| 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 | 39.3 | Very low | 54.3 | Low | 246 Ų | 246 | 142.5 Ų | 142.5 | 100% | 1.212 | 80% | 0.799 | S | S | * | * | 0 | 104.2 | 0 | -72.8 | 153 | 83.2 | 0 | 0 | 107.5 | |||||
| 2 | V | 46.4 | Very low | 54.8 | Low | 145 Ų | 145 | 138.7 Ų | 138.7 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -98.1 | 121 | 179.9 | 174 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | G | 52.7 | Low | 55.2 | Low | 59 Ų | 59 | 142.6 Ų | 142.6 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | -64.4 | 131.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N5 | G3-N5 PolarHBondContact O-N 2.79Š| ||
| 4 | K | 51.4 | Low | 55.4 | Low | 196 Ų | 196 | 140 Ų | 140 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -82.1 | 93.9 | 170.5 | -74 | 175.9 | 175.8 | 177.5 | 0 | 108.9 | V6 | K4-V6 PolarHBondContact O-N 2.83Å; K4-V6 VanDerWaalsContact O-N 3.14Å | ||
| 5 | N | 57.8 | Low | 55.9 | Low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -77.6 | 90.4 | 166.1 | -66.1 | -49.8 | 0 | 0 | 0 | 108.9 | G3 S7 | G3-N5 PolarHBondContact O-N 2.79Å; N5-S7 VanDerWaalsContact C-N 3.28Å; N5-S7 PolarHBondContact O-N 2.89Å | ||
| 6 | V | 55.7 | Low | 56.3 | Low | 110 Ų | 110 | 132.3 Ų | 132.3 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | trans | -88.9 | 69.2 | 168.1 | -71.3 | 0 | 0 | 0 | 0 | 109.3 | K4 K8 | K4-V6 PolarHBondContact O-N 2.83Å; K4-V6 VanDerWaalsContact O-N 3.14Å; V6-K8 HydrophobicContact CB-CG 4.42Å; V6-K8 PolarHBondContact O-N 3.31Å | ||
| 7 | S | 58.2 | Low | 56.6 | Low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -67.1 | 81.4 | 158.4 | -70.4 | 0 | 0 | 0 | 0 | 107.2 | N5 S9 | N5-S7 VanDerWaalsContact C-N 3.28Å; N5-S7 PolarHBondContact O-N 2.89Å; S7-S9 PolarHBondContact O-N 2.68Å | ||
| 8 | K | 54.6 | Low | 56.9 | Low | 182 Ų | 182 | 132.7 Ų | 132.7 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -64.9 | 92.1 | 168.2 | -69.3 | 177 | -178 | 172.2 | 0 | 105.7 | V6 L10 | V6-K8 HydrophobicContact CB-CG 4.42Å; V6-K8 PolarHBondContact O-N 3.31Å; K8-L10 PolarHBondContact O-N 2.93Å; K8-L10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | S | 59.2 | Low | 57.3 | Low | 94 Ų | 94 | 128.8 Ų | 128.8 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | trans | -47.2 | 122.4 | 165.9 | 177.9 | 0 | 0 | 0 | 0 | 107 | S7 T11 | S7-S9 PolarHBondContact O-N 2.68Å; S9-T11 PolarHBondContact O-N 3.46Å | ||
| 10 | L | 60.5 | Low | 57.8 | Low | 158 Ų | 158 | 132.4 Ų | 132.4 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | trans | -69.1 | 71.2 | 177.2 | -167.3 | 84.1 | 0 | 0 | 0 | 107.4 | K8 L12 | K8-L10 PolarHBondContact O-N 2.93Å; K8-L10 VanDerWaalsContact O-N 3.13Å; L10-L12 PolarHBondContact O-N 3.24Å | ||
| 11 | T | 61.1 | Low | 58.5 | Low | 105 Ų | 105 | 131.8 Ų | 131.8 | 64% | 0.644 | 72% | 0.715 | S | S | * | * | trans | -66 | 105.4 | 174.9 | 53.9 | 0 | 0 | 0 | 0 | 106.7 | S9 K13 | S9-T11 PolarHBondContact O-N 3.46Å; T11-K13 PolarHBondContact O-N 2.9Å | ||
| 12 | L | 60.4 | Low | 60.6 | Low | 97 Ų | 97 | 123.1 Ų | 123.1 | 51% | 0.508 | 68% | 0.678 | S | S | . | * | trans | -51.8 | 102.9 | 177.1 | -130.2 | 66.1 | 0 | 0 | 0 | 109 | L10 N14 V18 | L10-L12 PolarHBondContact O-N 3.24Å; L12-N14 PolarHBondContact O-N 3.37Å; L12-V18 HydrophobicContact CD2-CB 3.62Å; L12-V18 HydrophobicContact CD2-CG1 3.57Å; L12-V18 HydrophobicContact CD2-CG2 3.19Å; L12-V18 HydrophobicContact CG-CG2 3.71Å | ||
| 13 | K | 59.7 | Low | 62.6 | Low | 190 Ų | 190 | 118 Ų | 118 | 83% | 0.826 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -69.3 | 98.5 | 172.9 | -61.2 | -179.4 | -179 | -174.8 | 0 | 106.3 | T11 | T11-K13 PolarHBondContact O-N 2.9Š|
| 14 | N | 58.3 | Low | 64.4 | Low | 106 Ų | 106 | 117 Ų | 117 | 57% | 0.567 | 64% | 0.644 | S | S | * | * | trans | 100.5 | 80.6 | -178.3 | -58.9 | -70.9 | 0 | 0 | 0 | 116.3 | L12 G16 R17 | L12-N14 PolarHBondContact O-N 3.37Å; N14-G16 VanDerWaalsContact C-N 3.28Å; N14-G16 PolarHBondContact O-N 3.46Å; N14-R17 HydrophobicContact CB-CB 4.22Å; N14-R17 PolarHBondContact O-N 3.45Å | ||
| 15 | P | 63.5 | Low | 66.4 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 66% | 0.656 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.6 | -32 | 172.9 | 22.9 | -32.4 | 0 | 0 | 0 | 113.7 | V18 A19 | P15-V18 PolarHBondContact O-N 3.23Å; P15-A19 WeakPolarHBondContact O-CB 3.44Å; P15-A19 PolarHBondContact O-N 2.89Å |
| 16 | G | 61.8 | Low | 68.1 | Low | 55 Ų | 55 | 110.3 Ų | 110.3 | 57% | 0.567 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.9 | -35.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N14 Y20 | N14-G16 VanDerWaalsContact C-N 3.28Å; N14-G16 PolarHBondContact O-N 3.46Å; G16-Y20 PolarHBondContact O-N 2.89Å |
| 17 | R | 61.8 | Low | 70 | Confident | 205 Ų | 205 | 111 Ų | 111 | 77% | 0.774 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.5 | -38.8 | 175.6 | -103.2 | -177.1 | 176.4 | -112.2 | 1.6 | 111.7 | N14 Y20 D21 | N14-R17 HydrophobicContact CB-CB 4.22Å; N14-R17 PolarHBondContact O-N 3.45Å; R17-Y20 PolarHBondContact O-N 3.04Å; R17-D21 WeakPolarHBondContact O-CB 3.15Å; R17-D21 PolarHBondContact O-N 3.33Å; R17-D21 VanDerWaalsContact O-N 3.11Å |
| 18 | V | 62 | Low | 71.9 | Confident | 67 Ų | 67 | 110.4 Ų | 110.4 | 41% | 0.406 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.1 | -37.8 | 179.3 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | L12 P15 D21 S22 | L12-V18 HydrophobicContact CD2-CB 3.62Å; L12-V18 HydrophobicContact CD2-CG1 3.57Å; L12-V18 HydrophobicContact CD2-CG2 3.19Å; L12-V18 HydrophobicContact CG-CG2 3.71Å; P15-V18 PolarHBondContact O-N 3.23Å; V18-D21 PolarHBondContact O-N 3.46Å; V18-S22 VanDerWaalsContact O-CB 3.24Å; V18-S22 WeakPolarHBondContact O-CB 3.37Å; V18-S22 PolarHBondContact O-N 3.29Å; V18-S22 PolarHBondContact O-OG 3.1Å |
| 19 | A | 63.5 | Low | 73.9 | Confident | 59 Ų | 59 | 108.7 Ų | 108.7 | 49% | 0.488 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.7 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | P15 S22 G23 | P15-A19 WeakPolarHBondContact O-CB 3.44Å; P15-A19 PolarHBondContact O-N 2.89Å; A19-S22 WeakPolarHBondContact CA-OG 3.29Å; A19-S22 PolarHBondContact O-N 2.89Å; A19-S22 PolarHBondContact O-OG 3Å; A19-G23 PolarHBondContact O-N 3.28Å; A19-G23 VanDerWaalsContact O-N 3.15Å |
| 20 | Y | 67 | Low | 75.8 | Confident | 201 Ų | 201 | 109 Ų | 109 | 79% | 0.788 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.8 | -46.4 | 177.5 | -176 | -97.5 | 0 | 0 | 0 | 112.6 | G16 R17 S22 G23 G24 | G16-Y20 PolarHBondContact O-N 2.89Å; R17-Y20 PolarHBondContact O-N 3.04Å; Y20-S22 VanDerWaalsContact C-N 3.33Å; Y20-S22 PolarHBondContact O-N 3.47Å; Y20-G23 PolarHBondContact O-N 3.35Å; Y20-G24 PolarHBondContact O-N 2.87Å |
| 21 | D | 74.3 | Confident | 77.6 | Confident | 120 Ų | 120 | 108.5 Ų | 108.5 | 64% | 0.642 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.4 | -38.8 | 178 | -165.2 | 26.3 | 0 | 0 | 0 | 111.8 | R17 V18 G23 G24 I25 | R17-D21 WeakPolarHBondContact O-CB 3.15Å; R17-D21 PolarHBondContact O-N 3.33Å; R17-D21 VanDerWaalsContact O-N 3.11Å; V18-D21 PolarHBondContact O-N 3.46Å; D21-G23 VanDerWaalsContact C-N 3.34Å; D21-G23 PolarHBondContact O-N 3.29Å; D21-G24 PolarHBondContact O-N 3.33Å; D21-I25 WeakPolarHBondContact O-CG2 3.49Å; D21-I25 PolarHBondContact O-N 3.06Å; D21-I25 VanDerWaalsContact O-N 3.15Å |
| 22 | S | 81.9 | Confident | 79.4 | Confident | 63 Ų | 63 | 106.7 Ų | 106.7 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.7 | -32 | 177.9 | 74.3 | 0 | 0 | 0 | 0 | 113.7 | V18 A19 Y20 I25 K26 | V18-S22 VanDerWaalsContact O-CB 3.24Å; V18-S22 WeakPolarHBondContact O-CB 3.37Å; V18-S22 PolarHBondContact O-N 3.29Å; V18-S22 PolarHBondContact O-OG 3.1Å; A19-S22 WeakPolarHBondContact CA-OG 3.29Å; A19-S22 PolarHBondContact O-N 2.89Å; A19-S22 PolarHBondContact O-OG 3Å; Y20-S22 VanDerWaalsContact C-N 3.33Å; Y20-S22 PolarHBondContact O-N 3.47Å; S22-I25 WeakPolarHBondContact O-CG2 3.25Å; S22-K26 WeakPolarHBondContact O-CB 3.47Å; S22-K26 PolarHBondContact O-N 3.46Å; S22-K26 VanDerWaalsContact O-N 3.1Å |
| 23 | G | 89.6 | Confident | 81.2 | Confident | 39 Ų | 39 | 107.5 Ų | 107.5 | 40% | 0.402 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.3 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A19 Y20 D21 K26 M27 | A19-G23 PolarHBondContact O-N 3.28Å; A19-G23 VanDerWaalsContact O-N 3.15Å; Y20-G23 PolarHBondContact O-N 3.35Å; D21-G23 VanDerWaalsContact C-N 3.34Å; D21-G23 PolarHBondContact O-N 3.29Å; G23-K26 PolarHBondContact O-N 3.45Å; G23-M27 WeakPolarHBondContact O-CB 3.43Å; G23-M27 PolarHBondContact O-N 2.95Å |
| 24 | G | 90.9 | Very high | 83 | Confident | 37 Ų | 37 | 103.3 Ų | 103.3 | 38% | 0.381 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y20 D21 K26 M27 F28 | Y20-G24 PolarHBondContact O-N 2.87Å; D21-G24 PolarHBondContact O-N 3.33Å; G24-K26 VanDerWaalsContact C-N 3.34Å; G24-K26 PolarHBondContact O-N 3.31Å; G24-M27 PolarHBondContact O-N 3.36Å; G24-F28 WeakPolarHBondContact O-CB 3.5Å; G24-F28 PolarHBondContact O-N 3.05Å |
| 25 | I | 92 | Very high | 84.9 | Confident | 85 Ų | 85 | 103 Ų | 103 | 44% | 0.436 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 177.7 | -165.8 | 58.8 | 0 | 0 | 0 | 111.8 | D21 S22 F28 W29 | D21-I25 WeakPolarHBondContact O-CG2 3.49Å; D21-I25 PolarHBondContact O-N 3.06Å; D21-I25 VanDerWaalsContact O-N 3.15Å; S22-I25 WeakPolarHBondContact O-CG2 3.25Å; I25-F28 HydrophobicContact CD1-CD1 4.41Å; I25-F28 PolarHBondContact O-N 3.48Å; I25-W29 PolarHBondContact O-N 2.98Å; I25-W29 VanDerWaalsContact O-N 3.1Å |
| 26 | K | 94.3 | Very high | 86.6 | Confident | 125 Ų | 125 | 103.4 Ų | 103.4 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -54.5 | 174.9 | 175.4 | -179.3 | 170.4 | -177.2 | 0 | 111.1 | S22 G23 G24 F28 W29 E30 | S22-K26 WeakPolarHBondContact O-CB 3.47Å; S22-K26 PolarHBondContact O-N 3.46Å; S22-K26 VanDerWaalsContact O-N 3.1Å; G23-K26 PolarHBondContact O-N 3.45Å; G24-K26 VanDerWaalsContact C-N 3.34Å; G24-K26 PolarHBondContact O-N 3.31Å; K26-F28 VanDerWaalsContact C-N 3.28Å; K26-F28 PolarHBondContact O-N 3.07Å; K26-W29 PolarHBondContact O-N 3.48Å; K26-W29 VanDerWaalsContact O-N 3.14Å; K26-E30 WeakPolarHBondContact CE-OE1 3.35Å; K26-E30 HydrophobicContact CG-CG 4.32Å; K26-E30 IonicContact NZ-OE1 3.14Å; K26-E30 WeakPolarHBondContact O-CG 3.39Å; K26-E30 PolarHBondContact O-N 3.04Å |
| 27 | M | 96 | Very high | 88.3 | Confident | 125 Ų | 125 | 103.5 Ų | 103.5 | 62% | 0.616 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.5 | -38.9 | -179 | 179.4 | 177.8 | 54.9 | 0 | 0 | 111.9 | G23 G24 E30 K31 | G23-M27 WeakPolarHBondContact O-CB 3.43Å; G23-M27 PolarHBondContact O-N 2.95Å; G24-M27 PolarHBondContact O-N 3.36Å; M27-E30 PolarHBondContact O-N 3.41Å; M27-K31 WeakPolarHBondContact O-CB 3.42Å; M27-K31 PolarHBondContact O-N 3.01Å |
| 28 | F | 96.4 | Very high | 90.1 | Very high | 105 Ų | 105 | 98.8 Ų | 98.8 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.4 | -51.1 | 174.5 | 172 | -95.1 | 0 | 0 | 0 | 111.3 | G24 I25 K26 K31 Q32 | G24-F28 WeakPolarHBondContact O-CB 3.5Å; G24-F28 PolarHBondContact O-N 3.05Å; I25-F28 HydrophobicContact CD1-CD1 4.41Å; I25-F28 PolarHBondContact O-N 3.48Å; K26-F28 VanDerWaalsContact C-N 3.28Å; K26-F28 PolarHBondContact O-N 3.07Å; F28-K31 PolarHBondContact O-N 3.3Å; F28-Q32 HydrophobicContact CE1-CG 4.06Å; F28-Q32 HydrophobicContact CE2-CG 4.3Å; F28-Q32 HydrophobicContact CZ-CG 3.95Å; F28-Q32 WeakPolarHBondContact O-CG 3.41Å; F28-Q32 PolarHBondContact O-N 2.77Å |
| 29 | W | 98 | Very high | 91.8 | Very high | 146 Ų | 146 | 100.4 Ų | 100.4 | 55% | 0.553 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.7 | -39.5 | 179.9 | -74.7 | 118.9 | 0 | 0 | 0 | 112.8 | I25 K26 K31 Q32 I33 | I25-W29 PolarHBondContact O-N 2.98Å; I25-W29 VanDerWaalsContact O-N 3.1Å; K26-W29 PolarHBondContact O-N 3.48Å; K26-W29 VanDerWaalsContact O-N 3.14Å; W29-K31 VanDerWaalsContact C-N 3.33Å; W29-K31 PolarHBondContact O-N 2.72Å; W29-Q32 HydrophobicContact CE3-CB 4.35Å; W29-Q32 PolarHBondContact O-N 3.31Å; W29-I33 WeakPolarHBondContact O-CB 3.45Å; W29-I33 WeakPolarHBondContact O-CD1 3.41Å; W29-I33 WeakPolarHBondContact O-CG1 3.37Å; W29-I33 PolarHBondContact O-N 3.43Å |
| 30 | E | 98.3 | Very high | 93.5 | Very high | 101 Ų | 101 | 103.6 Ų | 103.6 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.4 | -74.5 | 175.8 | 158.1 | 0 | 0 | 111.2 | K26 M27 Q32 I33 E34 | K26-E30 WeakPolarHBondContact CE-OE1 3.35Å; K26-E30 HydrophobicContact CG-CG 4.32Å; K26-E30 IonicContact NZ-OE1 3.14Å; K26-E30 WeakPolarHBondContact O-CG 3.39Å; K26-E30 PolarHBondContact O-N 3.04Å; M27-E30 PolarHBondContact O-N 3.41Å; E30-Q32 VanDerWaalsContact C-N 3.35Å; E30-Q32 PolarHBondContact O-N 2.99Å; E30-I33 PolarHBondContact O-N 3.5Å; E30-E34 VanDerWaalsContact O-CB 3.29Å; E30-E34 WeakPolarHBondContact O-CB 3.44Å; E30-E34 PolarHBondContact O-N 3.36Å |
| 31 | K | 98.3 | Very high | 95 | Very high | 147 Ų | 147 | 99.5 Ų | 99.5 | 64% | 0.639 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -40.5 | 176.8 | -174 | 175.7 | -179.3 | 177.1 | 0 | 112.2 | M27 F28 W29 H35 | M27-K31 WeakPolarHBondContact O-CB 3.42Å; M27-K31 PolarHBondContact O-N 3.01Å; F28-K31 PolarHBondContact O-N 3.3Å; W29-K31 VanDerWaalsContact C-N 3.33Å; W29-K31 PolarHBondContact O-N 2.72Å; K31-H35 WeakPolarHBondContact O-CB 3.44Å; K31-H35 PolarHBondContact O-N 3.21Å |
| 32 | Q | 98.3 | Very high | 96.1 | Very high | 66 Ų | 66 | 98.1 Ų | 98.1 | 31% | 0.308 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -48.7 | 176 | -75.7 | -59.8 | -34.3 | 0 | 0 | 111.4 | F28 W29 E30 E34 H35 H36 | F28-Q32 HydrophobicContact CE1-CG 4.06Å; F28-Q32 HydrophobicContact CE2-CG 4.3Å; F28-Q32 HydrophobicContact CZ-CG 3.95Å; F28-Q32 WeakPolarHBondContact O-CG 3.41Å; F28-Q32 PolarHBondContact O-N 2.77Å; W29-Q32 HydrophobicContact CE3-CB 4.35Å; W29-Q32 PolarHBondContact O-N 3.31Å; E30-Q32 VanDerWaalsContact C-N 3.35Å; E30-Q32 PolarHBondContact O-N 2.99Å; Q32-E34 VanDerWaalsContact C-N 3.32Å; Q32-E34 PolarHBondContact O-N 2.98Å; Q32-H35 PolarHBondContact O-N 3.13Å; Q32-H36 PolarHBondContact O-N 3.42Å; Q32-H36 PolarHBondContact O-ND1 3.41Å; Q32-H36 PolarHBondContact OE1-CE1 2.94Å |
| 33 | I | 98.2 | Very high | 96.9 | Very high | 114 Ų | 114 | 97.9 Ų | 97.9 | 59% | 0.585 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.2 | -47.4 | 178.2 | -69 | 162.7 | 0 | 0 | 0 | 110.2 | W29 E30 H35 H36 A37 | W29-I33 WeakPolarHBondContact O-CB 3.45Å; W29-I33 WeakPolarHBondContact O-CD1 3.41Å; W29-I33 WeakPolarHBondContact O-CG1 3.37Å; W29-I33 PolarHBondContact O-N 3.43Å; E30-I33 PolarHBondContact O-N 3.5Å; I33-H35 PolarHBondContact O-N 2.93Å; I33-H36 PolarHBondContact O-N 2.88Å; I33-A37 WeakPolarHBondContact O-CB 3.33Å; I33-A37 PolarHBondContact O-N 2.84Å |
| 34 | E | 98.6 | Very high | 97.2 | Very high | 102 Ų | 102 | 99.7 Ų | 99.7 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | -179.5 | -165.2 | -158.4 | -168.3 | 0 | 0 | 112.2 | E30 Q32 A37 R38 | E30-E34 VanDerWaalsContact O-CB 3.29Å; E30-E34 WeakPolarHBondContact O-CB 3.44Å; E30-E34 PolarHBondContact O-N 3.36Å; Q32-E34 VanDerWaalsContact C-N 3.32Å; Q32-E34 PolarHBondContact O-N 2.98Å; E34-A37 PolarHBondContact O-N 3.46Å; E34-R38 VanDerWaalsContact CD-CZ 3.47Å; E34-R38 VanDerWaalsContact CD-NH2 3.31Å; E34-R38 PolarHBondContact O-N 3.09Å; E34-R38 IonicContact OE1-CZ 3.91Å; E34-R38 IonicContact OE1-NH1 3.72Å; E34-R38 PolarHBondContact OE1-NH1 3.27Å; E34-R38 IonicContact OE1-NH2 2.73Å; E34-R38 IonicContact OE2-CZ 2.82Å; E34-R38 IonicContact OE2-NH1 3.71Å; E34-R38 PolarHBondContact OE2-NH1 2.91Å; E34-R38 VanDerWaalsContact OE2-NH1 3.08Å; E34-R38 IonicContact OE2-NH2 3.08Å; E34-R38 PolarHBondContact OE2-NH2 3.04Å |
| 35 | H | 98.6 | Very high | 97.5 | Very high | 99 Ų | 99 | 100.5 Ų | 100.5 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 173.2 | 172.6 | -91.2 | 0 | 0 | 0 | 111.9 | K31 Q32 I33 A37 R38 H39 | K31-H35 WeakPolarHBondContact O-CB 3.44Å; K31-H35 PolarHBondContact O-N 3.21Å; Q32-H35 PolarHBondContact O-N 3.13Å; I33-H35 PolarHBondContact O-N 2.93Å; H35-A37 PolarHBondContact O-N 3.19Å; H35-R38 PolarHBondContact O-N 3Å; H35-H39 WeakPolarHBondContact O-CB 3.49Å; H35-H39 PolarHBondContact O-N 3.49Å |
| 36 | H | 98.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 104 Ų | 104 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 179.8 | -72.1 | 85.2 | 0 | 0 | 0 | 112 | Q32 I33 H39 L40 | Q32-H36 PolarHBondContact O-N 3.42Å; Q32-H36 PolarHBondContact O-ND1 3.41Å; Q32-H36 PolarHBondContact OE1-CE1 2.94Å; I33-H36 PolarHBondContact O-N 2.88Å; H36-H39 PolarHBondContact O-N 3.47Å; H36-L40 WeakPolarHBondContact O-CB 3.41Å; H36-L40 PolarHBondContact O-N 2.92Å |
| 37 | A | 98.5 | Very high | 97.9 | Very high | 57 Ų | 57 | 102.4 Ų | 102.4 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I33 E34 H35 L40 Q41 | I33-A37 WeakPolarHBondContact O-CB 3.33Å; I33-A37 PolarHBondContact O-N 2.84Å; E34-A37 PolarHBondContact O-N 3.46Å; H35-A37 PolarHBondContact O-N 3.19Å; A37-L40 PolarHBondContact O-N 3.44Å; A37-Q41 PolarHBondContact O-N 3Å |
| 38 | R | 98.6 | Very high | 97.8 | Very high | 106 Ų | 106 | 104.6 Ų | 104.6 | 40% | 0.4 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 174.1 | -78.4 | -173.2 | -70.5 | -104.4 | -8.9 | 112.3 | E34 H35 L40 Q41 N42 | E34-R38 VanDerWaalsContact CD-CZ 3.47Å; E34-R38 VanDerWaalsContact CD-NH2 3.31Å; E34-R38 PolarHBondContact O-N 3.09Å; E34-R38 IonicContact OE1-CZ 3.91Å; E34-R38 IonicContact OE1-NH1 3.72Å; E34-R38 PolarHBondContact OE1-NH1 3.27Å; E34-R38 IonicContact OE1-NH2 2.73Å; E34-R38 IonicContact OE2-CZ 2.82Å; E34-R38 IonicContact OE2-NH1 3.71Å; E34-R38 PolarHBondContact OE2-NH1 2.91Å; E34-R38 VanDerWaalsContact OE2-NH1 3.08Å; E34-R38 IonicContact OE2-NH2 3.08Å; E34-R38 PolarHBondContact OE2-NH2 3.04Å; H35-R38 PolarHBondContact O-N 3Å; R38-L40 VanDerWaalsContact C-N 3.33Å; R38-L40 PolarHBondContact O-N 3.47Å; R38-Q41 PolarHBondContact O-N 3.34Å; R38-N42 WeakPolarHBondContact O-CB 3.27Å; R38-N42 VanDerWaalsContact O-CG 3.25Å; R38-N42 PolarHBondContact O-N 3.41Å; R38-N42 PolarHBondContact O-ND2 3.49Å |
| 39 | H | 98.3 | Very high | 97.7 | Very high | 101 Ų | 101 | 109.6 Ų | 109.6 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 179.3 | -173.6 | 71.3 | 0 | 0 | 0 | 111.2 | H35 H36 Q41 N42 E43 | H35-H39 WeakPolarHBondContact O-CB 3.49Å; H35-H39 PolarHBondContact O-N 3.49Å; H36-H39 PolarHBondContact O-N 3.47Å; H39-Q41 PolarHBondContact O-N 3.03Å; H39-N42 PolarHBondContact O-N 3.43Å; H39-E43 PolarHBondContact O-N 3.38Å |
| 40 | L | 98.4 | Very high | 97.6 | Very high | 126 Ų | 126 | 105.1 Ų | 105.1 | 66% | 0.66 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.7 | -45 | 176.2 | -176.4 | 65.2 | 0 | 0 | 0 | 112 | H36 A37 R38 N42 E43 D44 | H36-L40 WeakPolarHBondContact O-CB 3.41Å; H36-L40 PolarHBondContact O-N 2.92Å; A37-L40 PolarHBondContact O-N 3.44Å; R38-L40 VanDerWaalsContact C-N 3.33Å; R38-L40 PolarHBondContact O-N 3.47Å; L40-N42 VanDerWaalsContact C-N 3.34Å; L40-N42 PolarHBondContact O-N 3.39Å; L40-E43 PolarHBondContact O-N 2.84Å; L40-D44 WeakPolarHBondContact O-CB 3.37Å; L40-D44 PolarHBondContact O-N 3.44Å |
| 41 | Q | 98.3 | Very high | 97.5 | Very high | 116 Ų | 116 | 103.2 Ų | 103.2 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 177.3 | -172.4 | -174 | -8.1 | 0 | 0 | 112 | A37 R38 H39 D44 M45 | A37-Q41 PolarHBondContact O-N 3Å; R38-Q41 PolarHBondContact O-N 3.34Å; H39-Q41 PolarHBondContact O-N 3.03Å; Q41-D44 PolarHBondContact O-N 3.39Å; Q41-M45 HydrophobicContact CG-CE 4.31Å; Q41-M45 WeakPolarHBondContact O-CG 3.31Å; Q41-M45 PolarHBondContact O-N 3.03Å |
| 42 | N | 98.1 | Very high | 97.4 | Very high | 90 Ų | 90 | 100 Ų | 100 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 177.8 | -72.9 | -18.2 | 0 | 0 | 0 | 111.8 | R38 H39 L40 M45 R46 | R38-N42 WeakPolarHBondContact O-CB 3.27Å; R38-N42 VanDerWaalsContact O-CG 3.25Å; R38-N42 PolarHBondContact O-N 3.41Å; R38-N42 PolarHBondContact O-ND2 3.49Å; H39-N42 PolarHBondContact O-N 3.43Å; L40-N42 VanDerWaalsContact C-N 3.34Å; L40-N42 PolarHBondContact O-N 3.39Å; N42-M45 PolarHBondContact O-N 2.85Å; N42-M45 WeakPolarHBondContact OD1-CE 3.39Å; N42-R46 WeakPolarHBondContact O-CB 3.48Å; N42-R46 PolarHBondContact O-N 2.88Å |
| 43 | E | 97.9 | Very high | 97.2 | Very high | 59 Ų | 59 | 102 Ų | 102 | 28% | 0.276 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.2 | -77.8 | -58.5 | 117.6 | 0 | 0 | 112 | H39 L40 M45 R46 V47 | H39-E43 PolarHBondContact O-N 3.38Å; L40-E43 PolarHBondContact O-N 2.84Å; E43-M45 PolarHBondContact O-N 3.31Å; E43-R46 VanDerWaalsContact CD-NE 3.32Å; E43-R46 WeakPolarHBondContact O-CB 3.41Å; E43-R46 PolarHBondContact O-N 2.9Å; E43-R46 IonicContact OE1-CZ 2.65Å; E43-R46 IonicContact OE1-NE 3.38Å; E43-R46 PolarHBondContact OE1-NE 2.93Å; E43-R46 IonicContact OE1-NH2 2.86Å; E43-R46 IonicContact OE2-CZ 3.78Å; E43-R46 IonicContact OE2-NE 3.02Å; E43-R46 PolarHBondContact OE2-NE 3.29Å; E43-R46 IonicContact OE2-NH2 3.94Å; E43-R46 PolarHBondContact OE2-NH2 3.02Å; E43-V47 WeakPolarHBondContact O-CB 3.36Å; E43-V47 VanDerWaalsContact O-CG2 3.32Å; E43-V47 WeakPolarHBondContact O-CG2 3.37Å; E43-V47 PolarHBondContact O-N 3.23Å |
| 44 | D | 97.4 | Very high | 97.1 | Very high | 76 Ų | 76 | 104.6 Ų | 104.6 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -46 | 173.7 | 176.4 | 67.1 | 0 | 0 | 0 | 111.6 | L40 Q41 R46 V47 R48 | L40-D44 WeakPolarHBondContact O-CB 3.37Å; L40-D44 PolarHBondContact O-N 3.44Å; Q41-D44 PolarHBondContact O-N 3.39Å; D44-R46 PolarHBondContact O-N 2.93Å; D44-V47 PolarHBondContact O-N 3.45Å; D44-R48 WeakPolarHBondContact O-CB 3.48Å; D44-R48 WeakPolarHBondContact O-CG 3.2Å; D44-R48 PolarHBondContact O-N 2.65Å; D44-R48 IonicContact OD1-NE 3.79Å; D44-R48 IonicContact OD2-CZ 3.13Å; D44-R48 IonicContact OD2-NE 2.77Å; D44-R48 PolarHBondContact OD2-NE 2.86Å; D44-R48 IonicContact OD2-NH2 2.72Å; D44-R48 PolarHBondContact OD2-NH2 2.82Å |
| 45 | M | 97.4 | Very high | 97 | Very high | 55 Ų | 55 | 104.5 Ų | 104.5 | 27% | 0.271 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 173.9 | -75.2 | -168.3 | -69.7 | 0 | 0 | 112.5 | Q41 N42 E43 R48 R49 | Q41-M45 HydrophobicContact CG-CE 4.31Å; Q41-M45 WeakPolarHBondContact O-CG 3.31Å; Q41-M45 PolarHBondContact O-N 3.03Å; N42-M45 PolarHBondContact O-N 2.85Å; N42-M45 WeakPolarHBondContact OD1-CE 3.39Å; E43-M45 PolarHBondContact O-N 3.31Å; M45-R48 PolarHBondContact O-N 3.48Å; M45-R49 WeakPolarHBondContact O-CB 3.46Å; M45-R49 VanDerWaalsContact O-CG 3.31Å; M45-R49 WeakPolarHBondContact O-CG 3.45Å; M45-R49 PolarHBondContact O-N 3.08Å |
| 46 | R | 97.1 | Very high | 96.9 | Very high | 157 Ų | 157 | 107.3 Ų | 107.3 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -46.5 | 177.7 | -173 | -177.7 | 73.9 | 105.9 | 0.8 | 110.9 | N42 E43 D44 R49 S50 | N42-R46 WeakPolarHBondContact O-CB 3.48Å; N42-R46 PolarHBondContact O-N 2.88Å; E43-R46 VanDerWaalsContact CD-NE 3.32Å; E43-R46 WeakPolarHBondContact O-CB 3.41Å; E43-R46 PolarHBondContact O-N 2.9Å; E43-R46 IonicContact OE1-CZ 2.65Å; E43-R46 IonicContact OE1-NE 3.38Å; E43-R46 PolarHBondContact OE1-NE 2.93Å; E43-R46 IonicContact OE1-NH2 2.86Å; E43-R46 IonicContact OE2-CZ 3.78Å; E43-R46 IonicContact OE2-NE 3.02Å; E43-R46 PolarHBondContact OE2-NE 3.29Å; E43-R46 IonicContact OE2-NH2 3.94Å; E43-R46 PolarHBondContact OE2-NH2 3.02Å; D44-R46 PolarHBondContact O-N 2.93Å; R46-R49 PolarHBondContact O-N 2.73Å; R46-S50 WeakPolarHBondContact O-CB 3.4Å; R46-S50 PolarHBondContact O-N 3.41Å |
| 47 | V | 95.8 | Very high | 96.9 | Very high | 92 Ų | 92 | 105.3 Ų | 105.3 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -45.6 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | E43 D44 R49 S50 | E43-V47 WeakPolarHBondContact O-CB 3.36Å; E43-V47 VanDerWaalsContact O-CG2 3.32Å; E43-V47 WeakPolarHBondContact O-CG2 3.37Å; E43-V47 PolarHBondContact O-N 3.23Å; D44-V47 PolarHBondContact O-N 3.45Å; V47-R49 VanDerWaalsContact C-N 3.3Å; V47-R49 PolarHBondContact O-N 2.91Å; V47-S50 VanDerWaalsContact O-CB 3.27Å; V47-S50 WeakPolarHBondContact O-CB 3.32Å; V47-S50 PolarHBondContact O-N 3.45Å; V47-S50 VanDerWaalsContact O-N 3.09Å |
| 48 | R | 94.3 | Very high | 96.8 | Very high | 171 Ų | 171 | 104.1 Ų | 104.1 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -35.5 | 177.8 | -76.6 | -170.4 | -75.3 | 144.2 | -6.9 | 113.3 | D44 M45 S50 | D44-R48 WeakPolarHBondContact O-CB 3.48Å; D44-R48 WeakPolarHBondContact O-CG 3.2Å; D44-R48 PolarHBondContact O-N 2.65Å; D44-R48 IonicContact OD1-NE 3.79Å; D44-R48 IonicContact OD2-CZ 3.13Å; D44-R48 IonicContact OD2-NE 2.77Å; D44-R48 PolarHBondContact OD2-NE 2.86Å; D44-R48 IonicContact OD2-NH2 2.72Å; D44-R48 PolarHBondContact OD2-NH2 2.82Å; M45-R48 PolarHBondContact O-N 3.48Å; R48-S50 VanDerWaalsContact C-N 3.35Å |
| 49 | R | 95.8 | Very high | 96.8 | Very high | 211 Ų | 211 | 107.9 Ų | 107.9 | 80% | 0.796 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -82 | -14 | 176.5 | -69.6 | 177 | 179.3 | 174.8 | 1.1 | 113.3 | M45 R46 V47 | M45-R49 WeakPolarHBondContact O-CB 3.46Å; M45-R49 VanDerWaalsContact O-CG 3.31Å; M45-R49 WeakPolarHBondContact O-CG 3.45Å; M45-R49 PolarHBondContact O-N 3.08Å; R46-R49 PolarHBondContact O-N 2.73Å; V47-R49 VanDerWaalsContact C-N 3.3Å; V47-R49 PolarHBondContact O-N 2.91Å |
| 50 | S | 95.8 | Very high | 96.8 | Very high | 52 Ų | 52 | 105.9 Ų | 105.9 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | trans | -68.7 | 137.8 | -177.2 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | R46 V47 R48 L52 | R46-S50 WeakPolarHBondContact O-CB 3.4Å; R46-S50 PolarHBondContact O-N 3.41Å; V47-S50 VanDerWaalsContact O-CB 3.27Å; V47-S50 WeakPolarHBondContact O-CB 3.32Å; V47-S50 PolarHBondContact O-N 3.45Å; V47-S50 VanDerWaalsContact O-N 3.09Å; R48-S50 VanDerWaalsContact C-N 3.35Å; S50-L52 PolarHBondContact O-N 3.35Å; S50-L52 WeakPolarHBondContact OG-CB 3.35Å; S50-L52 PolarHBondContact OG-N 2.97Å; S50-L52 VanDerWaalsContact OG-N 3.13Å | ||
| 51 | A | 96.1 | Very high | 96.7 | Very high | 60 Ų | 60 | 105.8 Ų | 105.8 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -9.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N53 K54 L55 | A51-N53 VanDerWaalsContact C-N 3.29Å; A51-N53 PolarHBondContact O-N 3.45Å; A51-K54 WeakPolarHBondContact O-CB 3.38Å; A51-K54 PolarHBondContact O-N 3.36Å; A51-L55 WeakPolarHBondContact O-CG 3.29Å; A51-L55 PolarHBondContact O-N 3.25Å |
| 52 | L | 95.8 | Very high | 96.7 | Very high | 79 Ų | 79 | 106.6 Ų | 106.6 | 41% | 0.414 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.3 | -39.3 | -172.4 | -174.9 | 61.7 | 0 | 0 | 0 | 113.2 | S50 L55 R56 | S50-L52 PolarHBondContact O-N 3.35Å; S50-L52 WeakPolarHBondContact OG-CB 3.35Å; S50-L52 PolarHBondContact OG-N 2.97Å; S50-L52 VanDerWaalsContact OG-N 3.13Å; L52-L55 PolarHBondContact O-N 3Å; L52-R56 WeakPolarHBondContact O-CG 3.45Å; L52-R56 PolarHBondContact O-N 2.97Å |
| 53 | N | 93.6 | Very high | 96.7 | Very high | 110 Ų | 110 | 106.4 Ų | 106.4 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 177.9 | -166.3 | 54.7 | 0 | 0 | 0 | 111.6 | A51 L55 R56 V57 | A51-N53 VanDerWaalsContact C-N 3.29Å; A51-N53 PolarHBondContact O-N 3.45Å; N53-L55 VanDerWaalsContact C-N 3.34Å; N53-L55 PolarHBondContact O-N 3.3Å; N53-R56 PolarHBondContact O-N 2.83Å; N53-V57 WeakPolarHBondContact O-CG2 3.45Å; N53-V57 PolarHBondContact O-N 3.2Å |
| 54 | K | 95.6 | Very high | 96.6 | Very high | 168 Ų | 168 | 108.5 Ų | 108.5 | 73% | 0.73 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 176.8 | -61.4 | -178.7 | 179.1 | -178.8 | 0 | 111.3 | A51 V57 G58 | A51-K54 WeakPolarHBondContact O-CB 3.38Å; A51-K54 PolarHBondContact O-N 3.36Å; K54-V57 PolarHBondContact O-N 2.73Å; K54-G58 PolarHBondContact O-N 3.47Å |
| 55 | L | 97.4 | Very high | 96.5 | Very high | 99 Ų | 99 | 106.3 Ų | 106.3 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176 | -69 | 173.6 | 0 | 0 | 0 | 111.3 | A51 L52 N53 V57 G58 W59 | A51-L55 WeakPolarHBondContact O-CG 3.29Å; A51-L55 PolarHBondContact O-N 3.25Å; L52-L55 PolarHBondContact O-N 3Å; N53-L55 VanDerWaalsContact C-N 3.34Å; N53-L55 PolarHBondContact O-N 3.3Å; L55-V57 VanDerWaalsContact C-N 3.34Å; L55-V57 PolarHBondContact O-N 3.39Å; L55-G58 PolarHBondContact O-N 3.46Å; L55-W59 WeakPolarHBondContact O-CB 3.38Å; L55-W59 PolarHBondContact O-N 3.43Å |
| 56 | R | 96.8 | Very high | 96.4 | Very high | 159 Ų | 159 | 110.9 Ų | 110.9 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.9 | -44.9 | 177.5 | -77 | 177.1 | 179.4 | 142.8 | -3 | 112.4 | L52 N53 W59 A60 | L52-R56 WeakPolarHBondContact O-CG 3.45Å; L52-R56 PolarHBondContact O-N 2.97Å; N53-R56 PolarHBondContact O-N 2.83Å; R56-W59 PolarHBondContact O-N 3.1Å; R56-A60 WeakPolarHBondContact O-CB 3.4Å; R56-A60 PolarHBondContact O-N 3.33Å |
| 57 | V | 97.1 | Very high | 96.3 | Very high | 68 Ų | 68 | 107.7 Ų | 107.7 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -52.2 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | N53 K54 L55 W59 A60 E61 | N53-V57 WeakPolarHBondContact O-CG2 3.45Å; N53-V57 PolarHBondContact O-N 3.2Å; K54-V57 PolarHBondContact O-N 2.73Å; L55-V57 VanDerWaalsContact C-N 3.34Å; L55-V57 PolarHBondContact O-N 3.39Å; V57-W59 VanDerWaalsContact C-N 3.3Å; V57-W59 PolarHBondContact O-N 3.46Å; V57-A60 WeakPolarHBondContact O-CB 3.46Å; V57-A60 PolarHBondContact O-N 3.02Å; V57-A60 VanDerWaalsContact O-N 3.07Å; V57-E61 WeakPolarHBondContact CG1-OE1 3.47Å; V57-E61 WeakPolarHBondContact O-CG 3.45Å; V57-E61 PolarHBondContact O-N 3.45Å |
| 58 | G | 97.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 109.4 Ų | 109.4 | 32% | 0.32 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -36.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K54 L55 Q62 | K54-G58 PolarHBondContact O-N 3.47Å; L55-G58 PolarHBondContact O-N 3.46Å; G58-Q62 WeakPolarHBondContact O-CB 3.35Å; G58-Q62 PolarHBondContact O-N 3.01Å |
| 59 | W | 98.1 | Very high | 95.9 | Very high | 186 Ų | 186 | 108.9 Ų | 108.9 | 71% | 0.705 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66 | -40.2 | 173.6 | -85.7 | 65.9 | 0 | 0 | 0 | 112.4 | L55 R56 V57 Q62 L63 | L55-W59 WeakPolarHBondContact O-CB 3.38Å; L55-W59 PolarHBondContact O-N 3.43Å; R56-W59 PolarHBondContact O-N 3.1Å; V57-W59 VanDerWaalsContact C-N 3.3Å; V57-W59 PolarHBondContact O-N 3.46Å; W59-Q62 PolarHBondContact O-N 3.26Å; W59-L63 WeakPolarHBondContact O-CB 3.44Å; W59-L63 WeakPolarHBondContact O-CG 2.8Å; W59-L63 PolarHBondContact O-N 2.87Å |
| 60 | A | 97.7 | Very high | 95.5 | Very high | 58 Ų | 58 | 105.5 Ų | 105.5 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R56 V57 Q62 L63 E64 | R56-A60 WeakPolarHBondContact O-CB 3.4Å; R56-A60 PolarHBondContact O-N 3.33Å; V57-A60 WeakPolarHBondContact O-CB 3.46Å; V57-A60 PolarHBondContact O-N 3.02Å; V57-A60 VanDerWaalsContact O-N 3.07Å; A60-Q62 PolarHBondContact O-N 3.14Å; A60-L63 PolarHBondContact O-N 3.14Å; A60-E64 WeakPolarHBondContact O-CB 3.22Å; A60-E64 PolarHBondContact O-N 3.49Å |
| 61 | E | 97.9 | Very high | 94.9 | Very high | 124 Ų | 124 | 111 Ų | 111 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60 | -44.4 | 176.7 | -69.9 | 171.9 | 178.2 | 0 | 0 | 111.8 | V57 L63 E64 G65 | V57-E61 WeakPolarHBondContact CG1-OE1 3.47Å; V57-E61 WeakPolarHBondContact O-CG 3.45Å; V57-E61 PolarHBondContact O-N 3.45Å; E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 3.1Å; E61-E64 PolarHBondContact O-N 3Å; E61-G65 PolarHBondContact O-N 3.26Å |
| 62 | Q | 97.6 | Very high | 93.7 | Very high | 133 Ų | 133 | 109.6 Ų | 109.6 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 178.1 | -175 | 70.6 | -20.7 | 0 | 0 | 112 | G58 W59 A60 G65 R66 | G58-Q62 WeakPolarHBondContact O-CB 3.35Å; G58-Q62 PolarHBondContact O-N 3.01Å; W59-Q62 PolarHBondContact O-N 3.26Å; A60-Q62 PolarHBondContact O-N 3.14Å; Q62-G65 PolarHBondContact O-N 3.27Å; Q62-R66 WeakPolarHBondContact O-CG 3.37Å; Q62-R66 PolarHBondContact O-N 2.74Å |
| 63 | L | 96.9 | Very high | 92.1 | Very high | 86 Ų | 86 | 111.9 Ų | 111.9 | 45% | 0.45 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.1 | -40.3 | 176.1 | -74.2 | 174.2 | 0 | 0 | 0 | 111.8 | W59 A60 E61 G65 R66 N67 | W59-L63 WeakPolarHBondContact O-CB 3.44Å; W59-L63 WeakPolarHBondContact O-CG 2.8Å; W59-L63 PolarHBondContact O-N 2.87Å; A60-L63 PolarHBondContact O-N 3.14Å; E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 3.1Å; L63-G65 VanDerWaalsContact C-N 3.35Å; L63-R66 PolarHBondContact O-N 3.4Å; L63-N67 WeakPolarHBondContact O-CB 3.34Å; L63-N67 PolarHBondContact O-N 3.39Å |
| 64 | E | 96.3 | Very high | 90.4 | Very high | 103 Ų | 103 | 109.9 Ų | 109.9 | 48% | 0.481 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62 | -43.8 | 175.2 | -167.5 | -174.4 | 168.9 | 0 | 0 | 111.3 | A60 E61 R66 N67 K68 | A60-E64 WeakPolarHBondContact O-CB 3.22Å; A60-E64 PolarHBondContact O-N 3.49Å; E61-E64 PolarHBondContact O-N 3Å; E64-R66 PolarHBondContact O-N 3.15Å; E64-N67 PolarHBondContact O-N 3.42Å; E64-K68 HydrophobicContact CG-CD 4.41Å; E64-K68 WeakPolarHBondContact O-CG 3.24Å; E64-K68 PolarHBondContact O-N 3.39Å; E64-K68 WeakPolarHBondContact OE1-CE 3.14Å; E64-K68 IonicContact OE1-NZ 2.68Å; E64-K68 PolarHBondContact OE1-NZ 2.99Å |
| 65 | G | 95.1 | Very high | 88.1 | Confident | 31 Ų | 31 | 113.4 Ų | 113.4 | 32% | 0.32 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -57.8 | -47.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E61 Q62 L63 K68 M69 | E61-G65 PolarHBondContact O-N 3.26Å; Q62-G65 PolarHBondContact O-N 3.27Å; L63-G65 VanDerWaalsContact C-N 3.35Å; G65-K68 PolarHBondContact O-N 3.48Å; G65-M69 WeakPolarHBondContact O-CG 3.37Å; G65-M69 PolarHBondContact O-N 3.21Å; G65-M69 VanDerWaalsContact O-N 3.1Å |
| 66 | R | 95.4 | Very high | 85.7 | Confident | 151 Ų | 151 | 113.4 Ų | 113.4 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.5 | -43.6 | 176 | -71.2 | 177.1 | 67.8 | -176 | 1.5 | 112.4 | Q62 L63 E64 K68 M69 L70 | Q62-R66 WeakPolarHBondContact O-CG 3.37Å; Q62-R66 PolarHBondContact O-N 2.74Å; L63-R66 PolarHBondContact O-N 3.4Å; E64-R66 PolarHBondContact O-N 3.15Å; R66-K68 VanDerWaalsContact C-N 3.33Å; R66-K68 PolarHBondContact O-N 3.47Å; R66-M69 PolarHBondContact O-N 2.91Å; R66-L70 WeakPolarHBondContact O-CG 3.44Å; R66-L70 PolarHBondContact O-N 3.48Å |
| 67 | N | 94.9 | Very high | 83.6 | Confident | 90 Ų | 90 | 111.8 Ų | 111.8 | 48% | 0.481 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63 | -39.7 | 178 | -82.6 | -7.9 | 0 | 0 | 0 | 112 | L63 E64 M69 L70 Q71 | L63-N67 WeakPolarHBondContact O-CB 3.34Å; L63-N67 PolarHBondContact O-N 3.39Å; E64-N67 PolarHBondContact O-N 3.42Å; N67-M69 VanDerWaalsContact C-N 3.35Å; N67-L70 PolarHBondContact O-N 3.11Å; N67-Q71 WeakPolarHBondContact O-CB 3.43Å; N67-Q71 WeakPolarHBondContact O-CG 3.47Å; N67-Q71 PolarHBondContact O-N 3.34Å |
| 68 | K | 93.6 | Very high | 81.5 | Confident | 128 Ų | 128 | 116.2 Ų | 116.2 | 56% | 0.557 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.1 | -40.1 | 174.9 | -73.8 | 172 | -179.1 | 166.2 | 0 | 112 | E64 G65 R66 Q71 G72 | E64-K68 HydrophobicContact CG-CD 4.41Å; E64-K68 WeakPolarHBondContact O-CG 3.24Å; E64-K68 PolarHBondContact O-N 3.39Å; E64-K68 WeakPolarHBondContact OE1-CE 3.14Å; E64-K68 IonicContact OE1-NZ 2.68Å; E64-K68 PolarHBondContact OE1-NZ 2.99Å; G65-K68 PolarHBondContact O-N 3.48Å; R66-K68 VanDerWaalsContact C-N 3.33Å; R66-K68 PolarHBondContact O-N 3.47Å; K68-Q71 PolarHBondContact O-N 3.15Å; K68-G72 PolarHBondContact O-N 3.39Å |
| 69 | M | 89 | Confident | 78.8 | Confident | 160 Ų | 160 | 117.6 Ų | 117.6 | 79% | 0.788 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.5 | -38.9 | 176 | -70 | -179.6 | 71.1 | 0 | 0 | 112.6 | G65 R66 N67 | G65-M69 WeakPolarHBondContact O-CG 3.37Å; G65-M69 PolarHBondContact O-N 3.21Å; G65-M69 VanDerWaalsContact O-N 3.1Å; R66-M69 PolarHBondContact O-N 2.91Å; N67-M69 VanDerWaalsContact C-N 3.35Å |
| 70 | L | 87.8 | Confident | 76.3 | Confident | 139 Ų | 139 | 115.1 Ų | 115.1 | 73% | 0.728 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.5 | -27.7 | 178 | -68 | 172.1 | 0 | 0 | 0 | 113.2 | R66 N67 | R66-L70 WeakPolarHBondContact O-CG 3.44Å; R66-L70 PolarHBondContact O-N 3.48Å; N67-L70 PolarHBondContact O-N 3.11Å |
| 71 | Q | 82.9 | Confident | 73.8 | Confident | 169 Ų | 169 | 118.3 Ų | 118.3 | 79% | 0.79 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -92.3 | -9.5 | 176.9 | -69.8 | -164.6 | 76.1 | 0 | 0 | 113.9 | N67 K68 | N67-Q71 WeakPolarHBondContact O-CB 3.43Å; N67-Q71 WeakPolarHBondContact O-CG 3.47Å; N67-Q71 PolarHBondContact O-N 3.34Å; K68-Q71 PolarHBondContact O-N 3.15Å |
| 72 | G | 69.9 | Low | 71.9 | Confident | 29 Ų | 29 | 120.6 Ų | 120.6 | 30% | 0.299 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -58.7 | 153.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K68 G74 | K68-G72 PolarHBondContact O-N 3.39Å; G72-G74 PolarHBondContact O-N 2.73Å |
| 73 | P | 62.6 | Low | 69.5 | Low | 127 Ų | 127 | 120.8 Ų | 120.8 | 83% | 0.825 | 67% | 0.672 | S | S | * | * | trans | -55.4 | 115 | -179 | 23.2 | -30.9 | 0 | 0 | 0 | 107.5 | R75 | P73-R75 VanDerWaalsContact C-N 3.3Å; P73-R75 PolarHBondContact O-N 2.93Å | ||
| 74 | G | 57.7 | Low | 67.4 | Low | 69 Ų | 69 | 120.1 Ų | 120.1 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | trans | -54.2 | 103 | 172 | 0 | 0 | 0 | 0 | 0 | 106.5 | G72 C76 | G72-G74 PolarHBondContact O-N 2.73Å; G74-C76 PolarHBondContact O-N 2.85Å | ||
| 75 | R | 47.1 | Very low | 65.5 | Low | 241 Ų | 241 | 123.3 Ų | 123.3 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | trans | -68 | 86.8 | 157.6 | -80.9 | -162.3 | -103.6 | -113.1 | 2.5 | 104.7 | P73 P77 | P73-R75 VanDerWaalsContact C-N 3.3Å; P73-R75 PolarHBondContact O-N 2.93Å; R75-P77 VanDerWaalsContact O-CD 3.25Å; R75-P77 WeakPolarHBondContact O-CD 3.48Å | ||
| 76 | C | 47.9 | Very low | 63.3 | Low | 100 Ų | 100 | 126.8 Ų | 126.8 | 68% | 0.676 | 71% | 0.711 | S | S | * | * | trans | -53.8 | 117.4 | 143.7 | -62.9 | 0 | 0 | 0 | 0 | 105.1 | G74 D78 | G74-C76 PolarHBondContact O-N 2.85Å; C76-D78 PolarHBondContact O-N 3.13Å | ||
| 77 | P | 52.8 | Low | 61.3 | Low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | trans | -67.8 | 89.9 | 157.1 | 25.8 | -21.4 | 0 | 0 | 0 | 105.7 | R75 G79 | R75-P77 VanDerWaalsContact O-CD 3.25Å; R75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-G79 PolarHBondContact O-N 2.78Å | ||
| 78 | D | 53.3 | Low | 59.4 | Low | 162 Ų | 162 | 130.9 Ų | 130.9 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | trans | -58.7 | 119.8 | 155.4 | -91.2 | -21.9 | 0 | 0 | 0 | 106.7 | C76 | C76-D78 PolarHBondContact O-N 3.13Š| ||
| 79 | G | 40.3 | Very low | 57.6 | Low | 59 Ų | 59 | 130.2 Ų | 130.2 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | trans | 124.5 | 82.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P77 P81 | P77-G79 PolarHBondContact O-N 2.78Å; G79-P81 VanDerWaalsContact O-CD 3.29Å; G79-P81 WeakPolarHBondContact O-CD 3.49Å | ||
| 80 | V | 46 | Very low | 56.1 | Low | 134 Ų | 134 | 130.2 Ų | 130.2 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | -66.7 | 122.2 | 150.2 | 173.9 | 0 | 0 | 0 | 0 | 106.9 | E82 | V80-E82 HydrophobicContact CG1-CB 4.34Š| ||
| 81 | P | 44.7 | Very low | 54.5 | Low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -91.3 | 97.5 | 146.6 | 9.3 | 11.3 | 0 | 0 | 0 | 106.4 | G79 V83 | G79-P81 VanDerWaalsContact O-CD 3.29Å; G79-P81 WeakPolarHBondContact O-CD 3.49Å; P81-V83 PolarHBondContact O-N 3.33Å | ||
| 82 | E | 58.5 | Low | 53.6 | Low | 173 Ų | 173 | 131.7 Ų | 131.7 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | -49.1 | 113.1 | 149.9 | 174.4 | -175.8 | 167.1 | 0 | 0 | 107.3 | V80 | V80-E82 HydrophobicContact CG1-CB 4.34Š| ||
| 83 | V | 45.9 | Very low | 53 | Low | 136 Ų | 136 | 139.5 Ų | 139.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -166.3 | 126.4 | 138.1 | 162 | 0 | 0 | 0 | 0 | 107.4 | P81 | P81-V83 PolarHBondContact O-N 3.33Š| ||
| 84 | A | 54 | Low | 52.7 | Low | 72 Ų | 72 | 138 Ų | 138 | 60% | 0.595 | 78% | 0.776 | S | S | * | * | trans | -62.8 | 159.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 85 | E | 56.3 | Low | 52.6 | Low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | 167.6 | 157.2 | 123.2 | -87.6 | -43.5 | 106.3 | 0 | 0 | 110.7 | |||||
| 86 | P | 47.9 | Very low | 52.9 | Low | 104 Ų | 104 | 138.5 Ų | 138.5 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | trans | -105.2 | 166.5 | -135.7 | 1.6 | 23 | 0 | 0 | 0 | 113.9 | H88 | P86-H88 PolarHBondContact O-N 3.39Š| ||
| 87 | L | 53.8 | Low | 53.1 | Low | 177 Ų | 177 | 140.5 Ų | 140.5 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | trans | -28 | 124.9 | 165.5 | -68.7 | 156.4 | 0 | 0 | 0 | 114.5 | ||||
| 88 | H | 54.4 | Low | 53.2 | Low | 149 Ų | 149 | 141.4 Ų | 141.4 | 69% | 0.69 | 82% | 0.815 | S | S | * | * | trans | -128.3 | 97.9 | 155.6 | -165.9 | -0.4 | 0 | 0 | 0 | 110.5 | P86 K90 | P86-H88 PolarHBondContact O-N 3.39Å; H88-K90 PolarHBondContact O-N 2.97Å | ||
| 89 | T | 56.5 | Low | 53.2 | Low | 115 Ų | 115 | 140.2 Ų | 140.2 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -61.7 | 120.7 | 158.9 | 12.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 90 | K | 57.8 | Low | 54 | Low | 160 Ų | 160 | 145.3 Ų | 145.3 | 70% | 0.696 | 83% | 0.825 | S | S | * | * | trans | -107.5 | 92.3 | 162.6 | -93.1 | 179.5 | 175.4 | 169.6 | 0 | 108.4 | H88 K92 | H88-K90 PolarHBondContact O-N 2.97Å; K90-K92 PolarHBondContact O-N 2.94Å | ||
| 91 | D | 54.3 | Low | 54.5 | Low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -57.1 | 119.9 | 153.2 | -68.7 | -42.7 | 0 | 0 | 0 | 107.8 | ||||
| 92 | K | 63.3 | Low | 55.2 | Low | 191 Ų | 191 | 147.5 Ų | 147.5 | 83% | 0.83 | 83% | 0.827 | S | S | * | * | trans | -111.4 | 98 | 164.2 | -84.4 | -170.4 | 171.5 | -175.1 | 0 | 107.6 | K90 | K90-K92 PolarHBondContact O-N 2.94Š| ||
| 93 | M | 56.7 | Low | 54.9 | Low | 193 Ų | 193 | 145.5 Ų | 145.5 | 95% | 0.951 | 83% | 0.828 | S | S | * | * | trans | -59 | 135.1 | 154.9 | -64.4 | -176.9 | -160.1 | 0 | 0 | 108.5 | ||||
| 94 | A | 58.1 | Low | 55.7 | Low | 97 Ų | 97 | 146.3 Ų | 146.3 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | trans | -137.1 | 110.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 95 | A | 54.9 | Low | 55.8 | Low | 180 Ų | 180 | 153.1 Ų | 153.1 | 100% | 1.488 | 85% | 0.85 | S | S | * | * | trans | 31.2 | 0 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.8 |
Retrieved 95 of 95 residues in 557.6 ms
(Link to these results)