| 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 | L | 63.8 | Low | 75.9 | Confident | 207 Ų | 207 | 111.1 Ų | 111.1 | 100% | 1.084 | 64% | 0.642 | S | S | * | * | 0 | 98.9 | 0 | -128.5 | 85.4 | 0 | 0 | 0 | 107.6 | I3 | L1-I3 HydrophobicContact CD2-CD1 4.1Å; L1-I3 HydrophobicContact CD2-CG1 4.36Å; L1-I3 PolarHBondContact O-N 3.25Å | |||
| 2 | L | 63.6 | Low | 77 | Confident | 182 Ų | 182 | 106.4 Ų | 106.4 | 95% | 0.953 | 62% | 0.621 | S | S | * | * | trans | -87.5 | 99.1 | 174.7 | -82.4 | 149.1 | 0 | 0 | 0 | 107.4 | ||||
| 3 | I | 66 | Low | 78 | Confident | 107 Ų | 107 | 106.2 Ų | 106.2 | 55% | 0.549 | 62% | 0.615 | S | S | . | * | trans | -84.3 | 113.2 | 175.6 | -71.1 | 145 | 0 | 0 | 0 | 107.2 | L1 I7 | L1-I3 HydrophobicContact CD2-CD1 4.1Å; L1-I3 HydrophobicContact CD2-CG1 4.36Å; L1-I3 PolarHBondContact O-N 3.25Å; I3-I7 HydrophobicContact CG2-CB 4.04Å; I3-I7 HydrophobicContact CG2-CD1 4.16Å; I3-I7 HydrophobicContact CG2-CG2 4.28Å | ||
| 4 | S | 70.6 | Confident | 79 | Confident | 64 Ų | 64 | 101.3 Ų | 101.3 | 45% | 0.448 | 60% | 0.599 | S | S | . | * | trans | -55.4 | 135.7 | 173 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | S6 I7 | S4-S6 PolarHBondContact O-N 3.35Å; S4-I7 WeakPolarHBondContact O-CB 3.26Å; S4-I7 PolarHBondContact O-N 2.8Å | ||
| 5 | P | 77.7 | Confident | 79.9 | Confident | 111 Ų | 111 | 105.3 Ų | 105.3 | 72% | 0.721 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -54.6 | -26.9 | -179.6 | -28.4 | 34.9 | 0 | 0 | 0 | 114.7 | I7 F8 I9 | P5-I7 PolarHBondContact O-N 3.13Å; P5-F8 WeakPolarHBondContact O-CB 3.09Å; P5-F8 PolarHBondContact O-N 3.1Å; P5-F8 VanDerWaalsContact O-N 3.16Å; P5-I9 PolarHBondContact O-N 3.39Å; P5-I9 VanDerWaalsContact O-N 3.14Å |
| 6 | S | 79.7 | Confident | 80.8 | Confident | 81 Ų | 81 | 105 Ų | 105 | 57% | 0.566 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.7 | -30.7 | 174.6 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | S4 F8 I9 G10 | S4-S6 PolarHBondContact O-N 3.35Å; S6-F8 VanDerWaalsContact C-N 3.33Å; S6-I9 WeakPolarHBondContact O-CG2 3.34Å; S6-G10 PolarHBondContact O-N 2.86Å |
| 7 | I | 80.7 | Confident | 81.6 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 52% | 0.523 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.9 | -34.2 | 178.6 | -57.5 | 153 | 0 | 0 | 0 | 109.8 | I3 S4 P5 G11 | I3-I7 HydrophobicContact CG2-CB 4.04Å; I3-I7 HydrophobicContact CG2-CD1 4.16Å; I3-I7 HydrophobicContact CG2-CG2 4.28Å; S4-I7 WeakPolarHBondContact O-CB 3.26Å; S4-I7 PolarHBondContact O-N 2.8Å; P5-I7 PolarHBondContact O-N 3.13Å; I7-G11 PolarHBondContact O-N 3.17Å |
| 8 | F | 80.6 | Confident | 82.3 | Confident | 161 Ų | 161 | 106.8 Ų | 106.8 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.7 | -44.8 | 175.1 | -166 | -96.2 | 0 | 0 | 0 | 111.3 | P5 S6 G11 S12 | P5-F8 WeakPolarHBondContact O-CB 3.09Å; P5-F8 PolarHBondContact O-N 3.1Å; P5-F8 VanDerWaalsContact O-N 3.16Å; S6-F8 VanDerWaalsContact C-N 3.33Å; F8-G11 PolarHBondContact O-N 3.34Å; F8-S12 WeakPolarHBondContact O-CB 3.16Å; F8-S12 PolarHBondContact O-N 2.94Å; F8-S12 PolarHBondContact O-OG 3.35Å |
| 9 | I | 80.9 | Confident | 82.9 | Confident | 119 Ų | 119 | 102.7 Ų | 102.7 | 61% | 0.61 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.5 | -44.6 | 178.6 | -143.1 | 73.4 | 0 | 0 | 0 | 111.2 | P5 S6 S12 L13 | P5-I9 PolarHBondContact O-N 3.39Å; P5-I9 VanDerWaalsContact O-N 3.14Å; S6-I9 WeakPolarHBondContact O-CG2 3.34Å; I9-S12 PolarHBondContact O-N 2.93Å; I9-S12 PolarHBondContact O-OG 3.04Å; I9-L13 PolarHBondContact O-N 3.38Å; I9-L13 VanDerWaalsContact O-N 3.11Å |
| 10 | G | 83.2 | Confident | 83.5 | Confident | 42 Ų | 42 | 102 Ų | 102 | 43% | 0.433 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.8 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S6 L13 G14 | S6-G10 PolarHBondContact O-N 2.86Å; G10-L13 PolarHBondContact O-N 2.79Å; G10-G14 PolarHBondContact O-N 3.2Å |
| 11 | G | 87.9 | Confident | 84 | Confident | 46 Ų | 46 | 103.3 Ų | 103.3 | 47% | 0.474 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.3 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I7 F8 G14 F15 | I7-G11 PolarHBondContact O-N 3.17Å; F8-G11 PolarHBondContact O-N 3.34Å; G11-G14 PolarHBondContact O-N 3.09Å; G11-F15 WeakPolarHBondContact O-CB 3.48Å; G11-F15 PolarHBondContact O-N 2.86Å |
| 12 | S | 89.1 | Confident | 85.4 | Confident | 55 Ų | 55 | 99.3 Ų | 99.3 | 39% | 0.385 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64 | -41.9 | 177.6 | 73.5 | 0 | 0 | 0 | 0 | 112.4 | F8 I9 F15 L16 | F8-S12 WeakPolarHBondContact O-CB 3.16Å; F8-S12 PolarHBondContact O-N 2.94Å; F8-S12 PolarHBondContact O-OG 3.35Å; I9-S12 PolarHBondContact O-N 2.93Å; I9-S12 PolarHBondContact O-OG 3.04Å; S12-F15 PolarHBondContact O-N 3.07Å; S12-L16 WeakPolarHBondContact O-CB 3.34Å; S12-L16 PolarHBondContact O-N 2.93Å |
| 13 | L | 90.4 | Very high | 86.9 | Confident | 103 Ų | 103 | 94.3 Ų | 94.3 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 177.8 | -174.1 | 62 | 0 | 0 | 0 | 111.5 | I9 G10 L16 L17 | I9-L13 PolarHBondContact O-N 3.38Å; I9-L13 VanDerWaalsContact O-N 3.11Å; G10-L13 PolarHBondContact O-N 2.79Å; L13-L16 PolarHBondContact O-N 2.76Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 2.72Å |
| 14 | G | 91.8 | Very high | 88.2 | Confident | 38 Ų | 38 | 94 Ų | 94 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G10 G11 L17 F18 | G10-G14 PolarHBondContact O-N 3.2Å; G11-G14 PolarHBondContact O-N 3.09Å; G14-L17 PolarHBondContact O-N 3Å; G14-F18 VanDerWaalsContact O-CB 3.28Å; G14-F18 WeakPolarHBondContact O-CB 3.39Å; G14-F18 PolarHBondContact O-N 3.49Å |
| 15 | F | 92.7 | Very high | 89.3 | Confident | 161 Ų | 161 | 95.9 Ų | 95.9 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 176.3 | -174.9 | -97.5 | 0 | 0 | 0 | 112 | G11 S12 F18 G19 | G11-F15 WeakPolarHBondContact O-CB 3.48Å; G11-F15 PolarHBondContact O-N 2.86Å; S12-F15 PolarHBondContact O-N 3.07Å; F15-F18 PolarHBondContact O-N 3.11Å; F15-G19 PolarHBondContact O-N 2.94Å |
| 16 | L | 93.9 | Very high | 90 | Very high | 101 Ų | 101 | 92.5 Ų | 92.5 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 175.9 | -177.2 | 64.4 | 0 | 0 | 0 | 111.6 | S12 L13 G19 I20 | S12-L16 WeakPolarHBondContact O-CB 3.34Å; S12-L16 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 2.76Å; L16-G19 PolarHBondContact O-N 2.81Å; L16-I20 HydrophobicContact CD1-CD1 4.3Å; L16-I20 HydrophobicContact CG-CD1 4.09Å; L16-I20 VanDerWaalsContact O-CG1 3.29Å; L16-I20 WeakPolarHBondContact O-CG1 3.36Å; L16-I20 PolarHBondContact O-N 3.38Å |
| 17 | L | 94 | Very high | 90.6 | Very high | 109 Ų | 109 | 95.4 Ų | 95.4 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 178 | -70.4 | 174.7 | 0 | 0 | 0 | 112 | L13 G14 G19 I20 F21 | L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 2.72Å; G14-L17 PolarHBondContact O-N 3Å; L17-G19 VanDerWaalsContact C-N 3.35Å; L17-I20 PolarHBondContact O-N 3.06Å; L17-F21 WeakPolarHBondContact O-CB 3.47Å; L17-F21 PolarHBondContact O-N 2.84Å |
| 18 | F | 94.1 | Very high | 91.1 | Very high | 134 Ų | 134 | 93.3 Ų | 93.3 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 176.1 | -174.9 | -101.4 | 0 | 0 | 0 | 111.7 | G14 F15 F21 F22 | G14-F18 VanDerWaalsContact O-CB 3.28Å; G14-F18 WeakPolarHBondContact O-CB 3.39Å; G14-F18 PolarHBondContact O-N 3.49Å; F15-F18 PolarHBondContact O-N 3.11Å; F18-F21 PolarHBondContact O-N 3.21Å; F18-F22 WeakPolarHBondContact O-CB 3.1Å; F18-F22 PolarHBondContact O-N 3.26Å |
| 19 | G | 94.4 | Very high | 91.5 | Very high | 29 Ų | 29 | 93.1 Ų | 93.1 | 30% | 0.299 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | F15 L16 L17 F21 F22 V23 | F15-G19 PolarHBondContact O-N 2.94Å; L16-G19 PolarHBondContact O-N 2.81Å; L17-G19 VanDerWaalsContact C-N 3.35Å; G19-F21 VanDerWaalsContact C-N 3.35Å; G19-F21 PolarHBondContact O-N 3.35Å; G19-F22 PolarHBondContact O-N 3.38Å; G19-V23 WeakPolarHBondContact O-CG2 3.27Å; G19-V23 PolarHBondContact O-N 2.75Å |
| 20 | I | 94.5 | Very high | 92 | Very high | 87 Ų | 87 | 91.7 Ų | 91.7 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -46 | 177.4 | -66.5 | 163.6 | 0 | 0 | 0 | 110.7 | L16 L17 F22 V23 I24 | L16-I20 HydrophobicContact CD1-CD1 4.3Å; L16-I20 HydrophobicContact CG-CD1 4.09Å; L16-I20 VanDerWaalsContact O-CG1 3.29Å; L16-I20 WeakPolarHBondContact O-CG1 3.36Å; L16-I20 PolarHBondContact O-N 3.38Å; L17-I20 PolarHBondContact O-N 3.06Å; I20-F22 VanDerWaalsContact C-N 3.32Å; I20-F22 PolarHBondContact O-N 2.9Å; I20-V23 PolarHBondContact O-N 3.37Å; I20-I24 HydrophobicContact CG2-CD1 3.82Å; I20-I24 HydrophobicContact CG2-CG1 4.49Å; I20-I24 WeakPolarHBondContact O-CG1 3.29Å; I20-I24 PolarHBondContact O-N 3.35Å |
| 21 | F | 94.5 | Very high | 92.2 | Very high | 130 Ų | 130 | 92.5 Ų | 92.5 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.9 | -44.3 | 176.7 | 178.9 | -98 | 0 | 0 | 0 | 111.8 | L17 F18 G19 I24 F25 | L17-F21 WeakPolarHBondContact O-CB 3.47Å; L17-F21 PolarHBondContact O-N 2.84Å; F18-F21 PolarHBondContact O-N 3.21Å; G19-F21 VanDerWaalsContact C-N 3.35Å; G19-F21 PolarHBondContact O-N 3.35Å; F21-I24 PolarHBondContact O-N 3.4Å; F21-F25 VanDerWaalsContact O-CB 3.32Å; F21-F25 WeakPolarHBondContact O-CB 3.47Å; F21-F25 PolarHBondContact O-N 2.72Å |
| 22 | F | 94 | Very high | 92.2 | Very high | 124 Ų | 124 | 98.9 Ų | 98.9 | 54% | 0.544 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 178.9 | -168.4 | -95.5 | 0 | 0 | 0 | 112.1 | F18 G19 I20 F25 A26 | F18-F22 WeakPolarHBondContact O-CB 3.1Å; F18-F22 PolarHBondContact O-N 3.26Å; G19-F22 PolarHBondContact O-N 3.38Å; I20-F22 VanDerWaalsContact C-N 3.32Å; I20-F22 PolarHBondContact O-N 2.9Å; F22-F25 PolarHBondContact O-N 3.41Å; F22-A26 VanDerWaalsContact O-CB 3.25Å; F22-A26 WeakPolarHBondContact O-CB 3Å; F22-A26 PolarHBondContact O-N 3.45Å |
| 23 | V | 94 | Very high | 92 | Very high | 76 Ų | 76 | 100.2 Ų | 100.2 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 174.6 | 173 | 0 | 0 | 0 | 0 | 110.6 | G19 I20 F25 A26 F27 | G19-V23 WeakPolarHBondContact O-CG2 3.27Å; G19-V23 PolarHBondContact O-N 2.75Å; I20-V23 PolarHBondContact O-N 3.37Å; V23-F25 VanDerWaalsContact C-N 3.32Å; V23-F25 PolarHBondContact O-N 3.49Å; V23-A26 PolarHBondContact O-N 3.46Å; V23-F27 HydrophobicContact CG1-CD2 3.52Å; V23-F27 HydrophobicContact CG1-CE2 3.64Å; V23-F27 WeakPolarHBondContact O-CB 3.48Å; V23-F27 WeakPolarHBondContact O-CD2 3.41Å; V23-F27 PolarHBondContact O-N 3.09Å |
| 24 | I | 93.9 | Very high | 91.7 | Very high | 102 Ų | 102 | 100.3 Ų | 100.3 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 178.4 | -66 | 167.8 | 0 | 0 | 0 | 111 | I20 F21 S28 | I20-I24 HydrophobicContact CG2-CD1 3.82Å; I20-I24 HydrophobicContact CG2-CG1 4.49Å; I20-I24 WeakPolarHBondContact O-CG1 3.29Å; I20-I24 PolarHBondContact O-N 3.35Å; F21-I24 PolarHBondContact O-N 3.4Å; I24-S28 VanDerWaalsContact O-CB 3.26Å; I24-S28 WeakPolarHBondContact O-CB 3.44Å; I24-S28 PolarHBondContact O-N 3.41Å; I24-S28 PolarHBondContact O-OG 3.47Å |
| 25 | F | 93.7 | Very high | 91.4 | Very high | 102 Ų | 102 | 107.1 Ų | 107.1 | 45% | 0.447 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 177.8 | -179.2 | -101.4 | 0 | 0 | 0 | 111.9 | F21 F22 V23 S28 R29 | F21-F25 VanDerWaalsContact O-CB 3.32Å; F21-F25 WeakPolarHBondContact O-CB 3.47Å; F21-F25 PolarHBondContact O-N 2.72Å; F22-F25 PolarHBondContact O-N 3.41Å; V23-F25 VanDerWaalsContact C-N 3.32Å; V23-F25 PolarHBondContact O-N 3.49Å; F25-S28 PolarHBondContact O-N 3.43Å; F25-R29 WeakPolarHBondContact O-CB 3.41Å; F25-R29 PolarHBondContact O-N 3.49Å |
| 26 | A | 92 | Very high | 90.9 | Very high | 41 Ų | 41 | 106.6 Ų | 106.6 | 34% | 0.339 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | F22 V23 S28 R29 L30 | F22-A26 VanDerWaalsContact O-CB 3.25Å; F22-A26 WeakPolarHBondContact O-CB 3Å; F22-A26 PolarHBondContact O-N 3.45Å; V23-A26 PolarHBondContact O-N 3.46Å; A26-S28 VanDerWaalsContact C-N 3.35Å; A26-S28 PolarHBondContact O-N 3.32Å; A26-R29 PolarHBondContact O-N 3.3Å; A26-L30 WeakPolarHBondContact O-CB 2.96Å; A26-L30 PolarHBondContact O-N 2.86Å |
| 27 | F | 92.3 | Very high | 90.3 | Very high | 142 Ų | 142 | 104.2 Ų | 104.2 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 174.7 | -91 | -75 | 0 | 0 | 0 | 112.1 | V23 R29 L30 A31 | V23-F27 HydrophobicContact CG1-CD2 3.52Å; V23-F27 HydrophobicContact CG1-CE2 3.64Å; V23-F27 WeakPolarHBondContact O-CB 3.48Å; V23-F27 WeakPolarHBondContact O-CD2 3.41Å; V23-F27 PolarHBondContact O-N 3.09Å; F27-R29 PolarHBondContact O-N 2.84Å; F27-L30 PolarHBondContact O-N 2.91Å; F27-A31 WeakPolarHBondContact O-CB 3.24Å; F27-A31 PolarHBondContact O-N 3.26Å |
| 28 | S | 90.2 | Very high | 89.4 | Confident | 57 Ų | 57 | 102.2 Ų | 102.2 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 176.7 | -63.7 | 0 | 0 | 0 | 0 | 112 | I24 F25 A26 R32 | I24-S28 VanDerWaalsContact O-CB 3.26Å; I24-S28 WeakPolarHBondContact O-CB 3.44Å; I24-S28 PolarHBondContact O-N 3.41Å; I24-S28 PolarHBondContact O-OG 3.47Å; F25-S28 PolarHBondContact O-N 3.43Å; A26-S28 VanDerWaalsContact C-N 3.35Å; A26-S28 PolarHBondContact O-N 3.32Å; S28-R32 WeakPolarHBondContact O-CB 3.5Å; S28-R32 WeakPolarHBondContact O-CG 3.15Å; S28-R32 PolarHBondContact O-N 2.71Å; S28-R32 VanDerWaalsContact O-N 3.09Å |
| 29 | R | 90.2 | Very high | 88.6 | Confident | 157 Ų | 157 | 99.3 Ų | 99.3 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.6 | -42.5 | 177.5 | -169.7 | 171.6 | -178.1 | 153.9 | -1.4 | 111.6 | F25 A26 F27 R32 N33 | F25-R29 WeakPolarHBondContact O-CB 3.41Å; F25-R29 PolarHBondContact O-N 3.49Å; A26-R29 PolarHBondContact O-N 3.3Å; F27-R29 PolarHBondContact O-N 2.84Å; R29-R32 PolarHBondContact O-N 3.35Å; R29-N33 WeakPolarHBondContact O-CB 3.49Å; R29-N33 VanDerWaalsContact O-CG 3.26Å; R29-N33 PolarHBondContact O-N 3.49Å; R29-N33 PolarHBondContact O-ND2 3.23Å |
| 30 | L | 90.1 | Very high | 87.8 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -48.1 | 177.3 | -177.1 | 61 | 0 | 0 | 0 | 111 | A26 F27 R32 N33 L34 | A26-L30 WeakPolarHBondContact O-CB 2.96Å; A26-L30 PolarHBondContact O-N 2.86Å; F27-L30 PolarHBondContact O-N 2.91Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 2.97Å; L30-N33 CarbonylContact O-C 3.59Å; L30-N33 PolarHBondContact O-N 3.37Å; L30-N33 VanDerWaalsContact O-N 3.08Å; L30-L34 HydrophobicContact CD1-CD1 4.18Å; L30-L34 HydrophobicContact CD1-CG 4.08Å; L30-L34 HydrophobicContact CD2-CD1 4.49Å; L30-L34 HydrophobicContact CG-CD1 3.87Å; L30-L34 HydrophobicContact CG-CG 4.21Å; L30-L34 WeakPolarHBondContact O-CB 3.45Å; L30-L34 VanDerWaalsContact O-CG 3.32Å; L30-L34 WeakPolarHBondContact O-CG 3.39Å; L30-L34 PolarHBondContact O-N 3.32Å |
| 31 | A | 88.2 | Confident | 86.7 | Confident | 58 Ų | 58 | 105 Ų | 105 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F27 R35 | F27-A31 WeakPolarHBondContact O-CB 3.24Å; F27-A31 PolarHBondContact O-N 3.26Å; A31-R35 WeakPolarHBondContact O-CB 3.45Å; A31-R35 PolarHBondContact O-N 2.82Å |
| 32 | R | 87.3 | Confident | 85.3 | Confident | 181 Ų | 181 | 105 Ų | 105 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 173.2 | -75.7 | 175.6 | -175.1 | -152.7 | 2.9 | 112.1 | S28 R29 L30 K36 | S28-R32 WeakPolarHBondContact O-CB 3.5Å; S28-R32 WeakPolarHBondContact O-CG 3.15Å; S28-R32 PolarHBondContact O-N 2.71Å; S28-R32 VanDerWaalsContact O-N 3.09Å; R29-R32 PolarHBondContact O-N 3.35Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 2.97Å; R32-K36 VanDerWaalsContact O-CG 3.32Å; R32-K36 WeakPolarHBondContact O-CG 3.32Å; R32-K36 PolarHBondContact O-N 3.48Å |
| 33 | N | 86.8 | Confident | 83.8 | Confident | 83 Ų | 83 | 106.5 Ų | 106.5 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 178.5 | -72.3 | -14.6 | 0 | 0 | 0 | 111.9 | R29 L30 K36 A37 | R29-N33 WeakPolarHBondContact O-CB 3.49Å; R29-N33 VanDerWaalsContact O-CG 3.26Å; R29-N33 PolarHBondContact O-N 3.49Å; R29-N33 PolarHBondContact O-ND2 3.23Å; L30-N33 CarbonylContact O-C 3.59Å; L30-N33 PolarHBondContact O-N 3.37Å; L30-N33 VanDerWaalsContact O-N 3.08Å; N33-K36 PolarHBondContact O-N 3.1Å; N33-A37 WeakPolarHBondContact O-CB 3.42Å; N33-A37 PolarHBondContact O-N 3.32Å |
| 34 | L | 83.8 | Confident | 82.2 | Confident | 104 Ų | 104 | 108 Ų | 108 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.8 | -70.9 | 175.7 | 0 | 0 | 0 | 111.2 | L30 K36 A37 S38 | L30-L34 HydrophobicContact CD1-CD1 4.18Å; L30-L34 HydrophobicContact CD1-CG 4.08Å; L30-L34 HydrophobicContact CD2-CD1 4.49Å; L30-L34 HydrophobicContact CG-CD1 3.87Å; L30-L34 HydrophobicContact CG-CG 4.21Å; L30-L34 WeakPolarHBondContact O-CB 3.45Å; L30-L34 VanDerWaalsContact O-CG 3.32Å; L30-L34 WeakPolarHBondContact O-CG 3.39Å; L30-L34 PolarHBondContact O-N 3.32Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3.18Å; L34-A37 PolarHBondContact O-N 3.01Å; L34-S38 WeakPolarHBondContact O-CB 3.21Å; L34-S38 PolarHBondContact O-N 2.92Å |
| 35 | R | 84 | Confident | 80.5 | Confident | 182 Ų | 182 | 108.1 Ų | 108.1 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 174.6 | -170.1 | 173.2 | -174.5 | 171.9 | 1.1 | 111.9 | A31 N39 | A31-R35 WeakPolarHBondContact O-CB 3.45Å; A31-R35 PolarHBondContact O-N 2.82Å; R35-N39 VanDerWaalsContact O-CB 3.22Å; R35-N39 WeakPolarHBondContact O-CB 3.16Å; R35-N39 PolarHBondContact O-N 3.49Å; R35-N39 PolarHBondContact O-OD1 3.31Å |
| 36 | K | 83.2 | Confident | 78.7 | Confident | 150 Ų | 150 | 108.2 Ų | 108.2 | 65% | 0.652 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -43.8 | 174.1 | -74 | 176 | 179.8 | -174.3 | 0 | 111.9 | R32 N33 L34 K40 | R32-K36 VanDerWaalsContact O-CG 3.32Å; R32-K36 WeakPolarHBondContact O-CG 3.32Å; R32-K36 PolarHBondContact O-N 3.48Å; N33-K36 PolarHBondContact O-N 3.1Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3.18Å; K36-K40 WeakPolarHBondContact O-CB 3.22Å; K36-K40 PolarHBondContact O-N 2.75Å |
| 37 | A | 80.1 | Confident | 77 | Confident | 50 Ų | 50 | 110 Ų | 110 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N33 L34 K40 L41 | N33-A37 WeakPolarHBondContact O-CB 3.42Å; N33-A37 PolarHBondContact O-N 3.32Å; L34-A37 PolarHBondContact O-N 3.01Å; A37-K40 WeakPolarHBondContact O-CB 3.35Å; A37-K40 PolarHBondContact O-N 2.85Å; A37-L41 WeakPolarHBondContact O-CG 3.48Å; A37-L41 PolarHBondContact O-N 2.9Å |
| 38 | S | 75.8 | Confident | 74.7 | Confident | 68 Ų | 68 | 106.1 Ų | 106.1 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 176 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | L34 K40 L41 F42 | L34-S38 WeakPolarHBondContact O-CB 3.21Å; L34-S38 PolarHBondContact O-N 2.92Å; S38-K40 VanDerWaalsContact C-N 3.33Å; S38-K40 PolarHBondContact O-N 3.24Å; S38-L41 PolarHBondContact O-N 3.5Å; S38-F42 WeakPolarHBondContact O-CB 3.13Å; S38-F42 PolarHBondContact O-N 3.43Å |
| 39 | N | 78 | Confident | 72.9 | Confident | 73 Ų | 73 | 108.8 Ų | 108.8 | 39% | 0.39 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62 | -42.3 | 173.8 | -72.7 | 4.6 | 0 | 0 | 0 | 110.9 | R35 L41 F42 Y43 | R35-N39 VanDerWaalsContact O-CB 3.22Å; R35-N39 WeakPolarHBondContact O-CB 3.16Å; R35-N39 PolarHBondContact O-N 3.49Å; R35-N39 PolarHBondContact O-OD1 3.31Å; N39-L41 PolarHBondContact O-N 3.48Å; N39-F42 PolarHBondContact O-N 3.25Å; N39-Y43 HydrophobicContact CB-CD2 4.34Å; N39-Y43 HydrophobicContact CB-CE2 4.25Å; N39-Y43 WeakPolarHBondContact O-CD2 3.21Å; N39-Y43 PolarHBondContact O-N 3.09Å |
| 40 | K | 76.6 | Confident | 71 | Confident | 122 Ų | 122 | 104.9 Ų | 104.9 | 53% | 0.53 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.3 | -46.6 | 176.2 | -172.8 | 177.3 | 178.5 | -70.4 | 0 | 111.3 | K36 A37 S38 Y43 E44 | K36-K40 WeakPolarHBondContact O-CB 3.22Å; K36-K40 PolarHBondContact O-N 2.75Å; A37-K40 WeakPolarHBondContact O-CB 3.35Å; A37-K40 PolarHBondContact O-N 2.85Å; S38-K40 VanDerWaalsContact C-N 3.33Å; S38-K40 PolarHBondContact O-N 3.24Å; K40-Y43 PolarHBondContact O-N 3.35Å; K40-E44 IonicContact NZ-OE2 2.71Å; K40-E44 PolarHBondContact NZ-OE2 2.76Å; K40-E44 WeakPolarHBondContact O-CB 3.33Å; K40-E44 PolarHBondContact O-N 2.85Å |
| 41 | L | 71.5 | Confident | 68.9 | Low | 113 Ų | 113 | 110 Ų | 110 | 59% | 0.592 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.1 | -46.2 | 176.5 | -72.7 | 170.5 | 0 | 0 | 0 | 111.4 | A37 S38 N39 Y43 E44 T45 | A37-L41 WeakPolarHBondContact O-CG 3.48Å; A37-L41 PolarHBondContact O-N 2.9Å; S38-L41 PolarHBondContact O-N 3.5Å; N39-L41 PolarHBondContact O-N 3.48Å; L41-Y43 PolarHBondContact O-N 3.42Å; L41-E44 PolarHBondContact O-N 2.77Å; L41-T45 WeakPolarHBondContact O-CB 3.45Å; L41-T45 PolarHBondContact O-N 3.08Å; L41-T45 PolarHBondContact O-OG1 2.97Å |
| 42 | F | 66.7 | Low | 66.8 | Low | 130 Ų | 130 | 117.5 Ų | 117.5 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.5 | -42.7 | 179.1 | -172.7 | -96.7 | 0 | 0 | 0 | 112 | S38 N39 N46 | S38-F42 WeakPolarHBondContact O-CB 3.13Å; S38-F42 PolarHBondContact O-N 3.43Å; N39-F42 PolarHBondContact O-N 3.25Å; F42-N46 WeakPolarHBondContact CD1-ND2 3.42Å; F42-N46 VanDerWaalsContact CE1-ND2 3.29Å; F42-N46 WeakPolarHBondContact CE1-ND2 3.32Å; F42-N46 WeakPolarHBondContact CE2-ND2 3.49Å; F42-N46 VanDerWaalsContact CZ-ND2 3.27Å; F42-N46 WeakPolarHBondContact CZ-ND2 3.35Å; F42-N46 WeakPolarHBondContact O-CB 3.26Å; F42-N46 PolarHBondContact O-N 2.78Å; F42-N46 PolarHBondContact O-ND2 3.01Å |
| 43 | Y | 62.1 | Low | 64.8 | Low | 155 Ų | 155 | 116.8 Ų | 116.8 | 61% | 0.608 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.6 | -34.4 | 176.4 | -70.8 | -65.7 | 0 | 0 | 0 | 112.5 | N39 K40 L41 N46 A47 | N39-Y43 HydrophobicContact CB-CD2 4.34Å; N39-Y43 HydrophobicContact CB-CE2 4.25Å; N39-Y43 WeakPolarHBondContact O-CD2 3.21Å; N39-Y43 PolarHBondContact O-N 3.09Å; K40-Y43 PolarHBondContact O-N 3.35Å; L41-Y43 PolarHBondContact O-N 3.42Å; Y43-N46 PolarHBondContact O-N 3.49Å; Y43-A47 WeakPolarHBondContact O-CA 3.22Å; Y43-A47 WeakPolarHBondContact O-CB 3.25Å; Y43-A47 PolarHBondContact O-N 3.16Å |
| 44 | E | 59 | Low | 63.1 | Low | 108 Ų | 108 | 117.4 Ų | 117.4 | 51% | 0.505 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.9 | -37.9 | 176.9 | -166 | 167.2 | 174.8 | 0 | 0 | 111.4 | K40 L41 S48 | K40-E44 IonicContact NZ-OE2 2.71Å; K40-E44 PolarHBondContact NZ-OE2 2.76Å; K40-E44 WeakPolarHBondContact O-CB 3.33Å; K40-E44 PolarHBondContact O-N 2.85Å; L41-E44 PolarHBondContact O-N 2.77Å; E44-S48 WeakPolarHBondContact O-CB 3.38Å; E44-S48 PolarHBondContact O-N 3.37Å |
| 45 | T | 59 | Low | 61.4 | Low | 105 Ų | 105 | 120.7 Ų | 120.7 | 64% | 0.644 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.4 | -35.8 | 172.7 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | L41 | L41-T45 WeakPolarHBondContact O-CB 3.45Å; L41-T45 PolarHBondContact O-N 3.08Å; L41-T45 PolarHBondContact O-OG1 2.97Å |
| 46 | N | 55.9 | Low | 59.8 | Low | 103 Ų | 103 | 119.6 Ų | 119.6 | 55% | 0.551 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -90.4 | -20.9 | -179.5 | -72.6 | -64.4 | 0 | 0 | 0 | 114.6 | F42 Y43 | F42-N46 WeakPolarHBondContact CD1-ND2 3.42Å; F42-N46 VanDerWaalsContact CE1-ND2 3.29Å; F42-N46 WeakPolarHBondContact CE1-ND2 3.32Å; F42-N46 WeakPolarHBondContact CE2-ND2 3.49Å; F42-N46 VanDerWaalsContact CZ-ND2 3.27Å; F42-N46 WeakPolarHBondContact CZ-ND2 3.35Å; F42-N46 WeakPolarHBondContact O-CB 3.26Å; F42-N46 PolarHBondContact O-N 2.78Å; F42-N46 PolarHBondContact O-ND2 3.01Å; Y43-N46 PolarHBondContact O-N 3.49Å |
| 47 | A | 57.3 | Low | 58 | Low | 79 Ų | 79 | 119.6 Ų | 119.6 | 65% | 0.653 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -97.6 | -2.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y43 P49 | Y43-A47 WeakPolarHBondContact O-CA 3.22Å; Y43-A47 WeakPolarHBondContact O-CB 3.25Å; Y43-A47 PolarHBondContact O-N 3.16Å; A47-P49 WeakPolarHBondContact O-CD 3.29Å |
| 48 | S | 43.5 | Very low | 56.4 | Low | 61 Ų | 61 | 124.9 Ų | 124.9 | 43% | 0.427 | 65% | 0.65 | S | S | . | * | trans | -83.7 | 105.6 | 162.2 | -172.4 | 0 | 0 | 0 | 0 | 109 | E44 A50 | E44-S48 WeakPolarHBondContact O-CB 3.38Å; E44-S48 PolarHBondContact O-N 3.37Å; S48-A50 PolarHBondContact O-N 3.35Å | ||
| 49 | P | 51.1 | Low | 54.7 | Low | 113 Ų | 113 | 129.6 Ų | 129.6 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 7.7 | 175.6 | 29.1 | -34.5 | 0 | 0 | 0 | 113.6 | A47 | A47-P49 WeakPolarHBondContact O-CD 3.29Š|
| 50 | A | 50.3 | Low | 53.3 | Low | 75 Ų | 75 | 132.3 Ų | 132.3 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -6.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | S48 | S48-A50 PolarHBondContact O-N 3.35Š|
| 51 | F | 46.6 | Very low | 51.6 | Low | 197 Ų | 197 | 134.5 Ų | 134.5 | 86% | 0.864 | 70% | 0.696 | S | S | * | * | trans | -136.2 | 55 | 171.4 | -90.7 | -86.2 | 0 | 0 | 0 | 111.2 | Q53 | F51-Q53 VanDerWaalsContact C-N 3.29Å; F51-Q53 PolarHBondContact O-N 3.19Å; F51-Q53 VanDerWaalsContact O-N 3.09Å | ||
| 52 | R | 44.8 | Very low | 50.4 | Low | 216 Ų | 216 | 134.2 Ų | 134.2 | 82% | 0.815 | 70% | 0.699 | S | S | * | * | trans | -71.9 | 90.6 | 155.6 | -72.4 | -160.7 | 177.4 | -140.8 | 1.6 | 108.4 | ||||
| 53 | Q | 45.4 | Very low | 48.9 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -127.8 | 108.4 | 146.3 | -72.6 | -164.7 | -1.3 | 0 | 0 | 108 | F51 I55 | F51-Q53 VanDerWaalsContact C-N 3.29Å; F51-Q53 PolarHBondContact O-N 3.19Å; F51-Q53 VanDerWaalsContact O-N 3.09Å; Q53-I55 PolarHBondContact O-N 2.89Å | ||
| 54 | P | 49.8 | Very low | 48.2 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 62% | 0.623 | 72% | 0.72 | S | S | * | * | trans | -57.4 | 123.5 | 156.1 | 25.4 | -29.5 | 0 | 0 | 0 | 106.3 | Q56 | P54-Q56 HydrophobicContact CB-CB 4.39Å; P54-Q56 HydrophobicContact CB-CG 4.21Å; P54-Q56 PolarHBondContact O-N 3.39Å | ||
| 55 | I | 49.2 | Very low | 47.4 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 76.5 | 167.5 | -57 | 169.9 | 0 | 0 | 0 | 106.4 | Q53 | Q53-I55 PolarHBondContact O-N 2.89Š|
| 56 | Q | 49.8 | Very low | 46.8 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | -11.8 | 179.1 | -79.9 | -171.6 | -10.3 | 0 | 0 | 113.3 | P54 | P54-Q56 HydrophobicContact CB-CB 4.39Å; P54-Q56 HydrophobicContact CB-CG 4.21Å; P54-Q56 PolarHBondContact O-N 3.39Å |
| 57 | N | 45.2 | Very low | 46.3 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -133.5 | 46.9 | -176.3 | -60.1 | -15.4 | 0 | 0 | 0 | 113.2 | E59 | N57-E59 PolarHBondContact O-N 3.28Š| ||
| 58 | L | 46.9 | Very low | 45.6 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | -77 | 67.3 | 159.5 | -164.3 | 72 | 0 | 0 | 0 | 107.9 | L60 | L58-L60 PolarHBondContact O-N 2.84Š| ||
| 59 | E | 39.6 | Very low | 45.9 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -75.3 | 112.2 | 167.5 | -162.4 | 171.4 | -175.4 | 0 | 0 | 106.3 | N57 N61 | N57-E59 PolarHBondContact O-N 3.28Å; E59-N61 PolarHBondContact O-N 2.77Å; E59-N61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | L | 48.8 | Very low | 46 | Very low | 131 Ų | 131 | 149.5 Ų | 149.5 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | trans | -60.5 | 112.7 | 170.7 | -90.9 | 118.1 | 0 | 0 | 0 | 107.8 | L58 T62 | L58-L60 PolarHBondContact O-N 2.84Å; L60-T62 HydrophobicContact CB-CG2 4.33Å; L60-T62 HydrophobicContact CD2-CG2 4.06Å; L60-T62 PolarHBondContact O-N 2.88Å | ||
| 61 | N | 40.9 | Very low | 46.7 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -67 | 75.4 | 158.6 | -77.2 | -19.6 | 0 | 0 | 0 | 108.4 | E59 | E59-N61 PolarHBondContact O-N 2.77Å; E59-N61 VanDerWaalsContact O-N 3.13Å | ||
| 62 | T | 46.2 | Very low | 47.5 | Very low | 107 Ų | 107 | 148 Ų | 148 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | trans | -93.2 | 98.9 | 160.1 | 44.4 | 0 | 0 | 0 | 0 | 107.4 | L60 S64 | L60-T62 HydrophobicContact CB-CG2 4.33Å; L60-T62 HydrophobicContact CD2-CG2 4.06Å; L60-T62 PolarHBondContact O-N 2.88Å; T62-S64 PolarHBondContact O-N 3.45Å | ||
| 63 | S | 35.9 | Very low | 48.2 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | -50.1 | 114.1 | 164.4 | 163.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 64 | S | 47.2 | Very low | 48.9 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -157.6 | 128.6 | 147.7 | 55.3 | 0 | 0 | 0 | 0 | 108.6 | T62 | T62-S64 PolarHBondContact O-N 3.45Š| ||
| 65 | D | 41.8 | Very low | 49.3 | Very low | 153 Ų | 153 | 149.7 Ų | 149.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -26.4 | 134 | 164.5 | -78.5 | -56.2 | 0 | 0 | 0 | 113.6 | ||||
| 66 | I | 47.6 | Very low | 50 | Low | 170 Ų | 170 | 149.2 Ų | 149.2 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | 175.8 | 125.6 | 126.1 | -82.7 | 148.3 | 0 | 0 | 0 | 107.5 | |||||
| 67 | Q | 44.1 | Very low | 50.6 | Low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -57 | 158.2 | -179.2 | -108.7 | -165.4 | -10.4 | 0 | 0 | 114.4 | ||||
| 68 | P | 43.2 | Very low | 50.7 | Low | 101 Ų | 101 | 147.8 Ų | 147.8 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | trans | -90.7 | 158.1 | -161.1 | 38.4 | -35 | 0 | 0 | 0 | 112.6 | ||||
| 69 | N | 48.8 | Very low | 50.7 | Low | 163 Ų | 163 | 144.1 Ų | 144.1 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | 174.5 | 76.3 | 145.6 | -86 | -31.6 | 0 | 0 | 0 | 110.9 | ||||
| 70 | E | 54.2 | Low | 51.1 | Low | 173 Ų | 173 | 138.4 Ų | 138.4 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -168 | 136.1 | 150.7 | -113.4 | -170.6 | 167.3 | 0 | 0 | 110.4 | ||||
| 71 | P | 64.4 | Low | 50.9 | Low | 113 Ų | 113 | 137.3 Ų | 137.3 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 135.6 | 173.8 | 27.4 | -30.8 | 0 | 0 | 0 | 109.9 | K73 | P71-K73 PolarHBondContact O-N 3.48Å; P71-K73 VanDerWaalsContact O-N 3.1Å |
| 72 | P | 63.2 | Low | 51.3 | Low | 128 Ų | 128 | 139.7 Ų | 139.7 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 117.1 | -175 | 23.1 | -31.3 | 0 | 0 | 0 | 110.9 | K74 | P72-K74 PolarHBondContact O-N 3.38Š|
| 73 | K | 61 | Low | 51.7 | Low | 185 Ų | 185 | 142.5 Ų | 142.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 129 | 165.1 | -87.2 | 172.5 | 178.4 | 160.9 | 0 | 108.6 | P71 V75 | P71-K73 PolarHBondContact O-N 3.48Å; P71-K73 VanDerWaalsContact O-N 3.1Å; K73-V75 PolarHBondContact O-N 3.26Å |
| 74 | K | 60 | Low | 52 | Low | 205 Ų | 205 | 141.5 Ų | 141.5 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -58.7 | 98.2 | 173.8 | -62.6 | -175.1 | -178.1 | -172.5 | 0 | 109.3 | P72 L76 | P72-K74 PolarHBondContact O-N 3.38Å; K74-L76 PolarHBondContact O-N 3.41Å | ||
| 75 | V | 57.9 | Low | 52.2 | Low | 123 Ų | 123 | 146.1 Ų | 146.1 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 101.5 | 165.8 | 179.5 | 0 | 0 | 0 | 0 | 106.2 | K73 L77 | K73-V75 PolarHBondContact O-N 3.26Å; V75-L77 PolarHBondContact O-N 2.92Å | ||
| 76 | L | 62.4 | Low | 52.3 | Low | 163 Ų | 163 | 147.2 Ų | 147.2 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -61 | 109.3 | 164.9 | -79.3 | 164 | 0 | 0 | 0 | 106.6 | K74 S78 | K74-L76 PolarHBondContact O-N 3.41Å; L76-S78 PolarHBondContact O-N 2.82Å | ||
| 77 | L | 63 | Low | 52.3 | Low | 166 Ų | 166 | 144.6 Ų | 144.6 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 95.7 | 166.9 | -69.3 | 171.2 | 0 | 0 | 0 | 106.6 | V75 G79 | V75-L77 PolarHBondContact O-N 2.92Å; L77-G79 VanDerWaalsContact C-N 3.26Å; L77-G79 PolarHBondContact O-N 3.02Å | ||
| 78 | S | 47.5 | Very low | 52.3 | Low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -57.5 | 94.4 | 169.3 | 172.2 | 0 | 0 | 0 | 0 | 107.4 | L76 G80 | L76-S78 PolarHBondContact O-N 2.82Å; S78-G80 PolarHBondContact O-N 3.17Å | ||
| 79 | G | 47.6 | Very low | 52.2 | Low | 84 Ų | 84 | 144.9 Ų | 144.9 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -63 | 70.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109 | L77 S81 | L77-G79 VanDerWaalsContact C-N 3.26Å; L77-G79 PolarHBondContact O-N 3.02Å; G79-S81 PolarHBondContact O-N 3.46Å | ||
| 80 | G | 47.5 | Very low | 51.9 | Low | 47 Ų | 47 | 145.9 Ų | 145.9 | 49% | 0.485 | 80% | 0.798 | S | S | . | * | trans | -89.4 | 92.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | S78 R82 | S78-G80 PolarHBondContact O-N 3.17Å; G80-R82 PolarHBondContact O-N 3.23Å | ||
| 81 | S | 43.7 | Very low | 51.1 | Low | 107 Ų | 107 | 142.6 Ų | 142.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -48 | 101 | 161.5 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | G79 L83 | G79-S81 PolarHBondContact O-N 3.46Å; S81-L83 PolarHBondContact O-N 3.42Å | ||
| 82 | R | 50.8 | Low | 50 | Low | 219 Ų | 219 | 145.4 Ų | 145.4 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -93.2 | 75.6 | 172.5 | -75.8 | -173.7 | 163.2 | -145.1 | -2.3 | 109.1 | G80 T84 | G80-R82 PolarHBondContact O-N 3.23Å; R82-T84 PolarHBondContact O-N 2.97Å | ||
| 83 | L | 53.4 | Low | 48.9 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -67.7 | 85.1 | 149.8 | -71 | 172.6 | 0 | 0 | 0 | 106.7 | S81 | S81-L83 PolarHBondContact O-N 3.42Š| ||
| 84 | T | 43.2 | Very low | 47.8 | Very low | 105 Ų | 105 | 150 Ų | 150 | 64% | 0.644 | 81% | 0.808 | S | S | * | * | trans | -85.1 | 114.6 | 171.7 | 24.4 | 0 | 0 | 0 | 0 | 107.6 | R82 I86 | R82-T84 PolarHBondContact O-N 2.97Å; T84-I86 PolarHBondContact O-N 3.2Å | ||
| 85 | K | 51.6 | Low | 46.7 | Very low | 202 Ų | 202 | 146.5 Ų | 146.5 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | -51.6 | 122.8 | 166.2 | -81.5 | 177.6 | 172.6 | -179.6 | 0 | 108.2 | S87 | K85-S87 PolarHBondContact O-N 2.92Å; K85-S87 VanDerWaalsContact O-N 3.11Å | ||
| 86 | I | 44 | Very low | 46 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -63.3 | 108.6 | 163.6 | 42.9 | 171.2 | 0 | 0 | 0 | 108 | T84 | T84-I86 PolarHBondContact O-N 3.2Š| ||
| 87 | S | 46 | Very low | 45 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -98.8 | 132.1 | 165.2 | -179.3 | 0 | 0 | 0 | 0 | 107.1 | K85 | K85-S87 PolarHBondContact O-N 2.92Å; K85-S87 VanDerWaalsContact O-N 3.11Å | ||
| 88 | S | 44.2 | Very low | 43.9 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -89 | 112.9 | -178.6 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 89 | E | 41.2 | Very low | 43.2 | Very low | 175 Ų | 175 | 144 Ų | 144 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -152.6 | 114.8 | 156.5 | -160.9 | 159.7 | -177.8 | 0 | 0 | 112.8 | ||||
| 90 | K | 42.1 | Very low | 42.8 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | 61.1 | 115.3 | 141.8 | -148.2 | 170.5 | -176.9 | -172.4 | 0 | 120.2 | ||||
| 91 | S | 38.5 | Very low | 42.2 | Very low | 105 Ų | 105 | 149.9 Ų | 149.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -56 | 137 | 169.5 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 92 | I | 41.6 | Very low | 42.1 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -130.7 | 132.1 | 145.7 | -59.8 | 179.2 | 0 | 0 | 0 | 107 | ||||
| 93 | Y | 39 | Very low | 41.6 | Very low | 212 Ų | 212 | 147.9 Ų | 147.9 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -87.4 | 126 | -173.7 | -139.9 | -96.2 | 0 | 0 | 0 | 108.9 | ||||
| 94 | E | 37.7 | Very low | 40.9 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -147.5 | 122.6 | 162.8 | -133.7 | 172.8 | -170.1 | 0 | 0 | 108.4 | ||||
| 95 | N | 37.8 | Very low | 40.8 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -116.5 | 171 | -173.5 | -147 | 2.8 | 0 | 0 | 0 | 108.8 | ||||
| 96 | P | 44.2 | Very low | 40.3 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | -117.7 | 157.4 | -111.4 | 38 | -20.5 | 0 | 0 | 0 | 112.1 | |||||
| 97 | S | 40.4 | Very low | 40.3 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -165.5 | 135 | 156.4 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 98 | Q | 40.5 | Very low | 39.9 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | 88.6 | 114.4 | 149.5 | -67.9 | 171.5 | 7.3 | 0 | 0 | 119.7 | ||||
| 99 | N | 32.2 | Very low | 39.6 | Very low | 124 Ų | 124 | 145 Ų | 145 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | 75.2 | 106.7 | 124.2 | -176.9 | 14.1 | 0 | 0 | 0 | 117.7 | |||||
| 100 | T | 38.4 | Very low | 39.9 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | -178.4 | 120.7 | 111.7 | 17.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 101 | N | 35.9 | Very low | 39.8 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | 26.6 | 107 | 144.6 | -58.2 | -25.1 | 0 | 0 | 0 | 119.9 | ||||
| 102 | V | 41.8 | Very low | 40 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | -101.6 | 100.7 | 156.8 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 103 | I | 40 | Very low | 40.1 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | trans | -83.2 | 113.1 | 168.9 | -65.3 | 169.5 | 0 | 0 | 0 | 107 | ||||
| 104 | S | 38.3 | Very low | 40.6 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -106.6 | 96.9 | 171.4 | 170 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 105 | N | 41.3 | Very low | 41.1 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | trans | -98 | 71.3 | 174.1 | 60.3 | -15.7 | 0 | 0 | 0 | 110.7 | N107 | N105-N107 PolarHBondContact O-N 3.44Š| ||
| 106 | N | 42.1 | Very low | 41.4 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | trans | -87.6 | 102.4 | 165 | -77.3 | -12.4 | 0 | 0 | 0 | 108.9 | H108 | N106-H108 PolarHBondContact O-N 3.35Š| ||
| 107 | N | 43.7 | Very low | 41.5 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | -51.3 | 101.9 | 170.4 | -67.7 | -27.3 | 0 | 0 | 0 | 110.6 | N105 L109 | N105-N107 PolarHBondContact O-N 3.44Å; N107-L109 PolarHBondContact O-N 2.97Å | ||
| 108 | H | 36.7 | Very low | 41.9 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | 28.9 | 85.2 | 129.3 | -164.3 | -91.2 | 0 | 0 | 0 | 116.6 | N106 L110 | N106-H108 PolarHBondContact O-N 3.35Å; H108-L110 WeakPolarHBondContact CE1-CD1 3.24Å; H108-L110 WeakPolarHBondContact CE1-CG 3.34Å; H108-L110 WeakPolarHBondContact NE2-CD1 3.39Å; H108-L110 VanDerWaalsContact NE2-CG 3.26Å; H108-L110 WeakPolarHBondContact NE2-CG 3.32Å | |||
| 109 | L | 38.1 | Very low | 42.6 | Very low | 153 Ų | 153 | 129.6 Ų | 129.6 | 80% | 0.801 | 71% | 0.71 | S | S | * | * | trans | -106.3 | 89.1 | 150.2 | -164.6 | 74.7 | 0 | 0 | 0 | 107.2 | N107 I111 | N107-L109 PolarHBondContact O-N 2.97Å; L109-I111 HydrophobicContact CD2-CD1 4.49Å; L109-I111 HydrophobicContact CD2-CG1 4.29Å; L109-I111 HydrophobicContact CG-CG1 4.41Å; L109-I111 PolarHBondContact O-N 3.29Å | ||
| 110 | L | 46.8 | Very low | 43.6 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 68% | 0.681 | 70% | 0.697 | S | S | * | * | trans | -65.5 | 102.1 | 164.7 | -74.3 | 176.7 | 0 | 0 | 0 | 107.7 | H108 S112 | H108-L110 WeakPolarHBondContact CE1-CD1 3.24Å; H108-L110 WeakPolarHBondContact CE1-CG 3.34Å; H108-L110 WeakPolarHBondContact NE2-CD1 3.39Å; H108-L110 VanDerWaalsContact NE2-CG 3.26Å; H108-L110 WeakPolarHBondContact NE2-CG 3.32Å; L110-S112 PolarHBondContact O-N 2.88Å | ||
| 111 | I | 41.6 | Very low | 44.3 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 61% | 0.605 | 69% | 0.693 | S | S | * | * | trans | -79.6 | 103.7 | 160.6 | -63.1 | 171.1 | 0 | 0 | 0 | 105 | L109 | L109-I111 HydrophobicContact CD2-CD1 4.49Å; L109-I111 HydrophobicContact CD2-CG1 4.29Å; L109-I111 HydrophobicContact CG-CG1 4.41Å; L109-I111 PolarHBondContact O-N 3.29Å | ||
| 112 | S | 41.8 | Very low | 45.2 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | trans | -76.4 | 117.5 | 172 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | L110 N114 | L110-S112 PolarHBondContact O-N 2.88Å; S112-N114 PolarHBondContact O-N 2.96Å | ||
| 113 | D | 44.7 | Very low | 45.7 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 21.3 | -169.6 | -72.8 | -35 | 0 | 0 | 0 | 117.4 | ||
| 114 | N | 47.7 | Very low | 46.3 | Very low | 149 Ų | 149 | 122.5 Ų | 122.5 | 80% | 0.797 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 13.9 | -167.1 | -73.6 | -24.8 | 0 | 0 | 0 | 116.9 | S112 | S112-N114 PolarHBondContact O-N 2.96Š|
| 115 | F | 48.2 | Very low | 47 | Very low | 186 Ų | 186 | 127.2 Ų | 127.2 | 82% | 0.816 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -137.9 | 11.1 | -174.5 | -105.7 | -89 | 0 | 0 | 0 | 117.6 | G117 | F115-G117 PolarHBondContact O-N 3.39Š|
| 116 | E | 46 | Very low | 47.5 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 60% | 0.603 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -89.1 | 0.4 | -166 | -102.5 | -169.6 | 142 | 0 | 0 | 117.5 | I120 | E116-I120 HydrophobicContact CB-CD1 4.12Å; E116-I120 HydrophobicContact CG-CD1 3.94Å; E116-I120 WeakPolarHBondContact O-CD1 3.4Å; E116-I120 WeakPolarHBondContact O-CG1 3.42Å |
| 117 | G | 45.3 | Very low | 47.9 | Very low | 56 Ų | 56 | 128 Ų | 128 | 58% | 0.577 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.7 | -27.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | F115 K121 | F115-G117 PolarHBondContact O-N 3.39Å; G117-K121 WeakPolarHBondContact O-CE 3.39Å |
| 118 | E | 49.6 | Very low | 48.3 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -115.1 | -33.4 | -168.1 | -116.4 | 177.7 | 174.9 | 0 | 0 | 114.1 | I120 K121 N122 | E118-I120 PolarHBondContact O-N 3.42Å; E118-K121 PolarHBondContact O-N 3.37Å; E118-N122 PolarHBondContact O-N 2.89Å |
| 119 | S | 54.7 | Low | 49.1 | Very low | 74 Ų | 74 | 126.8 Ų | 126.8 | 52% | 0.517 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -66.6 | -36.7 | -179.7 | 59 | 0 | 0 | 0 | 0 | 112.2 | K121 N122 L123 | S119-K121 PolarHBondContact O-N 2.83Å; S119-N122 PolarHBondContact O-N 3.12Å; S119-L123 PolarHBondContact O-N 3.42Å; S119-L123 VanDerWaalsContact O-N 3.09Å |
| 120 | I | 52.9 | Low | 49.6 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 40% | 0.395 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.9 | -36.6 | 179.1 | -56.4 | 178.9 | 0 | 0 | 0 | 111.2 | E116 E118 N122 L123 V124 | E116-I120 HydrophobicContact CB-CD1 4.12Å; E116-I120 HydrophobicContact CG-CD1 3.94Å; E116-I120 WeakPolarHBondContact O-CD1 3.4Å; E116-I120 WeakPolarHBondContact O-CG1 3.42Å; E118-I120 PolarHBondContact O-N 3.42Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 3.05Å; I120-L123 PolarHBondContact O-N 2.77Å; I120-V124 HydrophobicContact CG2-CG2 4.2Å; I120-V124 WeakPolarHBondContact O-CB 3.34Å; I120-V124 VanDerWaalsContact O-CG2 3.24Å; I120-V124 WeakPolarHBondContact O-CG2 3.28Å; I120-V124 PolarHBondContact O-N 3.02Å |
| 121 | K | 52.5 | Low | 49.6 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 63% | 0.63 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.8 | -36.1 | 179.5 | -68.4 | 179.5 | -175.2 | 171.8 | 0 | 112 | G117 E118 S119 R125 | G117-K121 WeakPolarHBondContact O-CE 3.39Å; E118-K121 PolarHBondContact O-N 3.37Å; S119-K121 PolarHBondContact O-N 2.83Å; K121-R125 WeakPolarHBondContact O-CG 3.42Å; K121-R125 PolarHBondContact O-N 3.45Å |
| 122 | N | 56 | Low | 49.8 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 54% | 0.54 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -75.3 | -37.7 | 176.5 | -76.6 | -26.2 | 0 | 0 | 0 | 112.3 | E118 S119 I120 R125 Q126 | E118-N122 PolarHBondContact O-N 2.89Å; S119-N122 PolarHBondContact O-N 3.12Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 3.05Å; N122-R125 PolarHBondContact O-N 2.9Å; N122-Q126 WeakPolarHBondContact O-CG 3.43Å; N122-Q126 PolarHBondContact O-N 3.43Å |
| 123 | L | 52.1 | Low | 50.2 | Low | 110 Ų | 110 | 134.6 Ų | 134.6 | 58% | 0.576 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.6 | -41.3 | 175.4 | -171 | 62.4 | 0 | 0 | 0 | 112 | S119 I120 R125 Q126 H127 | S119-L123 PolarHBondContact O-N 3.42Å; S119-L123 VanDerWaalsContact O-N 3.09Å; I120-L123 PolarHBondContact O-N 2.77Å; L123-R125 PolarHBondContact O-N 3.4Å; L123-Q126 PolarHBondContact O-N 3.36Å; L123-H127 PolarHBondContact O-N 2.94Å; L123-H127 VanDerWaalsContact O-N 3.1Å |
| 124 | V | 53.2 | Low | 50.5 | Low | 80 Ų | 80 | 137.2 Ų | 137.2 | 49% | 0.485 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -67.1 | -35.1 | 176.5 | 173 | 0 | 0 | 0 | 0 | 112 | I120 K128 | I120-V124 HydrophobicContact CG2-CG2 4.2Å; I120-V124 WeakPolarHBondContact O-CB 3.34Å; I120-V124 VanDerWaalsContact O-CG2 3.24Å; I120-V124 WeakPolarHBondContact O-CG2 3.28Å; I120-V124 PolarHBondContact O-N 3.02Å; V124-K128 PolarHBondContact O-N 3.42Å |
| 125 | R | 51.2 | Low | 50.8 | Low | 195 Ų | 195 | 135.7 Ų | 135.7 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.3 | -40.7 | 174.5 | -84.8 | -177 | 174.9 | -165.5 | -0.5 | 112.4 | K121 N122 L123 K128 S129 | K121-R125 WeakPolarHBondContact O-CG 3.42Å; K121-R125 PolarHBondContact O-N 3.45Å; N122-R125 PolarHBondContact O-N 2.9Å; L123-R125 PolarHBondContact O-N 3.4Å; R125-K128 PolarHBondContact O-N 3.41Å; R125-S129 PolarHBondContact O-N 3.33Å |
| 126 | Q | 52.3 | Low | 51 | Low | 138 Ų | 138 | 132.8 Ų | 132.8 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69 | -33.8 | 179.1 | -72.2 | -168.3 | -9.7 | 0 | 0 | 112.6 | N122 L123 | N122-Q126 WeakPolarHBondContact O-CG 3.43Å; N122-Q126 PolarHBondContact O-N 3.43Å; L123-Q126 PolarHBondContact O-N 3.36Å |
| 127 | H | 51.8 | Low | 50.9 | Low | 150 Ų | 150 | 133.6 Ų | 133.6 | 69% | 0.694 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.7 | -24.9 | 177.7 | -116.3 | -81.7 | 0 | 0 | 0 | 114.2 | L123 | L123-H127 PolarHBondContact O-N 2.94Å; L123-H127 VanDerWaalsContact O-N 3.1Å |
| 128 | K | 50.8 | Low | 50.9 | Low | 180 Ų | 180 | 136.9 Ų | 136.9 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -81.9 | -17.5 | 176.1 | -89.8 | -177.6 | 174.9 | -176.3 | 0 | 114.4 | V124 R125 | V124-K128 PolarHBondContact O-N 3.42Å; R125-K128 PolarHBondContact O-N 3.41Å |
| 129 | S | 53.1 | Low | 50.5 | Low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -83.7 | -22.2 | -172.4 | 175.5 | 0 | 0 | 0 | 0 | 114.4 | R125 H131 | R125-S129 PolarHBondContact O-N 3.33Å; S129-H131 PolarHBondContact O-N 3.25Å |
| 130 | R | 49.2 | Very low | 49.9 | Very low | 229 Ų | 229 | 138.9 Ų | 138.9 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 10.5 | -167.5 | -63.8 | -176.8 | 98.8 | -178.6 | 6.8 | 116.5 | ||
| 131 | H | 47.4 | Very low | 49.2 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | 20.8 | -176.2 | -124.5 | -48.6 | 0 | 0 | 0 | 116.2 | S129 Y133 | S129-H131 PolarHBondContact O-N 3.25Å; H131-Y133 WeakPolarHBondContact O-CD1 3.46Å; H131-Y133 PolarHBondContact O-N 2.88Å; H131-Y133 VanDerWaalsContact O-N 3.16Å |
| 132 | S | 44.8 | Very low | 48.6 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | trans | -86.3 | 81.3 | 175.5 | -147.5 | 0 | 0 | 0 | 0 | 110.7 | K134 | S132-K134 PolarHBondContact O-N 3.01Š| ||
| 133 | Y | 50.9 | Low | 48 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 66% | 0.659 | 73% | 0.725 | S | S | * | * | trans | -76.4 | 111 | 161.6 | 53.1 | -84.4 | 0 | 0 | 0 | 107.5 | H131 I135 | H131-Y133 WeakPolarHBondContact O-CD1 3.46Å; H131-Y133 PolarHBondContact O-N 2.88Å; H131-Y133 VanDerWaalsContact O-N 3.16Å; Y133-I135 HydrophobicContact CD2-CD1 4.33Å; Y133-I135 HydrophobicContact CD2-CG1 3.75Å; Y133-I135 HydrophobicContact CE2-CD1 3.87Å; Y133-I135 HydrophobicContact CE2-CG1 3.82Å; Y133-I135 PolarHBondContact O-N 3.38Å | ||
| 134 | K | 51.2 | Low | 47.4 | Very low | 198 Ų | 198 | 150.2 Ų | 150.2 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -62.7 | 104.4 | 170.2 | -75.4 | -179.6 | 176.6 | -179.2 | 0 | 108.2 | S132 N136 | S132-K134 PolarHBondContact O-N 3.01Å; K134-N136 PolarHBondContact O-N 3.11Å; K134-N136 VanDerWaalsContact O-N 3.17Å | ||
| 135 | I | 53.4 | Low | 47.2 | Very low | 118 Ų | 118 | 158.2 Ų | 158.2 | 61% | 0.605 | 76% | 0.763 | S | S | * | * | trans | -72.8 | 103.7 | 164.7 | -57.1 | 175.7 | 0 | 0 | 0 | 106.3 | Y133 N137 | Y133-I135 HydrophobicContact CD2-CD1 4.33Å; Y133-I135 HydrophobicContact CD2-CG1 3.75Å; Y133-I135 HydrophobicContact CE2-CD1 3.87Å; Y133-I135 HydrophobicContact CE2-CG1 3.82Å; Y133-I135 PolarHBondContact O-N 3.38Å; I135-N137 PolarHBondContact O-N 3.4Å | ||
| 136 | N | 53.5 | Low | 46.6 | Very low | 125 Ų | 125 | 157.7 Ų | 157.7 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | trans | -74 | 92 | 174 | -169.1 | 12 | 0 | 0 | 0 | 109 | K134 N138 | K134-N136 PolarHBondContact O-N 3.11Å; K134-N136 VanDerWaalsContact O-N 3.17Å; N136-N138 PolarHBondContact O-N 3.14Å; N136-N138 VanDerWaalsContact O-N 3.12Å; N136-N138 VanDerWaalsContact OD1-CG 3.25Å; N136-N138 PolarHBondContact OD1-ND2 2.96Å; N136-N138 PolarHBondContact OD1-OD1 3.41Å | ||
| 137 | N | 43.8 | Very low | 46.3 | Very low | 145 Ų | 145 | 157.7 Ų | 157.7 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -84.2 | 66.9 | 172.6 | -91.9 | 1.2 | 0 | 0 | 0 | 110.3 | I135 | I135-N137 PolarHBondContact O-N 3.4Š| ||
| 138 | N | 43.8 | Very low | 46 | Very low | 125 Ų | 125 | 157.4 Ų | 157.4 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | trans | -103 | 87.2 | 166 | -75 | -0.1 | 0 | 0 | 0 | 108.3 | N136 | N136-N138 PolarHBondContact O-N 3.14Å; N136-N138 VanDerWaalsContact O-N 3.12Å; N136-N138 VanDerWaalsContact OD1-CG 3.25Å; N136-N138 PolarHBondContact OD1-ND2 2.96Å; N136-N138 PolarHBondContact OD1-OD1 3.41Å | ||
| 139 | N | 43 | Very low | 45.8 | Very low | 159 Ų | 159 | 155.9 Ų | 155.9 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -159.7 | 82.3 | 152.4 | -99.3 | -21 | 0 | 0 | 0 | 110.3 | ||||
| 140 | S | 41.2 | Very low | 45.9 | Very low | 114 Ų | 114 | 156.6 Ų | 156.6 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -49.1 | 134.2 | 152.4 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 141 | G | 38.4 | Very low | 46.2 | Very low | 69 Ų | 69 | 153 Ų | 153 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -51.2 | 141.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 142 | K | 40.6 | Very low | 46.8 | Very low | 197 Ų | 197 | 150.9 Ų | 150.9 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -175.1 | 116.7 | 144.3 | -100.8 | 160.6 | -169.9 | -176.3 | 0 | 108.9 | ||||
| 143 | K | 43.3 | Very low | 47.4 | Very low | 197 Ų | 197 | 153.7 Ų | 153.7 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | 56.7 | 112.8 | 144.4 | -64 | -178.1 | 175 | -179.1 | 0 | 118.9 | ||||
| 144 | K | 38.4 | Very low | 47.7 | Very low | 208 Ų | 208 | 155 Ų | 155 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | 13.6 | 112.8 | 137.9 | -68.7 | -177.8 | 175.8 | -179.7 | 0 | 116.3 | ||||
| 145 | R | 49.3 | Very low | 48.4 | Very low | 249 Ų | 249 | 149.9 Ų | 149.9 | 94% | 0.94 | 78% | 0.779 | S | S | * | * | trans | -155 | 119.2 | 144.1 | -105.9 | 167 | -171.6 | 171.4 | 1.6 | 109.1 | N147 | R145-N147 PolarHBondContact O-N 2.93Š| ||
| 146 | K | 38.9 | Very low | 49.1 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -60.6 | 124.7 | 173.1 | -70.5 | 176.3 | 171.4 | -176.9 | 0 | 108.3 | E148 | K146-E148 HydrophobicContact CB-CG 4.32Š| ||
| 147 | N | 45.5 | Very low | 50 | Low | 139 Ų | 139 | 155.2 Ų | 155.2 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -96 | 88.7 | 163.4 | -171.7 | -9.1 | 0 | 0 | 0 | 107.4 | R145 N149 | R145-N147 PolarHBondContact O-N 2.93Å; N147-N149 PolarHBondContact O-N 3.45Å | ||
| 148 | E | 45.1 | Very low | 51.5 | Low | 143 Ų | 143 | 154.6 Ų | 154.6 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | trans | -74.1 | 92.4 | 165.9 | -67.4 | 170.3 | -175.7 | 0 | 0 | 106.4 | K146 | K146-E148 HydrophobicContact CB-CG 4.32Š| ||
| 149 | N | 47.7 | Very low | 52.8 | Low | 148 Ų | 148 | 156.5 Ų | 156.5 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -169.6 | 26.4 | 163.8 | -94 | -8.6 | 0 | 0 | 0 | 113.7 | N147 I151 | N147-N149 PolarHBondContact O-N 3.45Å; N149-I151 PolarHBondContact O-N 2.87Å | ||
| 150 | S | 54.2 | Low | 53.9 | Low | 108 Ų | 108 | 156.7 Ų | 156.7 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -85 | 112.2 | 166.8 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | P152 | S150-P152 VanDerWaalsContact O-CD 3.24Å; S150-P152 WeakPolarHBondContact O-CD 3.39Å | ||
| 151 | I | 56.5 | Low | 55.3 | Low | 153 Ų | 153 | 160.9 Ų | 160.9 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -61.1 | 116.2 | 173.9 | -60.7 | 168.2 | 0 | 0 | 0 | 107.6 | N149 I153 | N149-I151 PolarHBondContact O-N 2.87Å; I151-I153 PolarHBondContact O-N 3.44Å | ||
| 152 | P | 59 | Low | 56.2 | Low | 112 Ų | 112 | 172.9 Ų | 172.9 | 73% | 0.727 | 84% | 0.837 | S | S | * | * | trans | -70.9 | 117.7 | 174.3 | 26.9 | -29.5 | 0 | 0 | 0 | 108.5 | S150 K154 | S150-P152 VanDerWaalsContact O-CD 3.24Å; S150-P152 WeakPolarHBondContact O-CD 3.39Å; P152-K154 VanDerWaalsContact C-N 3.34Å; P152-K154 PolarHBondContact O-N 3.02Å | ||
| 153 | I | 57.4 | Low | 57 | Low | 170 Ų | 170 | 171.7 Ų | 171.7 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | trans | -66.5 | 96.9 | 171.3 | -60 | 173.9 | 0 | 0 | 0 | 107.2 | I151 A155 | I151-I153 PolarHBondContact O-N 3.44Å; I153-A155 PolarHBondContact O-N 3.16Å | ||
| 154 | K | 58.7 | Low | 57.7 | Low | 196 Ų | 196 | 170.3 Ų | 170.3 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | trans | -72.9 | 103.7 | 177.4 | -162.3 | 174 | -173.3 | 178.9 | 0 | 108.6 | P152 R156 | P152-K154 VanDerWaalsContact C-N 3.34Å; P152-K154 PolarHBondContact O-N 3.02Å; K154-R156 PolarHBondContact O-N 3.33Å | ||
| 155 | A | 65.9 | Low | 58.7 | Low | 90 Ų | 90 | 168.2 Ų | 168.2 | 74% | 0.744 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 125.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | I153 | I153-A155 PolarHBondContact O-N 3.16Š|
| 156 | R | 68.1 | Low | 59.3 | Low | 230 Ų | 230 | 163.5 Ų | 163.5 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 133 | 175.2 | -71 | -176.9 | 178.6 | -170.5 | -0.7 | 109.5 | K154 | K154-R156 PolarHBondContact O-N 3.33Š|
| 157 | P | 71.1 | Confident | 60.6 | Low | 124 Ų | 124 | 162.3 Ų | 162.3 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 133.6 | 169.4 | 28.4 | -30.8 | 0 | 0 | 0 | 109.9 | ||
| 158 | V | 75.4 | Confident | 61.6 | Low | 132 Ų | 132 | 163.8 Ų | 163.8 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 124.8 | 170 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | L160 | V158-L160 PolarHBondContact O-N 2.91Š|
| 159 | L | 71.3 | Confident | 62.8 | Low | 166 Ų | 166 | 165.3 Ų | 165.3 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | trans | -68.2 | 112.7 | 172.4 | -71.9 | 167.1 | 0 | 0 | 0 | 109 | K161 | L159-K161 PolarHBondContact O-N 3.42Š| ||
| 160 | L | 67 | Low | 63.9 | Low | 163 Ų | 163 | 166.6 Ų | 166.6 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | trans | -69.9 | 122.3 | 156.6 | -96.8 | 87 | 0 | 0 | 0 | 107.7 | V158 | V158-L160 PolarHBondContact O-N 2.91Š| ||
| 161 | K | 69.8 | Low | 64.7 | Low | 201 Ų | 201 | 171.5 Ų | 171.5 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | trans | -70.9 | 137.8 | 162.3 | -88 | -177.3 | 173 | -177.7 | 0 | 108.6 | L159 | L159-K161 PolarHBondContact O-N 3.42Š| ||
| 162 | R | 56.8 | Low | 65.5 | Low | 321 Ų | 321 | 173.2 Ų | 173.2 | 100% | 1.211 | 86% | 0.861 | S | S | * | * | trans | -53.5 | 0 | 174.2 | -82.8 | -178.6 | 176 | 165.8 | -2.2 | 112.4 |
Retrieved 162 of 162 residues in 85.3 ms
(Link to these results)