| 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 | 62.5 | Low | 73.4 | Confident | 195 Ų | 195 | 116 Ų | 116 | 96% | 0.961 | 59% | 0.585 | S | S | * | * | 0 | -38.6 | 0 | -64.9 | -55.1 | -106.6 | 0 | 0 | 113.2 | N5 | M1-N5 PolarHBondContact O-N 3Š| |||
| 2 | T | 77.9 | Confident | 72.5 | Confident | 101 Ų | 101 | 111.7 Ų | 111.7 | 62% | 0.62 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.8 | -39.1 | -177.3 | -41.2 | 0 | 0 | 0 | 0 | 115 | N5 R6 | T2-N5 PolarHBondContact O-N 3.12Å; T2-R6 PolarHBondContact O-N 3.19Å |
| 3 | E | 76.2 | Confident | 71.4 | Confident | 113 Ų | 113 | 113.8 Ų | 113.8 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.9 | -37.4 | 179.2 | -80.6 | -60.8 | 125 | 0 | 0 | 113.1 | N5 R6 L7 | E3-N5 VanDerWaalsContact C-N 3.33Å; E3-N5 PolarHBondContact O-N 3.25Å; E3-R6 WeakPolarHBondContact O-CB 3.38Å; E3-R6 PolarHBondContact O-N 2.81Å; E3-R6 VanDerWaalsContact O-N 3.1Å; E3-R6 IonicContact OE1-CZ 3.83Å; E3-R6 IonicContact OE1-NH1 2.91Å; E3-R6 PolarHBondContact OE1-NH1 3.12Å; E3-L7 PolarHBondContact O-N 2.78Å; E3-L7 VanDerWaalsContact O-N 3.15Å |
| 4 | L | 75.3 | Confident | 70.3 | Confident | 119 Ų | 119 | 120.4 Ų | 120.4 | 62% | 0.623 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.6 | -38.2 | 176.9 | -150.7 | 84.9 | 0 | 0 | 0 | 111.8 | R6 L7 T8 | L4-R6 VanDerWaalsContact C-N 3.3Å; L4-R6 PolarHBondContact O-N 3.41Å; L4-L7 PolarHBondContact O-N 3.26Å; L4-T8 WeakPolarHBondContact O-CG2 3.27Å; L4-T8 PolarHBondContact O-N 3.15Å; L4-T8 PolarHBondContact O-OG1 3.26Å; L4-T8 VanDerWaalsContact O-OG1 3.06Å |
| 5 | N | 74.8 | Confident | 69.2 | Low | 97 Ų | 97 | 122.2 Ų | 122.2 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.2 | -26.2 | 174.5 | -75.3 | -16.4 | 0 | 0 | 0 | 112.6 | M1 T2 E3 T8 N9 | M1-N5 PolarHBondContact O-N 3Å; T2-N5 PolarHBondContact O-N 3.12Å; E3-N5 VanDerWaalsContact C-N 3.33Å; E3-N5 PolarHBondContact O-N 3.25Å; N5-T8 WeakPolarHBondContact CA-OG1 3.5Å; N5-T8 PolarHBondContact O-OG1 2.9Å; N5-T8 VanDerWaalsContact O-OG1 3.13Å; N5-N9 VanDerWaalsContact O-CB 3.29Å; N5-N9 WeakPolarHBondContact O-CB 3.47Å; N5-N9 VanDerWaalsContact O-CG 3.25Å; N5-N9 PolarHBondContact O-N 3.48Å; N5-N9 PolarHBondContact O-ND2 3.26Å |
| 6 | R | 74.9 | Confident | 68.1 | Low | 149 Ų | 149 | 125.5 Ų | 125.5 | 56% | 0.562 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.4 | -43.6 | 174.5 | -79.3 | 178.6 | 174.8 | 165.7 | -5.7 | 111.7 | T2 E3 L4 N9 L10 | T2-R6 PolarHBondContact O-N 3.19Å; E3-R6 WeakPolarHBondContact O-CB 3.38Å; E3-R6 PolarHBondContact O-N 2.81Å; E3-R6 VanDerWaalsContact O-N 3.1Å; E3-R6 IonicContact OE1-CZ 3.83Å; E3-R6 IonicContact OE1-NH1 2.91Å; E3-R6 PolarHBondContact OE1-NH1 3.12Å; L4-R6 VanDerWaalsContact C-N 3.3Å; L4-R6 PolarHBondContact O-N 3.41Å; R6-N9 PolarHBondContact O-N 3.46Å; R6-L10 VanDerWaalsContact O-CG 3.29Å; R6-L10 WeakPolarHBondContact O-CG 3.27Å; R6-L10 PolarHBondContact O-N 2.9Å |
| 7 | L | 77.6 | Confident | 67 | Low | 99 Ų | 99 | 125.8 Ų | 125.8 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.5 | -46.7 | 179.1 | -64.2 | 176.7 | 0 | 0 | 0 | 111.6 | E3 L4 N9 L10 E11 | E3-L7 PolarHBondContact O-N 2.78Å; E3-L7 VanDerWaalsContact O-N 3.15Å; L4-L7 PolarHBondContact O-N 3.26Å; L7-N9 VanDerWaalsContact C-N 3.33Å; L7-N9 PolarHBondContact O-N 3.43Å; L7-L10 PolarHBondContact O-N 2.89Å; L7-L10 VanDerWaalsContact O-N 3.12Å; L7-E11 WeakPolarHBondContact O-CG 3.5Å; L7-E11 PolarHBondContact O-N 3.29Å |
| 8 | T | 77.1 | Confident | 65.9 | Low | 63 Ų | 63 | 124.3 Ų | 124.3 | 39% | 0.387 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.5 | -37.2 | 177.2 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | L4 N5 T12 | L4-T8 WeakPolarHBondContact O-CG2 3.27Å; L4-T8 PolarHBondContact O-N 3.15Å; L4-T8 PolarHBondContact O-OG1 3.26Å; L4-T8 VanDerWaalsContact O-OG1 3.06Å; N5-T8 WeakPolarHBondContact CA-OG1 3.5Å; N5-T8 PolarHBondContact O-OG1 2.9Å; N5-T8 VanDerWaalsContact O-OG1 3.13Å; T8-T12 PolarHBondContact O-N 3.42Å; T8-T12 PolarHBondContact O-OG1 2.96Å |
| 9 | N | 72.2 | Confident | 65.3 | Low | 102 Ų | 102 | 126.7 Ų | 126.7 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.5 | -32.6 | 174.2 | -80.7 | -46.2 | 0 | 0 | 0 | 113 | N5 R6 L7 T12 K13 | N5-N9 VanDerWaalsContact O-CB 3.29Å; N5-N9 WeakPolarHBondContact O-CB 3.47Å; N5-N9 VanDerWaalsContact O-CG 3.25Å; N5-N9 PolarHBondContact O-N 3.48Å; N5-N9 PolarHBondContact O-ND2 3.26Å; R6-N9 PolarHBondContact O-N 3.46Å; L7-N9 VanDerWaalsContact C-N 3.33Å; L7-N9 PolarHBondContact O-N 3.43Å; N9-T12 WeakPolarHBondContact CA-OG1 3.37Å; N9-T12 PolarHBondContact O-OG1 3.48Å; N9-K13 WeakPolarHBondContact O-CB 3.49Å; N9-K13 PolarHBondContact O-N 3.29Å |
| 10 | L | 71.9 | Confident | 65.2 | Low | 103 Ų | 103 | 129.2 Ų | 129.2 | 54% | 0.539 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -72.3 | -39 | 175.1 | -72.2 | 170.2 | 0 | 0 | 0 | 111.9 | R6 L7 K13 R14 | R6-L10 VanDerWaalsContact O-CG 3.29Å; R6-L10 WeakPolarHBondContact O-CG 3.27Å; R6-L10 PolarHBondContact O-N 2.9Å; L7-L10 PolarHBondContact O-N 2.89Å; L7-L10 VanDerWaalsContact O-N 3.12Å; L10-K13 PolarHBondContact O-N 3.32Å; L10-R14 WeakPolarHBondContact O-CB 3.4Å; L10-R14 VanDerWaalsContact O-CG 3.32Å; L10-R14 WeakPolarHBondContact O-CG 3.43Å; L10-R14 PolarHBondContact O-N 2.69Å |
| 11 | E | 67.2 | Low | 65.7 | Low | 135 Ų | 135 | 131 Ų | 131 | 63% | 0.631 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.3 | -47 | 175.5 | -71.4 | -177.3 | 151.9 | 0 | 0 | 111.9 | L7 K13 R14 Q15 | L7-E11 WeakPolarHBondContact O-CG 3.5Å; L7-E11 PolarHBondContact O-N 3.29Å; E11-K13 VanDerWaalsContact C-N 3.35Å; E11-K13 PolarHBondContact O-N 2.72Å; E11-R14 PolarHBondContact O-N 3.36Å; E11-Q15 PolarHBondContact O-N 3.41Å |
| 12 | T | 62.2 | Low | 67 | Low | 64 Ų | 64 | 123.4 Ų | 123.4 | 39% | 0.393 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.4 | -34.4 | 176 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | T8 N9 Q15 K16 | T8-T12 PolarHBondContact O-N 3.42Å; T8-T12 PolarHBondContact O-OG1 2.96Å; N9-T12 WeakPolarHBondContact CA-OG1 3.37Å; N9-T12 PolarHBondContact O-OG1 3.48Å; T12-Q15 PolarHBondContact O-N 2.9Å; T12-K16 WeakPolarHBondContact O-CG 3.35Å; T12-K16 PolarHBondContact O-N 3.38Å |
| 13 | K | 58.1 | Low | 67.9 | Low | 140 Ų | 140 | 121.5 Ų | 121.5 | 61% | 0.609 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.9 | -35.7 | 173.8 | -167.4 | 174.9 | -176.3 | -179.1 | 0 | 112.3 | N9 L10 E11 K16 N17 | N9-K13 WeakPolarHBondContact O-CB 3.49Å; N9-K13 PolarHBondContact O-N 3.29Å; L10-K13 PolarHBondContact O-N 3.32Å; E11-K13 VanDerWaalsContact C-N 3.35Å; E11-K13 PolarHBondContact O-N 2.72Å; K13-K16 PolarHBondContact O-N 3.03Å; K13-N17 PolarHBondContact O-N 2.83Å |
| 14 | R | 56 | Low | 68.7 | Low | 206 Ų | 206 | 120.8 Ų | 120.8 | 78% | 0.777 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.3 | -39.4 | 172 | -78.9 | 177.6 | 71.3 | 171.4 | 1.7 | 111.8 | L10 E11 N17 C18 | L10-R14 WeakPolarHBondContact O-CB 3.4Å; L10-R14 VanDerWaalsContact O-CG 3.32Å; L10-R14 WeakPolarHBondContact O-CG 3.43Å; L10-R14 PolarHBondContact O-N 2.69Å; E11-R14 PolarHBondContact O-N 3.36Å; R14-N17 PolarHBondContact O-N 2.96Å; R14-C18 PolarHBondContact O-N 3.44Å |
| 15 | Q | 54.3 | Low | 69.6 | Low | 147 Ų | 147 | 117.9 Ų | 117.9 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.1 | -42.7 | 172.8 | -89.9 | 175.7 | -11.3 | 0 | 0 | 112.4 | E11 T12 N17 C18 | E11-Q15 PolarHBondContact O-N 3.41Å; T12-Q15 PolarHBondContact O-N 2.9Å; Q15-N17 VanDerWaalsContact C-N 3.26Å; Q15-N17 PolarHBondContact O-N 3.18Å; Q15-C18 WeakPolarHBondContact O-CB 3.43Å; Q15-C18 PolarHBondContact O-N 3.04Å; Q15-C18 VanDerWaalsContact O-N 3.12Å |
| 16 | K | 51.2 | Low | 70.6 | Confident | 175 Ų | 175 | 119.8 Ų | 119.8 | 76% | 0.761 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.6 | -25.8 | 178.3 | -77.9 | 178.7 | 177 | 179.6 | 0 | 114.2 | T12 K13 | T12-K16 WeakPolarHBondContact O-CG 3.35Å; T12-K16 PolarHBondContact O-N 3.38Å; K13-K16 PolarHBondContact O-N 3.03Å |
| 17 | N | 49.6 | Very low | 71.6 | Confident | 131 Ų | 131 | 113.9 Ų | 113.9 | 70% | 0.701 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -7.6 | 175.8 | -80.1 | 5.1 | 0 | 0 | 0 | 113.5 | K13 R14 Q15 Q19 | K13-N17 PolarHBondContact O-N 2.83Å; R14-N17 PolarHBondContact O-N 2.96Å; Q15-N17 VanDerWaalsContact C-N 3.26Å; Q15-N17 PolarHBondContact O-N 3.18Å; N17-Q19 PolarHBondContact O-N 3.39Å |
| 18 | C | 47.2 | Very low | 72.5 | Confident | 99 Ų | 99 | 114.9 Ų | 114.9 | 67% | 0.669 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -80.9 | 74.9 | 166.2 | -147.2 | 0 | 0 | 0 | 0 | 106.9 | R14 Q15 E20 | R14-C18 PolarHBondContact O-N 3.44Å; Q15-C18 WeakPolarHBondContact O-CB 3.43Å; Q15-C18 PolarHBondContact O-N 3.04Å; Q15-C18 VanDerWaalsContact O-N 3.12Å; C18-E20 PolarHBondContact O-N 3.3Å |
| 19 | Q | 54.9 | Low | 73.4 | Confident | 170 Ų | 170 | 118 Ų | 118 | 79% | 0.794 | 56% | 0.559 | S | S | * | * | trans | -59.2 | 105.5 | 174.5 | -167.7 | 173.4 | -17.6 | 0 | 0 | 106.5 | N17 E21 | N17-Q19 PolarHBondContact O-N 3.39Å; Q19-E21 PolarHBondContact O-N 3.27Å | ||
| 20 | E | 63.3 | Low | 74.6 | Confident | 175 Ų | 175 | 117 Ų | 117 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | trans | -56.1 | 112.6 | 174.6 | -73.1 | -174.5 | 156.8 | 0 | 0 | 107.3 | C18 S22 | C18-E20 PolarHBondContact O-N 3.3Å; E20-S22 WeakPolarHBondContact O-CB 3.43Å; E20-S22 PolarHBondContact O-N 3.04Å | ||
| 21 | E | 75.5 | Confident | 75.8 | Confident | 168 Ų | 168 | 113.7 Ų | 113.7 | 79% | 0.785 | 54% | 0.54 | S | S | * | . | trans | -53.8 | 108.2 | 173.2 | -75.9 | -67.7 | 153.3 | 0 | 0 | 107.4 | Q19 | Q19-E21 PolarHBondContact O-N 3.27Š| ||
| 22 | S | 90.8 | Very high | 77.2 | Confident | 35 Ų | 35 | 110 Ų | 110 | 25% | 0.245 | 52% | 0.521 | C | S | . | . | trans | -117.6 | 137.3 | -170.4 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | E20 K24 N49 | E20-S22 WeakPolarHBondContact O-CB 3.43Å; E20-S22 PolarHBondContact O-N 3.04Å; S22-K24 PolarHBondContact O-N 2.78Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 WeakPolarHBondContact OG-CD 3.49Å; S22-K24 WeakPolarHBondContact OG-CG 3.34Å; S22-K24 PolarHBondContact OG-N 3.47Å; S22-N49 PolarHBondContact OG-OD1 2.89Å | ||
| 23 | F | 94.8 | Very high | 78.9 | Confident | 62 Ų | 62 | 115.4 Ų | 115.4 | 27% | 0.272 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -5.3 | 177.2 | -67.3 | -73.8 | 0 | 0 | 0 | 113.5 | S25 Y26 I27 N49 A52 N53 L56 | F23-S25 VanDerWaalsContact C-N 3.3Å; F23-S25 PolarHBondContact O-N 3.32Å; F23-Y26 HydrophobicContact CD1-CD2 4.47Å; F23-Y26 PolarHBondContact O-N 2.97Å; F23-I27 HydrophobicContact CB-CD1 3.78Å; F23-I27 HydrophobicContact CB-CG1 4.22Å; F23-I27 WeakPolarHBondContact O-CD1 3.47Å; F23-I27 VanDerWaalsContact O-CG1 3.28Å; F23-I27 WeakPolarHBondContact O-CG1 3.46Å; F23-I27 PolarHBondContact O-N 3.27Å; F23-N49 PolarHBondContact N-OD1 3.38Å; F23-A52 HydrophobicContact CB-CB 3.91Å; F23-A52 HydrophobicContact CD1-CB 4.32Å; F23-A52 HydrophobicContact CD2-CB 3.51Å; F23-A52 HydrophobicContact CE2-CB 4.09Å; F23-A52 HydrophobicContact CG-CB 3.63Å; F23-N53 WeakPolarHBondContact CE2-OD1 3.46Å; F23-L56 HydrophobicContact CZ-CD2 4.08Å |
| 24 | K | 94.2 | Very high | 80.7 | Confident | 97 Ų | 97 | 114.4 Ų | 114.4 | 42% | 0.422 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -51.9 | -43.2 | -174 | -70.7 | 173.8 | -176.9 | 177.8 | 0 | 113.8 | S22 Y28 M45 N49 | S22-K24 PolarHBondContact O-N 2.78Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 WeakPolarHBondContact OG-CD 3.49Å; S22-K24 WeakPolarHBondContact OG-CG 3.34Å; S22-K24 PolarHBondContact OG-N 3.47Å; K24-Y28 WeakPolarHBondContact O-CB 3.41Å; K24-Y28 PolarHBondContact O-N 3.08Å; K24-M45 HydrophobicContact CB-CG 4.21Å; K24-M45 HydrophobicContact CB-SD 3.83Å; K24-M45 HydrophobicContact CD-CG 4.14Å; K24-M45 HydrophobicContact CG-CG 3.65Å; K24-M45 HydrophobicContact CG-SD 3.74Å; K24-N49 HydrophobicContact CG-CB 4.37Å |
| 25 | S | 93.9 | Very high | 82.7 | Confident | 59 Ų | 59 | 109.5 Ų | 109.5 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.2 | -37.9 | -179.8 | 72.3 | 0 | 0 | 0 | 0 | 112.1 | F23 K29 | F23-S25 VanDerWaalsContact C-N 3.3Å; F23-S25 PolarHBondContact O-N 3.32Å; S25-K29 WeakPolarHBondContact O-CB 3.32Å; S25-K29 VanDerWaalsContact O-CG 3.26Å; S25-K29 WeakPolarHBondContact O-CG 3.42Å; S25-K29 PolarHBondContact O-N 2.87Å |
| 26 | Y | 95.6 | Very high | 84.7 | Confident | 136 Ų | 136 | 106.8 Ų | 106.8 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.1 | -44 | 177.8 | -59.8 | -82.5 | 0 | 0 | 0 | 111.5 | F23 Y28 K29 V30 | F23-Y26 HydrophobicContact CD1-CD2 4.47Å; F23-Y26 PolarHBondContact O-N 2.97Å; Y26-Y28 VanDerWaalsContact C-N 3.28Å; Y26-Y28 PolarHBondContact O-N 3.38Å; Y26-K29 PolarHBondContact O-N 3.49Å; Y26-V30 WeakPolarHBondContact O-CG2 3.48Å; Y26-V30 PolarHBondContact O-N 3.42Å |
| 27 | I | 96.1 | Very high | 86.9 | Confident | 25 Ų | 25 | 105 Ų | 105 | 13% | 0.128 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -55.5 | -47.5 | 175.1 | -66.7 | 159.4 | 0 | 0 | 0 | 109.6 | F23 V30 L31 I40 M45 M48 N49 | F23-I27 HydrophobicContact CB-CD1 3.78Å; F23-I27 HydrophobicContact CB-CG1 4.22Å; F23-I27 WeakPolarHBondContact O-CD1 3.47Å; F23-I27 VanDerWaalsContact O-CG1 3.28Å; F23-I27 WeakPolarHBondContact O-CG1 3.46Å; F23-I27 PolarHBondContact O-N 3.27Å; I27-V30 PolarHBondContact O-N 2.9Å; I27-L31 WeakPolarHBondContact O-CB 3.28Å; I27-L31 PolarHBondContact O-N 3.38Å; I27-I40 HydrophobicContact CG2-CD1 4.28Å; I27-M45 HydrophobicContact CB-CE 4.43Å; I27-M45 HydrophobicContact CB-SD 4.01Å; I27-M45 HydrophobicContact CD1-SD 4.18Å; I27-M45 HydrophobicContact CG2-CE 4.12Å; I27-M45 HydrophobicContact CG2-SD 3.84Å; I27-M48 HydrophobicContact CD1-CB 3.72Å; I27-M48 HydrophobicContact CG1-CB 4.37Å; I27-M48 HydrophobicContact CG2-CB 4.06Å; I27-M48 HydrophobicContact CG2-CG 4.46Å; I27-N49 HydrophobicContact CD1-CB 4.38Å |
| 28 | Y | 95.8 | Very high | 89.1 | Confident | 120 Ų | 120 | 101.6 Ų | 101.6 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 177.2 | -174.8 | -101 | 0 | 0 | 0 | 112.9 | K24 Y26 V30 L31 K32 I40 | K24-Y28 WeakPolarHBondContact O-CB 3.41Å; K24-Y28 PolarHBondContact O-N 3.08Å; Y26-Y28 VanDerWaalsContact C-N 3.28Å; Y26-Y28 PolarHBondContact O-N 3.38Å; Y28-V30 VanDerWaalsContact C-N 3.34Å; Y28-V30 PolarHBondContact O-N 2.95Å; Y28-L31 PolarHBondContact O-N 2.81Å; Y28-K32 HydrophobicContact CD1-CG 4.35Å; Y28-K32 HydrophobicContact CE1-CG 3.9Å; Y28-K32 HydrophobicContact CE2-CD 4.49Å; Y28-K32 HydrophobicContact CE2-CG 4.11Å; Y28-K32 PolarHBondContact O-N 3.43Å; Y28-K32 VanDerWaalsContact OH-CE 3.27Å; Y28-K32 WeakPolarHBondContact OH-CE 3.14Å; Y28-I40 HydrophobicContact CD2-CG2 4.49Å |
| 29 | K | 96.4 | Very high | 91.4 | Very high | 128 Ų | 128 | 104.9 Ų | 104.9 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.2 | -40.3 | 177.6 | -77 | 172.4 | -176.9 | 176 | 0 | 112.5 | S25 Y26 K33 | S25-K29 WeakPolarHBondContact O-CB 3.32Å; S25-K29 VanDerWaalsContact O-CG 3.26Å; S25-K29 WeakPolarHBondContact O-CG 3.42Å; S25-K29 PolarHBondContact O-N 2.87Å; Y26-K29 PolarHBondContact O-N 3.49Å; K29-K33 WeakPolarHBondContact O-CG 3.26Å; K29-K33 PolarHBondContact O-N 3.18Å |
| 30 | V | 97 | Very high | 93.3 | Very high | 82 Ų | 82 | 99.1 Ų | 99.1 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.6 | -43.7 | 177.9 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | Y26 I27 Y28 K32 K33 L34 | Y26-V30 WeakPolarHBondContact O-CG2 3.48Å; Y26-V30 PolarHBondContact O-N 3.42Å; I27-V30 PolarHBondContact O-N 2.9Å; Y28-V30 VanDerWaalsContact C-N 3.34Å; Y28-V30 PolarHBondContact O-N 2.95Å; V30-K32 PolarHBondContact O-N 3.3Å; V30-K33 WeakPolarHBondContact O-CB 3.32Å; V30-K33 PolarHBondContact O-N 3.45Å; V30-K33 VanDerWaalsContact O-N 3.12Å; V30-L34 HydrophobicContact CG1-CD1 4.1Å; V30-L34 PolarHBondContact O-N 3.33Å |
| 31 | L | 97.1 | Very high | 94.9 | Very high | 34 Ų | 34 | 93 Ų | 93 | 18% | 0.178 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -56.2 | -49.2 | 176.5 | 179.5 | 65.1 | 0 | 0 | 0 | 111.3 | I27 Y28 K33 L34 H35 V38 I40 | I27-L31 WeakPolarHBondContact O-CB 3.28Å; I27-L31 PolarHBondContact O-N 3.38Å; Y28-L31 PolarHBondContact O-N 2.81Å; L31-K33 PolarHBondContact O-N 3.19Å; L31-L34 PolarHBondContact O-N 2.96Å; L31-L34 VanDerWaalsContact O-N 3.12Å; L31-H35 CarbonylContact O-C 3.57Å; L31-H35 PolarHBondContact O-N 3Å; L31-V38 HydrophobicContact CD1-CG1 4.17Å; L31-I40 HydrophobicContact CD2-CB 3.71Å; L31-I40 HydrophobicContact CD2-CG2 3.69Å |
| 32 | K | 97 | Very high | 95.8 | Very high | 56 Ų | 56 | 90.4 Ų | 90.4 | 24% | 0.243 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.1 | -19.5 | 180 | -68.8 | -54.9 | -169.7 | -176 | 0 | 114.4 | Y28 V30 P36 V38 | Y28-K32 HydrophobicContact CD1-CG 4.35Å; Y28-K32 HydrophobicContact CE1-CG 3.9Å; Y28-K32 HydrophobicContact CE2-CD 4.49Å; Y28-K32 HydrophobicContact CE2-CG 4.11Å; Y28-K32 PolarHBondContact O-N 3.43Å; Y28-K32 VanDerWaalsContact OH-CE 3.27Å; Y28-K32 WeakPolarHBondContact OH-CE 3.14Å; V30-K32 PolarHBondContact O-N 3.3Å; K32-P36 PolarHBondContact NZ-O 2.95Å; K32-V38 PolarHBondContact NZ-O 3.27Å |
| 33 | K | 97.3 | Very high | 96.1 | Very high | 178 Ų | 178 | 96 Ų | 96 | 77% | 0.774 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -76.4 | -34 | 171.1 | -77.1 | 178.8 | 176.1 | -172.4 | 0 | 112.8 | K29 V30 L31 | K29-K33 WeakPolarHBondContact O-CG 3.26Å; K29-K33 PolarHBondContact O-N 3.18Å; V30-K33 WeakPolarHBondContact O-CB 3.32Å; V30-K33 PolarHBondContact O-N 3.45Å; V30-K33 VanDerWaalsContact O-N 3.12Å; L31-K33 PolarHBondContact O-N 3.19Å |
| 34 | L | 97.4 | Very high | 96.2 | Very high | 120 Ų | 120 | 95 Ų | 95 | 63% | 0.628 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -91.1 | -40.9 | -177.2 | -66.9 | 172.6 | 0 | 0 | 0 | 112.6 | V30 L31 | V30-L34 HydrophobicContact CG1-CD1 4.1Å; V30-L34 PolarHBondContact O-N 3.33Å; L31-L34 PolarHBondContact O-N 2.96Å; L31-L34 VanDerWaalsContact O-N 3.12Å |
| 35 | H | 97 | Very high | 96.3 | Very high | 102 Ų | 102 | 91.6 Ų | 91.6 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | trans | -139.2 | 86.1 | -176.6 | -62.5 | -69.5 | 0 | 0 | 0 | 110.2 | L31 D37 V38 | L31-H35 CarbonylContact O-C 3.57Å; L31-H35 PolarHBondContact O-N 3Å; H35-D37 PolarHBondContact O-N 3.26Å; H35-V38 HydrophobicContact CB-CB 3.77Å; H35-V38 HydrophobicContact CB-CG2 3.62Å; H35-V38 PolarHBondContact O-N 3.38Å | ||
| 36 | P | 96.7 | Very high | 96.4 | Very high | 91 Ų | 91 | 91.4 Ų | 91.4 | 59% | 0.591 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.1 | -176.5 | -24.3 | 34.6 | 0 | 0 | 0 | 114 | K32 | K32-P36 PolarHBondContact NZ-O 2.95Š|
| 37 | D | 97.2 | Very high | 96.4 | Very high | 137 Ų | 137 | 89 Ų | 89 | 73% | 0.733 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.7 | -177.6 | 60.2 | -43.5 | 0 | 0 | 0 | 114.1 | H35 | H35-D37 PolarHBondContact O-N 3.26Š|
| 38 | V | 96.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 91.7 Ų | 91.7 | 36% | 0.358 | 48% | 0.483 | S | S | . | . | trans | -88.7 | 138.3 | -179 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | L31 K32 H35 | L31-V38 HydrophobicContact CD1-CG1 4.17Å; K32-V38 PolarHBondContact NZ-O 3.27Å; H35-V38 HydrophobicContact CB-CB 3.77Å; H35-V38 HydrophobicContact CB-CG2 3.62Å; H35-V38 PolarHBondContact O-N 3.38Å | ||
| 39 | E | 94.8 | Very high | 96.5 | Very high | 168 Ų | 168 | 87 Ų | 87 | 79% | 0.785 | 47% | 0.466 | S | S | * | . | trans | -110.9 | 155.4 | 171.5 | -62.8 | -171.7 | 169.3 | 0 | 0 | 111.1 | ||||
| 40 | I | 95.8 | Very high | 96.5 | Very high | 49 Ų | 49 | 84.7 Ų | 84.7 | 25% | 0.251 | 47% | 0.466 | S | S | . | . | trans | -120 | 124.2 | 179.9 | -174.4 | 169.1 | 0 | 0 | 0 | 109.9 | I27 Y28 L31 A44 M45 M48 | I27-I40 HydrophobicContact CG2-CD1 4.28Å; Y28-I40 HydrophobicContact CD2-CG2 4.49Å; L31-I40 HydrophobicContact CD2-CB 3.71Å; L31-I40 HydrophobicContact CD2-CG2 3.69Å; I40-A44 HydrophobicContact CD1-CB 4.18Å; I40-A44 HydrophobicContact CG1-CB 3.72Å; I40-M45 HydrophobicContact CD1-CB 4.39Å; I40-M45 HydrophobicContact CD1-CE 4.4Å; I40-M45 HydrophobicContact CG1-CB 4.39Å; I40-M45 HydrophobicContact CG2-CE 3.55Å; I40-M48 HydrophobicContact CD1-CG 4.17Å | ||
| 41 | G | 96 | Very high | 96.4 | Very high | 47 Ų | 47 | 86.7 Ų | 86.7 | 49% | 0.485 | 47% | 0.468 | S | S | . | . | trans | -67.9 | 160 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F43 A44 M45 | G41-F43 VanDerWaalsContact C-N 3.32Å; G41-F43 PolarHBondContact O-N 3.39Å; G41-A44 PolarHBondContact O-N 3.18Å; G41-M45 WeakPolarHBondContact O-CB 3.49Å; G41-M45 PolarHBondContact O-N 3.36Å | ||
| 42 | C | 95 | Very high | 96.4 | Very high | 113 Ų | 113 | 86.3 Ų | 86.3 | 76% | 0.764 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.2 | -37.6 | -178.3 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | M45 S46 | C42-M45 PolarHBondContact O-N 3.16Å; C42-S46 PolarHBondContact O-N 3.4Å; C42-S46 PolarHBondContact O-OG 3.48Å |
| 43 | F | 96.3 | Very high | 96.3 | Very high | 154 Ų | 154 | 86.7 Ų | 86.7 | 68% | 0.675 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.2 | -48.1 | 176.9 | 179.8 | -110.8 | 0 | 0 | 0 | 111.8 | G41 M45 S46 I47 | G41-F43 VanDerWaalsContact C-N 3.32Å; G41-F43 PolarHBondContact O-N 3.39Å; F43-M45 VanDerWaalsContact C-N 3.3Å; F43-M45 PolarHBondContact O-N 3.16Å; F43-S46 WeakPolarHBondContact O-CB 3.29Å; F43-S46 PolarHBondContact O-N 2.87Å; F43-S46 VanDerWaalsContact O-N 3.15Å; F43-I47 HydrophobicContact CD1-CD1 3.7Å; F43-I47 HydrophobicContact CE1-CD1 3.27Å; F43-I47 HydrophobicContact CE1-CG1 4.33Å; F43-I47 HydrophobicContact CE2-CD1 4.27Å; F43-I47 HydrophobicContact CG-CD1 4.38Å; F43-I47 HydrophobicContact CZ-CD1 3.59Å; F43-I47 HydrophobicContact CZ-CG1 4.28Å; F43-I47 WeakPolarHBondContact O-CG1 3.41Å; F43-I47 PolarHBondContact O-N 3.01Å |
| 44 | A | 97.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 80.5 Ų | 80.5 | 34% | 0.339 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I40 G41 S46 I47 M48 | I40-A44 HydrophobicContact CD1-CB 4.18Å; I40-A44 HydrophobicContact CG1-CB 3.72Å; G41-A44 PolarHBondContact O-N 3.18Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 2.91Å; A44-I47 PolarHBondContact O-N 3.3Å; A44-M48 WeakPolarHBondContact O-CB 3.39Å; A44-M48 VanDerWaalsContact O-CG 3.27Å; A44-M48 WeakPolarHBondContact O-CG 2.99Å; A44-M48 PolarHBondContact O-N 2.97Å |
| 45 | M | 96.2 | Very high | 96.1 | Very high | 24 Ų | 24 | 76.1 Ų | 76.1 | 12% | 0.118 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 174.5 | -179.3 | 59.1 | 81 | 0 | 0 | 112.3 | K24 I27 I40 G41 C42 F43 M48 N49 | K24-M45 HydrophobicContact CB-CG 4.21Å; K24-M45 HydrophobicContact CB-SD 3.83Å; K24-M45 HydrophobicContact CD-CG 4.14Å; K24-M45 HydrophobicContact CG-CG 3.65Å; K24-M45 HydrophobicContact CG-SD 3.74Å; I27-M45 HydrophobicContact CB-CE 4.43Å; I27-M45 HydrophobicContact CB-SD 4.01Å; I27-M45 HydrophobicContact CD1-SD 4.18Å; I27-M45 HydrophobicContact CG2-CE 4.12Å; I27-M45 HydrophobicContact CG2-SD 3.84Å; I40-M45 HydrophobicContact CD1-CB 4.39Å; I40-M45 HydrophobicContact CD1-CE 4.4Å; I40-M45 HydrophobicContact CG1-CB 4.39Å; I40-M45 HydrophobicContact CG2-CE 3.55Å; G41-M45 WeakPolarHBondContact O-CB 3.49Å; G41-M45 PolarHBondContact O-N 3.36Å; C42-M45 PolarHBondContact O-N 3.16Å; F43-M45 VanDerWaalsContact C-N 3.3Å; F43-M45 PolarHBondContact O-N 3.16Å; M45-M48 PolarHBondContact O-N 2.93Å; M45-N49 WeakPolarHBondContact O-CB 3.24Å; M45-N49 PolarHBondContact O-N 3.39Å |
| 46 | S | 95.2 | Very high | 96 | Very high | 55 Ų | 55 | 75.6 Ų | 75.6 | 39% | 0.385 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 174.8 | -67 | 0 | 0 | 0 | 0 | 112.3 | C42 F43 A44 M48 N49 S50 | C42-S46 PolarHBondContact O-N 3.4Å; C42-S46 PolarHBondContact O-OG 3.48Å; F43-S46 WeakPolarHBondContact O-CB 3.29Å; F43-S46 PolarHBondContact O-N 2.87Å; F43-S46 VanDerWaalsContact O-N 3.15Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 2.91Å; S46-M48 VanDerWaalsContact C-N 3.35Å; S46-M48 PolarHBondContact O-N 3.37Å; S46-N49 PolarHBondContact O-N 2.85Å; S46-S50 PolarHBondContact O-N 3.05Å; S46-S50 PolarHBondContact O-OG 2.96Å |
| 47 | I | 97 | Very high | 95.9 | Very high | 87 Ų | 87 | 76.8 Ų | 76.8 | 45% | 0.446 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.6 | -47.8 | 174 | -69.1 | 166.4 | 0 | 0 | 0 | 110.5 | F43 A44 N49 S50 F51 | F43-I47 HydrophobicContact CD1-CD1 3.7Å; F43-I47 HydrophobicContact CE1-CD1 3.27Å; F43-I47 HydrophobicContact CE1-CG1 4.33Å; F43-I47 HydrophobicContact CE2-CD1 4.27Å; F43-I47 HydrophobicContact CG-CD1 4.38Å; F43-I47 HydrophobicContact CZ-CD1 3.59Å; F43-I47 HydrophobicContact CZ-CG1 4.28Å; F43-I47 WeakPolarHBondContact O-CG1 3.41Å; F43-I47 PolarHBondContact O-N 3.01Å; A44-I47 PolarHBondContact O-N 3.3Å; I47-N49 VanDerWaalsContact C-N 3.33Å; I47-N49 PolarHBondContact O-N 3.45Å; I47-S50 PolarHBondContact O-N 3.46Å; I47-F51 WeakPolarHBondContact O-CB 3.31Å; I47-F51 PolarHBondContact O-N 3.02Å |
| 48 | M | 96.8 | Very high | 95.8 | Very high | 80 Ų | 80 | 71.6 Ų | 71.6 | 39% | 0.394 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 180 | -69.6 | -61.2 | -66 | 0 | 0 | 112.2 | I27 I40 A44 M45 S46 F51 A52 | I27-M48 HydrophobicContact CD1-CB 3.72Å; I27-M48 HydrophobicContact CG1-CB 4.37Å; I27-M48 HydrophobicContact CG2-CB 4.06Å; I27-M48 HydrophobicContact CG2-CG 4.46Å; I40-M48 HydrophobicContact CD1-CG 4.17Å; A44-M48 WeakPolarHBondContact O-CB 3.39Å; A44-M48 VanDerWaalsContact O-CG 3.27Å; A44-M48 WeakPolarHBondContact O-CG 2.99Å; A44-M48 PolarHBondContact O-N 2.97Å; M45-M48 PolarHBondContact O-N 2.93Å; S46-M48 VanDerWaalsContact C-N 3.35Å; S46-M48 PolarHBondContact O-N 3.37Å; M48-F51 PolarHBondContact O-N 3.39Å; M48-A52 WeakPolarHBondContact O-CB 3.4Å; M48-A52 PolarHBondContact O-N 2.97Å |
| 49 | N | 95.7 | Very high | 95.8 | Very high | 23 Ų | 23 | 70 Ų | 70 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 173.5 | -178.9 | 78 | 0 | 0 | 0 | 111.5 | S22 F23 K24 I27 M45 S46 I47 A52 N53 | S22-N49 PolarHBondContact OG-OD1 2.89Å; F23-N49 PolarHBondContact N-OD1 3.38Å; K24-N49 HydrophobicContact CG-CB 4.37Å; I27-N49 HydrophobicContact CD1-CB 4.38Å; M45-N49 WeakPolarHBondContact O-CB 3.24Å; M45-N49 PolarHBondContact O-N 3.39Å; S46-N49 PolarHBondContact O-N 2.85Å; I47-N49 VanDerWaalsContact C-N 3.33Å; I47-N49 PolarHBondContact O-N 3.45Å; N49-A52 PolarHBondContact O-N 2.74Å; N49-N53 PolarHBondContact ND2-ND2 3.23Å; N49-N53 WeakPolarHBondContact O-CB 3.31Å; N49-N53 PolarHBondContact O-N 3.06Å; N49-N53 PolarHBondContact O-ND2 3.31Å |
| 50 | S | 96.2 | Very high | 95.8 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 175.1 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | S46 I47 N53 G54 | S46-S50 PolarHBondContact O-N 3.05Å; S46-S50 PolarHBondContact O-OG 2.96Å; I47-S50 PolarHBondContact O-N 3.46Å; S50-N53 PolarHBondContact O-N 2.89Å; S50-G54 PolarHBondContact O-N 3.35Å |
| 51 | F | 96.5 | Very high | 95.8 | Very high | 125 Ų | 125 | 65.9 Ų | 65.9 | 55% | 0.548 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 174.3 | 172.5 | -98.7 | 0 | 0 | 0 | 112 | I47 M48 G54 S55 | I47-F51 WeakPolarHBondContact O-CB 3.31Å; I47-F51 PolarHBondContact O-N 3.02Å; M48-F51 PolarHBondContact O-N 3.39Å; F51-G54 PolarHBondContact O-N 3.03Å; F51-S55 WeakPolarHBondContact O-CB 3.33Å; F51-S55 PolarHBondContact O-N 3.3Å; F51-S55 PolarHBondContact O-OG 3.03Å |
| 52 | A | 95.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 65.9 Ų | 65.9 | 21% | 0.207 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F23 M48 N49 S55 L56 | F23-A52 HydrophobicContact CB-CB 3.91Å; F23-A52 HydrophobicContact CD1-CB 4.32Å; F23-A52 HydrophobicContact CD2-CB 3.51Å; F23-A52 HydrophobicContact CE2-CB 4.09Å; F23-A52 HydrophobicContact CG-CB 3.63Å; M48-A52 WeakPolarHBondContact O-CB 3.4Å; M48-A52 PolarHBondContact O-N 2.97Å; N49-A52 PolarHBondContact O-N 2.74Å; A52-S55 PolarHBondContact O-N 3.22Å; A52-L56 WeakPolarHBondContact O-CB 3.5Å; A52-L56 PolarHBondContact O-N 3.49Å |
| 53 | N | 95.4 | Very high | 95.9 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 35% | 0.348 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 174.3 | -79.8 | -47.8 | 0 | 0 | 0 | 112.5 | F23 N49 S50 S55 L56 H57 | F23-N53 WeakPolarHBondContact CE2-OD1 3.46Å; N49-N53 PolarHBondContact ND2-ND2 3.23Å; N49-N53 WeakPolarHBondContact O-CB 3.31Å; N49-N53 PolarHBondContact O-N 3.06Å; N49-N53 PolarHBondContact O-ND2 3.31Å; S50-N53 PolarHBondContact O-N 2.89Å; N53-S55 VanDerWaalsContact C-N 3.35Å; N53-S55 PolarHBondContact O-N 3.25Å; N53-L56 PolarHBondContact O-N 3.26Å; N53-H57 WeakPolarHBondContact O-CB 3.37Å; N53-H57 PolarHBondContact O-N 3.38Å |
| 54 | G | 94.8 | Very high | 95.8 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S50 F51 H57 G58 | S50-G54 PolarHBondContact O-N 3.35Å; F51-G54 PolarHBondContact O-N 3.03Å; G54-H57 PolarHBondContact O-N 2.91Å; G54-G58 PolarHBondContact O-N 3.38Å |
| 55 | S | 95.1 | Very high | 95.7 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | F51 A52 N53 H57 G58 I59 | F51-S55 WeakPolarHBondContact O-CB 3.33Å; F51-S55 PolarHBondContact O-N 3.3Å; F51-S55 PolarHBondContact O-OG 3.03Å; A52-S55 PolarHBondContact O-N 3.22Å; N53-S55 VanDerWaalsContact C-N 3.35Å; N53-S55 PolarHBondContact O-N 3.25Å; S55-H57 VanDerWaalsContact C-N 3.34Å; S55-H57 PolarHBondContact O-N 2.91Å; S55-G58 PolarHBondContact O-N 2.99Å; S55-I59 VanDerWaalsContact O-CG1 3.31Å; S55-I59 WeakPolarHBondContact O-CG1 3.5Å; S55-I59 PolarHBondContact O-N 3.5Å |
| 56 | L | 95 | Very high | 95.7 | Very high | 91 Ų | 91 | 59.4 Ų | 59.4 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 176.6 | 179.7 | 64.1 | 0 | 0 | 0 | 111.7 | F23 A52 N53 I59 A60 | F23-L56 HydrophobicContact CZ-CD2 4.08Å; A52-L56 WeakPolarHBondContact O-CB 3.5Å; A52-L56 PolarHBondContact O-N 3.49Å; N53-L56 PolarHBondContact O-N 3.26Å; L56-I59 PolarHBondContact O-N 2.94Å; L56-A60 VanDerWaalsContact O-CB 3.31Å; L56-A60 WeakPolarHBondContact O-CB 3.39Å; L56-A60 PolarHBondContact O-N 3.27Å |
| 57 | H | 94.9 | Very high | 95.7 | Very high | 116 Ų | 116 | 57 Ų | 57 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 177.2 | -175.5 | 81 | 0 | 0 | 0 | 111.9 | N53 G54 S55 A60 M61 | N53-H57 WeakPolarHBondContact O-CB 3.37Å; N53-H57 PolarHBondContact O-N 3.38Å; G54-H57 PolarHBondContact O-N 2.91Å; S55-H57 VanDerWaalsContact C-N 3.34Å; S55-H57 PolarHBondContact O-N 2.91Å; H57-A60 PolarHBondContact O-N 3.47Å; H57-M61 VanDerWaalsContact NE2-CE 3.28Å; H57-M61 WeakPolarHBondContact NE2-CE 3.45Å; H57-M61 WeakPolarHBondContact O-CB 2.94Å; H57-M61 PolarHBondContact O-N 2.95Å |
| 58 | G | 95 | Very high | 95.6 | Very high | 29 Ų | 29 | 61.7 Ų | 61.7 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | G54 S55 A60 M61 E62 | G54-G58 PolarHBondContact O-N 3.38Å; S55-G58 PolarHBondContact O-N 2.99Å; G58-A60 PolarHBondContact O-N 3.33Å; G58-M61 PolarHBondContact O-N 2.94Å; G58-E62 PolarHBondContact O-N 2.96Å; G58-E62 VanDerWaalsContact O-N 3.16Å |
| 59 | I | 96.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 66.2 Ų | 66.2 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 176.9 | -63.6 | 162 | 0 | 0 | 0 | 110.7 | S55 L56 M61 E62 A63 P83 V84 F88 | S55-I59 VanDerWaalsContact O-CG1 3.31Å; S55-I59 WeakPolarHBondContact O-CG1 3.5Å; S55-I59 PolarHBondContact O-N 3.5Å; L56-I59 PolarHBondContact O-N 2.94Å; I59-M61 PolarHBondContact O-N 3.21Å; I59-E62 PolarHBondContact O-N 2.92Å; I59-A63 VanDerWaalsContact O-CB 3.24Å; I59-A63 WeakPolarHBondContact O-CB 3.4Å; I59-A63 PolarHBondContact O-N 3Å; I59-P83 HydrophobicContact CG2-CB 4.05Å; I59-V84 HydrophobicContact CD1-CG2 4.09Å; I59-V84 HydrophobicContact CG1-CG2 4.29Å; I59-V84 HydrophobicContact CG2-CG2 4.13Å; I59-F88 HydrophobicContact CD1-CE2 4.03Å; I59-F88 HydrophobicContact CG1-CE2 4.33Å |
| 60 | A | 95.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 69.6 Ų | 69.6 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L56 H57 G58 S64 | L56-A60 VanDerWaalsContact O-CB 3.31Å; L56-A60 WeakPolarHBondContact O-CB 3.39Å; L56-A60 PolarHBondContact O-N 3.27Å; H57-A60 PolarHBondContact O-N 3.47Å; G58-A60 PolarHBondContact O-N 3.33Å; A60-S64 WeakPolarHBondContact O-CB 3.41Å; A60-S64 PolarHBondContact O-N 3.33Å |
| 61 | M | 96.2 | Very high | 95.2 | Very high | 82 Ų | 82 | 73 Ų | 73 | 40% | 0.404 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 177 | -174.2 | 178.8 | -62.3 | 0 | 0 | 111.3 | H57 G58 I59 S64 R65 | H57-M61 VanDerWaalsContact NE2-CE 3.28Å; H57-M61 WeakPolarHBondContact NE2-CE 3.45Å; H57-M61 WeakPolarHBondContact O-CB 2.94Å; H57-M61 PolarHBondContact O-N 2.95Å; G58-M61 PolarHBondContact O-N 2.94Å; I59-M61 PolarHBondContact O-N 3.21Å; M61-S64 PolarHBondContact O-N 2.91Å; M61-R65 WeakPolarHBondContact O-CG 3.36Å; M61-R65 PolarHBondContact O-N 3.14Å |
| 62 | E | 95.7 | Very high | 95 | Very high | 48 Ų | 48 | 69.4 Ų | 69.4 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.5 | -34.3 | -179.7 | -158.6 | 63.1 | -162.7 | 0 | 0 | 111.5 | G58 I59 S64 R65 L66 P83 L86 | G58-E62 PolarHBondContact O-N 2.96Å; G58-E62 VanDerWaalsContact O-N 3.16Å; I59-E62 PolarHBondContact O-N 2.92Å; E62-S64 PolarHBondContact O-N 3.19Å; E62-R65 PolarHBondContact O-N 3.4Å; E62-R65 VanDerWaalsContact OE2-CD 3.29Å; E62-R65 WeakPolarHBondContact OE2-CD 3.24Å; E62-R65 IonicContact OE2-CZ 2.72Å; E62-R65 IonicContact OE2-NE 2.69Å; E62-R65 IonicContact OE2-NH1 3.12Å; E62-R65 PolarHBondContact OE2-NH1 3.23Å; E62-L66 WeakPolarHBondContact O-CG 3.06Å; E62-L66 PolarHBondContact O-N 3.23Å; E62-P83 HydrophobicContact CB-CB 3.96Å; E62-P83 HydrophobicContact CB-CG 4.1Å; E62-P83 HydrophobicContact CG-CB 4.37Å; E62-P83 HydrophobicContact CG-CG 4.35Å; E62-L86 HydrophobicContact CG-CD1 3.91Å |
| 63 | A | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I59 R65 L66 A67 I75 E79 I80 P83 | I59-A63 VanDerWaalsContact O-CB 3.24Å; I59-A63 WeakPolarHBondContact O-CB 3.4Å; I59-A63 PolarHBondContact O-N 3Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 3.2Å; A63-L66 PolarHBondContact O-N 3.4Å; A63-A67 PolarHBondContact O-N 3.31Å; A63-I75 HydrophobicContact CB-CG2 4.13Å; A63-E79 VanDerWaalsContact CA-O 3.25Å; A63-E79 WeakPolarHBondContact CA-O 3.11Å; A63-E79 WeakPolarHBondContact CB-O 3.48Å; A63-I80 HydrophobicContact CB-CD1 3.87Å; A63-P83 HydrophobicContact CB-CG 3.95Å |
| 64 | S | 95.4 | Very high | 94.7 | Very high | 55 Ų | 55 | 80.3 Ų | 80.3 | 39% | 0.385 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | A60 M61 E62 A67 R68 | A60-S64 WeakPolarHBondContact O-CB 3.41Å; A60-S64 PolarHBondContact O-N 3.33Å; M61-S64 PolarHBondContact O-N 2.91Å; E62-S64 PolarHBondContact O-N 3.19Å; S64-A67 PolarHBondContact O-N 3.26Å; S64-R68 VanDerWaalsContact O-CG 3.28Å; S64-R68 WeakPolarHBondContact O-CG 3.25Å; S64-R68 PolarHBondContact O-N 3.45Å |
| 65 | R | 95.2 | Very high | 94.7 | Very high | 111 Ų | 111 | 82.1 Ų | 82.1 | 42% | 0.419 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.7 | -74 | 169.9 | 174.7 | 173.9 | -2.2 | 112 | M61 E62 A63 R68 Y69 | M61-R65 WeakPolarHBondContact O-CG 3.36Å; M61-R65 PolarHBondContact O-N 3.14Å; E62-R65 PolarHBondContact O-N 3.4Å; E62-R65 VanDerWaalsContact OE2-CD 3.29Å; E62-R65 WeakPolarHBondContact OE2-CD 3.24Å; E62-R65 IonicContact OE2-CZ 2.72Å; E62-R65 IonicContact OE2-NE 2.69Å; E62-R65 IonicContact OE2-NH1 3.12Å; E62-R65 PolarHBondContact OE2-NH1 3.23Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 3.2Å; R65-R68 WeakPolarHBondContact O-CB 3.28Å; R65-R68 PolarHBondContact O-N 2.89Å; R65-Y69 HydrophobicContact CB-CE2 4.11Å; R65-Y69 WeakPolarHBondContact O-CD2 3.25Å; R65-Y69 PolarHBondContact O-N 3.45Å |
| 66 | L | 95.1 | Very high | 94.6 | Very high | 29 Ų | 29 | 81.9 Ų | 81.9 | 15% | 0.152 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.2 | -71.8 | 173.8 | 0 | 0 | 0 | 112.7 | E62 A63 R68 Y69 N70 E79 I82 P83 | E62-L66 WeakPolarHBondContact O-CG 3.06Å; E62-L66 PolarHBondContact O-N 3.23Å; A63-L66 PolarHBondContact O-N 3.4Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 3.07Å; L66-Y69 PolarHBondContact O-N 3.43Å; L66-N70 PolarHBondContact O-N 3.12Å; L66-E79 HydrophobicContact CB-CG 4.34Å; L66-I82 HydrophobicContact CD1-CB 3.77Å; L66-I82 HydrophobicContact CD1-CG2 3.63Å; L66-P83 VanDerWaalsContact CD1-CD 3.43Å; L66-P83 HydrophobicContact CD1-CG 3.56Å |
| 67 | A | 95.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 80.9 Ų | 80.9 | 5% | 0.05 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A63 S64 N70 N71 S72 I75 E79 | A63-A67 PolarHBondContact O-N 3.31Å; S64-A67 PolarHBondContact O-N 3.26Å; A67-N70 CarbonylContact O-C 3.6Å; A67-N70 PolarHBondContact O-N 2.98Å; A67-N71 PolarHBondContact O-N 3.49Å; A67-S72 CarbonylContact C-O 3.56Å; A67-S72 PolarHBondContact O-N 3.27Å; A67-I75 HydrophobicContact CB-CG1 4.06Å; A67-E79 HydrophobicContact CB-CG 4.22Å |
| 68 | R | 95.1 | Very high | 94.5 | Very high | 185 Ų | 185 | 83.6 Ų | 83.6 | 70% | 0.698 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 175.4 | -70.2 | 176.6 | 67.9 | -151.8 | -1.4 | 113 | S64 R65 L66 N70 N71 | S64-R68 VanDerWaalsContact O-CG 3.28Å; S64-R68 WeakPolarHBondContact O-CG 3.25Å; S64-R68 PolarHBondContact O-N 3.45Å; R65-R68 WeakPolarHBondContact O-CB 3.28Å; R65-R68 PolarHBondContact O-N 2.89Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 3.07Å; R68-N70 PolarHBondContact O-N 3Å; R68-N71 PolarHBondContact O-N 3.41Å; R68-N71 VanDerWaalsContact O-N 3.14Å |
| 69 | Y | 94.6 | Very high | 94.5 | Very high | 174 Ų | 174 | 83.3 Ų | 83.3 | 68% | 0.682 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.9 | -32.6 | 175.8 | -69.3 | -48.1 | 0 | 0 | 0 | 112.5 | R65 L66 N71 | R65-Y69 HydrophobicContact CB-CE2 4.11Å; R65-Y69 WeakPolarHBondContact O-CD2 3.25Å; R65-Y69 PolarHBondContact O-N 3.45Å; L66-Y69 PolarHBondContact O-N 3.43Å; Y69-N71 VanDerWaalsContact C-N 3.26Å; Y69-N71 PolarHBondContact O-N 2.92Å |
| 70 | N | 93.2 | Very high | 94.4 | Very high | 95 Ų | 95 | 85.7 Ų | 85.7 | 51% | 0.508 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 2.7 | 176.8 | -68 | -20 | 0 | 0 | 0 | 113.4 | L66 A67 R68 S72 E79 | L66-N70 PolarHBondContact O-N 3.12Å; A67-N70 CarbonylContact O-C 3.6Å; A67-N70 PolarHBondContact O-N 2.98Å; R68-N70 PolarHBondContact O-N 3Å; N70-S72 PolarHBondContact O-N 2.88Å; N70-E79 PolarHBondContact ND2-OE1 3.43Å |
| 71 | N | 93.3 | Very high | 94.4 | Very high | 150 Ų | 150 | 89.9 Ų | 89.9 | 80% | 0.802 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 36.6 | -170 | -58.6 | -66.5 | 0 | 0 | 0 | 112.4 | A67 R68 Y69 | A67-N71 PolarHBondContact O-N 3.49Å; R68-N71 PolarHBondContact O-N 3.41Å; R68-N71 VanDerWaalsContact O-N 3.14Å; Y69-N71 VanDerWaalsContact C-N 3.26Å; Y69-N71 PolarHBondContact O-N 2.92Å |
| 72 | S | 91.6 | Very high | 94.3 | Very high | 49 Ų | 49 | 89.4 Ų | 89.4 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | trans | -103.2 | 129.2 | 178.4 | -164.8 | 0 | 0 | 0 | 0 | 109.9 | A67 N70 M74 | A67-S72 CarbonylContact C-O 3.56Å; A67-S72 PolarHBondContact O-N 3.27Å; N70-S72 PolarHBondContact O-N 2.88Å; S72-M74 PolarHBondContact O-N 3.46Å; S72-M74 PolarHBondContact OG-N 3.47Å; S72-M74 PolarHBondContact OG-O 2.99Å | ||
| 73 | D | 91.7 | Very high | 94.3 | Very high | 180 Ų | 180 | 87.1 Ų | 87.1 | 96% | 0.963 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -79.6 | -0.6 | 172.8 | -62.5 | -40.4 | 0 | 0 | 0 | 112.5 | ||
| 74 | M | 93.5 | Very high | 94.3 | Very high | 139 Ų | 139 | 90.1 Ų | 90.1 | 69% | 0.685 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -122.6 | 135.4 | -177.2 | -173.6 | 179.5 | 176.8 | 0 | 0 | 111.2 | S72 | S72-M74 PolarHBondContact O-N 3.46Å; S72-M74 PolarHBondContact OG-N 3.47Å; S72-M74 PolarHBondContact OG-O 2.99Å |
| 75 | I | 93.6 | Very high | 94.2 | Very high | 84 Ų | 84 | 95.8 Ų | 95.8 | 43% | 0.431 | 46% | 0.464 | S | S | . | . | trans | -89.2 | 106.5 | 170.2 | -62.1 | 174.3 | 0 | 0 | 0 | 107.8 | A63 A67 E79 I80 | A63-I75 HydrophobicContact CB-CG2 4.13Å; A67-I75 HydrophobicContact CB-CG1 4.06Å; I75-E79 HydrophobicContact CG2-CB 3.82Å; I75-I80 HydrophobicContact CG2-CD1 3.62Å; I75-I80 HydrophobicContact CG2-CG1 3.93Å | ||
| 76 | G | 94 | Very high | 94 | Very high | 24 Ų | 24 | 95.5 Ų | 95.5 | 25% | 0.247 | 47% | 0.47 | C | S | . | . | trans | -87.4 | -177.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R78 E79 I80 | G76-R78 PolarHBondContact O-N 3.2Å; G76-E79 VanDerWaalsContact CA-OE2 3.25Å; G76-E79 WeakPolarHBondContact CA-OE2 3.28Å; G76-E79 PolarHBondContact N-OE2 3.23Å; G76-E79 PolarHBondContact O-N 3.38Å; G76-I80 PolarHBondContact O-N 3.06Å | ||
| 77 | A | 94.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 96.9 Ų | 96.9 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61 | -34.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I80 Q81 | A77-I80 PolarHBondContact O-N 3.13Å; A77-Q81 WeakPolarHBondContact O-CB 3.46Å; A77-Q81 VanDerWaalsContact O-CG 3.24Å; A77-Q81 WeakPolarHBondContact O-CG 3.39Å; A77-Q81 PolarHBondContact O-N 2.76Å |
| 78 | R | 93.5 | Very high | 93.7 | Very high | 173 Ų | 173 | 101 Ų | 101 | 65% | 0.653 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 177.5 | -177.7 | -178.9 | -67.5 | -168.7 | 0.6 | 111.2 | G76 I80 Q81 I82 | G76-R78 PolarHBondContact O-N 3.2Å; R78-I80 PolarHBondContact O-N 3.19Å; R78-Q81 PolarHBondContact O-N 3.38Å; R78-I82 HydrophobicContact CG-CD1 3.6Å; R78-I82 HydrophobicContact CG-CG1 4.25Å; R78-I82 WeakPolarHBondContact O-CG1 3.37Å; R78-I82 PolarHBondContact O-N 3.05Å |
| 79 | E | 93.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 97.7 Ų | 97.7 | 11% | 0.107 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -66.5 | -14.8 | 177.1 | -70.5 | 65.9 | -141.6 | 0 | 0 | 112.6 | A63 L66 A67 N70 I75 G76 P83 | A63-E79 VanDerWaalsContact CA-O 3.25Å; A63-E79 WeakPolarHBondContact CA-O 3.11Å; A63-E79 WeakPolarHBondContact CB-O 3.48Å; L66-E79 HydrophobicContact CB-CG 4.34Å; A67-E79 HydrophobicContact CB-CG 4.22Å; N70-E79 PolarHBondContact ND2-OE1 3.43Å; I75-E79 HydrophobicContact CG2-CB 3.82Å; G76-E79 VanDerWaalsContact CA-OE2 3.25Å; G76-E79 WeakPolarHBondContact CA-OE2 3.28Å; G76-E79 PolarHBondContact N-OE2 3.23Å; G76-E79 PolarHBondContact O-N 3.38Å; E79-P83 WeakPolarHBondContact O-CD 3.38Å; E79-P83 WeakPolarHBondContact O-CG 3.29Å |
| 80 | I | 95.2 | Very high | 93.2 | Very high | 75 Ų | 75 | 95.8 Ų | 95.8 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -94.2 | -41.4 | 170.6 | -61.4 | -61.6 | 0 | 0 | 0 | 111.9 | A63 I75 G76 A77 R78 P83 V84 | A63-I80 HydrophobicContact CB-CD1 3.87Å; I75-I80 HydrophobicContact CG2-CD1 3.62Å; I75-I80 HydrophobicContact CG2-CG1 3.93Å; G76-I80 PolarHBondContact O-N 3.06Å; A77-I80 PolarHBondContact O-N 3.13Å; R78-I80 PolarHBondContact O-N 3.19Å; I80-P83 WeakPolarHBondContact O-CD 3.32Å; I80-V84 VanDerWaalsContact O-CG2 3.32Å; I80-V84 WeakPolarHBondContact O-CG2 3.47Å; I80-V84 PolarHBondContact O-N 2.99Å |
| 81 | Q | 95.1 | Very high | 92.4 | Very high | 136 Ų | 136 | 102.6 Ų | 102.6 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.9 | -41.9 | -177.9 | -73.7 | 170.2 | 4.8 | 0 | 0 | 112.7 | A77 R78 V84 R85 | A77-Q81 WeakPolarHBondContact O-CB 3.46Å; A77-Q81 VanDerWaalsContact O-CG 3.24Å; A77-Q81 WeakPolarHBondContact O-CG 3.39Å; A77-Q81 PolarHBondContact O-N 2.76Å; R78-Q81 PolarHBondContact O-N 3.38Å; Q81-V84 PolarHBondContact O-N 3.46Å; Q81-R85 PolarHBondContact O-N 3.15Å |
| 82 | I | 95.1 | Very high | 92.3 | Very high | 72 Ų | 72 | 100.2 Ų | 100.2 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -48.2 | -179 | -63.4 | 172.2 | 0 | 0 | 0 | 111 | L66 R78 V84 R85 L86 | L66-I82 HydrophobicContact CD1-CB 3.77Å; L66-I82 HydrophobicContact CD1-CG2 3.63Å; R78-I82 HydrophobicContact CG-CD1 3.6Å; R78-I82 HydrophobicContact CG-CG1 4.25Å; R78-I82 WeakPolarHBondContact O-CG1 3.37Å; R78-I82 PolarHBondContact O-N 3.05Å; I82-V84 VanDerWaalsContact C-N 3.29Å; I82-V84 PolarHBondContact O-N 3.19Å; I82-R85 WeakPolarHBondContact O-CA 3.35Å; I82-R85 WeakPolarHBondContact O-CB 3.49Å; I82-R85 PolarHBondContact O-N 3.12Å; I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 2.97Å |
| 83 | P | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 102.9 Ų | 102.9 | 0% | 0 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -55.7 | -38.6 | 173.1 | -37.4 | 45.4 | 0 | 0 | 0 | 114.9 | I59 E62 A63 L66 E79 I80 R85 L86 C87 | I59-P83 HydrophobicContact CG2-CB 4.05Å; E62-P83 HydrophobicContact CB-CB 3.96Å; E62-P83 HydrophobicContact CB-CG 4.1Å; E62-P83 HydrophobicContact CG-CB 4.37Å; E62-P83 HydrophobicContact CG-CG 4.35Å; A63-P83 HydrophobicContact CB-CG 3.95Å; L66-P83 VanDerWaalsContact CD1-CD 3.43Å; L66-P83 HydrophobicContact CD1-CG 3.56Å; E79-P83 WeakPolarHBondContact O-CD 3.38Å; E79-P83 WeakPolarHBondContact O-CG 3.29Å; I80-P83 WeakPolarHBondContact O-CD 3.32Å; P83-R85 VanDerWaalsContact C-N 3.26Å; P83-R85 PolarHBondContact O-N 2.76Å; P83-L86 PolarHBondContact O-N 3.1Å; P83-L86 VanDerWaalsContact O-N 3.08Å; P83-C87 VanDerWaalsContact O-CB 3.32Å; P83-C87 WeakPolarHBondContact O-CB 3.39Å; P83-C87 PolarHBondContact O-N 3.22Å; P83-C87 PolarHBondContact O-SG 3.47Å |
| 84 | V | 95.6 | Very high | 92.4 | Very high | 62 Ų | 62 | 98.6 Ų | 98.6 | 38% | 0.376 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | I59 I80 Q81 I82 L86 F88 | I59-V84 HydrophobicContact CD1-CG2 4.09Å; I59-V84 HydrophobicContact CG1-CG2 4.29Å; I59-V84 HydrophobicContact CG2-CG2 4.13Å; I80-V84 VanDerWaalsContact O-CG2 3.32Å; I80-V84 WeakPolarHBondContact O-CG2 3.47Å; I80-V84 PolarHBondContact O-N 2.99Å; Q81-V84 PolarHBondContact O-N 3.46Å; I82-V84 VanDerWaalsContact C-N 3.29Å; I82-V84 PolarHBondContact O-N 3.19Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 3.42Å; V84-F88 HydrophobicContact CG1-CD2 4.15Å; V84-F88 WeakPolarHBondContact O-CD2 3.11Å; V84-F88 PolarHBondContact O-N 3.43Å |
| 85 | R | 93.8 | Very high | 92.3 | Very high | 174 Ų | 174 | 96.2 Ų | 96.2 | 66% | 0.657 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.7 | -28 | 174.9 | -169.9 | 176.5 | -176.7 | -177.9 | 2.5 | 113.6 | Q81 I82 P83 E90 | Q81-R85 PolarHBondContact O-N 3.15Å; I82-R85 WeakPolarHBondContact O-CA 3.35Å; I82-R85 WeakPolarHBondContact O-CB 3.49Å; I82-R85 PolarHBondContact O-N 3.12Å; P83-R85 VanDerWaalsContact C-N 3.26Å; P83-R85 PolarHBondContact O-N 2.76Å; R85-E90 IonicContact CZ-OE1 3.79Å; R85-E90 IonicContact NE-OE1 2.8Å; R85-E90 PolarHBondContact NE-OE1 2.8Å; R85-E90 IonicContact NH2-OE1 3.93Å; R85-E90 PolarHBondContact NH2-OE1 3.46Å; R85-E90 IonicContact NH2-OE2 3.99Å |
| 86 | L | 92.4 | Very high | 92.3 | Very high | 106 Ų | 106 | 97 Ų | 97 | 56% | 0.555 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -80.2 | -38 | 177.5 | -69.2 | 171.3 | 0 | 0 | 0 | 112.8 | E62 I82 P83 V84 | E62-L86 HydrophobicContact CG-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 2.97Å; P83-L86 PolarHBondContact O-N 3.1Å; P83-L86 VanDerWaalsContact O-N 3.08Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 3.42Å |
| 87 | C | 91.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 101.9 Ų | 101.9 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -81.3 | -24.5 | -174.8 | -68.2 | 0 | 0 | 0 | 0 | 113.4 | P83 | P83-C87 VanDerWaalsContact O-CB 3.32Å; P83-C87 WeakPolarHBondContact O-CB 3.39Å; P83-C87 PolarHBondContact O-N 3.22Å; P83-C87 PolarHBondContact O-SG 3.47Å |
| 88 | F | 91.6 | Very high | 92 | Very high | 91 Ų | 91 | 104.1 Ų | 104.1 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -117.8 | 135.5 | -179 | -61.3 | -77.7 | 0 | 0 | 0 | 110.6 | I59 V84 | I59-F88 HydrophobicContact CD1-CE2 4.03Å; I59-F88 HydrophobicContact CG1-CE2 4.33Å; V84-F88 HydrophobicContact CG1-CD2 4.15Å; V84-F88 WeakPolarHBondContact O-CD2 3.11Å; V84-F88 PolarHBondContact O-N 3.43Å |
| 89 | P | 92.5 | Very high | 91.9 | Very high | 117 Ų | 117 | 98.8 Ų | 98.8 | 76% | 0.76 | 50% | 0.502 | S | S | * | . | trans | -63.9 | 147.5 | 175 | 28.7 | -34.2 | 0 | 0 | 0 | 110.4 | ||||
| 90 | E | 85.9 | Confident | 91.7 | Very high | 134 Ų | 134 | 105.2 Ų | 105.2 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | trans | -69.5 | 137.2 | 167.6 | -63.1 | -176.8 | -179.4 | 0 | 0 | 108.7 | R85 | R85-E90 IonicContact CZ-OE1 3.79Å; R85-E90 IonicContact NE-OE1 2.8Å; R85-E90 PolarHBondContact NE-OE1 2.8Å; R85-E90 IonicContact NH2-OE1 3.93Å; R85-E90 PolarHBondContact NH2-OE1 3.46Å; R85-E90 IonicContact NH2-OE2 3.99Å | ||
| 91 | N | 76.8 | Confident | 91.4 | Very high | 237 Ų | 237 | 107.9 Ų | 107.9 | 100% | 1.267 | 55% | 0.549 | S | S | * | . | trans | -67.2 | 0 | 176.3 | -66.7 | -40.8 | 0 | 0 | 0 | 112 |
Retrieved 91 of 91 residues in 68.4 ms
(Link to these results)