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 21.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | R309 K310 | R309-G313 PolarHBondContact O-N 3.23Å; K310-G313 PolarHBondContact O-N 3.42Å |
| 314 | Y | 93.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | trans | -67.7 | 134.4 | 175.6 | -62.3 | -74.2 | 0 | 0 | 0 | 111.3 | R309 H312 S316 E319 Y320 E323 E324 | R309-Y314 PolarHBondContact NH1-O 3.43Å; R309-Y314 WeakPolarHBondContact O-CD2 3.42Å; R309-Y314 PolarHBondContact O-N 3.48Å; R309-Y314 VanDerWaalsContact O-N 3.1Å; H312-Y314 HydrophobicContact CB-CD2 3.98Å; H312-Y314 HydrophobicContact CB-CE2 3.62Å; Y314-S316 PolarHBondContact O-N 3.16Å; Y314-E319 HydrophobicContact CD1-CG 3.93Å; Y314-Y320 AromaticContact CD2-CD2 3.45Å; Y314-Y320 HydrophobicContact CD2-CD2 3.45Å; Y314-Y320 VanDerWaalsContact CD2-CD2 3.45Å; Y314-Y320 HydrophobicContact CD2-CE2 4.41Å; Y314-Y320 HydrophobicContact CD2-CG 4.12Å; Y314-Y320 AromaticContact CE2-CD2 3.54Å; Y314-Y320 HydrophobicContact CE2-CD2 3.54Å; Y314-Y320 HydrophobicContact CE2-CE2 4.26Å; Y314-Y320 HydrophobicContact CG-CD2 4.31Å; Y314-E323 HydrophobicContact CE1-CB 3.7Å; Y314-E323 HydrophobicContact CE1-CG 3.95Å; Y314-E324 HydrophobicContact CE2-CG 4.03Å; Y314-E324 WeakPolarHBondContact CE2-OE1 3.21Å; Y314-E324 PolarHBondContact OH-OE1 2.87Å | ||
| 315 | N | 92.8 | Very high | 94.8 | Very high | 123 Ų | 123 | 38.1 Ų | 38.1 | 66% | 0.658 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -75.1 | -28.4 | -173.4 | -59.9 | -67.8 | 0 | 0 | 0 | 112.4 | R309 E319 | R309-N315 PolarHBondContact NH1-O 2.79Å; N315-E319 WeakPolarHBondContact CB-OE2 3.41Å; N315-E319 PolarHBondContact N-OE2 3.1Å; N315-E319 PolarHBondContact ND2-OE2 3.42Å |
| 316 | S | 95.9 | Very high | 95 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 34% | 0.343 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -140.2 | 156.7 | -179 | 70.2 | 0 | 0 | 0 | 0 | 112 | Y314 K318 E319 Y320 | Y314-S316 PolarHBondContact O-N 3.16Å; S316-K318 PolarHBondContact O-N 3.25Å; S316-E319 PolarHBondContact O-N 3.44Å; S316-E319 WeakPolarHBondContact OG-CB 3.25Å; S316-E319 PolarHBondContact OG-N 3.37Å; S316-E319 VanDerWaalsContact OG-N 3.13Å; S316-Y320 PolarHBondContact O-N 2.9Å; S316-Y320 VanDerWaalsContact O-N 3.09Å |
| 317 | L | 95.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 37.5 Ų | 37.5 | 12% | 0.115 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -39.3 | 171.8 | -179.2 | 65.5 | 0 | 0 | 0 | 112.2 | M301 D304 D305 Y320 Y321 | M301-L317 HydrophobicContact CG-CD2 3.47Å; M301-L317 VanDerWaalsContact CG-CD2 3.47Å; M301-L317 HydrophobicContact SD-CD2 4.3Å; D304-L317 HydrophobicContact CB-CD1 3.77Å; D305-L317 HydrophobicContact CB-CB 4.22Å; D305-L317 HydrophobicContact CB-CD1 4.1Å; D305-L317 HydrophobicContact CB-CD2 4.21Å; D305-L317 HydrophobicContact CB-CG 4.41Å; L317-Y320 HydrophobicContact CD1-CD1 4.13Å; L317-Y320 WeakPolarHBondContact O-CB 3.26Å; L317-Y320 PolarHBondContact O-N 2.85Å; L317-Y321 HydrophobicContact CD1-CD1 4.14Å; L317-Y321 HydrophobicContact CD1-CD2 4.12Å; L317-Y321 HydrophobicContact CD1-CE1 3.75Å; L317-Y321 HydrophobicContact CD1-CE2 3.69Å; L317-Y321 HydrophobicContact CD1-CG 4.34Å; L317-Y321 HydrophobicContact CD2-CE2 4.02Å; L317-Y321 HydrophobicContact CG-CD2 4Å; L317-Y321 HydrophobicContact CG-CE2 3.82Å; L317-Y321 HydrophobicContact CG-CG 4.5Å; L317-Y321 WeakPolarHBondContact O-CB 3.34Å; L317-Y321 PolarHBondContact O-N 2.58Å |
| 318 | K | 96.7 | Very high | 95.2 | Very high | 121 Ų | 121 | 43 Ų | 43 | 53% | 0.526 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.1 | -49.4 | 179 | -177.8 | -175.3 | 171.2 | -166 | 0 | 111.2 | L240 S316 Y321 E322 | L240-K318 HydrophobicContact CD1-CG 3.99Å; S316-K318 PolarHBondContact O-N 3.25Å; K318-Y321 PolarHBondContact O-N 2.96Å; K318-E322 WeakPolarHBondContact CE-OE1 3.39Å; K318-E322 HydrophobicContact CG-CG 4.4Å; K318-E322 IonicContact NZ-OE1 2.69Å; K318-E322 WeakPolarHBondContact O-CB 3.5Å; K318-E322 WeakPolarHBondContact O-CG 3.25Å; K318-E322 PolarHBondContact O-N 3.12Å |
| 319 | E | 96.8 | Very high | 95.4 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 30% | 0.304 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 177.5 | -174.8 | -174.3 | -170.7 | 0 | 0 | 110.9 | Y314 N315 S316 Y321 E322 E323 | Y314-E319 HydrophobicContact CD1-CG 3.93Å; N315-E319 WeakPolarHBondContact CB-OE2 3.41Å; N315-E319 PolarHBondContact N-OE2 3.1Å; N315-E319 PolarHBondContact ND2-OE2 3.42Å; S316-E319 PolarHBondContact O-N 3.44Å; S316-E319 WeakPolarHBondContact OG-CB 3.25Å; S316-E319 PolarHBondContact OG-N 3.37Å; S316-E319 VanDerWaalsContact OG-N 3.13Å; E319-Y321 PolarHBondContact O-N 3.12Å; E319-E322 PolarHBondContact O-N 2.82Å; E319-E323 WeakPolarHBondContact O-CB 3.07Å; E319-E323 WeakPolarHBondContact O-CG 3.26Å; E319-E323 PolarHBondContact O-N 2.79Å |
| 320 | Y | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54 | -51.2 | 174.9 | 170.6 | -121.6 | 0 | 0 | 0 | 112 | T178 Y179 D304 R309 Y314 S316 L317 E322 E324 | T178-Y320 WeakPolarHBondContact CB-OH 3.39Å; T178-Y320 HydrophobicContact CG2-CE2 4.29Å; Y179-Y320 WeakPolarHBondContact CB-OH 3.46Å; Y179-Y320 PolarHBondContact N-OH 3.21Å; D304-Y320 HydrophobicContact CB-CD1 4.31Å; D304-Y320 HydrophobicContact CB-CE1 3.8Å; R309-Y320 HydrophobicContact CB-CD1 3.84Å; R309-Y320 HydrophobicContact CB-CD2 4.1Å; R309-Y320 HydrophobicContact CB-CG 3.6Å; Y314-Y320 AromaticContact CD2-CD2 3.45Å; Y314-Y320 HydrophobicContact CD2-CD2 3.45Å; Y314-Y320 VanDerWaalsContact CD2-CD2 3.45Å; Y314-Y320 HydrophobicContact CD2-CE2 4.41Å; Y314-Y320 HydrophobicContact CD2-CG 4.12Å; Y314-Y320 AromaticContact CE2-CD2 3.54Å; Y314-Y320 HydrophobicContact CE2-CD2 3.54Å; Y314-Y320 HydrophobicContact CE2-CE2 4.26Å; Y314-Y320 HydrophobicContact CG-CD2 4.31Å; S316-Y320 PolarHBondContact O-N 2.9Å; S316-Y320 VanDerWaalsContact O-N 3.09Å; L317-Y320 HydrophobicContact CD1-CD1 4.13Å; L317-Y320 WeakPolarHBondContact O-CB 3.26Å; L317-Y320 PolarHBondContact O-N 2.85Å; Y320-E322 PolarHBondContact O-N 3.47Å; Y320-E324 HydrophobicContact CD2-CB 4.45Å; Y320-E324 HydrophobicContact CD2-CG 3.56Å; Y320-E324 HydrophobicContact CE2-CB 4.32Å; Y320-E324 HydrophobicContact CE2-CG 3.56Å; Y320-E324 WeakPolarHBondContact O-CB 3.38Å; Y320-E324 WeakPolarHBondContact O-CG 3.44Å; Y320-E324 PolarHBondContact O-N 3.03Å |
| 321 | Y | 97.5 | Very high | 95.7 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.8 | -33.5 | -179.8 | -76 | -7.7 | 0 | 0 | 0 | 113.7 | A239 Q243 M301 D304 L317 K318 E319 S325 | A239-Y321 HydrophobicContact CB-CD1 3.57Å; A239-Y321 HydrophobicContact CB-CD2 4.18Å; A239-Y321 HydrophobicContact CB-CE1 3.98Å; A239-Y321 HydrophobicContact CB-CG 3.66Å; Q243-Y321 HydrophobicContact CB-CD2 4.33Å; Q243-Y321 HydrophobicContact CB-CE2 3.77Å; Q243-Y321 HydrophobicContact CG-CE2 4.44Å; M301-Y321 WeakPolarHBondContact CA-OH 3.26Å; D304-Y321 HydrophobicContact CB-CE1 3.97Å; D304-Y321 VanDerWaalsContact OD2-CE1 3.29Å; D304-Y321 WeakPolarHBondContact OD2-CE1 3.46Å; D304-Y321 PolarHBondContact OD2-OH 3.32Å; L317-Y321 HydrophobicContact CD1-CD1 4.14Å; L317-Y321 HydrophobicContact CD1-CD2 4.12Å; L317-Y321 HydrophobicContact CD1-CE1 3.75Å; L317-Y321 HydrophobicContact CD1-CE2 3.69Å; L317-Y321 HydrophobicContact CD1-CG 4.34Å; L317-Y321 HydrophobicContact CD2-CE2 4.02Å; L317-Y321 HydrophobicContact CG-CD2 4Å; L317-Y321 HydrophobicContact CG-CE2 3.82Å; L317-Y321 HydrophobicContact CG-CG 4.5Å; L317-Y321 WeakPolarHBondContact O-CB 3.34Å; L317-Y321 PolarHBondContact O-N 2.58Å; K318-Y321 PolarHBondContact O-N 2.96Å; E319-Y321 PolarHBondContact O-N 3.12Å; Y321-S325 WeakPolarHBondContact O-CB 3.35Å; Y321-S325 PolarHBondContact O-N 3.21Å; Y321-S325 PolarHBondContact O-OG 3.33Å |
| 322 | E | 96.6 | Very high | 96 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.3 | -45.3 | 176.8 | -75.7 | 178.3 | 159.3 | 0 | 0 | 112.1 | L240 K318 E319 Y320 R328 | L240-E322 HydrophobicContact CD2-CG 3.73Å; K318-E322 WeakPolarHBondContact CE-OE1 3.39Å; K318-E322 HydrophobicContact CG-CG 4.4Å; K318-E322 IonicContact NZ-OE1 2.69Å; K318-E322 WeakPolarHBondContact O-CB 3.5Å; K318-E322 WeakPolarHBondContact O-CG 3.25Å; K318-E322 PolarHBondContact O-N 3.12Å; E319-E322 PolarHBondContact O-N 2.82Å; Y320-E322 PolarHBondContact O-N 3.47Å; E322-R328 WeakPolarHBondContact O-CD 3.28Å |
| 323 | E | 96.9 | Very high | 96.5 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 30% | 0.304 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -73.4 | -35.9 | -179.1 | -66.9 | -57.7 | 138.5 | 0 | 0 | 112.3 | K215 Y314 E319 S325 R328 Y329 | K215-E323 WeakPolarHBondContact CE-O 3.19Å; Y314-E323 HydrophobicContact CE1-CB 3.7Å; Y314-E323 HydrophobicContact CE1-CG 3.95Å; E319-E323 WeakPolarHBondContact O-CB 3.07Å; E319-E323 WeakPolarHBondContact O-CG 3.26Å; E319-E323 PolarHBondContact O-N 2.79Å; E323-S325 VanDerWaalsContact C-N 3.34Å; E323-S325 PolarHBondContact O-N 3.02Å; E323-R328 IonicContact OE1-CZ 3.69Å; E323-R328 IonicContact OE1-NH1 3.64Å; E323-R328 PolarHBondContact OE1-NH1 3.03Å; E323-R328 IonicContact OE2-NH1 3.9Å; E323-Y329 WeakPolarHBondContact O-CE2 3.45Å; E323-Y329 PolarHBondContact O-OH 2.87Å |
| 324 | E | 97.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -86 | -7.7 | -176.4 | -60.6 | -106.8 | 157.2 | 0 | 0 | 113 | T178 Y179 G180 C181 N211 H312 Y314 Y320 | T178-E324 WeakPolarHBondContact CB-OE2 3.33Å; T178-E324 PolarHBondContact OG1-OE1 3.09Å; T178-E324 PolarHBondContact OG1-OE2 2.76Å; Y179-E324 HydrophobicContact CD1-CB 4.12Å; G180-E324 WeakPolarHBondContact CA-O 3.37Å; G180-E324 WeakPolarHBondContact CA-OE2 3.46Å; G180-E324 PolarHBondContact N-OE2 2.74Å; C181-E324 PolarHBondContact N-OE2 2.82Å; N211-E324 PolarHBondContact ND2-O 3.29Å; H312-E324 IonicContact ND1-OE1 2.72Å; H312-E324 PolarHBondContact ND1-OE1 2.81Å; Y314-E324 HydrophobicContact CE2-CG 4.03Å; Y314-E324 WeakPolarHBondContact CE2-OE1 3.21Å; Y314-E324 PolarHBondContact OH-OE1 2.87Å; Y320-E324 HydrophobicContact CD2-CB 4.45Å; Y320-E324 HydrophobicContact CD2-CG 3.56Å; Y320-E324 HydrophobicContact CE2-CB 4.32Å; Y320-E324 HydrophobicContact CE2-CG 3.56Å; Y320-E324 WeakPolarHBondContact O-CB 3.38Å; Y320-E324 WeakPolarHBondContact O-CG 3.44Å; Y320-E324 PolarHBondContact O-N 3.03Å |
| 325 | S | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | trans | -82.4 | 123.3 | 177.5 | -70.6 | 0 | 0 | 0 | 0 | 112.9 | S238 A239 Y321 E323 M327 R328 Y329 | S238-S325 WeakPolarHBondContact CA-OG 3.47Å; A239-S325 PolarHBondContact N-OG 2.98Å; Y321-S325 WeakPolarHBondContact O-CB 3.35Å; Y321-S325 PolarHBondContact O-N 3.21Å; Y321-S325 PolarHBondContact O-OG 3.33Å; E323-S325 VanDerWaalsContact C-N 3.34Å; E323-S325 PolarHBondContact O-N 3.02Å; S325-M327 PolarHBondContact O-N 3.38Å; S325-M327 VanDerWaalsContact O-N 3.1Å; S325-R328 PolarHBondContact O-N 3.17Å; S325-Y329 WeakPolarHBondContact O-CD2 3.49Å | ||
| 326 | C | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -61 | -23.4 | 179.3 | 78.2 | 0 | 0 | 0 | 0 | 113.3 | N211 C214 K215 Q235 R328 Y329 L330 | N211-C326 VanDerWaalsContact O-CB 3.25Å; N211-C326 WeakPolarHBondContact O-CB 3.33Å; N211-C326 WeakPolarHBondContact OD1-CB 3.45Å; N211-C326 PolarHBondContact OD1-N 3.2Å; C214-C326 HydrophobicContact CB-CB 3.69Å; K215-C326 HydrophobicContact CB-CB 3.97Å; Q235-C326 PolarHBondContact OE1-SG 3.04Å; C326-R328 PolarHBondContact O-N 3.38Å; C326-Y329 WeakPolarHBondContact O-CA 3.38Å; C326-Y329 WeakPolarHBondContact O-CB 3.26Å; C326-Y329 PolarHBondContact O-N 2.92Å; C326-L330 WeakPolarHBondContact O-CG 3.44Å; C326-L330 PolarHBondContact O-N 3.3Å |
| 327 | M | 97.3 | Very high | 97.5 | Very high | 60 Ų | 60 | 43 Ų | 43 | 30% | 0.296 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -46.4 | -37.9 | 179 | -178.8 | -178.3 | 70.1 | 0 | 0 | 113.4 | Y237 S325 Y329 I355 | Y237-M327 WeakPolarHBondContact O-CB 3.46Å; Y237-M327 PolarHBondContact O-N 3.07Å; Y237-M327 VanDerWaalsContact O-N 3.11Å; S325-M327 PolarHBondContact O-N 3.38Å; S325-M327 VanDerWaalsContact O-N 3.1Å; M327-Y329 VanDerWaalsContact C-N 3.25Å; M327-Y329 PolarHBondContact O-N 2.86Å; M327-I355 HydrophobicContact CG-CD1 4.38Å; M327-I355 HydrophobicContact CG-CG2 4.02Å; M327-I355 HydrophobicContact SD-CD1 3.67Å; M327-I355 HydrophobicContact SD-CG1 4.06Å |
| 328 | R | 96.1 | Very high | 97.7 | Very high | 116 Ų | 116 | 42 Ų | 42 | 44% | 0.438 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -73.5 | -16.3 | 179.5 | -62.3 | 179.9 | 83.2 | -169.5 | 3.3 | 113.6 | E322 E323 S325 C326 H331 | E322-R328 WeakPolarHBondContact O-CD 3.28Å; E323-R328 IonicContact OE1-CZ 3.69Å; E323-R328 IonicContact OE1-NH1 3.64Å; E323-R328 PolarHBondContact OE1-NH1 3.03Å; E323-R328 IonicContact OE2-NH1 3.9Å; S325-R328 PolarHBondContact O-N 3.17Å; C326-R328 PolarHBondContact O-N 3.38Å; R328-H331 PolarHBondContact O-CE1 3.24Å; R328-H331 PolarHBondContact O-ND1 2.85Å; R328-H331 VanDerWaalsContact O-ND1 3.14Å |
| 329 | Y | 98.3 | Very high | 97.8 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 11% | 0.106 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -22.6 | -171.9 | -56.8 | -97.8 | 0 | 0 | 0 | 112.4 | K215 E219 E323 S325 C326 M327 H331 R332 | K215-Y329 HydrophobicContact CD-CD2 4.36Å; K215-Y329 HydrophobicContact CD-CE2 4.07Å; K215-Y329 HydrophobicContact CG-CD1 4.42Å; K215-Y329 HydrophobicContact CG-CD2 3.96Å; K215-Y329 HydrophobicContact CG-CE2 4.07Å; K215-Y329 HydrophobicContact CG-CG 4.18Å; E219-Y329 HydrophobicContact CG-CD1 3.88Å; E219-Y329 HydrophobicContact CG-CE1 3.85Å; E323-Y329 WeakPolarHBondContact O-CE2 3.45Å; E323-Y329 PolarHBondContact O-OH 2.87Å; S325-Y329 WeakPolarHBondContact O-CD2 3.49Å; C326-Y329 WeakPolarHBondContact O-CA 3.38Å; C326-Y329 WeakPolarHBondContact O-CB 3.26Å; C326-Y329 PolarHBondContact O-N 2.92Å; M327-Y329 VanDerWaalsContact C-N 3.25Å; M327-Y329 PolarHBondContact O-N 2.86Å; Y329-H331 PolarHBondContact O-N 3.01Å; Y329-H331 VanDerWaalsContact O-N 3.07Å; Y329-R332 PolarHBondContact O-N 3.17Å |
| 330 | L | 98.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -51.1 | -37.3 | -175.1 | -72.5 | 173 | 0 | 0 | 0 | 114.2 | C214 Y237 C326 R332 I333 L337 I355 L359 | C214-L330 HydrophobicContact CB-CD2 3.74Å; Y237-L330 HydrophobicContact CD1-CD1 4.13Å; C326-L330 WeakPolarHBondContact O-CG 3.44Å; C326-L330 PolarHBondContact O-N 3.3Å; L330-R332 PolarHBondContact O-N 3.32Å; L330-R332 VanDerWaalsContact O-N 3.14Å; L330-I333 HydrophobicContact CD2-CD1 3.96Å; L330-I333 PolarHBondContact O-N 3.38Å; L330-I333 VanDerWaalsContact O-N 3.17Å; L330-L337 HydrophobicContact CD2-CD2 4.4Å; L330-I355 HydrophobicContact CD1-CG2 4.02Å; L330-L359 HydrophobicContact CB-CD1 4.46Å; L330-L359 HydrophobicContact CB-CD2 3.79Å; L330-L359 HydrophobicContact CD1-CD2 4.03Å; L330-L359 HydrophobicContact CD2-CD2 4.33Å; L330-L359 HydrophobicContact CG-CD2 4.26Å |
| 331 | H | 96.7 | Very high | 97.9 | Very high | 91 Ų | 91 | 33 Ų | 33 | 42% | 0.421 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -69 | -8.3 | -179 | 71.5 | -85.5 | 0 | 0 | 0 | 114.3 | R328 Y329 R363 | R328-H331 PolarHBondContact O-CE1 3.24Å; R328-H331 PolarHBondContact O-ND1 2.85Å; R328-H331 VanDerWaalsContact O-ND1 3.14Å; Y329-H331 PolarHBondContact O-N 3.01Å; Y329-H331 VanDerWaalsContact O-N 3.07Å; H331-R363 PolarHBondContact O-NH2 3.4Å |
| 332 | R | 98.1 | Very high | 97.9 | Very high | 96 Ų | 96 | 32.6 Ų | 32.6 | 36% | 0.362 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -104.5 | 8.6 | 177 | -57.1 | -167.4 | -64.9 | -150.6 | -0.6 | 112.8 | G218 Q224 Y329 L330 Y334 | G218-R332 VanDerWaalsContact O-CZ 3.24Å; G218-R332 PolarHBondContact O-NE 2.78Å; G218-R332 PolarHBondContact O-NH2 2.96Å; Q224-R332 PolarHBondContact NE2-O 2.78Å; Y329-R332 PolarHBondContact O-N 3.17Å; L330-R332 PolarHBondContact O-N 3.32Å; L330-R332 VanDerWaalsContact O-N 3.14Å; R332-Y334 VanDerWaalsContact O-CD2 3.25Å; R332-Y334 WeakPolarHBondContact O-CD2 3.37Å; R332-Y334 WeakPolarHBondContact O-CE2 3.33Å |
| 333 | I | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | trans | -92.3 | 118.1 | 173.3 | -54.6 | 175 | 0 | 0 | 0 | 108.4 | C214 L217 L330 V335 L337 N365 | C214-I333 HydrophobicContact CB-CD1 4.1Å; C214-I333 WeakPolarHBondContact O-CD1 3.23Å; L217-I333 HydrophobicContact CB-CD1 4.29Å; L217-I333 HydrophobicContact CB-CG1 4.08Å; L217-I333 HydrophobicContact CB-CG2 4.45Å; L330-I333 HydrophobicContact CD2-CD1 3.96Å; L330-I333 PolarHBondContact O-N 3.38Å; L330-I333 VanDerWaalsContact O-N 3.17Å; I333-V335 HydrophobicContact CG2-CG2 3.78Å; I333-L337 HydrophobicContact CD1-CD2 4.08Å; I333-L337 HydrophobicContact CG2-CD2 4.4Å; I333-N365 PolarHBondContact O-ND2 2.85Å | ||
| 334 | Y | 98.1 | Very high | 97.8 | Very high | 124 Ų | 124 | 30.7 Ų | 30.7 | 49% | 0.486 | 14% | 0.142 | S | C | . | . | trans | -107.6 | -21.3 | -176.7 | -58.1 | -80.5 | 0 | 0 | 0 | 113.2 | R332 N365 | R332-Y334 VanDerWaalsContact O-CD2 3.25Å; R332-Y334 WeakPolarHBondContact O-CD2 3.37Å; R332-Y334 WeakPolarHBondContact O-CE2 3.33Å; Y334-N365 PolarHBondContact O-ND2 3.1Å | ||
| 335 | V | 98.4 | Very high | 97.7 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 10% | 0.097 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -64.9 | 153.1 | 171.7 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | L217 Q224 V227 I333 L337 N365 | L217-V335 HydrophobicContact CD1-CG2 4.32Å; Q224-V335 HydrophobicContact CB-CG1 4.12Å; V227-V335 HydrophobicContact CB-CG1 4.15Å; V227-V335 HydrophobicContact CG1-CB 4.37Å; V227-V335 HydrophobicContact CG1-CG1 4.25Å; V227-V335 HydrophobicContact CG1-CG2 4Å; V227-V335 VanDerWaalsContact O-CG1 3.28Å; V227-V335 WeakPolarHBondContact O-CG1 3.31Å; I333-V335 HydrophobicContact CG2-CG2 3.78Å; V335-L337 PolarHBondContact O-N 3.25Å; V335-N365 PolarHBondContact O-ND2 3.2Å |
| 336 | P | 98.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 10% | 0.104 | 14% | 0.143 | C | C | . | . | trans | -48.1 | 125.6 | 169.8 | -28.7 | 33.9 | 0 | 0 | 0 | 112 | L51 L228 C229 C230 N365 I404 | L51-P336 HydrophobicContact CD2-CB 4.12Å; L51-P336 HydrophobicContact CD2-CG 3.96Å; L228-P336 VanDerWaalsContact O-CD 3.3Å; L228-P336 WeakPolarHBondContact O-CD 3.46Å; C229-P336 CarbonylContact C-O 3.6Å; C229-P336 WeakPolarHBondContact CA-O 3.19Å; C229-P336 HydrophobicContact CB-CB 3.96Å; C229-P336 WeakPolarHBondContact CB-O 3.48Å; C230-P336 PolarHBondContact N-O 2.96Å; P336-N365 CarbonylContact C-O 3.6Å; P336-N365 WeakPolarHBondContact CA-O 3.34Å; P336-I404 HydrophobicContact CB-CD1 3.71Å; P336-I404 HydrophobicContact CG-CD1 4.09Å | ||
| 337 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 115.6 | -175.3 | 175.6 | 64.9 | 0 | 0 | 0 | 110 | C230 L330 I333 V335 L339 L359 N365 V366 M367 | C230-L337 HydrophobicContact CB-CD1 3.7Å; C230-L337 CarbonylContact O-C 3.58Å; C230-L337 WeakPolarHBondContact O-CA 3.3Å; L330-L337 HydrophobicContact CD2-CD2 4.4Å; I333-L337 HydrophobicContact CD1-CD2 4.08Å; I333-L337 HydrophobicContact CG2-CD2 4.4Å; V335-L337 PolarHBondContact O-N 3.25Å; L337-L339 HydrophobicContact CD1-CD2 3.84Å; L337-L339 HydrophobicContact CD1-CG 4.49Å; L337-L339 HydrophobicContact CD2-CD1 4.31Å; L337-L339 HydrophobicContact CD2-CD2 4.06Å; L337-L339 HydrophobicContact CD2-CG 4.25Å; L337-L339 HydrophobicContact CG-CD2 3.89Å; L337-L339 HydrophobicContact CG-CG 4.05Å; L337-L359 HydrophobicContact CD2-CD2 4.46Å; L337-N365 PolarHBondContact N-O 3.21Å; L337-V366 HydrophobicContact CB-CG2 4.25Å; L337-V366 HydrophobicContact CD2-CG1 4.34Å; L337-V366 HydrophobicContact CD2-CG2 4.2Å; L337-V366 WeakPolarHBondContact O-CA 3.37Å; L337-M367 PolarHBondContact O-N 2.75Å |
| 338 | M | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.6 | 169.8 | -173.4 | 171.5 | 63.5 | 0 | 0 | 110.4 | L62 C230 V231 S232 V340 M367 V369 L396 Y400 | L62-M338 HydrophobicContact CD2-SD 4.26Å; C230-M338 PolarHBondContact O-N 3.3Å; V231-M338 WeakPolarHBondContact CA-O 3.27Å; V231-M338 HydrophobicContact CB-CE 4.38Å; V231-M338 HydrophobicContact CG1-CB 4.43Å; V231-M338 HydrophobicContact CG1-CE 3.51Å; V231-M338 HydrophobicContact CG2-CB 4.37Å; V231-M338 HydrophobicContact CG2-CE 3.93Å; S232-M338 PolarHBondContact N-O 3.19Å; M338-V340 HydrophobicContact CE-CG2 4.15Å; M338-V340 HydrophobicContact CG-CG2 3.92Å; M338-V340 HydrophobicContact SD-CG2 4.28Å; M338-M367 CarbonylContact C-O 3.5Å; M338-M367 WeakPolarHBondContact CA-O 3.28Å; M338-V369 HydrophobicContact CG-CG2 3.9Å; M338-V369 HydrophobicContact SD-CG2 3.92Å; M338-L396 HydrophobicContact CE-CD2 4.15Å; M338-L396 HydrophobicContact CE-CG 3.97Å; M338-L396 HydrophobicContact SD-CD1 4.46Å; M338-L396 HydrophobicContact SD-CD2 4.29Å; M338-L396 HydrophobicContact SD-CG 4.39Å; M338-Y400 HydrophobicContact CB-CD1 4.21Å; M338-Y400 HydrophobicContact CB-CD2 4.24Å; M338-Y400 HydrophobicContact CB-CE1 3.82Å; M338-Y400 HydrophobicContact CB-CE2 3.84Å; M338-Y400 HydrophobicContact CB-CG 4.42Å; M338-Y400 VanDerWaalsContact CE-CB 3.46Å; M338-Y400 HydrophobicContact CE-CD1 3.77Å; M338-Y400 HydrophobicContact CE-CD2 3.89Å; M338-Y400 HydrophobicContact CE-CE1 4.5Å; M338-Y400 HydrophobicContact CE-CG 3.42Å; M338-Y400 VanDerWaalsContact CE-CG 3.42Å; M338-Y400 HydrophobicContact CG-CD2 4.41Å; M338-Y400 HydrophobicContact CG-CE2 4.33Å; M338-Y400 HydrophobicContact SD-CD1 4.32Å; M338-Y400 HydrophobicContact SD-CD2 3.44Å; M338-Y400 WeakPolarHBondContact SD-CD2 3.47Å; M338-Y400 HydrophobicContact SD-CE2 3.92Å; M338-Y400 HydrophobicContact SD-CG 3.66Å |
| 339 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.4 | 177 | -59.9 | 177.4 | 0 | 0 | 0 | 107.9 | Y237 L337 P356 L359 V366 M367 F368 V369 | Y237-L339 HydrophobicContact CE1-CD1 4.05Å; Y237-L339 HydrophobicContact CE1-CD2 4.15Å; L337-L339 HydrophobicContact CD1-CD2 3.84Å; L337-L339 HydrophobicContact CD1-CG 4.49Å; L337-L339 HydrophobicContact CD2-CD1 4.31Å; L337-L339 HydrophobicContact CD2-CD2 4.06Å; L337-L339 HydrophobicContact CD2-CG 4.25Å; L337-L339 HydrophobicContact CG-CD2 3.89Å; L337-L339 HydrophobicContact CG-CG 4.05Å; L339-P356 HydrophobicContact CB-CB 4.3Å; L339-P356 HydrophobicContact CD1-CB 3.66Å; L339-L359 HydrophobicContact CD1-CD2 4.18Å; L339-V366 HydrophobicContact CD1-CG1 3.97Å; L339-V366 HydrophobicContact CG-CG1 4.45Å; L339-M367 PolarHBondContact N-O 2.99Å; L339-F368 HydrophobicContact CB-CB 4.45Å; L339-F368 HydrophobicContact CB-CD2 3.85Å; L339-F368 CarbonylContact O-C 3.5Å; L339-F368 WeakPolarHBondContact O-CA 3.22Å; L339-F368 VanDerWaalsContact O-CD2 3.28Å; L339-F368 WeakPolarHBondContact O-CD2 3.44Å; L339-V369 PolarHBondContact O-N 3.09Å |
| 340 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125 | -176.5 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | S232 V233 C234 M338 V369 F379 W392 L396 | S232-V340 PolarHBondContact O-N 3.35Å; V233-V340 CarbonylContact C-O 3.49Å; V233-V340 WeakPolarHBondContact CA-O 3.21Å; V233-V340 HydrophobicContact CB-CB 4.47Å; V233-V340 HydrophobicContact CG1-CB 4.12Å; V233-V340 HydrophobicContact CG1-CG1 4.31Å; V233-V340 HydrophobicContact CG2-CB 4.27Å; V233-V340 HydrophobicContact CG2-CG2 4.46Å; C234-V340 PolarHBondContact N-O 3.4Å; M338-V340 HydrophobicContact CE-CG2 4.15Å; M338-V340 HydrophobicContact CG-CG2 3.92Å; M338-V340 HydrophobicContact SD-CG2 4.28Å; V340-V369 WeakPolarHBondContact CA-O 3.4Å; V340-V369 HydrophobicContact CG1-CB 4.5Å; V340-V369 HydrophobicContact CG2-CB 4.26Å; V340-F379 HydrophobicContact CG1-CZ 4.3Å; V340-W392 HydrophobicContact CG1-CZ3 4.14Å; V340-L396 HydrophobicContact CG1-CD2 4.3Å; V340-L396 HydrophobicContact CG2-CD2 4Å |
| 341 | N | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -137.3 | 156.9 | 170 | -73.5 | 92.2 | 0 | 0 | 0 | 108.8 | Q235 Y237 L353 F368 V369 L370 P371 | Q235-N341 PolarHBondContact O-ND2 3.42Å; Q235-N341 VanDerWaalsContact O-ND2 3.11Å; Y237-N341 WeakPolarHBondContact CE2-OD1 3.45Å; Y237-N341 PolarHBondContact OH-OD1 2.78Å; N341-L353 HydrophobicContact CB-CD2 3.7Å; N341-F368 HydrophobicContact CB-CE2 3.98Å; N341-F368 HydrophobicContact CB-CZ 4.24Å; N341-V369 PolarHBondContact N-O 2.73Å; N341-V369 VanDerWaalsContact N-O 3.16Å; N341-L370 HydrophobicContact CB-CD1 4.26Å; N341-L370 WeakPolarHBondContact O-CA 3.42Å; N341-L370 VanDerWaalsContact O-CD1 3.24Å; N341-L370 WeakPolarHBondContact O-CD1 3.25Å; N341-P371 WeakPolarHBondContact O-CD 3.49Å | ||
| 342 | A | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -96.7 | 141.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | D344 D345 P371 F379 | A342-D344 WeakPolarHBondContact CB-OD1 3.5Å; A342-D344 PolarHBondContact O-N 3.35Å; A342-D345 HydrophobicContact CB-CB 4.4Å; A342-D345 VanDerWaalsContact O-CB 3.29Å; A342-D345 WeakPolarHBondContact O-CB 3.4Å; A342-D345 PolarHBondContact O-N 3.25Å; A342-P371 WeakPolarHBondContact CA-O 3.5Å; A342-F379 HydrophobicContact CB-CE1 4.04Å; A342-F379 HydrophobicContact CB-CZ 4Å | ||
| 343 | A | 96.4 | Very high | 96.5 | Very high | 52 Ų | 52 | 24 Ų | 24 | 43% | 0.43 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -25.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | L370 P371 L372 | A343-L370 HydrophobicContact CB-CD1 4.08Å; A343-L370 HydrophobicContact CB-CG 4.29Å; A343-P371 PolarHBondContact N-O 3.1Å; A343-L372 HydrophobicContact CB-CD1 4.35Å |
| 344 | D | 94.7 | Very high | 96.5 | Very high | 35 Ų | 35 | 27.1 Ų | 27.1 | 19% | 0.187 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 12.3 | 175.8 | 73.7 | -19.7 | 0 | 0 | 0 | 113.8 | G76 A342 P346 L372 H373 G374 G375 | G76-D344 WeakPolarHBondContact CA-OD2 3.48Å; G76-D344 PolarHBondContact N-OD2 3.24Å; A342-D344 WeakPolarHBondContact CB-OD1 3.5Å; A342-D344 PolarHBondContact O-N 3.35Å; D344-P346 VanDerWaalsContact O-CD 3.32Å; D344-P346 WeakPolarHBondContact O-CD 3.08Å; D344-L372 PolarHBondContact N-O 3.38Å; D344-H373 WeakPolarHBondContact OD1-CA 3.32Å; D344-H373 IonicContact OD2-ND1 3.02Å; D344-G374 PolarHBondContact OD1-N 2.8Å; D344-G374 PolarHBondContact OD2-N 2.76Å; D344-G375 PolarHBondContact OD1-N 3.21Å |
| 345 | D | 95.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | trans | -61.7 | 116 | 177.9 | -171.5 | -35.9 | 0 | 0 | 0 | 110.3 | A342 L347 V348 H376 | A342-D345 HydrophobicContact CB-CB 4.4Å; A342-D345 VanDerWaalsContact O-CB 3.29Å; A342-D345 WeakPolarHBondContact O-CB 3.4Å; A342-D345 PolarHBondContact O-N 3.25Å; D345-L347 VanDerWaalsContact C-N 3.26Å; D345-L347 PolarHBondContact O-N 2.82Å; D345-L347 WeakPolarHBondContact OD1-CA 3.5Å; D345-L347 WeakPolarHBondContact OD1-CB 3.44Å; D345-L347 PolarHBondContact OD1-N 3.5Å; D345-V348 HydrophobicContact CB-CB 4.19Å; D345-V348 PolarHBondContact OD1-N 2.88Å; D345-V348 VanDerWaalsContact OD1-N 3.07Å; D345-V348 WeakPolarHBondContact OD2-CG2 3.45Å; D345-H376 WeakPolarHBondContact OD1-CB 3.46Å; D345-H376 IonicContact OD1-CG 3.79Å; D345-H376 IonicContact OD1-ND1 3.83Å; D345-H376 PolarHBondContact OD1-ND1 2.87Å; D345-H376 IonicContact OD2-CE1 3.55Å; D345-H376 IonicContact OD2-CG 2.65Å; D345-H376 IonicContact OD2-ND1 2.68Å; D345-H376 PolarHBondContact OD2-ND1 2.85Å | ||
| 346 | P | 92.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -72.2 | -20.8 | -177.3 | 30.7 | -35.6 | 0 | 0 | 0 | 112.5 | H77 T80 R253 Y256 D344 | H77-P346 VanDerWaalsContact CE1-CB 3.47Å; H77-P346 WeakPolarHBondContact CE1-CB 3.5Å; T80-P346 HydrophobicContact CG2-CG 4.04Å; T80-P346 VanDerWaalsContact OG1-CD 3.27Å; T80-P346 WeakPolarHBondContact OG1-CD 3.47Å; T80-P346 VanDerWaalsContact OG1-CG 3.26Å; T80-P346 WeakPolarHBondContact OG1-CG 3.27Å; R253-P346 WeakPolarHBondContact CD-O 3.41Å; R253-P346 WeakPolarHBondContact CG-O 3.26Å; R253-P346 PolarHBondContact NE-O 2.93Å; Y256-P346 HydrophobicContact CD2-CB 4.33Å; Y256-P346 HydrophobicContact CE2-CB 3.79Å; Y256-P346 HydrophobicContact CE2-CG 3.99Å; D344-P346 VanDerWaalsContact O-CD 3.32Å; D344-P346 WeakPolarHBondContact O-CD 3.08Å |
| 347 | L | 92.5 | Very high | 96.5 | Very high | 14 Ų | 14 | 22.6 Ų | 22.6 | 7% | 0.073 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -91 | -33.6 | -179 | -54 | -171.3 | 0 | 0 | 0 | 112.4 | F246 Y256 M260 D345 H349 H376 | F246-L347 HydrophobicContact CE1-CB 4.4Å; F246-L347 HydrophobicContact CE1-CD2 4.49Å; Y256-L347 HydrophobicContact CD1-CD2 4.15Å; Y256-L347 HydrophobicContact CD2-CD2 3.98Å; Y256-L347 HydrophobicContact CG-CD2 3.59Å; M260-L347 HydrophobicContact SD-CD1 4Å; D345-L347 VanDerWaalsContact C-N 3.26Å; D345-L347 PolarHBondContact O-N 2.82Å; D345-L347 WeakPolarHBondContact OD1-CA 3.5Å; D345-L347 WeakPolarHBondContact OD1-CB 3.44Å; D345-L347 PolarHBondContact OD1-N 3.5Å; L347-H349 PolarHBondContact O-N 2.84Å; L347-H376 HydrophobicContact CD1-CB 4.08Å; L347-H376 HydrophobicContact CG-CB 4.16Å |
| 348 | V | 94.5 | Very high | 96.4 | Very high | 7 Ų | 7 | 25 Ų | 25 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -95.5 | 95.6 | -179.9 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | D345 L352 L353 | D345-V348 HydrophobicContact CB-CB 4.19Å; D345-V348 PolarHBondContact OD1-N 2.88Å; D345-V348 VanDerWaalsContact OD1-N 3.07Å; D345-V348 WeakPolarHBondContact OD2-CG2 3.45Å; V348-L352 HydrophobicContact CG1-CB 4.06Å; V348-L352 HydrophobicContact CG1-CD1 4.22Å; V348-L353 HydrophobicContact CG1-CD2 3.68Å; V348-L353 HydrophobicContact CG1-CG 4.47Å |
| 349 | H | 94.3 | Very high | 96.4 | Very high | 40 Ų | 40 | 26 Ų | 26 | 19% | 0.185 | 15% | 0.149 | C | C | . | . | trans | -62.2 | 146.7 | 176.9 | -178.3 | -93.9 | 0 | 0 | 0 | 112.1 | T245 L347 S351 L352 | T245-H349 HydrophobicContact CG2-CB 3.69Å; L347-H349 PolarHBondContact O-N 2.84Å; H349-S351 VanDerWaalsContact ND1-CB 3.34Å; H349-S351 WeakPolarHBondContact ND1-CB 3.49Å; H349-S351 PolarHBondContact ND1-N 2.96Å; H349-S351 PolarHBondContact ND1-OG 3.23Å; H349-S351 PolarHBondContact O-N 3.46Å; H349-S351 VanDerWaalsContact O-N 3.09Å; H349-L352 WeakPolarHBondContact O-CB 3.33Å; H349-L352 PolarHBondContact O-N 3.13Å | ||
| 350 | E | 93.4 | Very high | 96.3 | Very high | 138 Ų | 138 | 26 Ų | 26 | 65% | 0.645 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -54.9 | -33.9 | -175.6 | -175 | 176.9 | -174.6 | 0 | 0 | 113.4 | L352 L353 | E350-L352 PolarHBondContact O-N 3.45Å; E350-L352 VanDerWaalsContact O-N 3.17Å; E350-L353 WeakPolarHBondContact O-CB 3.31Å; E350-L353 PolarHBondContact O-N 2.82Å |
| 351 | S | 94.4 | Very high | 96.2 | Very high | 49 Ų | 49 | 31.4 Ų | 31.4 | 34% | 0.343 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.7 | -28.2 | 175.7 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | H349 T354 | H349-S351 VanDerWaalsContact ND1-CB 3.34Å; H349-S351 WeakPolarHBondContact ND1-CB 3.49Å; H349-S351 PolarHBondContact ND1-N 2.96Å; H349-S351 PolarHBondContact ND1-OG 3.23Å; H349-S351 PolarHBondContact O-N 3.46Å; H349-S351 VanDerWaalsContact O-N 3.09Å; S351-T354 PolarHBondContact O-OG1 3.18Å |
| 352 | L | 96.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.5 | -28.6 | 175.4 | -60.8 | 173.5 | 0 | 0 | 0 | 111.8 | R241 A242 V348 H349 E350 T354 I355 P356 | R241-L352 HydrophobicContact CB-CD2 3.53Å; A242-L352 HydrophobicContact CB-CD1 3.88Å; A242-L352 HydrophobicContact CB-CD2 4.41Å; V348-L352 HydrophobicContact CG1-CB 4.06Å; V348-L352 HydrophobicContact CG1-CD1 4.22Å; H349-L352 WeakPolarHBondContact O-CB 3.33Å; H349-L352 PolarHBondContact O-N 3.13Å; E350-L352 PolarHBondContact O-N 3.45Å; E350-L352 VanDerWaalsContact O-N 3.17Å; L352-T354 PolarHBondContact O-N 3.39Å; L352-I355 WeakPolarHBondContact O-CB 2.8Å; L352-I355 PolarHBondContact O-N 3.48Å; L352-I355 VanDerWaalsContact O-N 3.15Å; L352-P356 VanDerWaalsContact O-CD 3.31Å; L352-P356 WeakPolarHBondContact O-CD 3.33Å |
| 353 | L | 97.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.8 | -15 | 178.8 | -53.5 | -177.3 | 0 | 0 | 0 | 112.7 | N341 V348 E350 I355 P356 K357 F368 L370 | N341-L353 HydrophobicContact CB-CD2 3.7Å; V348-L353 HydrophobicContact CG1-CD2 3.68Å; V348-L353 HydrophobicContact CG1-CG 4.47Å; E350-L353 WeakPolarHBondContact O-CB 3.31Å; E350-L353 PolarHBondContact O-N 2.82Å; L353-I355 PolarHBondContact O-N 2.68Å; L353-P356 VanDerWaalsContact O-CD 3.29Å; L353-P356 WeakPolarHBondContact O-CD 3.34Å; L353-P356 WeakPolarHBondContact O-CG 3.46Å; L353-K357 VanDerWaalsContact O-CG 3.23Å; L353-K357 WeakPolarHBondContact O-CG 3.38Å; L353-K357 PolarHBondContact O-N 3.26Å; L353-F368 HydrophobicContact CD2-CZ 4.25Å; L353-L370 HydrophobicContact CD1-CD1 4.08Å; L353-L370 HydrophobicContact CD1-CD2 4.41Å |
| 354 | T | 97.3 | Very high | 96.2 | Very high | 66 Ų | 66 | 45.9 Ų | 45.9 | 41% | 0.405 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.1 | -29.7 | 170.8 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | S351 L352 S358 | S351-T354 PolarHBondContact O-OG1 3.18Å; L352-T354 PolarHBondContact O-N 3.39Å; T354-S358 WeakPolarHBondContact O-CB 3.4Å; T354-S358 PolarHBondContact O-N 3.25Å; T354-S358 PolarHBondContact O-OG 3.36Å |
| 355 | I | 97.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 9% | 0.087 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -57.5 | -178.2 | -59.8 | 163.5 | 0 | 0 | 0 | 111.6 | Y237 M327 L330 L352 L353 K357 L359 | Y237-I355 HydrophobicContact CD1-CG2 4.36Å; Y237-I355 HydrophobicContact CG-CB 4.34Å; Y237-I355 HydrophobicContact CG-CG2 4.19Å; M327-I355 HydrophobicContact CG-CD1 4.38Å; M327-I355 HydrophobicContact CG-CG2 4.02Å; M327-I355 HydrophobicContact SD-CD1 3.67Å; M327-I355 HydrophobicContact SD-CG1 4.06Å; L330-I355 HydrophobicContact CD1-CG2 4.02Å; L352-I355 WeakPolarHBondContact O-CB 2.8Å; L352-I355 PolarHBondContact O-N 3.48Å; L352-I355 VanDerWaalsContact O-N 3.15Å; L353-I355 PolarHBondContact O-N 2.68Å; I355-K357 PolarHBondContact O-N 3.31Å; I355-L359 WeakPolarHBondContact O-CB 3.26Å; I355-L359 PolarHBondContact O-N 2.7Å; I355-L359 VanDerWaalsContact O-N 3.08Å |
| 356 | P | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | 178 | 26.9 | -37.2 | 0 | 0 | 0 | 112.3 | Y237 L339 L352 L353 L359 S360 F368 | Y237-P356 HydrophobicContact CD2-CG 4.43Å; Y237-P356 HydrophobicContact CE1-CB 4.04Å; Y237-P356 HydrophobicContact CE1-CG 4.27Å; Y237-P356 HydrophobicContact CE2-CB 4.33Å; Y237-P356 HydrophobicContact CE2-CG 3.67Å; L339-P356 HydrophobicContact CB-CB 4.3Å; L339-P356 HydrophobicContact CD1-CB 3.66Å; L352-P356 VanDerWaalsContact O-CD 3.31Å; L352-P356 WeakPolarHBondContact O-CD 3.33Å; L353-P356 VanDerWaalsContact O-CD 3.29Å; L353-P356 WeakPolarHBondContact O-CD 3.34Å; L353-P356 WeakPolarHBondContact O-CG 3.46Å; P356-L359 PolarHBondContact O-N 2.87Å; P356-S360 PolarHBondContact O-N 3.35Å; P356-S360 PolarHBondContact O-OG 3.21Å; P356-F368 HydrophobicContact CB-CB 4.21Å; P356-F368 HydrophobicContact CB-CD1 4.14Å; P356-F368 HydrophobicContact CB-CD2 3.62Å; P356-F368 HydrophobicContact CB-CE1 4.45Å; P356-F368 HydrophobicContact CB-CE2 3.98Å; P356-F368 HydrophobicContact CB-CG 3.73Å; P356-F368 HydrophobicContact CB-CZ 4.38Å; P356-F368 HydrophobicContact CG-CD1 4.18Å; P356-F368 HydrophobicContact CG-CD2 3.92Å; P356-F368 HydrophobicContact CG-CE1 4.01Å; P356-F368 HydrophobicContact CG-CE2 3.74Å; P356-F368 HydrophobicContact CG-CG 4.16Å; P356-F368 HydrophobicContact CG-CZ 3.78Å |
| 357 | K | 98.2 | Very high | 96.7 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 19% | 0.191 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56 | -54.6 | 176.1 | -71.6 | 177.4 | -175.7 | -171.1 | 0 | 111.6 | Y45 L353 I355 L359 S360 E361 F368 | Y45-K357 HydrophobicContact CD1-CG 4.09Å; Y45-K357 HydrophobicContact CD2-CG 4.2Å; Y45-K357 HydrophobicContact CE1-CD 4.03Å; Y45-K357 HydrophobicContact CE1-CG 4.05Å; Y45-K357 HydrophobicContact CE2-CD 4.33Å; Y45-K357 HydrophobicContact CE2-CG 4.12Å; Y45-K357 HydrophobicContact CG-CG 4.18Å; Y45-K357 VanDerWaalsContact OH-CE 3.32Å; Y45-K357 WeakPolarHBondContact OH-CE 3.32Å; Y45-K357 PolarHBondContact OH-NZ 2.86Å; L353-K357 VanDerWaalsContact O-CG 3.23Å; L353-K357 WeakPolarHBondContact O-CG 3.38Å; L353-K357 PolarHBondContact O-N 3.26Å; I355-K357 PolarHBondContact O-N 3.31Å; K357-L359 PolarHBondContact O-N 3.1Å; K357-S360 PolarHBondContact O-N 3.4Å; K357-S360 PolarHBondContact O-OG 3.3Å; K357-E361 VanDerWaalsContact O-CG 3.31Å; K357-E361 WeakPolarHBondContact O-CG 3.29Å; K357-E361 PolarHBondContact O-N 3.3Å; K357-F368 HydrophobicContact CD-CE1 4.41Å; K357-F368 HydrophobicContact CG-CD1 3.65Å; K357-F368 HydrophobicContact CG-CE1 3.61Å |
| 358 | S | 97.9 | Very high | 97 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.1 | -26.4 | 178.9 | -69 | 0 | 0 | 0 | 0 | 113.6 | T354 K362 | T354-S358 WeakPolarHBondContact O-CB 3.4Å; T354-S358 PolarHBondContact O-N 3.25Å; T354-S358 PolarHBondContact O-OG 3.36Å; S358-K362 WeakPolarHBondContact O-CD 3Å; S358-K362 VanDerWaalsContact O-CG 3.27Å; S358-K362 WeakPolarHBondContact O-CG 3.44Å |
| 359 | L | 98.1 | Very high | 97.2 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.9 | -48.2 | 175.4 | -178 | 67.5 | 0 | 0 | 0 | 111.2 | L330 L337 L339 I355 P356 K357 E361 K362 R363 V366 | L330-L359 HydrophobicContact CB-CD1 4.46Å; L330-L359 HydrophobicContact CB-CD2 3.79Å; L330-L359 HydrophobicContact CD1-CD2 4.03Å; L330-L359 HydrophobicContact CD2-CD2 4.33Å; L330-L359 HydrophobicContact CG-CD2 4.26Å; L337-L359 HydrophobicContact CD2-CD2 4.46Å; L339-L359 HydrophobicContact CD1-CD2 4.18Å; I355-L359 WeakPolarHBondContact O-CB 3.26Å; I355-L359 PolarHBondContact O-N 2.7Å; I355-L359 VanDerWaalsContact O-N 3.08Å; P356-L359 PolarHBondContact O-N 2.87Å; K357-L359 PolarHBondContact O-N 3.1Å; L359-E361 VanDerWaalsContact C-N 3.27Å; L359-E361 PolarHBondContact O-N 2.98Å; L359-K362 PolarHBondContact O-N 3.36Å; L359-R363 HydrophobicContact CD1-CG 3.92Å; L359-R363 WeakPolarHBondContact O-CB 3.25Å; L359-R363 PolarHBondContact O-N 3.44Å; L359-R363 VanDerWaalsContact O-N 3.12Å; L359-V366 HydrophobicContact CD2-CG1 4.07Å; L359-V366 HydrophobicContact CD2-CG2 4.27Å; L359-V366 HydrophobicContact CG-CG1 4.16Å; L359-V366 HydrophobicContact CG-CG2 4.2Å |
| 360 | S | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -30.2 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | Y45 P356 K357 K362 | Y45-S360 VanDerWaalsContact CB-OG 3.26Å; Y45-S360 WeakPolarHBondContact CB-OG 3.45Å; Y45-S360 VanDerWaalsContact O-CB 3.22Å; Y45-S360 WeakPolarHBondContact O-CB 3.5Å; Y45-S360 PolarHBondContact O-OG 3.02Å; P356-S360 PolarHBondContact O-N 3.35Å; P356-S360 PolarHBondContact O-OG 3.21Å; K357-S360 PolarHBondContact O-N 3.4Å; K357-S360 PolarHBondContact O-OG 3.3Å; S360-K362 PolarHBondContact O-N 3.02Å |
| 361 | E | 96.5 | Very high | 97.6 | Very high | 114 Ų | 114 | 36.7 Ų | 36.7 | 53% | 0.533 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -20.4 | 172.8 | -74.7 | 169.8 | 177.4 | 0 | 0 | 113.1 | Q47 K357 L359 | Q47-E361 PolarHBondContact NE2-O 3.06Å; K357-E361 VanDerWaalsContact O-CG 3.31Å; K357-E361 WeakPolarHBondContact O-CG 3.29Å; K357-E361 PolarHBondContact O-N 3.3Å; L359-E361 VanDerWaalsContact C-N 3.27Å; L359-E361 PolarHBondContact O-N 2.98Å |
| 362 | K | 97.1 | Very high | 97.7 | Very high | 149 Ų | 149 | 37.3 Ų | 37.3 | 65% | 0.648 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -9.5 | -174.4 | -67.8 | 175.9 | -171.9 | 175.5 | 0 | 113.8 | S358 L359 S360 | S358-K362 WeakPolarHBondContact O-CD 3Å; S358-K362 VanDerWaalsContact O-CG 3.27Å; S358-K362 WeakPolarHBondContact O-CG 3.44Å; L359-K362 PolarHBondContact O-N 3.36Å; S360-K362 PolarHBondContact O-N 3.02Å |
| 363 | R | 97.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 37.4 Ų | 37.4 | 31% | 0.306 | 18% | 0.183 | S | C | . | . | trans | -137.9 | 121 | -169.7 | -64.3 | -65.2 | -175.4 | 157.6 | 3.2 | 111.4 | H331 L359 N365 V366 | H331-R363 PolarHBondContact O-NH2 3.4Å; L359-R363 HydrophobicContact CD1-CG 3.92Å; L359-R363 WeakPolarHBondContact O-CB 3.25Å; L359-R363 PolarHBondContact O-N 3.44Å; L359-R363 VanDerWaalsContact O-N 3.12Å; R363-N365 VanDerWaalsContact C-N 3.27Å; R363-N365 PolarHBondContact O-N 2.85Å; R363-V366 HydrophobicContact CB-CB 4.13Å; R363-V366 HydrophobicContact CB-CG2 3.69Å; R363-V366 HydrophobicContact CG-CG2 4.41Å; R363-V366 PolarHBondContact O-N 2.61Å | ||
| 364 | E | 96.8 | Very high | 97.5 | Very high | 125 Ų | 125 | 37.1 Ų | 37.1 | 58% | 0.584 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.6 | 180 | -63.4 | 179.7 | -174.9 | 0 | 0 | 114.2 | Q47 V366 | Q47-E364 HydrophobicContact CB-CG 4.15Å; E364-V366 VanDerWaalsContact C-N 3.33Å |
| 365 | N | 97.7 | Very high | 97.4 | Very high | 30 Ų | 30 | 34 Ų | 34 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 0.3 | 179 | 68.3 | -63.1 | 0 | 0 | 0 | 113.4 | I333 Y334 V335 P336 L337 R363 | I333-N365 PolarHBondContact O-ND2 2.85Å; Y334-N365 PolarHBondContact O-ND2 3.1Å; V335-N365 PolarHBondContact O-ND2 3.2Å; P336-N365 CarbonylContact C-O 3.6Å; P336-N365 WeakPolarHBondContact CA-O 3.34Å; L337-N365 PolarHBondContact N-O 3.21Å; R363-N365 VanDerWaalsContact C-N 3.27Å; R363-N365 PolarHBondContact O-N 2.85Å |
| 366 | V | 98.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128 | -175.2 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | L337 L339 L359 R363 E364 | L337-V366 HydrophobicContact CB-CG2 4.25Å; L337-V366 HydrophobicContact CD2-CG1 4.34Å; L337-V366 HydrophobicContact CD2-CG2 4.2Å; L337-V366 WeakPolarHBondContact O-CA 3.37Å; L339-V366 HydrophobicContact CD1-CG1 3.97Å; L339-V366 HydrophobicContact CG-CG1 4.45Å; L359-V366 HydrophobicContact CD2-CG1 4.07Å; L359-V366 HydrophobicContact CD2-CG2 4.27Å; L359-V366 HydrophobicContact CG-CG1 4.16Å; L359-V366 HydrophobicContact CG-CG2 4.2Å; R363-V366 HydrophobicContact CB-CB 4.13Å; R363-V366 HydrophobicContact CB-CG2 3.69Å; R363-V366 HydrophobicContact CG-CG2 4.41Å; R363-V366 PolarHBondContact O-N 2.61Å; E364-V366 VanDerWaalsContact C-N 3.33Å |
| 367 | M | 98.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.03 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127 | 172 | -179 | 178 | -72 | 0 | 0 | 109.6 | F46 L55 L62 L337 M338 L339 V369 | F46-M367 HydrophobicContact CB-CB 4.39Å; F46-M367 HydrophobicContact CB-CE 4.39Å; F46-M367 HydrophobicContact CB-CG 4.29Å; F46-M367 HydrophobicContact CD1-CE 4.33Å; F46-M367 HydrophobicContact CG-CE 4.23Å; L55-M367 HydrophobicContact CB-CE 4.23Å; L55-M367 HydrophobicContact CD1-CE 3.99Å; L62-M367 HydrophobicContact CD1-CE 4.43Å; L62-M367 HydrophobicContact CD1-SD 3.81Å; L62-M367 HydrophobicContact CD2-SD 4.05Å; L337-M367 PolarHBondContact O-N 2.75Å; M338-M367 CarbonylContact C-O 3.5Å; M338-M367 WeakPolarHBondContact CA-O 3.28Å; L339-M367 PolarHBondContact N-O 2.99Å; M367-V369 HydrophobicContact CG-CG2 4.11Å; M367-V369 HydrophobicContact SD-CG2 4.31Å |
| 368 | F | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.9 | 172.2 | 175.5 | -128.2 | 0 | 0 | 0 | 110.3 | L44 Y45 L339 N341 L353 P356 K357 L370 | L44-F368 WeakPolarHBondContact CA-O 3.32Å; Y45-F368 AromaticContact CD2-CD1 3.43Å; Y45-F368 HydrophobicContact CD2-CD1 3.43Å; Y45-F368 VanDerWaalsContact CD2-CD1 3.43Å; Y45-F368 HydrophobicContact CD2-CE1 4.01Å; Y45-F368 HydrophobicContact CD2-CG 4.33Å; Y45-F368 AromaticContact CE2-CD1 3.98Å; Y45-F368 HydrophobicContact CE2-CD1 3.98Å; Y45-F368 HydrophobicContact CE2-CE1 4.09Å; Y45-F368 HydrophobicContact CG-CD1 4.1Å; Y45-F368 PolarHBondContact N-O 3.41Å; Y45-F368 PolarHBondContact O-N 2.87Å; L339-F368 HydrophobicContact CB-CB 4.45Å; L339-F368 HydrophobicContact CB-CD2 3.85Å; L339-F368 CarbonylContact O-C 3.5Å; L339-F368 WeakPolarHBondContact O-CA 3.22Å; L339-F368 VanDerWaalsContact O-CD2 3.28Å; L339-F368 WeakPolarHBondContact O-CD2 3.44Å; N341-F368 HydrophobicContact CB-CE2 3.98Å; N341-F368 HydrophobicContact CB-CZ 4.24Å; L353-F368 HydrophobicContact CD2-CZ 4.25Å; P356-F368 HydrophobicContact CB-CB 4.21Å; P356-F368 HydrophobicContact CB-CD1 4.14Å; P356-F368 HydrophobicContact CB-CD2 3.62Å; P356-F368 HydrophobicContact CB-CE1 4.45Å; P356-F368 HydrophobicContact CB-CE2 3.98Å; P356-F368 HydrophobicContact CB-CG 3.73Å; P356-F368 HydrophobicContact CB-CZ 4.38Å; P356-F368 HydrophobicContact CG-CD1 4.18Å; P356-F368 HydrophobicContact CG-CD2 3.92Å; P356-F368 HydrophobicContact CG-CE1 4.01Å; P356-F368 HydrophobicContact CG-CE2 3.74Å; P356-F368 HydrophobicContact CG-CG 4.16Å; P356-F368 HydrophobicContact CG-CZ 3.78Å; K357-F368 HydrophobicContact CD-CE1 4.41Å; K357-F368 HydrophobicContact CG-CD1 3.65Å; K357-F368 HydrophobicContact CG-CE1 3.61Å; F368-L370 HydrophobicContact CE1-CB 4.01Å; F368-L370 HydrophobicContact CE1-CD2 4.04Å; F368-L370 HydrophobicContact CE1-CG 4.45Å; F368-L370 HydrophobicContact CZ-CB 3.97Å; F368-L370 HydrophobicContact CZ-CD1 3.98Å; F368-L370 HydrophobicContact CZ-CD2 4.23Å; F368-L370 HydrophobicContact CZ-CG 4.29Å |
| 369 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.7 | -175.9 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | P42 L44 L62 M338 L339 V340 N341 M367 W392 L396 | P42-V369 HydrophobicContact CB-CG1 3.66Å; P42-V369 HydrophobicContact CG-CG1 3.95Å; L44-V369 HydrophobicContact CD2-CB 4.18Å; L44-V369 HydrophobicContact CD2-CG1 3.87Å; L44-V369 HydrophobicContact CD2-CG2 3.9Å; L62-V369 HydrophobicContact CD2-CG1 4.29Å; L62-V369 HydrophobicContact CD2-CG2 3.69Å; M338-V369 HydrophobicContact CG-CG2 3.9Å; M338-V369 HydrophobicContact SD-CG2 3.92Å; L339-V369 PolarHBondContact O-N 3.09Å; V340-V369 WeakPolarHBondContact CA-O 3.4Å; V340-V369 HydrophobicContact CG1-CB 4.5Å; V340-V369 HydrophobicContact CG2-CB 4.26Å; N341-V369 PolarHBondContact N-O 2.73Å; N341-V369 VanDerWaalsContact N-O 3.16Å; M367-V369 HydrophobicContact CG-CG2 4.11Å; M367-V369 HydrophobicContact SD-CG2 4.31Å; V369-W392 HydrophobicContact CG1-CH2 3.95Å; V369-L396 HydrophobicContact CG1-CD2 4.35Å |
| 370 | L | 98.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 84.1 | -173.8 | -176.1 | 61.3 | 0 | 0 | 0 | 111.1 | D43 Y45 N341 A343 L353 F368 | D43-L370 HydrophobicContact CB-CB 4.27Å; D43-L370 PolarHBondContact N-O 3.43Å; D43-L370 PolarHBondContact O-N 3.34Å; Y45-L370 HydrophobicContact CE2-CB 4.35Å; Y45-L370 HydrophobicContact CE2-CD2 4.19Å; N341-L370 HydrophobicContact CB-CD1 4.26Å; N341-L370 WeakPolarHBondContact O-CA 3.42Å; N341-L370 VanDerWaalsContact O-CD1 3.24Å; N341-L370 WeakPolarHBondContact O-CD1 3.25Å; A343-L370 HydrophobicContact CB-CD1 4.08Å; A343-L370 HydrophobicContact CB-CG 4.29Å; L353-L370 HydrophobicContact CD1-CD1 4.08Å; L353-L370 HydrophobicContact CD1-CD2 4.41Å; F368-L370 HydrophobicContact CE1-CB 4.01Å; F368-L370 HydrophobicContact CE1-CD2 4.04Å; F368-L370 HydrophobicContact CE1-CG 4.45Å; F368-L370 HydrophobicContact CZ-CB 3.97Å; F368-L370 HydrophobicContact CZ-CD1 3.98Å; F368-L370 HydrophobicContact CZ-CD2 4.23Å; F368-L370 HydrophobicContact CZ-CG 4.29Å |
| 371 | P | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | trans | -61.3 | 146.3 | 166.8 | -18.9 | 32 | 0 | 0 | 0 | 111.3 | P42 Y66 N341 A342 A343 H373 F379 W392 | P42-P371 HydrophobicContact CB-CB 4.35Å; P42-P371 HydrophobicContact CB-CG 3.93Å; Y66-P371 HydrophobicContact CD1-CB 4.36Å; N341-P371 WeakPolarHBondContact O-CD 3.49Å; A342-P371 WeakPolarHBondContact CA-O 3.5Å; A343-P371 PolarHBondContact N-O 3.1Å; P371-H373 WeakPolarHBondContact CB-O 3.38Å; P371-H373 PolarHBondContact O-N 3.01Å; P371-F379 HydrophobicContact CG-CE1 4.04Å; P371-W392 HydrophobicContact CG-CE3 4.33Å; P371-W392 HydrophobicContact CG-CH2 3.35Å; P371-W392 HydrophobicContact CG-CZ2 4.16Å; P371-W392 HydrophobicContact CG-CZ3 3.48Å; P371-W392 VanDerWaalsContact CG-CZ3 3.48Å | ||
| 372 | L | 96.1 | Very high | 95.3 | Very high | 62 Ų | 62 | 25.6 Ų | 25.6 | 33% | 0.325 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -62.9 | -33 | 175.3 | -176.7 | 60.5 | 0 | 0 | 0 | 112.4 | P38 A343 D344 | P38-L372 HydrophobicContact CG-CD2 4.06Å; P38-L372 WeakPolarHBondContact O-CD2 3.36Å; A343-L372 HydrophobicContact CB-CD1 4.35Å; D344-L372 PolarHBondContact N-O 3.38Å |
| 373 | H | 95.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | trans | -125.3 | 152 | -174.7 | -57.2 | -62.4 | 0 | 0 | 0 | 111.2 | S37 P38 Y66 P68 K74 D344 P371 | S37-H373 PolarHBondContact OG-CE1 3.35Å; S37-H373 PolarHBondContact OG-NE2 2.99Å; P38-H373 PolarHBondContact O-NE2 2.78Å; Y66-H373 HydrophobicContact CD1-CB 4.23Å; Y66-H373 HydrophobicContact CE1-CB 3.76Å; Y66-H373 WeakPolarHBondContact CE1-O 3.37Å; P68-H373 HydrophobicContact CG-CB 4.25Å; K74-H373 PolarHBondContact O-ND1 2.81Å; D344-H373 WeakPolarHBondContact OD1-CA 3.32Å; D344-H373 IonicContact OD2-ND1 3.02Å; P371-H373 WeakPolarHBondContact CB-O 3.38Å; P371-H373 PolarHBondContact O-N 3.01Å | ||
| 374 | G | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | 158.7 | -20.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D344 G378 F379 | D344-G374 PolarHBondContact OD1-N 2.8Å; D344-G374 PolarHBondContact OD2-N 2.76Å; G374-G378 CarbonylContact O-C 3.58Å; G374-G378 WeakPolarHBondContact O-CA 3.45Å; G374-G378 PolarHBondContact O-N 3.08Å; G374-F379 PolarHBondContact O-N 3.37Å | ||
| 375 | G | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | -157.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D344 L377 | D344-G375 PolarHBondContact OD1-N 3.21Å; G375-L377 PolarHBondContact O-N 3.18Å |
| 376 | H | 95.2 | Very high | 91.9 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 6% | 0.06 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 107.2 | 176 | -161.9 | 75.9 | 0 | 0 | 0 | 110.8 | T80 S207 C234 D345 L347 G378 | T80-H376 HydrophobicContact CG2-CB 3.81Å; T80-H376 PolarHBondContact OG1-N 3.38Å; S207-H376 WeakPolarHBondContact CB-NE2 3.39Å; S207-H376 PolarHBondContact OG-CE1 3.17Å; S207-H376 PolarHBondContact OG-NE2 3.36Å; C234-H376 PolarHBondContact O-CE1 3.44Å; D345-H376 WeakPolarHBondContact OD1-CB 3.46Å; D345-H376 IonicContact OD1-CG 3.79Å; D345-H376 IonicContact OD1-ND1 3.83Å; D345-H376 PolarHBondContact OD1-ND1 2.87Å; D345-H376 IonicContact OD2-CE1 3.55Å; D345-H376 IonicContact OD2-CG 2.65Å; D345-H376 IonicContact OD2-ND1 2.68Å; D345-H376 PolarHBondContact OD2-ND1 2.85Å; L347-H376 HydrophobicContact CD1-CB 4.08Å; L347-H376 HydrophobicContact CG-CB 4.16Å; H376-G378 PolarHBondContact O-N 3.36Å |
| 377 | L | 94.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 10.6 | -178.6 | -57.9 | 177.1 | 0 | 0 | 0 | 115.4 | Y83 R88 F206 V233 C234 G375 M393 | Y83-L377 HydrophobicContact CD1-CB 4.21Å; Y83-L377 HydrophobicContact CD2-CB 4.19Å; Y83-L377 HydrophobicContact CE1-CB 3.92Å; Y83-L377 HydrophobicContact CE1-CD1 4.08Å; Y83-L377 HydrophobicContact CE2-CB 3.86Å; Y83-L377 HydrophobicContact CE2-CD1 4.48Å; Y83-L377 HydrophobicContact CG-CB 4.35Å; Y83-L377 VanDerWaalsContact OH-CD1 3.31Å; Y83-L377 WeakPolarHBondContact OH-CD1 3.43Å; R88-L377 PolarHBondContact NH1-O 3.33Å; R88-L377 VanDerWaalsContact NH1-O 3.14Å; R88-L377 PolarHBondContact NH2-O 3.01Å; F206-L377 HydrophobicContact CB-CD1 4.4Å; F206-L377 HydrophobicContact CB-CD2 4.16Å; F206-L377 HydrophobicContact CD1-CD2 4.03Å; V233-L377 HydrophobicContact CG1-CD2 4.21Å; C234-L377 HydrophobicContact CB-CD2 3.81Å; C234-L377 HydrophobicContact CB-CG 4.17Å; C234-L377 PolarHBondContact SG-N 3.45Å; G375-L377 PolarHBondContact O-N 3.18Å; L377-M393 HydrophobicContact CD2-SD 3.97Å |
| 378 | G | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -72.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q79 R88 G374 H376 F380 | Q79-G378 VanDerWaalsContact OE1-C 3.24Å; R88-G378 PolarHBondContact NH1-O 2.97Å; G374-G378 CarbonylContact O-C 3.58Å; G374-G378 WeakPolarHBondContact O-CA 3.45Å; G374-G378 PolarHBondContact O-N 3.08Å; H376-G378 PolarHBondContact O-N 3.36Å; G378-F380 PolarHBondContact O-N 2.95Å |
| 379 | F | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | 43.3 | 27.4 | 179.7 | -62.2 | -78.2 | 0 | 0 | 0 | 115 | Y66 Q79 V233 C234 V340 A342 P371 G374 E381 T391 W392 M393 | Y66-F379 VanDerWaalsContact OH-CA 3.28Å; Y66-F379 WeakPolarHBondContact OH-CA 3.44Å; Q79-F379 VanDerWaalsContact OE1-N 3.1Å; V233-F379 HydrophobicContact CG1-CE2 3.91Å; V233-F379 HydrophobicContact CG1-CZ 4.48Å; C234-F379 VanDerWaalsContact SG-CE2 3.55Å; V340-F379 HydrophobicContact CG1-CZ 4.3Å; A342-F379 HydrophobicContact CB-CE1 4.04Å; A342-F379 HydrophobicContact CB-CZ 4Å; P371-F379 HydrophobicContact CG-CE1 4.04Å; G374-F379 PolarHBondContact O-N 3.37Å; F379-E381 PolarHBondContact O-N 3.16Å; F379-T391 VanDerWaalsContact O-CB 3.25Å; F379-T391 WeakPolarHBondContact O-CB 3.23Å; F379-W392 HydrophobicContact CB-CB 4.4Å; F379-W392 AromaticContact CD1-CE3 3.68Å; F379-W392 HydrophobicContact CD1-CE3 3.68Å; F379-W392 HydrophobicContact CD1-CZ3 4.06Å; F379-W392 HydrophobicContact CE1-CE3 4.17Å; F379-W392 HydrophobicContact CE1-CZ3 4.06Å; F379-W392 HydrophobicContact CG-CE3 4.33Å; F379-W392 PolarHBondContact O-N 3.45Å; F379-M393 HydrophobicContact CB-CB 3.74Å; F379-M393 HydrophobicContact CD2-CB 3.63Å; F379-M393 HydrophobicContact CD2-CG 4.15Å; F379-M393 HydrophobicContact CD2-SD 3.89Å; F379-M393 HydrophobicContact CE2-CB 4.37Å; F379-M393 HydrophobicContact CE2-SD 4.19Å; F379-M393 HydrophobicContact CG-CB 3.75Å | ||
| 380 | F | 93.5 | Very high | 89.9 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | trans | -62.8 | 134 | -176.8 | -69.2 | -70.3 | 0 | 0 | 0 | 110.1 | Y66 P68 P69 W72 L82 G87 G378 P387 T391 | Y66-F380 PolarHBondContact OH-N 3.25Å; Y66-F380 PolarHBondContact OH-O 2.82Å; P68-F380 WeakPolarHBondContact CA-O 3.25Å; P69-F380 WeakPolarHBondContact CD-O 3.44Å; P69-F380 HydrophobicContact CG-CB 4.41Å; W72-F380 HydrophobicContact CH2-CB 3.94Å; W72-F380 HydrophobicContact CH2-CD2 4.04Å; W72-F380 HydrophobicContact CH2-CG 4.07Å; W72-F380 HydrophobicContact CZ3-CB 4.31Å; W72-F380 HydrophobicContact CZ3-CD2 4.01Å; W72-F380 HydrophobicContact CZ3-CG 4.43Å; L82-F380 HydrophobicContact CB-CE2 4.18Å; L82-F380 HydrophobicContact CD2-CD2 4.28Å; L82-F380 HydrophobicContact CD2-CE2 4.07Å; L82-F380 HydrophobicContact CD2-CZ 4.45Å; L82-F380 HydrophobicContact CG-CE2 4.27Å; L82-F380 HydrophobicContact CG-CZ 4.5Å; G87-F380 WeakPolarHBondContact O-CZ 3.46Å; G378-F380 PolarHBondContact O-N 2.95Å; F380-P387 HydrophobicContact CB-CB 4.01Å; F380-P387 HydrophobicContact CD1-CB 3.84Å; F380-P387 HydrophobicContact CD1-CG 4.37Å; F380-P387 HydrophobicContact CG-CB 4.15Å; F380-T391 HydrophobicContact CD1-CG2 3.91Å; F380-T391 HydrophobicContact CE1-CG2 4.33Å | ||
| 381 | E | 90 | Very high | 89.7 | Confident | 29 Ų | 29 | 35.2 Ų | 35.2 | 14% | 0.136 | 19% | 0.192 | C | C | . | . | trans | -107.9 | 165.5 | 167.6 | -69.4 | 170.3 | 117.5 | 0 | 0 | 109.5 | Y66 F379 P387 E388 W392 K395 | Y66-E381 HydrophobicContact CD2-CG 4.17Å; Y66-E381 HydrophobicContact CE2-CG 3.75Å; F379-E381 PolarHBondContact O-N 3.16Å; E381-P387 CarbonylContact O-C 3.46Å; E381-P387 WeakPolarHBondContact O-CA 3.37Å; E381-E388 PolarHBondContact O-N 2.97Å; E381-W392 HydrophobicContact CG-CB 3.79Å; E381-W392 WeakPolarHBondContact OE2-CA 3.42Å; E381-W392 PolarHBondContact OE2-N 3.47Å; E381-W392 VanDerWaalsContact OE2-N 3.1Å; E381-K395 IonicContact OE1-NZ 2.83Å; E381-K395 PolarHBondContact OE1-NZ 3.04Å; E381-K395 WeakPolarHBondContact OE2-CE 3.3Å; E381-K395 IonicContact OE2-NZ 2.61Å; E381-K395 PolarHBondContact OE2-NZ 2.93Å | ||
| 382 | G | 80.4 | Confident | 89.7 | Confident | 24 Ų | 24 | 35.2 Ų | 35.2 | 25% | 0.247 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | 146.7 | -166.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 383 | S | 77.8 | Confident | 89.7 | Confident | 63 Ų | 63 | 32.3 Ų | 32.3 | 44% | 0.441 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -72.4 | -170.1 | -179.9 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | P69 L385 F386 | P69-S383 WeakPolarHBondContact CA-O 3.29Å; S383-L385 VanDerWaalsContact C-N 3.26Å; S383-L385 PolarHBondContact O-N 3.46Å; S383-L385 VanDerWaalsContact O-N 3.13Å; S383-F386 PolarHBondContact N-O 3.19Å; S383-F386 PolarHBondContact OG-O 3.4Å |
| 384 | V | 78.4 | Confident | 89.7 | Confident | 74 Ų | 74 | 32.1 Ų | 32.1 | 45% | 0.448 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -50 | -41.8 | -174.4 | -171 | 0 | 0 | 0 | 0 | 113.7 | L70 I71 | L70-V384 HydrophobicContact CB-CG1 4.42Å; L70-V384 HydrophobicContact CD1-CG2 4.15Å; I71-V384 HydrophobicContact CD1-CG1 3.62Å; I71-V384 HydrophobicContact CG1-CG1 3.87Å; I71-V384 PolarHBondContact N-O 3.2Å |
| 385 | L | 79.2 | Confident | 89.9 | Confident | 88 Ų | 88 | 34.7 Ų | 34.7 | 46% | 0.461 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -124.7 | -39.1 | -172.8 | -77.4 | 171.4 | 0 | 0 | 0 | 114.4 | I71 W72 S383 | I71-L385 HydrophobicContact CB-CD2 4.23Å; I71-L385 HydrophobicContact CD1-CD2 3.53Å; I71-L385 HydrophobicContact CD1-CG 3.93Å; I71-L385 HydrophobicContact CG1-CD2 4.39Å; I71-L385 HydrophobicContact CG2-CD2 4.33Å; W72-L385 PolarHBondContact NE1-O 2.79Å; S383-L385 VanDerWaalsContact C-N 3.26Å; S383-L385 PolarHBondContact O-N 3.46Å; S383-L385 VanDerWaalsContact O-N 3.13Å |
| 386 | F | 82.3 | Confident | 90.1 | Very high | 157 Ų | 157 | 34.7 Ų | 34.7 | 69% | 0.689 | 19% | 0.187 | S | C | * | . | P | Polyproline II helix | trans | -100.5 | 125.4 | -171 | -60.7 | -69.6 | 0 | 0 | 0 | 110.7 | S383 | S383-F386 PolarHBondContact N-O 3.19Å; S383-F386 PolarHBondContact OG-O 3.4Å |
| 387 | P | 85 | Confident | 90.2 | Very high | 25 Ų | 25 | 34.1 Ų | 34.1 | 16% | 0.162 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 149.5 | 175.8 | 26 | -21 | 0 | 0 | 0 | 111.2 | P69 W72 V89 F380 E381 | P69-P387 HydrophobicContact CG-CB 4.41Å; W72-P387 HydrophobicContact CH2-CB 4.05Å; W72-P387 HydrophobicContact CH2-CG 3.96Å; W72-P387 HydrophobicContact CZ2-CB 4.12Å; W72-P387 HydrophobicContact CZ2-CG 3.83Å; V89-P387 HydrophobicContact CG2-CB 4.29Å; V89-P387 HydrophobicContact CG2-CG 3.74Å; F380-P387 HydrophobicContact CB-CB 4.01Å; F380-P387 HydrophobicContact CD1-CB 3.84Å; F380-P387 HydrophobicContact CD1-CG 4.37Å; F380-P387 HydrophobicContact CG-CB 4.15Å; E381-P387 CarbonylContact O-C 3.46Å; E381-P387 WeakPolarHBondContact O-CA 3.37Å |
| 388 | E | 88.7 | Confident | 90.4 | Very high | 104 Ų | 104 | 34.1 Ų | 34.1 | 49% | 0.486 | 18% | 0.184 | S | C | . | . | P | Polyproline II helix | trans | -70 | 154.9 | 170.2 | -65.9 | -58.8 | 150.3 | 0 | 0 | 110.9 | E381 L390 | E381-E388 PolarHBondContact O-N 2.97Å; E388-L390 VanDerWaalsContact C-N 3.34Å; E388-L390 PolarHBondContact O-N 2.99Å |
| 389 | P | 87.8 | Confident | 90.7 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 25% | 0.253 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -61.5 | -40.3 | 176.3 | -25.1 | 35.5 | 0 | 0 | 0 | 113.4 | V89 R90 T145 | V89-P389 WeakPolarHBondContact O-CA 3.16Å; V89-P389 WeakPolarHBondContact O-CB 3.41Å; R90-P389 HydrophobicContact CB-CG 4.3Å; T145-P389 WeakPolarHBondContact CG2-O 3.45Å |
| 390 | L | 92.3 | Very high | 90.9 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 27% | 0.272 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -88.8 | 141.2 | 175.5 | -71.6 | 170.7 | 0 | 0 | 0 | 110.2 | T145 Y149 E388 D394 | T145-L390 HydrophobicContact CG2-CD2 3.81Å; Y149-L390 HydrophobicContact CD1-CD2 4.4Å; Y149-L390 HydrophobicContact CD2-CD1 3.46Å; Y149-L390 VanDerWaalsContact CD2-CD1 3.46Å; Y149-L390 HydrophobicContact CD2-CD2 3.81Å; Y149-L390 HydrophobicContact CD2-CG 4.31Å; Y149-L390 HydrophobicContact CE2-CD1 3.64Å; Y149-L390 HydrophobicContact CG-CD1 4.2Å; Y149-L390 HydrophobicContact CG-CD2 3.7Å; E388-L390 VanDerWaalsContact C-N 3.34Å; E388-L390 PolarHBondContact O-N 2.99Å; L390-D394 HydrophobicContact CD2-CB 4.34Å |
| 391 | T | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -102.7 | 165 | 177.4 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | R88 F379 F380 M393 D394 K395 | R88-T391 VanDerWaalsContact NH1-CG2 3.31Å; R88-T391 PolarHBondContact NH2-OG1 3.44Å; R88-T391 VanDerWaalsContact NH2-OG1 3.12Å; F379-T391 VanDerWaalsContact O-CB 3.25Å; F379-T391 WeakPolarHBondContact O-CB 3.23Å; F380-T391 HydrophobicContact CD1-CG2 3.91Å; F380-T391 HydrophobicContact CE1-CG2 4.33Å; T391-M393 PolarHBondContact O-N 3.18Å; T391-D394 WeakPolarHBondContact CB-OD2 3.47Å; T391-D394 PolarHBondContact N-OD2 2.67Å; T391-D394 PolarHBondContact O-N 3.06Å; T391-D394 VanDerWaalsContact O-N 3.17Å; T391-D394 PolarHBondContact OG1-N 2.9Å; T391-D394 PolarHBondContact OG1-OD1 3.22Å; T391-D394 PolarHBondContact OG1-OD2 3.4Å; T391-K395 PolarHBondContact O-N 3.29Å | ||
| 392 | W | 96.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -39.8 | 176.6 | 178.1 | 88.6 | 0 | 0 | 0 | 111.2 | P42 Y66 V340 V369 P371 F379 E381 K395 L396 | P42-W392 HydrophobicContact CG-CZ2 4.21Å; Y66-W392 HydrophobicContact CD2-CB 3.58Å; Y66-W392 AromaticContact CD2-CD1 3.63Å; Y66-W392 HydrophobicContact CD2-CD2 4.18Å; Y66-W392 AromaticContact CD2-CG 3.51Å; Y66-W392 HydrophobicContact CD2-CG 3.51Å; Y66-W392 HydrophobicContact CE2-CB 3.53Å; Y66-W392 AromaticContact CE2-CG 3.98Å; Y66-W392 HydrophobicContact CE2-CG 3.98Å; Y66-W392 HydrophobicContact CG-CG 4.27Å; V340-W392 HydrophobicContact CG1-CZ3 4.14Å; V369-W392 HydrophobicContact CG1-CH2 3.95Å; P371-W392 HydrophobicContact CG-CE3 4.33Å; P371-W392 HydrophobicContact CG-CH2 3.35Å; P371-W392 HydrophobicContact CG-CZ2 4.16Å; P371-W392 HydrophobicContact CG-CZ3 3.48Å; P371-W392 VanDerWaalsContact CG-CZ3 3.48Å; F379-W392 HydrophobicContact CB-CB 4.4Å; F379-W392 AromaticContact CD1-CE3 3.68Å; F379-W392 HydrophobicContact CD1-CE3 3.68Å; F379-W392 HydrophobicContact CD1-CZ3 4.06Å; F379-W392 HydrophobicContact CE1-CE3 4.17Å; F379-W392 HydrophobicContact CE1-CZ3 4.06Å; F379-W392 HydrophobicContact CG-CE3 4.33Å; F379-W392 PolarHBondContact O-N 3.45Å; E381-W392 HydrophobicContact CG-CB 3.79Å; E381-W392 WeakPolarHBondContact OE2-CA 3.42Å; E381-W392 PolarHBondContact OE2-N 3.47Å; E381-W392 VanDerWaalsContact OE2-N 3.1Å; W392-K395 PolarHBondContact O-N 2.87Å; W392-L396 HydrophobicContact CE3-CB 4.5Å; W392-L396 HydrophobicContact CE3-CD2 4.37Å; W392-L396 HydrophobicContact CH2-CD2 3.34Å; W392-L396 HydrophobicContact CH2-CG 4.36Å; W392-L396 HydrophobicContact CZ2-CD2 3.97Å; W392-L396 HydrophobicContact CZ3-CB 4.47Å; W392-L396 HydrophobicContact CZ3-CD2 3.55Å; W392-L396 WeakPolarHBondContact O-CB 3.44Å; W392-L396 PolarHBondContact O-N 3.26Å |
| 393 | M | 95.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 176.6 | 175.4 | -167.8 | 78.9 | 0 | 0 | 112.4 | R88 F206 V233 L377 F379 T391 K395 L396 V397 | R88-M393 VanDerWaalsContact NH2-CE 3.3Å; F206-M393 HydrophobicContact CD1-CE 4.03Å; F206-M393 HydrophobicContact CD1-SD 4.01Å; F206-M393 HydrophobicContact CE1-CE 3.58Å; F206-M393 HydrophobicContact CE1-SD 3.84Å; F206-M393 HydrophobicContact CZ-CE 4.47Å; V233-M393 HydrophobicContact CB-CG 4.48Å; V233-M393 HydrophobicContact CB-SD 4.06Å; V233-M393 HydrophobicContact CG1-CG 3.83Å; V233-M393 HydrophobicContact CG1-SD 3.41Å; V233-M393 WeakPolarHBondContact CG1-SD 3.13Å; V233-M393 HydrophobicContact CG2-CG 4.16Å; V233-M393 HydrophobicContact CG2-SD 4.3Å; L377-M393 HydrophobicContact CD2-SD 3.97Å; F379-M393 HydrophobicContact CB-CB 3.74Å; F379-M393 HydrophobicContact CD2-CB 3.63Å; F379-M393 HydrophobicContact CD2-CG 4.15Å; F379-M393 HydrophobicContact CD2-SD 3.89Å; F379-M393 HydrophobicContact CE2-CB 4.37Å; F379-M393 HydrophobicContact CE2-SD 4.19Å; F379-M393 HydrophobicContact CG-CB 3.75Å; T391-M393 PolarHBondContact O-N 3.18Å; M393-K395 VanDerWaalsContact C-N 3.27Å; M393-K395 PolarHBondContact O-N 3.12Å; M393-L396 PolarHBondContact O-N 3.27Å; M393-V397 HydrophobicContact CG-CG2 4.36Å; M393-V397 WeakPolarHBondContact O-CG2 3.08Å; M393-V397 PolarHBondContact O-N 3.3Å |
| 394 | D | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | -178 | -55.6 | -42.9 | 0 | 0 | 0 | 110.4 | R88 F146 L390 T391 | R88-D394 IonicContact NE-OD2 2.73Å; R88-D394 IonicContact NH2-OD1 2.76Å; F146-D394 HydrophobicContact CD2-CB 4.2Å; L390-D394 HydrophobicContact CD2-CB 4.34Å; T391-D394 WeakPolarHBondContact CB-OD2 3.47Å; T391-D394 PolarHBondContact N-OD2 2.67Å; T391-D394 PolarHBondContact O-N 3.06Å; T391-D394 VanDerWaalsContact O-N 3.17Å; T391-D394 PolarHBondContact OG1-N 2.9Å; T391-D394 PolarHBondContact OG1-OD1 3.22Å; T391-D394 PolarHBondContact OG1-OD2 3.4Å |
| 395 | K | 97.6 | Very high | 94.2 | Very high | 53 Ų | 53 | 28.8 Ų | 28.8 | 23% | 0.23 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.9 | -46.4 | 176.2 | -64.6 | -177.6 | -65 | 177.3 | 0 | 112.5 | L61 Y149 E381 T391 W392 M393 V397 V398 E399 | L61-K395 HydrophobicContact CD1-CB 3.58Å; Y149-K395 HydrophobicContact CE1-CG 4.24Å; E381-K395 IonicContact OE1-NZ 2.83Å; E381-K395 PolarHBondContact OE1-NZ 3.04Å; E381-K395 WeakPolarHBondContact OE2-CE 3.3Å; E381-K395 IonicContact OE2-NZ 2.61Å; E381-K395 PolarHBondContact OE2-NZ 2.93Å; T391-K395 PolarHBondContact O-N 3.29Å; W392-K395 PolarHBondContact O-N 2.87Å; M393-K395 VanDerWaalsContact C-N 3.27Å; M393-K395 PolarHBondContact O-N 3.12Å; K395-V397 VanDerWaalsContact C-N 3.34Å; K395-V397 PolarHBondContact O-N 2.8Å; K395-V398 PolarHBondContact O-N 2.83Å; K395-E399 VanDerWaalsContact O-CB 3.26Å; K395-E399 WeakPolarHBondContact O-CB 3.37Å; K395-E399 PolarHBondContact O-N 3.39Å |
| 396 | L | 98.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.4 | -47.1 | -179.9 | 174.8 | 68.6 | 0 | 0 | 0 | 111.3 | L61 L62 M338 V340 V369 W392 M393 V398 E399 Y400 | L61-L396 HydrophobicContact CB-CD1 3.94Å; L61-L396 HydrophobicContact CD1-CB 4.3Å; L62-L396 HydrophobicContact CD2-CD1 3.85Å; L62-L396 HydrophobicContact CG-CD1 4.29Å; M338-L396 HydrophobicContact CE-CD2 4.15Å; M338-L396 HydrophobicContact CE-CG 3.97Å; M338-L396 HydrophobicContact SD-CD1 4.46Å; M338-L396 HydrophobicContact SD-CD2 4.29Å; M338-L396 HydrophobicContact SD-CG 4.39Å; V340-L396 HydrophobicContact CG1-CD2 4.3Å; V340-L396 HydrophobicContact CG2-CD2 4Å; V369-L396 HydrophobicContact CG1-CD2 4.35Å; W392-L396 HydrophobicContact CE3-CB 4.5Å; W392-L396 HydrophobicContact CE3-CD2 4.37Å; W392-L396 HydrophobicContact CH2-CD2 3.34Å; W392-L396 HydrophobicContact CH2-CG 4.36Å; W392-L396 HydrophobicContact CZ2-CD2 3.97Å; W392-L396 HydrophobicContact CZ3-CB 4.47Å; W392-L396 HydrophobicContact CZ3-CD2 3.55Å; W392-L396 WeakPolarHBondContact O-CB 3.44Å; W392-L396 PolarHBondContact O-N 3.26Å; M393-L396 PolarHBondContact O-N 3.27Å; L396-V398 VanDerWaalsContact C-N 3.34Å; L396-V398 PolarHBondContact O-N 2.89Å; L396-E399 PolarHBondContact O-N 3.05Å; L396-Y400 VanDerWaalsContact O-CB 3.25Å; L396-Y400 WeakPolarHBondContact O-CB 3.5Å; L396-Y400 PolarHBondContact O-N 3.37Å |
| 397 | V | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | -177.1 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | F146 V204 V231 V233 M393 K395 A401 | F146-V397 HydrophobicContact CE2-CB 3.87Å; F146-V397 HydrophobicContact CE2-CG1 3.71Å; F146-V397 HydrophobicContact CZ-CB 4.25Å; F146-V397 HydrophobicContact CZ-CG1 3.56Å; V204-V397 HydrophobicContact CG1-CG1 4.05Å; V204-V397 HydrophobicContact CG2-CG1 4.02Å; V231-V397 HydrophobicContact CB-CG1 4.25Å; V231-V397 HydrophobicContact CG1-CB 4.43Å; V231-V397 HydrophobicContact CG1-CG1 4.22Å; V231-V397 HydrophobicContact CG1-CG2 3.81Å; V231-V397 HydrophobicContact CG2-CG1 4.36Å; V233-V397 HydrophobicContact CG2-CG2 4.05Å; M393-V397 HydrophobicContact CG-CG2 4.36Å; M393-V397 WeakPolarHBondContact O-CG2 3.08Å; M393-V397 PolarHBondContact O-N 3.3Å; K395-V397 VanDerWaalsContact C-N 3.34Å; K395-V397 PolarHBondContact O-N 2.8Å; V397-A401 VanDerWaalsContact O-CB 3.29Å; V397-A401 WeakPolarHBondContact O-CB 3.3Å; V397-A401 PolarHBondContact O-N 3.14Å |
| 398 | V | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.9 | -40.5 | 179 | 173 | 0 | 0 | 0 | 0 | 111.8 | M128 F146 Y149 A150 N153 Y155 K395 L396 A401 N402 | M128-V398 HydrophobicContact CE-CG2 4.22Å; F146-V398 HydrophobicContact CE2-CG2 4.01Å; Y149-V398 HydrophobicContact CD1-CB 4.15Å; Y149-V398 HydrophobicContact CD1-CG1 4.5Å; Y149-V398 HydrophobicContact CD1-CG2 3.66Å; Y149-V398 HydrophobicContact CE1-CB 3.77Å; Y149-V398 HydrophobicContact CE1-CG1 4.02Å; Y149-V398 HydrophobicContact CE1-CG2 3.83Å; A150-V398 HydrophobicContact CB-CG2 4.38Å; N153-V398 HydrophobicContact CB-CG1 3.74Å; Y155-V398 HydrophobicContact CE2-CG1 4.11Å; K395-V398 PolarHBondContact O-N 2.83Å; L396-V398 VanDerWaalsContact C-N 3.34Å; L396-V398 PolarHBondContact O-N 2.89Å; V398-A401 PolarHBondContact O-N 2.97Å; V398-N402 WeakPolarHBondContact O-CB 3.29Å; V398-N402 VanDerWaalsContact O-CG 3.27Å; V398-N402 PolarHBondContact O-N 3.36Å; V398-N402 PolarHBondContact O-ND2 2.88Å |
| 399 | E | 98.1 | Very high | 96.3 | Very high | 49 Ų | 49 | 23.7 Ų | 23.7 | 23% | 0.229 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 178.8 | -167.9 | 178.8 | 114.2 | 0 | 0 | 111.7 | C59 P60 L61 K395 L396 N402 A403 | C59-E399 WeakPolarHBondContact CA-OE1 3.43Å; C59-E399 HydrophobicContact CB-CG 4.25Å; C59-E399 PolarHBondContact SG-OE1 3.08Å; P60-E399 WeakPolarHBondContact CD-OE1 3.33Å; L61-E399 WeakPolarHBondContact CD1-OE2 3.4Å; L61-E399 WeakPolarHBondContact CG-OE2 3.47Å; L61-E399 PolarHBondContact N-OE1 3.45Å; K395-E399 VanDerWaalsContact O-CB 3.26Å; K395-E399 WeakPolarHBondContact O-CB 3.37Å; K395-E399 PolarHBondContact O-N 3.39Å; L396-E399 PolarHBondContact O-N 3.05Å; E399-N402 PolarHBondContact O-N 2.84Å; E399-A403 WeakPolarHBondContact O-CB 3.36Å; E399-A403 PolarHBondContact O-N 2.51Å |
| 400 | Y | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 172.4 | 176.2 | -92.1 | 0 | 0 | 0 | 111.6 | L55 C229 V231 M338 L396 N402 A403 I404 | L55-Y400 HydrophobicContact CD1-CE2 3.7Å; L55-Y400 HydrophobicContact CD2-CD2 3.84Å; L55-Y400 HydrophobicContact CD2-CE2 3.71Å; L55-Y400 HydrophobicContact CG-CE2 4.32Å; C229-Y400 HydrophobicContact CB-CE1 3.95Å; V231-Y400 HydrophobicContact CG2-CD1 3.57Å; V231-Y400 HydrophobicContact CG2-CE1 3.87Å; M338-Y400 HydrophobicContact CB-CD1 4.21Å; M338-Y400 HydrophobicContact CB-CD2 4.24Å; M338-Y400 HydrophobicContact CB-CE1 3.82Å; M338-Y400 HydrophobicContact CB-CE2 3.84Å; M338-Y400 HydrophobicContact CB-CG 4.42Å; M338-Y400 VanDerWaalsContact CE-CB 3.46Å; M338-Y400 HydrophobicContact CE-CD1 3.77Å; M338-Y400 HydrophobicContact CE-CD2 3.89Å; M338-Y400 HydrophobicContact CE-CE1 4.5Å; M338-Y400 HydrophobicContact CE-CG 3.42Å; M338-Y400 VanDerWaalsContact CE-CG 3.42Å; M338-Y400 HydrophobicContact CG-CD2 4.41Å; M338-Y400 HydrophobicContact CG-CE2 4.33Å; M338-Y400 HydrophobicContact SD-CD1 4.32Å; M338-Y400 HydrophobicContact SD-CD2 3.44Å; M338-Y400 WeakPolarHBondContact SD-CD2 3.47Å; M338-Y400 HydrophobicContact SD-CE2 3.92Å; M338-Y400 HydrophobicContact SD-CG 3.66Å; L396-Y400 VanDerWaalsContact O-CB 3.25Å; L396-Y400 WeakPolarHBondContact O-CB 3.5Å; L396-Y400 PolarHBondContact O-N 3.37Å; Y400-N402 VanDerWaalsContact C-N 3.35Å; Y400-N402 PolarHBondContact O-N 3.34Å; Y400-A403 PolarHBondContact O-N 2.96Å; Y400-I404 HydrophobicContact CD1-CG1 4.14Å; Y400-I404 HydrophobicContact CE1-CD1 4.31Å; Y400-I404 HydrophobicContact CE1-CG1 3.67Å; Y400-I404 HydrophobicContact CE2-CD1 4.4Å; Y400-I404 HydrophobicContact CE2-CG1 4.36Å; Y400-I404 WeakPolarHBondContact O-CG1 3.4Å; Y400-I404 PolarHBondContact O-N 3.25Å |
| 401 | A | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | M128 Y155 V202 V397 V398 A403 I404 C405 | M128-A401 HydrophobicContact CE-CB 3.7Å; Y155-A401 VanDerWaalsContact OH-C 3.31Å; Y155-A401 WeakPolarHBondContact OH-CB 3.24Å; V202-A401 HydrophobicContact CG1-CB 3.95Å; V202-A401 HydrophobicContact CG2-CB 4.23Å; V397-A401 VanDerWaalsContact O-CB 3.29Å; V397-A401 WeakPolarHBondContact O-CB 3.3Å; V397-A401 PolarHBondContact O-N 3.14Å; V398-A401 PolarHBondContact O-N 2.97Å; A401-A403 VanDerWaalsContact C-N 3.34Å; A401-A403 PolarHBondContact O-N 3.01Å; A401-I404 PolarHBondContact O-N 3.23Å; A401-C405 PolarHBondContact O-N 3.48Å; A401-C405 PolarHBondContact O-SG 2.99Å |
| 402 | N | 98.3 | Very high | 95.9 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 13% | 0.128 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.7 | -46.2 | 174.5 | -78.1 | -25.8 | 0 | 0 | 0 | 111.4 | H120 Y155 V398 E399 Y400 I404 C405 Q406 | H120-N402 PolarHBondContact NE2-OD1 3.47Å; Y155-N402 PolarHBondContact OH-N 3.32Å; Y155-N402 PolarHBondContact OH-OD1 3.48Å; V398-N402 WeakPolarHBondContact O-CB 3.29Å; V398-N402 VanDerWaalsContact O-CG 3.27Å; V398-N402 PolarHBondContact O-N 3.36Å; V398-N402 PolarHBondContact O-ND2 2.88Å; E399-N402 PolarHBondContact O-N 2.84Å; Y400-N402 VanDerWaalsContact C-N 3.35Å; Y400-N402 PolarHBondContact O-N 3.34Å; N402-I404 PolarHBondContact O-N 3.04Å; N402-C405 PolarHBondContact O-N 2.83Å; N402-Q406 WeakPolarHBondContact O-CG 3.41Å; N402-Q406 PolarHBondContact O-N 3.29Å |
| 403 | A | 98.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F54 L55 E399 Y400 A401 C405 Q406 W407 | F54-A403 HydrophobicContact CE1-CB 4.31Å; F54-A403 VanDerWaalsContact CE1-O 3.25Å; F54-A403 WeakPolarHBondContact CE1-O 3.5Å; L55-A403 HydrophobicContact CD2-CB 3.96Å; E399-A403 WeakPolarHBondContact O-CB 3.36Å; E399-A403 PolarHBondContact O-N 2.51Å; Y400-A403 PolarHBondContact O-N 2.96Å; A401-A403 VanDerWaalsContact C-N 3.34Å; A401-A403 PolarHBondContact O-N 3.01Å; A403-C405 VanDerWaalsContact C-N 3.35Å; A403-C405 PolarHBondContact O-N 3.42Å; A403-Q406 PolarHBondContact O-N 3.39Å; A403-W407 WeakPolarHBondContact O-CB 3.45Å; A403-W407 PolarHBondContact O-N 3.11Å |
| 404 | I | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.9 | -67.4 | -64.9 | 0 | 0 | 0 | 111.5 | L51 L55 L228 C229 P336 Y400 A401 N402 Q406 W407 E408 | L51-I404 HydrophobicContact CD1-CD1 3.8Å; L55-I404 HydrophobicContact CD1-CD1 4.44Å; L55-I404 HydrophobicContact CD2-CD1 3.87Å; L55-I404 HydrophobicContact CD2-CG1 4.28Å; L228-I404 HydrophobicContact CB-CG2 4Å; L228-I404 WeakPolarHBondContact O-CG2 3.37Å; C229-I404 HydrophobicContact CB-CB 4.32Å; C229-I404 HydrophobicContact CB-CG1 3.95Å; C229-I404 HydrophobicContact CB-CG2 3.92Å; P336-I404 HydrophobicContact CB-CD1 3.71Å; P336-I404 HydrophobicContact CG-CD1 4.09Å; Y400-I404 HydrophobicContact CD1-CG1 4.14Å; Y400-I404 HydrophobicContact CE1-CD1 4.31Å; Y400-I404 HydrophobicContact CE1-CG1 3.67Å; Y400-I404 HydrophobicContact CE2-CD1 4.4Å; Y400-I404 HydrophobicContact CE2-CG1 4.36Å; Y400-I404 WeakPolarHBondContact O-CG1 3.4Å; Y400-I404 PolarHBondContact O-N 3.25Å; A401-I404 PolarHBondContact O-N 3.23Å; N402-I404 PolarHBondContact O-N 3.04Å; I404-Q406 VanDerWaalsContact C-N 3.3Å; I404-Q406 PolarHBondContact O-N 3.2Å; I404-W407 WeakPolarHBondContact O-CB 3.25Å; I404-W407 PolarHBondContact O-N 2.92Å; I404-E408 HydrophobicContact CG2-CG 4.46Å; I404-E408 PolarHBondContact O-N 3.33Å |
| 405 | C | 97.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 179.3 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | V122 I126 A401 N402 A403 R409 | V122-C405 HydrophobicContact CG1-CB 4.26Å; V122-C405 HydrophobicContact CG2-CB 4.02Å; I126-C405 HydrophobicContact CD1-CB 4.11Å; I126-C405 VanDerWaalsContact CD1-SG 3.53Å; A401-C405 PolarHBondContact O-N 3.48Å; A401-C405 PolarHBondContact O-SG 2.99Å; N402-C405 PolarHBondContact O-N 2.83Å; A403-C405 VanDerWaalsContact C-N 3.35Å; A403-C405 PolarHBondContact O-N 3.42Å; C405-R409 WeakPolarHBondContact O-CB 3.49Å; C405-R409 PolarHBondContact O-N 3.12Å |
| 406 | Q | 97.2 | Very high | 91.3 | Very high | 71 Ų | 71 | 44.5 Ų | 44.5 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 174.8 | -69.7 | 171.6 | 2.6 | 0 | 0 | 112.2 | F54 V122 N402 A403 I404 R409 N410 | F54-Q406 HydrophobicContact CZ-CB 4.12Å; V122-Q406 HydrophobicContact CG1-CB 4.47Å; V122-Q406 HydrophobicContact CG1-CG 3.77Å; N402-Q406 WeakPolarHBondContact O-CG 3.41Å; N402-Q406 PolarHBondContact O-N 3.29Å; A403-Q406 PolarHBondContact O-N 3.39Å; I404-Q406 VanDerWaalsContact C-N 3.3Å; I404-Q406 PolarHBondContact O-N 3.2Å; Q406-R409 PolarHBondContact O-N 3.32Å; Q406-N410 WeakPolarHBondContact O-CB 3.41Å; Q406-N410 PolarHBondContact O-N 3.04Å; Q406-N410 PolarHBondContact O-ND2 3.48Å; Q406-N410 PolarHBondContact O-OD1 3.37Å |
| 407 | W | 96.4 | Very high | 89.6 | Confident | 56 Ų | 56 | 48.1 Ų | 48.1 | 21% | 0.212 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -49.6 | 177.2 | 172.4 | -101 | 0 | 0 | 0 | 112.1 | L51 F54 A403 I404 R409 N410 K411 | L51-W407 HydrophobicContact CB-CZ2 4.28Å; L51-W407 HydrophobicContact CD1-CD2 4.15Å; L51-W407 HydrophobicContact CD1-CG 3.97Å; F54-W407 HydrophobicContact CB-CE3 3.63Å; F54-W407 HydrophobicContact CB-CZ3 3.76Å; F54-W407 HydrophobicContact CD1-CB 3.96Å; F54-W407 HydrophobicContact CD1-CD2 4.45Å; F54-W407 AromaticContact CD1-CE3 3.93Å; F54-W407 HydrophobicContact CD1-CE3 3.93Å; F54-W407 AromaticContact CD2-CE3 3.72Å; F54-W407 HydrophobicContact CD2-CE3 3.72Å; F54-W407 HydrophobicContact CD2-CZ3 4.17Å; F54-W407 HydrophobicContact CE1-CB 3.85Å; F54-W407 HydrophobicContact CE2-CE3 4.37Å; F54-W407 HydrophobicContact CG-CD2 4.38Å; F54-W407 AromaticContact CG-CE3 3.46Å; F54-W407 HydrophobicContact CG-CE3 3.46Å; F54-W407 VanDerWaalsContact CG-CE3 3.46Å; F54-W407 HydrophobicContact CG-CZ3 4.03Å; F54-W407 HydrophobicContact CZ-CB 4.38Å; A403-W407 WeakPolarHBondContact O-CB 3.45Å; A403-W407 PolarHBondContact O-N 3.11Å; I404-W407 WeakPolarHBondContact O-CB 3.25Å; I404-W407 PolarHBondContact O-N 2.92Å; W407-R409 VanDerWaalsContact C-N 3.35Å; W407-R409 PolarHBondContact O-N 3.3Å; W407-N410 PolarHBondContact O-N 3.42Å; W407-K411 HydrophobicContact CZ2-CD 4.1Å; W407-K411 WeakPolarHBondContact O-CG 3.5Å; W407-K411 PolarHBondContact O-N 3.09Å; W407-K411 VanDerWaalsContact O-N 3.12Å |
| 408 | E | 94.5 | Very high | 87.7 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 178.8 | -68.6 | -57.4 | 138.3 | 0 | 0 | 111.8 | L228 I404 N410 K411 L412 | L228-E408 HydrophobicContact CD2-CB 4.22Å; L228-E408 HydrophobicContact CD2-CG 4Å; I404-E408 HydrophobicContact CG2-CG 4.46Å; I404-E408 PolarHBondContact O-N 3.33Å; E408-N410 VanDerWaalsContact C-N 3.35Å; E408-N410 PolarHBondContact O-N 3.38Å; E408-K411 PolarHBondContact O-N 3.08Å; E408-L412 WeakPolarHBondContact O-CG 3.49Å; E408-L412 PolarHBondContact O-N 2.99Å |
| 409 | R | 91.2 | Very high | 85.2 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 174.4 | -173.1 | 68 | 177.6 | 107.7 | -3.9 | 112.3 | C405 Q406 W407 K411 L412 Q413 | C405-R409 WeakPolarHBondContact O-CB 3.49Å; C405-R409 PolarHBondContact O-N 3.12Å; Q406-R409 PolarHBondContact O-N 3.32Å; W407-R409 VanDerWaalsContact C-N 3.35Å; W407-R409 PolarHBondContact O-N 3.3Å; R409-K411 VanDerWaalsContact C-N 3.34Å; R409-L412 PolarHBondContact O-N 2.84Å; R409-Q413 WeakPolarHBondContact O-CG 3.47Å; R409-Q413 PolarHBondContact O-N 3.48Å |
| 410 | N | 91.4 | Very high | 83.1 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 178.8 | -68.5 | -15.7 | 0 | 0 | 0 | 111.8 | Q406 W407 E408 L412 Q413 C414 | Q406-N410 WeakPolarHBondContact O-CB 3.41Å; Q406-N410 PolarHBondContact O-N 3.04Å; Q406-N410 PolarHBondContact O-ND2 3.48Å; Q406-N410 PolarHBondContact O-OD1 3.37Å; W407-N410 PolarHBondContact O-N 3.42Å; E408-N410 VanDerWaalsContact C-N 3.35Å; E408-N410 PolarHBondContact O-N 3.38Å; N410-L412 VanDerWaalsContact C-N 3.35Å; N410-L412 PolarHBondContact O-N 3.39Å; N410-Q413 PolarHBondContact O-N 3.21Å; N410-C414 PolarHBondContact O-N 3.3Å; N410-C414 VanDerWaalsContact O-N 3.08Å; N410-C414 PolarHBondContact O-SG 3.47Å |
| 411 | K | 89 | Confident | 81.1 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 47% | 0.474 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 176.9 | -72.5 | 178.1 | 71.9 | -165.4 | 0 | 112.3 | W407 E408 R409 C414 S415 | W407-K411 HydrophobicContact CZ2-CD 4.1Å; W407-K411 WeakPolarHBondContact O-CG 3.5Å; W407-K411 PolarHBondContact O-N 3.09Å; W407-K411 VanDerWaalsContact O-N 3.12Å; E408-K411 PolarHBondContact O-N 3.08Å; R409-K411 VanDerWaalsContact C-N 3.34Å; K411-C414 PolarHBondContact O-N 3.32Å; K411-S415 PolarHBondContact O-N 3.45Å; K411-S415 VanDerWaalsContact O-N 3.13Å; K411-S415 PolarHBondContact O-OG 3.19Å |
| 412 | L | 84.1 | Confident | 79.1 | Confident | 96 Ų | 96 | 70.5 Ų | 70.5 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 177.1 | -67.3 | 170.4 | 0 | 0 | 0 | 112 | E408 R409 N410 S415 D416 | E408-L412 WeakPolarHBondContact O-CG 3.49Å; E408-L412 PolarHBondContact O-N 2.99Å; R409-L412 PolarHBondContact O-N 2.84Å; N410-L412 VanDerWaalsContact C-N 3.35Å; N410-L412 PolarHBondContact O-N 3.39Å; L412-S415 WeakPolarHBondContact CA-OG 3.37Å; L412-S415 PolarHBondContact O-N 3.42Å; L412-S415 PolarHBondContact O-OG 3.39Å; L412-D416 PolarHBondContact O-N 3.13Å |
| 413 | Q | 80.7 | Confident | 77.4 | Confident | 86 Ų | 86 | 75.2 Ų | 75.2 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 177.4 | -70.4 | 177 | -7.9 | 0 | 0 | 112.8 | R409 N410 D416 T417 | R409-Q413 WeakPolarHBondContact O-CG 3.47Å; R409-Q413 PolarHBondContact O-N 3.48Å; N410-Q413 PolarHBondContact O-N 3.21Å; Q413-D416 PolarHBondContact O-N 3.5Å; Q413-T417 PolarHBondContact O-N 2.94Å; Q413-T417 PolarHBondContact O-OG1 3.48Å |
| 414 | C | 75.4 | Confident | 75.9 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 52% | 0.52 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 174.4 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | N410 K411 D416 T417 E418 | N410-C414 PolarHBondContact O-N 3.3Å; N410-C414 VanDerWaalsContact O-N 3.08Å; N410-C414 PolarHBondContact O-SG 3.47Å; K411-C414 PolarHBondContact O-N 3.32Å; C414-D416 PolarHBondContact O-N 3.49Å; C414-T417 PolarHBondContact O-N 2.98Å; C414-E418 WeakPolarHBondContact O-CG 3.31Å; C414-E418 PolarHBondContact O-N 3.3Å |
| 415 | S | 69.6 | Low | 74 | Confident | 52 Ų | 52 | 92.9 Ų | 92.9 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 176.6 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | K411 L412 T417 E418 Q419 | K411-S415 PolarHBondContact O-N 3.45Å; K411-S415 VanDerWaalsContact O-N 3.13Å; K411-S415 PolarHBondContact O-OG 3.19Å; L412-S415 WeakPolarHBondContact CA-OG 3.37Å; L412-S415 PolarHBondContact O-N 3.42Å; L412-S415 PolarHBondContact O-OG 3.39Å; S415-T417 VanDerWaalsContact C-N 3.3Å; S415-T417 PolarHBondContact O-N 3.47Å; S415-E418 PolarHBondContact O-N 2.77Å; S415-Q419 VanDerWaalsContact O-CB 3.31Å; S415-Q419 WeakPolarHBondContact O-CB 3.22Å; S415-Q419 PolarHBondContact O-N 3.06Å |
| 416 | D | 65.6 | Low | 72.9 | Confident | 90 Ų | 90 | 97.3 Ų | 97.3 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -37 | 175.5 | -68.5 | -17.1 | 0 | 0 | 0 | 111.1 | L412 Q413 C414 V420 | L412-D416 PolarHBondContact O-N 3.13Å; Q413-D416 PolarHBondContact O-N 3.5Å; C414-D416 PolarHBondContact O-N 3.49Å; D416-V420 WeakPolarHBondContact O-CB 3.37Å; D416-V420 WeakPolarHBondContact O-CG2 3.41Å; D416-V420 PolarHBondContact O-N 3.42Å |
| 417 | T | 61.2 | Low | 71.6 | Confident | 77 Ų | 77 | 98.7 Ų | 98.7 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.8 | -45.2 | 178.1 | -49.5 | 0 | 0 | 0 | 0 | 111.3 | Q413 C414 S415 Q419 V420 E421 | Q413-T417 PolarHBondContact O-N 2.94Å; Q413-T417 PolarHBondContact O-OG1 3.48Å; C414-T417 PolarHBondContact O-N 2.98Å; S415-T417 VanDerWaalsContact C-N 3.3Å; S415-T417 PolarHBondContact O-N 3.47Å; T417-Q419 VanDerWaalsContact C-N 3.29Å; T417-Q419 PolarHBondContact O-N 2.96Å; T417-V420 PolarHBondContact O-N 2.89Å; T417-E421 WeakPolarHBondContact O-CG 3.47Å; T417-E421 PolarHBondContact O-N 3.25Å |
| 418 | E | 58.9 | Low | 70.2 | Confident | 134 Ų | 134 | 101.1 Ų | 101.1 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -36.4 | 175.4 | -72.4 | 176.7 | 179.1 | 0 | 0 | 111.9 | C414 S415 E421 A422 | C414-E418 WeakPolarHBondContact O-CG 3.31Å; C414-E418 PolarHBondContact O-N 3.3Å; S415-E418 PolarHBondContact O-N 2.77Å; E418-E421 PolarHBondContact O-N 2.91Å; E418-A422 VanDerWaalsContact O-CB 3.31Å; E418-A422 WeakPolarHBondContact O-CB 3.31Å; E418-A422 PolarHBondContact O-N 3.33Å |
| 419 | Q | 45.6 | Very low | 68.8 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.5 | -39.1 | 176.8 | -170.3 | 166.5 | -5 | 0 | 0 | 112.2 | S415 T417 A422 D423 | S415-Q419 VanDerWaalsContact O-CB 3.31Å; S415-Q419 WeakPolarHBondContact O-CB 3.22Å; S415-Q419 PolarHBondContact O-N 3.06Å; T417-Q419 VanDerWaalsContact C-N 3.29Å; T417-Q419 PolarHBondContact O-N 2.96Å; Q419-A422 PolarHBondContact O-N 3.37Å; Q419-D423 WeakPolarHBondContact O-CB 3.46Å; Q419-D423 VanDerWaalsContact O-CG 3.28Å; Q419-D423 PolarHBondContact O-N 2.88Å |
| 420 | V | 53.9 | Low | 67.4 | Low | 86 Ų | 86 | 104.9 Ų | 104.9 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.3 | -39.2 | 172.8 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | D416 T417 D423 L424 | D416-V420 WeakPolarHBondContact O-CB 3.37Å; D416-V420 WeakPolarHBondContact O-CG2 3.41Å; D416-V420 PolarHBondContact O-N 3.42Å; T417-V420 PolarHBondContact O-N 2.89Å; V420-D423 PolarHBondContact O-N 3.27Å; V420-L424 HydrophobicContact CG1-CD1 3.93Å; V420-L424 WeakPolarHBondContact O-CB 3.39Å; V420-L424 WeakPolarHBondContact O-CD1 3.45Å; V420-L424 WeakPolarHBondContact O-CG 3.19Å; V420-L424 PolarHBondContact O-N 3.2Å |
| 421 | E | 58.3 | Low | 65.8 | Low | 122 Ų | 122 | 107.1 Ų | 107.1 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65 | -42 | 174.3 | -74.6 | 179 | 176.3 | 0 | 0 | 111.5 | T417 E418 L424 E425 | T417-E421 WeakPolarHBondContact O-CG 3.47Å; T417-E421 PolarHBondContact O-N 3.25Å; E418-E421 PolarHBondContact O-N 2.91Å; E421-L424 PolarHBondContact O-N 3.49Å; E421-E425 PolarHBondContact O-N 3.49Å |
| 422 | A | 56.5 | Low | 64.1 | Low | 61 Ų | 61 | 106.9 Ų | 106.9 | 50% | 0.504 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.4 | -30.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E418 Q419 L424 | E418-A422 VanDerWaalsContact O-CB 3.31Å; E418-A422 WeakPolarHBondContact O-CB 3.31Å; E418-A422 PolarHBondContact O-N 3.33Å; Q419-A422 PolarHBondContact O-N 3.37Å; A422-L424 VanDerWaalsContact C-N 3.29Å |
| 423 | D | 61.9 | Low | 62.6 | Low | 123 Ų | 123 | 107.8 Ų | 107.8 | 66% | 0.658 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -77.7 | -14.4 | 175 | -74.5 | -20 | 0 | 0 | 0 | 112.5 | Q419 V420 | Q419-D423 WeakPolarHBondContact O-CB 3.46Å; Q419-D423 VanDerWaalsContact O-CG 3.28Å; Q419-D423 PolarHBondContact O-N 2.88Å; V420-D423 PolarHBondContact O-N 3.27Å |
| 424 | L | 67 | Low | 61.1 | Low | 141 Ų | 141 | 109.6 Ų | 109.6 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -94.1 | -17.1 | 177.5 | -75.6 | 169.6 | 0 | 0 | 0 | 113.9 | V420 E421 A422 | V420-L424 HydrophobicContact CG1-CD1 3.93Å; V420-L424 WeakPolarHBondContact O-CB 3.39Å; V420-L424 WeakPolarHBondContact O-CD1 3.45Å; V420-L424 WeakPolarHBondContact O-CG 3.19Å; V420-L424 PolarHBondContact O-N 3.2Å; E421-L424 PolarHBondContact O-N 3.49Å; A422-L424 VanDerWaalsContact C-N 3.29Å |
| 425 | E | 58.8 | Low | 59.8 | Low | 232 Ų | 232 | 112.5 Ų | 112.5 | 100% | 1.084 | 60% | 0.598 | S | S | * | * | trans | -83 | 0 | 170.4 | -70.7 | -170.3 | 163.1 | 0 | 0 | 112.1 | E421 | E421-E425 PolarHBondContact O-N 3.49Š|
Retrieved 425 of 425 residues in 1715.5 ms
(Link to these results)