| 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 | 52.6 | Low | 81.2 | Confident | 232 Ų | 232 | 117.8 Ų | 117.8 | 100% | 1.143 | 63% | 0.63 | S | S | * | * | 0 | 128.7 | 0 | -77.4 | 168.9 | 40.1 | 0 | 0 | 105.8 | E3 | M1-E3 PolarHBondContact O-N 3.28Š| |||
| 2 | L | 56.7 | Low | 82.4 | Confident | 179 Ų | 179 | 117.8 Ų | 117.8 | 94% | 0.937 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 125.1 | 169.5 | -68.4 | 165.3 | 0 | 0 | 0 | 106 | ||
| 3 | E | 68 | Low | 83.5 | Confident | 150 Ų | 150 | 119.6 Ų | 119.6 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 140.7 | 173.4 | -73.7 | 163.3 | 162 | 0 | 0 | 108.8 | M1 | M1-E3 PolarHBondContact O-N 3.28Š|
| 4 | D | 84.5 | Confident | 84.4 | Confident | 83 Ų | 83 | 116.9 Ų | 116.9 | 44% | 0.444 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 126.8 | -178.4 | -177.9 | 84.5 | 0 | 0 | 0 | 109.2 | D6 E7 L8 | D4-D6 PolarHBondContact O-N 2.83Å; D4-D6 WeakPolarHBondContact OD2-CB 3.49Å; D4-D6 PolarHBondContact OD2-N 3.3Å; D4-E7 HydrophobicContact CB-CB 4.05Å; D4-E7 WeakPolarHBondContact O-CB 3.45Å; D4-E7 PolarHBondContact O-N 3.44Å; D4-E7 VanDerWaalsContact O-N 3.12Å; D4-E7 PolarHBondContact OD2-N 3.45Å; D4-L8 PolarHBondContact O-N 2.97Å |
| 5 | P | 84.1 | Confident | 85.2 | Confident | 99 Ų | 99 | 117.9 Ų | 117.9 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.1 | -30 | -174.8 | -23.7 | 32.5 | 0 | 0 | 0 | 113.8 | A9 | P5-A9 PolarHBondContact O-N 2.9Å |
| 6 | D | 87.3 | Confident | 86 | Confident | 125 Ų | 125 | 119 Ų | 119 | 67% | 0.668 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.8 | -37.4 | 179.6 | -61.8 | -26.6 | 0 | 0 | 0 | 110.4 | D4 A9 V10 | D4-D6 PolarHBondContact O-N 2.83Å; D4-D6 WeakPolarHBondContact OD2-CB 3.49Å; D4-D6 PolarHBondContact OD2-N 3.3Å; D6-A9 PolarHBondContact O-N 2.95Å; D6-V10 WeakPolarHBondContact O-CG2 3.32Å; D6-V10 PolarHBondContact O-N 3.05Å |
| 7 | E | 89.6 | Confident | 86.7 | Confident | 124 Ų | 124 | 118.3 Ų | 118.3 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.6 | -41.4 | 172.6 | -172.6 | 175 | -170.6 | 0 | 0 | 111.9 | D4 V10 L11 | D4-E7 HydrophobicContact CB-CB 4.05Å; D4-E7 WeakPolarHBondContact O-CB 3.45Å; D4-E7 PolarHBondContact O-N 3.44Å; D4-E7 VanDerWaalsContact O-N 3.12Å; D4-E7 PolarHBondContact OD2-N 3.45Å; E7-V10 PolarHBondContact O-N 2.86Å; E7-L11 WeakPolarHBondContact O-CG 3.17Å; E7-L11 PolarHBondContact O-N 3.03Å; E7-L11 VanDerWaalsContact O-N 3.17Å |
| 8 | L | 90.1 | Very high | 87.3 | Confident | 73 Ų | 73 | 117.3 Ų | 117.3 | 38% | 0.382 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.4 | -41.4 | 178.2 | -171.8 | 63.7 | 0 | 0 | 0 | 112 | D4 V10 L11 E12 | D4-L8 PolarHBondContact O-N 2.97Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 PolarHBondContact O-N 2.84Å; L8-L11 PolarHBondContact O-N 2.79Å; L8-E12 WeakPolarHBondContact O-CG 3.47Å; L8-E12 PolarHBondContact O-N 2.8Å |
| 9 | A | 92 | Very high | 87.9 | Confident | 53 Ų | 53 | 114.6 Ų | 114.6 | 44% | 0.438 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.9 | -38.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P5 D6 E12 E13 | P5-A9 PolarHBondContact O-N 2.9Å; D6-A9 PolarHBondContact O-N 2.95Å; A9-E12 PolarHBondContact O-N 3.47Å; A9-E13 PolarHBondContact O-N 2.9Å; A9-E13 VanDerWaalsContact O-N 3.07Å |
| 10 | V | 94.2 | Very high | 88.4 | Confident | 79 Ų | 79 | 113.1 Ų | 113.1 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.1 | -41.2 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | D6 E7 L8 E13 I14 | D6-V10 WeakPolarHBondContact O-CG2 3.32Å; D6-V10 PolarHBondContact O-N 3.05Å; E7-V10 PolarHBondContact O-N 2.86Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 PolarHBondContact O-N 2.84Å; V10-E13 PolarHBondContact O-N 3.32Å; V10-I14 HydrophobicContact CG1-CD1 3.91Å; V10-I14 VanDerWaalsContact O-CG1 3.3Å; V10-I14 WeakPolarHBondContact O-CG1 2.93Å; V10-I14 PolarHBondContact O-N 3.01Å |
| 11 | L | 94.6 | Very high | 88.9 | Confident | 99 Ų | 99 | 112.5 Ų | 112.5 | 52% | 0.518 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.6 | -38.5 | 177.4 | -68.7 | 172.8 | 0 | 0 | 0 | 112.1 | E7 L8 I14 Q15 | E7-L11 WeakPolarHBondContact O-CG 3.17Å; E7-L11 PolarHBondContact O-N 3.03Å; E7-L11 VanDerWaalsContact O-N 3.17Å; L8-L11 PolarHBondContact O-N 2.79Å; L11-I14 PolarHBondContact O-N 2.85Å; L11-Q15 WeakPolarHBondContact O-CB 3.4Å; L11-Q15 PolarHBondContact O-N 3.23Å |
| 12 | E | 95.1 | Very high | 91 | Very high | 118 Ų | 118 | 107.5 Ų | 107.5 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.4 | -41.1 | 175.3 | -73.7 | 179.9 | 177.1 | 0 | 0 | 112.2 | L8 A9 Q15 H16 | L8-E12 WeakPolarHBondContact O-CG 3.47Å; L8-E12 PolarHBondContact O-N 2.8Å; A9-E12 PolarHBondContact O-N 3.47Å; E12-Q15 PolarHBondContact O-N 3.1Å; E12-H16 WeakPolarHBondContact O-CB 3.34Å; E12-H16 PolarHBondContact O-N 2.84Å |
| 13 | E | 96.4 | Very high | 93 | Very high | 141 Ų | 141 | 103.9 Ų | 103.9 | 66% | 0.659 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -46.7 | 175.9 | -174.4 | 176.3 | -170.9 | 0 | 0 | 111.6 | A9 V10 Q15 H16 E17 | A9-E13 PolarHBondContact O-N 2.9Å; A9-E13 VanDerWaalsContact O-N 3.07Å; V10-E13 PolarHBondContact O-N 3.32Å; E13-Q15 VanDerWaalsContact C-N 3.32Å; E13-Q15 PolarHBondContact O-N 3.21Å; E13-H16 PolarHBondContact O-N 2.83Å; E13-E17 PolarHBondContact O-N 2.97Å |
| 14 | I | 96.6 | Very high | 94.4 | Very high | 82 Ų | 82 | 101.1 Ų | 101.1 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 176.4 | -67.5 | 166.2 | 0 | 0 | 0 | 110.6 | V10 L11 H16 E17 L18 | V10-I14 HydrophobicContact CG1-CD1 3.91Å; V10-I14 VanDerWaalsContact O-CG1 3.3Å; V10-I14 WeakPolarHBondContact O-CG1 2.93Å; V10-I14 PolarHBondContact O-N 3.01Å; L11-I14 PolarHBondContact O-N 2.85Å; I14-H16 VanDerWaalsContact C-N 3.32Å; I14-H16 PolarHBondContact O-N 2.92Å; I14-E17 PolarHBondContact O-N 2.89Å; I14-L18 HydrophobicContact CG2-CD1 3.97Å; I14-L18 HydrophobicContact CG2-CG 4.39Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.48Å; I14-L18 PolarHBondContact O-N 3.2Å |
| 15 | Q | 97.1 | Very high | 95.1 | Very high | 131 Ų | 131 | 102.7 Ų | 102.7 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -41.4 | 179.2 | -171 | 175.9 | 21.8 | 0 | 0 | 111.4 | L11 E12 E13 L18 V19 | L11-Q15 WeakPolarHBondContact O-CB 3.4Å; L11-Q15 PolarHBondContact O-N 3.23Å; E12-Q15 PolarHBondContact O-N 3.1Å; E13-Q15 VanDerWaalsContact C-N 3.32Å; E13-Q15 PolarHBondContact O-N 3.21Å; Q15-L18 PolarHBondContact O-N 2.83Å; Q15-V19 WeakPolarHBondContact O-CG2 3.44Å; Q15-V19 PolarHBondContact O-N 3.19Å; Q15-V19 VanDerWaalsContact O-N 3.09Å |
| 16 | H | 97.6 | Very high | 95.7 | Very high | 136 Ų | 136 | 102 Ų | 102 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -41.4 | 176.9 | -172.8 | -89.7 | 0 | 0 | 0 | 112 | E12 E13 I14 V19 L20 | E12-H16 WeakPolarHBondContact O-CB 3.34Å; E12-H16 PolarHBondContact O-N 2.84Å; E13-H16 PolarHBondContact O-N 2.83Å; I14-H16 VanDerWaalsContact C-N 3.32Å; I14-H16 PolarHBondContact O-N 2.92Å; H16-V19 PolarHBondContact O-N 2.84Å; H16-L20 PolarHBondContact O-N 3.18Å |
| 17 | E | 98 | Very high | 96.2 | Very high | 107 Ų | 107 | 100.7 Ų | 100.7 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 175.5 | -173.8 | 177.1 | -167 | 0 | 0 | 111.8 | E13 I14 V19 L20 Q21 | E13-E17 PolarHBondContact O-N 2.97Å; I14-E17 PolarHBondContact O-N 2.89Å; E17-V19 PolarHBondContact O-N 2.93Å; E17-L20 WeakPolarHBondContact O-CB 3.01Å; E17-L20 PolarHBondContact O-N 2.83Å; E17-Q21 HydrophobicContact CG-CG 4.45Å; E17-Q21 WeakPolarHBondContact O-CG 3.44Å; E17-Q21 PolarHBondContact O-N 3.27Å; E17-Q21 PolarHBondContact OE1-NE2 3.46Å |
| 18 | L | 98 | Very high | 96.6 | Very high | 101 Ų | 101 | 101.2 Ų | 101.2 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 178.3 | -73.2 | 170.9 | 0 | 0 | 0 | 112.1 | I14 Q15 L20 Q21 E22 | I14-L18 HydrophobicContact CG2-CD1 3.97Å; I14-L18 HydrophobicContact CG2-CG 4.39Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.48Å; I14-L18 PolarHBondContact O-N 3.2Å; Q15-L18 PolarHBondContact O-N 2.83Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.47Å; L18-Q21 PolarHBondContact O-N 2.8Å; L18-E22 WeakPolarHBondContact O-CB 3.5Å; L18-E22 PolarHBondContact O-N 2.74Å |
| 19 | V | 97.8 | Very high | 97 | Very high | 65 Ų | 65 | 105 Ų | 105 | 39% | 0.394 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 176.7 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | Q15 H16 E17 E22 Q23 | Q15-V19 WeakPolarHBondContact O-CG2 3.44Å; Q15-V19 PolarHBondContact O-N 3.19Å; Q15-V19 VanDerWaalsContact O-N 3.09Å; H16-V19 PolarHBondContact O-N 2.84Å; E17-V19 PolarHBondContact O-N 2.93Å; V19-E22 PolarHBondContact O-N 3.13Å; V19-Q23 WeakPolarHBondContact O-CG 2.9Å; V19-Q23 PolarHBondContact O-N 3.3Å |
| 20 | L | 98.2 | Very high | 97.3 | Very high | 85 Ų | 85 | 108 Ų | 108 | 45% | 0.445 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 176.7 | -168.9 | 87.7 | 0 | 0 | 0 | 111.3 | H16 E17 L18 Q23 L24 | H16-L20 PolarHBondContact O-N 3.18Å; E17-L20 WeakPolarHBondContact O-CB 3.01Å; E17-L20 PolarHBondContact O-N 2.83Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.47Å; L20-Q23 PolarHBondContact O-N 2.78Å; L20-L24 HydrophobicContact CD2-CD1 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.37Å; L20-L24 WeakPolarHBondContact O-CG 3.2Å; L20-L24 PolarHBondContact O-N 2.88Å |
| 21 | Q | 97.9 | Very high | 97.4 | Very high | 101 Ų | 101 | 112.3 Ų | 112.3 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 178.6 | -74.4 | -178.4 | -4.1 | 0 | 0 | 112.1 | E17 L18 L24 L25 | E17-Q21 HydrophobicContact CG-CG 4.45Å; E17-Q21 WeakPolarHBondContact O-CG 3.44Å; E17-Q21 PolarHBondContact O-N 3.27Å; E17-Q21 PolarHBondContact OE1-NE2 3.46Å; L18-Q21 PolarHBondContact O-N 2.8Å; Q21-L24 PolarHBondContact O-N 3.46Å; Q21-L25 WeakPolarHBondContact O-CB 3.47Å; Q21-L25 PolarHBondContact O-N 3.27Å |
| 22 | E | 97.9 | Very high | 97.6 | Very high | 127 Ų | 127 | 110.6 Ų | 110.6 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 175.8 | -172.8 | 177 | -165.9 | 0 | 0 | 111.5 | L18 V19 L25 I26 | L18-E22 WeakPolarHBondContact O-CB 3.5Å; L18-E22 PolarHBondContact O-N 2.74Å; V19-E22 PolarHBondContact O-N 3.13Å; E22-L25 PolarHBondContact O-N 2.88Å; E22-I26 HydrophobicContact CG-CD1 4.33Å; E22-I26 WeakPolarHBondContact O-CG1 3.27Å; E22-I26 PolarHBondContact O-N 3.2Å; E22-I26 VanDerWaalsContact O-N 3.08Å |
| 23 | Q | 98 | Very high | 97.7 | Very high | 103 Ų | 103 | 108.8 Ų | 108.8 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 176.2 | -72.8 | 172.5 | 2.7 | 0 | 0 | 111.9 | V19 L20 L25 I26 E27 | V19-Q23 WeakPolarHBondContact O-CG 2.9Å; V19-Q23 PolarHBondContact O-N 3.3Å; L20-Q23 PolarHBondContact O-N 2.78Å; Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 3.07Å; Q23-I26 PolarHBondContact O-N 3.48Å; Q23-E27 WeakPolarHBondContact O-CG 3.49Å; Q23-E27 PolarHBondContact O-N 2.87Å |
| 24 | L | 98.1 | Very high | 97.8 | Very high | 92 Ų | 92 | 107.2 Ų | 107.2 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 177.9 | -72.1 | 171.3 | 0 | 0 | 0 | 112.4 | L20 Q21 E27 E28 | L20-L24 HydrophobicContact CD2-CD1 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.37Å; L20-L24 WeakPolarHBondContact O-CG 3.2Å; L20-L24 PolarHBondContact O-N 2.88Å; Q21-L24 PolarHBondContact O-N 3.46Å; L24-E27 PolarHBondContact O-N 3.39Å; L24-E28 WeakPolarHBondContact O-CB 3.41Å; L24-E28 PolarHBondContact O-N 3.45Å |
| 25 | L | 97.7 | Very high | 97.8 | Very high | 115 Ų | 115 | 109.7 Ų | 109.7 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 176.6 | -178.2 | 68 | 0 | 0 | 0 | 111.6 | Q21 E22 Q23 E28 Y29 | Q21-L25 WeakPolarHBondContact O-CB 3.47Å; Q21-L25 PolarHBondContact O-N 3.27Å; E22-L25 PolarHBondContact O-N 2.88Å; Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 3.07Å; L25-E28 PolarHBondContact O-N 3.34Å; L25-Y29 PolarHBondContact O-N 2.96Å |
| 26 | I | 97.9 | Very high | 97.7 | Very high | 84 Ų | 84 | 107.7 Ų | 107.7 | 43% | 0.431 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 176.1 | -66.2 | 166.4 | 0 | 0 | 0 | 110 | E22 Q23 E28 Y29 E30 | E22-I26 HydrophobicContact CG-CD1 4.33Å; E22-I26 WeakPolarHBondContact O-CG1 3.27Å; E22-I26 PolarHBondContact O-N 3.2Å; E22-I26 VanDerWaalsContact O-N 3.08Å; Q23-I26 PolarHBondContact O-N 3.48Å; I26-E28 VanDerWaalsContact C-N 3.31Å; I26-E28 PolarHBondContact O-N 3.49Å; I26-Y29 PolarHBondContact O-N 2.9Å; I26-Y29 VanDerWaalsContact O-N 3.16Å; I26-E30 HydrophobicContact CG2-CG 4.29Å; I26-E30 WeakPolarHBondContact O-CG 3.27Å; I26-E30 PolarHBondContact O-N 3.4Å |
| 27 | E | 98.1 | Very high | 97.6 | Very high | 98 Ų | 98 | 106.9 Ų | 106.9 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 178.6 | -73.7 | -179.7 | -173.8 | 0 | 0 | 112.9 | Q23 L24 R31 | Q23-E27 WeakPolarHBondContact O-CG 3.49Å; Q23-E27 PolarHBondContact O-N 2.87Å; L24-E27 PolarHBondContact O-N 3.39Å; E27-R31 VanDerWaalsContact O-CB 3.25Å; E27-R31 WeakPolarHBondContact O-CB 3.48Å; E27-R31 PolarHBondContact O-N 3.17Å |
| 28 | E | 98 | Very high | 97.4 | Very high | 135 Ų | 135 | 106.8 Ų | 106.8 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 174.8 | -176.3 | 178.3 | -168.7 | 0 | 0 | 111.1 | L24 L25 I26 R31 S32 | L24-E28 WeakPolarHBondContact O-CB 3.41Å; L24-E28 PolarHBondContact O-N 3.45Å; L25-E28 PolarHBondContact O-N 3.34Å; I26-E28 VanDerWaalsContact C-N 3.31Å; I26-E28 PolarHBondContact O-N 3.49Å; E28-R31 PolarHBondContact O-N 3.43Å; E28-S32 PolarHBondContact O-N 3.16Å |
| 29 | Y | 97.7 | Very high | 97.1 | Very high | 154 Ų | 154 | 104.9 Ų | 104.9 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 178.5 | -178.3 | -102.6 | 0 | 0 | 0 | 112.1 | L25 I26 R31 S32 L33 | L25-Y29 PolarHBondContact O-N 2.96Å; I26-Y29 PolarHBondContact O-N 2.9Å; I26-Y29 VanDerWaalsContact O-N 3.16Å; Y29-R31 VanDerWaalsContact C-N 3.29Å; Y29-R31 PolarHBondContact O-N 2.93Å; Y29-S32 WeakPolarHBondContact O-CB 3.28Å; Y29-S32 PolarHBondContact O-N 3.17Å; Y29-L33 HydrophobicContact CD1-CD1 3.83Å; Y29-L33 HydrophobicContact CD1-CG 4.34Å; Y29-L33 HydrophobicContact CE1-CD1 3.26Å; Y29-L33 HydrophobicContact CE1-CG 3.92Å; Y29-L33 PolarHBondContact O-N 3.15Å |
| 30 | E | 98.1 | Very high | 96.8 | Very high | 116 Ų | 116 | 106.7 Ų | 106.7 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 176.8 | -72.9 | -179.7 | 167.8 | 0 | 0 | 111.6 | I26 L33 Q34 | I26-E30 HydrophobicContact CG2-CG 4.29Å; I26-E30 WeakPolarHBondContact O-CG 3.27Å; I26-E30 PolarHBondContact O-N 3.4Å; E30-L33 PolarHBondContact O-N 3.37Å; E30-Q34 WeakPolarHBondContact O-CB 3.2Å; E30-Q34 PolarHBondContact O-N 3.34Å |
| 31 | R | 97.8 | Very high | 96.2 | Very high | 168 Ų | 168 | 105.8 Ų | 105.8 | 63% | 0.634 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 175.5 | -171 | -171.6 | -45.8 | -135.5 | -1.1 | 112.4 | E27 E28 Y29 Q34 F35 | E27-R31 VanDerWaalsContact O-CB 3.25Å; E27-R31 WeakPolarHBondContact O-CB 3.48Å; E27-R31 PolarHBondContact O-N 3.17Å; E28-R31 PolarHBondContact O-N 3.43Å; Y29-R31 VanDerWaalsContact C-N 3.29Å; Y29-R31 PolarHBondContact O-N 2.93Å; R31-Q34 PolarHBondContact O-N 2.98Å; R31-F35 PolarHBondContact O-N 3.12Å |
| 32 | S | 97.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 103.8 Ų | 103.8 | 44% | 0.441 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 175 | -169 | 0 | 0 | 0 | 0 | 111.1 | E28 Y29 Q34 F35 D36 | E28-S32 PolarHBondContact O-N 3.16Å; Y29-S32 WeakPolarHBondContact O-CB 3.28Å; Y29-S32 PolarHBondContact O-N 3.17Å; S32-Q34 PolarHBondContact O-N 3.34Å; S32-F35 WeakPolarHBondContact O-CB 3.41Å; S32-F35 PolarHBondContact O-N 2.6Å; S32-D36 PolarHBondContact O-N 3.49Å |
| 33 | L | 97.7 | Very high | 94.6 | Very high | 81 Ų | 81 | 103.9 Ų | 103.9 | 42% | 0.424 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 176.5 | -77.6 | 178.8 | 0 | 0 | 0 | 111.9 | Y29 E30 F35 D36 E37 | Y29-L33 HydrophobicContact CD1-CD1 3.83Å; Y29-L33 HydrophobicContact CD1-CG 4.34Å; Y29-L33 HydrophobicContact CE1-CD1 3.26Å; Y29-L33 HydrophobicContact CE1-CG 3.92Å; Y29-L33 PolarHBondContact O-N 3.15Å; E30-L33 PolarHBondContact O-N 3.37Å; L33-F35 VanDerWaalsContact C-N 3.29Å; L33-F35 PolarHBondContact O-N 3.36Å; L33-D36 PolarHBondContact O-N 3.32Å; L33-E37 WeakPolarHBondContact O-CB 3.07Å; L33-E37 PolarHBondContact O-N 3.2Å |
| 34 | Q | 97.8 | Very high | 93.5 | Very high | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 177.3 | -174.3 | -177.9 | -10.1 | 0 | 0 | 111 | E30 R31 S32 E37 E38 | E30-Q34 WeakPolarHBondContact O-CB 3.2Å; E30-Q34 PolarHBondContact O-N 3.34Å; R31-Q34 PolarHBondContact O-N 2.98Å; S32-Q34 PolarHBondContact O-N 3.34Å; Q34-E37 PolarHBondContact O-N 3.34Å; Q34-E38 HydrophobicContact CG-CG 4.44Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.27Å; Q34-E38 PolarHBondContact NE2-OE1 3.49Å; Q34-E38 WeakPolarHBondContact O-CB 2.94Å; Q34-E38 VanDerWaalsContact O-CG 3.27Å; Q34-E38 WeakPolarHBondContact O-CG 3.33Å; Q34-E38 PolarHBondContact O-N 2.84Å |
| 35 | F | 96.9 | Very high | 92.2 | Very high | 134 Ų | 134 | 105.5 Ų | 105.5 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 175.7 | 176.5 | -93.6 | 0 | 0 | 0 | 112.3 | R31 S32 L33 E37 E38 C39 | R31-F35 PolarHBondContact O-N 3.12Å; S32-F35 WeakPolarHBondContact O-CB 3.41Å; S32-F35 PolarHBondContact O-N 2.6Å; L33-F35 VanDerWaalsContact C-N 3.29Å; L33-F35 PolarHBondContact O-N 3.36Å; F35-E37 VanDerWaalsContact C-N 3.33Å; F35-E37 PolarHBondContact O-N 3.1Å; F35-E38 PolarHBondContact O-N 2.99Å; F35-C39 WeakPolarHBondContact O-CB 3.37Å; F35-C39 PolarHBondContact O-N 3.01Å |
| 36 | D | 95.9 | Very high | 90.4 | Very high | 89 Ų | 89 | 103.3 Ų | 103.3 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 178 | -71.9 | -18.6 | 0 | 0 | 0 | 111.4 | S32 L33 C39 L40 | S32-D36 PolarHBondContact O-N 3.49Å; L33-D36 PolarHBondContact O-N 3.32Å; D36-C39 PolarHBondContact O-N 3.25Å; D36-L40 WeakPolarHBondContact O-CB 3.48Å; D36-L40 PolarHBondContact O-N 2.93Å |
| 37 | E | 95.4 | Very high | 88.6 | Confident | 120 Ų | 120 | 104.6 Ų | 104.6 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.2 | -47.5 | 175 | -179.6 | 176.4 | -173.8 | 0 | 0 | 111.7 | L33 Q34 F35 C39 L40 N41 | L33-E37 WeakPolarHBondContact O-CB 3.07Å; L33-E37 PolarHBondContact O-N 3.2Å; Q34-E37 PolarHBondContact O-N 3.34Å; F35-E37 VanDerWaalsContact C-N 3.33Å; F35-E37 PolarHBondContact O-N 3.1Å; E37-C39 VanDerWaalsContact C-N 3.28Å; E37-C39 PolarHBondContact O-N 3.03Å; E37-L40 PolarHBondContact O-N 2.88Å; E37-N41 WeakPolarHBondContact O-CB 3.45Å; E37-N41 VanDerWaalsContact O-CG 3.26Å; E37-N41 PolarHBondContact O-N 3.06Å; E37-N41 PolarHBondContact O-ND2 3.34Å |
| 38 | E | 93.2 | Very high | 86.6 | Confident | 104 Ų | 104 | 106.4 Ų | 106.4 | 49% | 0.486 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 176.3 | -75.9 | 174.7 | -170.7 | 0 | 0 | 111.6 | Q34 F35 N41 A42 | Q34-E38 HydrophobicContact CG-CG 4.44Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.27Å; Q34-E38 PolarHBondContact NE2-OE1 3.49Å; Q34-E38 WeakPolarHBondContact O-CB 2.94Å; Q34-E38 VanDerWaalsContact O-CG 3.27Å; Q34-E38 WeakPolarHBondContact O-CG 3.33Å; Q34-E38 PolarHBondContact O-N 2.84Å; F35-E38 PolarHBondContact O-N 2.99Å; E38-N41 PolarHBondContact O-N 3.45Å; E38-A42 WeakPolarHBondContact O-CB 3.42Å; E38-A42 PolarHBondContact O-N 3Å |
| 39 | C | 91.1 | Very high | 84.5 | Confident | 61 Ų | 61 | 101.9 Ų | 101.9 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 175.6 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | F35 D36 E37 N41 A42 M43 | F35-C39 WeakPolarHBondContact O-CB 3.37Å; F35-C39 PolarHBondContact O-N 3.01Å; D36-C39 PolarHBondContact O-N 3.25Å; E37-C39 VanDerWaalsContact C-N 3.28Å; E37-C39 PolarHBondContact O-N 3.03Å; C39-N41 PolarHBondContact O-N 2.96Å; C39-A42 PolarHBondContact O-N 2.96Å; C39-M43 WeakPolarHBondContact O-CG 3.39Å; C39-M43 PolarHBondContact O-N 2.93Å |
| 40 | L | 91.1 | Very high | 82.6 | Confident | 103 Ų | 103 | 98 Ų | 98 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 176.8 | -176.2 | 69.3 | 0 | 0 | 0 | 111.2 | D36 E37 A42 M43 L44 | D36-L40 WeakPolarHBondContact O-CB 3.48Å; D36-L40 PolarHBondContact O-N 2.93Å; E37-L40 PolarHBondContact O-N 2.88Å; L40-A42 PolarHBondContact O-N 3.24Å; L40-M43 WeakPolarHBondContact O-CB 3.17Å; L40-M43 PolarHBondContact O-N 3.19Å; L40-L44 HydrophobicContact CG-CD1 4.47Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 3.18Å |
| 41 | N | 85.6 | Confident | 81.1 | Confident | 67 Ų | 67 | 98.2 Ų | 98.2 | 36% | 0.358 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 177.8 | -73.3 | -26.2 | 0 | 0 | 0 | 111.3 | E37 E38 C39 M43 L44 D45 | E37-N41 WeakPolarHBondContact O-CB 3.45Å; E37-N41 VanDerWaalsContact O-CG 3.26Å; E37-N41 PolarHBondContact O-N 3.06Å; E37-N41 PolarHBondContact O-ND2 3.34Å; E38-N41 PolarHBondContact O-N 3.45Å; C39-N41 PolarHBondContact O-N 2.96Å; N41-M43 VanDerWaalsContact C-N 3.31Å; N41-M43 PolarHBondContact O-N 2.99Å; N41-L44 CarbonylContact O-C 3.55Å; N41-L44 WeakPolarHBondContact O-CA 3.28Å; N41-L44 WeakPolarHBondContact O-CB 3.34Å; N41-L44 PolarHBondContact O-N 3.32Å; N41-L44 VanDerWaalsContact O-N 3.1Å; N41-D45 VanDerWaalsContact O-CG 3.3Å; N41-D45 PolarHBondContact O-N 2.89Å |
| 42 | A | 84.7 | Confident | 80.2 | Confident | 59 Ų | 59 | 95.6 Ų | 95.6 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E38 C39 L40 D45 G46 | E38-A42 WeakPolarHBondContact O-CB 3.42Å; E38-A42 PolarHBondContact O-N 3Å; C39-A42 PolarHBondContact O-N 2.96Å; L40-A42 PolarHBondContact O-N 3.24Å; A42-D45 PolarHBondContact O-N 3.48Å; A42-G46 PolarHBondContact O-N 3.49Å |
| 43 | M | 78.8 | Confident | 79.8 | Confident | 129 Ų | 129 | 93.4 Ų | 93.4 | 64% | 0.635 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.1 | -39.8 | 172.4 | -68.7 | 178.5 | 76.8 | 0 | 0 | 111.6 | C39 L40 N41 L47 | C39-M43 WeakPolarHBondContact O-CG 3.39Å; C39-M43 PolarHBondContact O-N 2.93Å; L40-M43 WeakPolarHBondContact O-CB 3.17Å; L40-M43 PolarHBondContact O-N 3.19Å; N41-M43 VanDerWaalsContact C-N 3.31Å; N41-M43 PolarHBondContact O-N 2.99Å; M43-L47 WeakPolarHBondContact O-CD1 3.45Å; M43-L47 WeakPolarHBondContact O-CG 3.07Å; M43-L47 PolarHBondContact O-N 3.37Å; M43-L47 VanDerWaalsContact O-N 3.16Å |
| 44 | L | 74.8 | Confident | 79.4 | Confident | 98 Ų | 98 | 94.8 Ų | 94.8 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 174.4 | -68.4 | 174.6 | 0 | 0 | 0 | 112.2 | L40 N41 L47 | L40-L44 HydrophobicContact CG-CD1 4.47Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 3.18Å; N41-L44 CarbonylContact O-C 3.55Å; N41-L44 WeakPolarHBondContact O-CA 3.28Å; N41-L44 WeakPolarHBondContact O-CB 3.34Å; N41-L44 PolarHBondContact O-N 3.32Å; N41-L44 VanDerWaalsContact O-N 3.1Å; L44-L47 HydrophobicContact CD2-CD1 4.45Å; L44-L47 CarbonylContact O-C 3.35Å; L44-L47 WeakPolarHBondContact O-CA 3.39Å; L44-L47 VanDerWaalsContact O-CB 3.28Å; L44-L47 WeakPolarHBondContact O-CB 3.33Å; L44-L47 PolarHBondContact O-N 3.39Å; L44-L47 VanDerWaalsContact O-N 3.15Å |
| 45 | D | 71.1 | Confident | 79.1 | Confident | 130 Ų | 130 | 89.7 Ų | 89.7 | 70% | 0.695 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.6 | -36 | 177 | -69.7 | -22.6 | 0 | 0 | 0 | 111.7 | N41 A42 L47 D48 | N41-D45 VanDerWaalsContact O-CG 3.3Å; N41-D45 PolarHBondContact O-N 2.89Å; A42-D45 PolarHBondContact O-N 3.48Å; D45-L47 PolarHBondContact O-N 2.9Å; D45-D48 PolarHBondContact O-N 3.5Å |
| 46 | G | 60.3 | Low | 78.9 | Confident | 69 Ų | 69 | 84.1 Ų | 84.1 | 71% | 0.711 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.6 | -22.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A42 D48 | A42-G46 PolarHBondContact O-N 3.49Å; G46-D48 PolarHBondContact O-N 2.79Å; G46-D48 VanDerWaalsContact O-N 3.17Å |
| 47 | L | 59.3 | Low | 78.7 | Confident | 111 Ų | 111 | 82.6 Ų | 82.6 | 58% | 0.581 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -83 | 62.3 | 163.5 | -70.6 | 152.9 | 0 | 0 | 0 | 109 | M43 L44 D45 A49 | M43-L47 WeakPolarHBondContact O-CD1 3.45Å; M43-L47 WeakPolarHBondContact O-CG 3.07Å; M43-L47 PolarHBondContact O-N 3.37Å; M43-L47 VanDerWaalsContact O-N 3.16Å; L44-L47 HydrophobicContact CD2-CD1 4.45Å; L44-L47 CarbonylContact O-C 3.35Å; L44-L47 WeakPolarHBondContact O-CA 3.39Å; L44-L47 VanDerWaalsContact O-CB 3.28Å; L44-L47 WeakPolarHBondContact O-CB 3.33Å; L44-L47 PolarHBondContact O-N 3.39Å; L44-L47 VanDerWaalsContact O-N 3.15Å; D45-L47 PolarHBondContact O-N 2.9Å; L47-A49 HydrophobicContact CB-CB 4.23Å; L47-A49 WeakPolarHBondContact O-CA 3.35Å; L47-A49 WeakPolarHBondContact O-CB 3.39Å; L47-A49 PolarHBondContact O-N 3.48Å |
| 48 | D | 55.8 | Low | 78.6 | Confident | 136 Ų | 136 | 78.3 Ų | 78.3 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | trans | -56.8 | 74.4 | 166.9 | -172.1 | 30.5 | 0 | 0 | 0 | 109.9 | D45 G46 K52 | D45-D48 PolarHBondContact O-N 3.5Å; G46-D48 PolarHBondContact O-N 2.79Å; G46-D48 VanDerWaalsContact O-N 3.17Å; D48-K52 PolarHBondContact O-NZ 2.92Å; D48-K52 VanDerWaalsContact O-NZ 3.13Å | ||
| 49 | A | 53.8 | Low | 78.4 | Confident | 40 Ų | 40 | 80.7 Ų | 80.7 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | trans | -136.8 | 21.4 | -157.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L47 D51 K52 | L47-A49 HydrophobicContact CB-CB 4.23Å; L47-A49 WeakPolarHBondContact O-CA 3.35Å; L47-A49 WeakPolarHBondContact O-CB 3.39Å; L47-A49 PolarHBondContact O-N 3.48Å; A49-D51 PolarHBondContact O-N 3.1Å; A49-K52 PolarHBondContact O-N 2.95Å | ||
| 50 | G | 57.6 | Low | 78.2 | Confident | 73 Ų | 73 | 86.5 Ų | 86.5 | 75% | 0.753 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -24.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 51 | D | 66 | Low | 78.1 | Confident | 121 Ų | 121 | 84 Ų | 84 | 65% | 0.647 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | 7.8 | -177.7 | -92 | -32.1 | 0 | 0 | 0 | 116.3 | A49 R89 | A49-D51 PolarHBondContact O-N 3.1Å; D51-R89 VanDerWaalsContact CA-NH2 3.35Å; D51-R89 PolarHBondContact O-NH2 2.86Å |
| 52 | K | 80.4 | Confident | 78.3 | Confident | 112 Ų | 112 | 83.9 Ų | 83.9 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -93 | 133.7 | -179.6 | -64 | 175.8 | -170.8 | 147.5 | 0 | 111 | D48 A49 N62 | D48-K52 PolarHBondContact O-NZ 2.92Å; D48-K52 VanDerWaalsContact O-NZ 3.13Å; A49-K52 PolarHBondContact O-N 2.95Å; K52-N62 HydrophobicContact CB-CB 4.25Å |
| 53 | I | 87.8 | Confident | 78.6 | Confident | 17 Ų | 17 | 81.6 Ų | 81.6 | 9% | 0.087 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.7 | 178 | -56 | 170.8 | 0 | 0 | 0 | 108 | C55 N62 L63 E85 L88 R89 L92 | I53-C55 PolarHBondContact O-N 3.18Å; I53-N62 CarbonylContact O-C 3.55Å; I53-N62 VanDerWaalsContact O-CA 3.27Å; I53-N62 WeakPolarHBondContact O-CA 3.48Å; I53-L63 HydrophobicContact CB-CB 4.37Å; I53-L63 HydrophobicContact CG2-CD1 3.88Å; I53-L63 PolarHBondContact O-N 3.09Å; I53-E85 WeakPolarHBondContact CD1-O 3.43Å; I53-L88 HydrophobicContact CD1-CB 4.08Å; I53-L88 HydrophobicContact CD1-CD2 3.96Å; I53-L88 HydrophobicContact CD1-CG 3.91Å; I53-R89 HydrophobicContact CD1-CB 3.83Å; I53-R89 HydrophobicContact CG1-CB 4.28Å; I53-L92 HydrophobicContact CG2-CD1 3.64Å |
| 54 | I | 89.9 | Confident | 79.2 | Confident | 110 Ų | 110 | 77.6 Ų | 77.6 | 56% | 0.564 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 133.5 | 175.6 | -60.3 | 174.2 | 0 | 0 | 0 | 109 | P56 | I54-P56 WeakPolarHBondContact O-CD 3.36Å |
| 55 | C | 91.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 119.7 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | I53 V57 R59 N61 L63 C72 | I53-C55 PolarHBondContact O-N 3.18Å; C55-V57 PolarHBondContact O-N 3.27Å; C55-R59 VanDerWaalsContact O-CA 3.28Å; C55-R59 WeakPolarHBondContact O-CA 3.4Å; C55-R59 PolarHBondContact O-N 3.08Å; C55-N61 WeakPolarHBondContact CB-O 3.05Å; C55-N61 PolarHBondContact N-O 3.19Å; C55-L63 HydrophobicContact CB-CD2 4Å; C55-L63 HydrophobicContact CB-CG 3.94Å; C55-C72 HydrophobicContact CB-CB 4.17Å; C55-C72 WeakPolarHBondContact CB-SG 3.42Å |
| 56 | P | 91.8 | Very high | 80.7 | Confident | 18 Ų | 18 | 75.9 Ų | 75.9 | 12% | 0.117 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19 | -173.2 | 31.1 | -36.7 | 0 | 0 | 0 | 112.9 | I54 L92 F109 L121 | I54-P56 WeakPolarHBondContact O-CD 3.36Å; P56-L92 HydrophobicContact CG-CD2 4.23Å; P56-F109 HydrophobicContact CB-CB 3.96Å; P56-F109 HydrophobicContact CB-CD1 3.85Å; P56-F109 HydrophobicContact CB-CD2 3.61Å; P56-F109 HydrophobicContact CB-CE1 4.16Å; P56-F109 HydrophobicContact CB-CE2 3.95Å; P56-F109 HydrophobicContact CB-CG 3.55Å; P56-F109 HydrophobicContact CB-CZ 4.21Å; P56-F109 HydrophobicContact CG-CB 4.21Å; P56-F109 HydrophobicContact CG-CD1 3.92Å; P56-F109 HydrophobicContact CG-CE1 4.36Å; P56-F109 HydrophobicContact CG-CG 3.99Å; P56-L121 HydrophobicContact CG-CD2 4.2Å |
| 57 | V | 92.7 | Very high | 81.9 | Confident | 57 Ų | 57 | 79.6 Ų | 79.6 | 35% | 0.345 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -51.4 | 177.3 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | C55 L76 F109 V111 L121 | C55-V57 PolarHBondContact O-N 3.27Å; V57-L76 HydrophobicContact CB-CD1 4.39Å; V57-L76 HydrophobicContact CG2-CD1 3.66Å; V57-F109 HydrophobicContact CG2-CB 4.12Å; V57-V111 HydrophobicContact CG2-CG2 4.26Å; V57-L121 HydrophobicContact CG2-CD1 3.97Å |
| 58 | C | 92.2 | Very high | 83.1 | Confident | 29 Ų | 29 | 78.7 Ų | 78.7 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -18.1 | -176 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | K60 N61 C74 | C58-K60 WeakPolarHBondContact O-CG 3.28Å; C58-K60 PolarHBondContact O-N 2.87Å; C58-N61 PolarHBondContact SG-N 3.37Å; C58-C74 HydrophobicContact CB-CB 3.44Å; C58-C74 VanDerWaalsContact CB-CB 3.44Å |
| 59 | R | 89.4 | Confident | 84.7 | Confident | 155 Ų | 155 | 74 Ų | 74 | 59% | 0.585 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 52 | 24.8 | -178.2 | -55 | -177.1 | -176.9 | 160.6 | -1.9 | 114.5 | C55 P107 | C55-R59 VanDerWaalsContact O-CA 3.28Å; C55-R59 WeakPolarHBondContact O-CA 3.4Å; C55-R59 PolarHBondContact O-N 3.08Å; R59-P107 PolarHBondContact NH2-O 2.93Å |
| 60 | K | 87.6 | Confident | 86.5 | Confident | 182 Ų | 182 | 72.1 Ų | 72.1 | 79% | 0.791 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -128.7 | -45.2 | -174 | -74.5 | 176.4 | -176.7 | -176.4 | 0 | 112.9 | C58 | C58-K60 WeakPolarHBondContact O-CG 3.28Å; C58-K60 PolarHBondContact O-N 2.87Å |
| 61 | N | 89.1 | Confident | 88.1 | Confident | 50 Ų | 50 | 71.8 Ų | 71.8 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -105.7 | 158 | -176.5 | -63.4 | -49.6 | 0 | 0 | 0 | 110.3 | C55 C58 C72 Q73 | C55-N61 WeakPolarHBondContact CB-O 3.05Å; C55-N61 PolarHBondContact N-O 3.19Å; C58-N61 PolarHBondContact SG-N 3.37Å; N61-C72 WeakPolarHBondContact CB-SG 3.34Å; N61-Q73 HydrophobicContact CB-CB 4.39Å |
| 62 | N | 90.6 | Very high | 89.4 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 35% | 0.353 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 147.2 | 173.4 | -62.3 | -54.5 | 0 | 0 | 0 | 111.3 | K52 I53 | K52-N62 HydrophobicContact CB-CB 4.25Å; I53-N62 CarbonylContact O-C 3.55Å; I53-N62 VanDerWaalsContact O-CA 3.27Å; I53-N62 WeakPolarHBondContact O-CA 3.48Å |
| 63 | L | 90.9 | Very high | 89.9 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 148.6 | 164.9 | -67.3 | 166.7 | 0 | 0 | 0 | 109.2 | I53 C55 V70 C72 L76 L88 L92 | I53-L63 HydrophobicContact CB-CB 4.37Å; I53-L63 HydrophobicContact CG2-CD1 3.88Å; I53-L63 PolarHBondContact O-N 3.09Å; C55-L63 HydrophobicContact CB-CD2 4Å; C55-L63 HydrophobicContact CB-CG 3.94Å; L63-V70 HydrophobicContact CB-CG1 4.37Å; L63-V70 HydrophobicContact CD1-CG1 4.46Å; L63-V70 HydrophobicContact CD2-CG1 3.87Å; L63-V70 HydrophobicContact CG-CG1 4.46Å; L63-C72 HydrophobicContact CD2-CB 3.98Å; L63-L76 HydrophobicContact CD2-CD1 4.32Å; L63-L76 HydrophobicContact CD2-CD2 3.79Å; L63-L88 HydrophobicContact CB-CD2 4.39Å; L63-L88 HydrophobicContact CD1-CD2 4.14Å; L63-L92 HydrophobicContact CD1-CD1 4.24Å |
| 64 | T | 90.4 | Very high | 90 | Very high | 45 Ų | 45 | 71 Ų | 71 | 28% | 0.276 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133 | 173.3 | -61 | 0 | 0 | 0 | 0 | 108 | R66 V70 F71 | T64-R66 HydrophobicContact CG2-CG 4Å; T64-V70 WeakPolarHBondContact O-CA 3.22Å; T64-F71 HydrophobicContact CG2-CE1 3.89Å; T64-F71 HydrophobicContact CG2-CE2 4.13Å; T64-F71 HydrophobicContact CG2-CZ 3.48Å; T64-F71 VanDerWaalsContact CG2-CZ 3.48Å; T64-F71 PolarHBondContact N-O 2.9Å; T64-F71 PolarHBondContact O-N 2.89Å |
| 65 | V | 90.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119 | 173.8 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | L69 V70 E85 L88 | V65-L69 CarbonylContact C-O 3.51Å; V65-L69 VanDerWaalsContact CA-O 3.27Å; V65-L69 WeakPolarHBondContact CA-O 3.5Å; V65-V70 HydrophobicContact CG2-CG2 4.16Å; V65-E85 HydrophobicContact CB-CG 3.61Å; V65-E85 HydrophobicContact CG2-CB 4.46Å; V65-E85 HydrophobicContact CG2-CG 3.7Å; V65-L88 HydrophobicContact CG2-CD2 3.62Å |
| 66 | R | 88.1 | Confident | 89.8 | Confident | 172 Ų | 172 | 69.3 Ų | 69.3 | 65% | 0.649 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 133.7 | 172.8 | -68.8 | -178.5 | 179.1 | -175.3 | -2 | 109.9 | T64 H68 L69 F71 | T64-R66 HydrophobicContact CG2-CG 4Å; R66-H68 PolarHBondContact O-N 3.32Å; R66-L69 PolarHBondContact N-O 3.27Å; R66-L69 WeakPolarHBondContact O-CB 3.5Å; R66-L69 PolarHBondContact O-N 2.67Å; R66-F71 HydrophobicContact CB-CE1 4.08Å; R66-F71 HydrophobicContact CG-CE1 4.19Å; R66-F71 HydrophobicContact CG-CZ 4.43Å |
| 67 | N | 84.4 | Confident | 89.7 | Confident | 147 Ų | 147 | 75.2 Ų | 75.2 | 79% | 0.786 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 41 | 178.3 | -56.8 | -16.8 | 0 | 0 | 0 | 112.9 | L69 | N67-L69 WeakPolarHBondContact O-CD1 3.45Å; N67-L69 PolarHBondContact O-N 3.26Å |
| 68 | H | 85.1 | Confident | 89.6 | Confident | 91 Ų | 91 | 72.5 Ų | 72.5 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 12.7 | -176.5 | -40.9 | -69.7 | 0 | 0 | 0 | 115.9 | R66 T80 M83 | R66-H68 PolarHBondContact O-N 3.32Å; H68-T80 WeakPolarHBondContact CB-O 3.09Å; H68-T80 PolarHBondContact O-N 2.67Å; H68-T80 PolarHBondContact O-OG1 2.82Å; H68-T80 VanDerWaalsContact O-OG1 3.1Å; H68-M83 PolarHBondContact ND1-O 3.28Å |
| 69 | L | 88.4 | Confident | 89.3 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 19% | 0.194 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 135.5 | 169.3 | -83.9 | 91.2 | 0 | 0 | 0 | 111.8 | V65 R66 N67 Y77 I78 | V65-L69 CarbonylContact C-O 3.51Å; V65-L69 VanDerWaalsContact CA-O 3.27Å; V65-L69 WeakPolarHBondContact CA-O 3.5Å; R66-L69 PolarHBondContact N-O 3.27Å; R66-L69 WeakPolarHBondContact O-CB 3.5Å; R66-L69 PolarHBondContact O-N 2.67Å; N67-L69 WeakPolarHBondContact O-CD1 3.45Å; N67-L69 PolarHBondContact O-N 3.26Å; L69-Y77 HydrophobicContact CD2-CD1 4.3Å; L69-Y77 HydrophobicContact CD2-CD2 4.32Å; L69-Y77 HydrophobicContact CD2-CE1 3.45Å; L69-Y77 VanDerWaalsContact CD2-CE1 3.45Å; L69-Y77 HydrophobicContact CD2-CE2 3.47Å; L69-Y77 VanDerWaalsContact CD2-CE2 3.47Å; L69-Y77 WeakPolarHBondContact CD2-OH 3.4Å; L69-I78 WeakPolarHBondContact CA-O 3.45Å |
| 70 | V | 91.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.4 | 173.4 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | L63 T64 V65 L76 Y77 I78 M83 L88 L135 | L63-V70 HydrophobicContact CB-CG1 4.37Å; L63-V70 HydrophobicContact CD1-CG1 4.46Å; L63-V70 HydrophobicContact CD2-CG1 3.87Å; L63-V70 HydrophobicContact CG-CG1 4.46Å; T64-V70 WeakPolarHBondContact O-CA 3.22Å; V65-V70 HydrophobicContact CG2-CG2 4.16Å; V70-L76 HydrophobicContact CG1-CD2 4.22Å; V70-Y77 CarbonylContact O-C 3.59Å; V70-Y77 WeakPolarHBondContact O-CA 3.18Å; V70-I78 HydrophobicContact CB-CB 4.41Å; V70-I78 PolarHBondContact N-O 3.38Å; V70-I78 PolarHBondContact O-N 3.39Å; V70-M83 HydrophobicContact CG2-CG 3.91Å; V70-L88 HydrophobicContact CB-CD2 4.48Å; V70-L88 HydrophobicContact CG1-CD2 3.6Å; V70-L88 HydrophobicContact CG2-CD2 4.03Å; V70-L135 HydrophobicContact CG2-CD1 4.37Å |
| 71 | F | 92.2 | Very high | 88.7 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 160.2 | 178.1 | 63.5 | -85.9 | 0 | 0 | 0 | 113.3 | T64 R66 L76 Y77 | T64-F71 HydrophobicContact CG2-CE1 3.89Å; T64-F71 HydrophobicContact CG2-CE2 4.13Å; T64-F71 HydrophobicContact CG2-CZ 3.48Å; T64-F71 VanDerWaalsContact CG2-CZ 3.48Å; T64-F71 PolarHBondContact N-O 2.9Å; T64-F71 PolarHBondContact O-N 2.89Å; R66-F71 HydrophobicContact CB-CE1 4.08Å; R66-F71 HydrophobicContact CG-CE1 4.19Å; R66-F71 HydrophobicContact CG-CZ 4.43Å; F71-L76 CarbonylContact C-O 3.59Å; F71-L76 WeakPolarHBondContact CA-O 3.43Å; F71-L76 WeakPolarHBondContact CB-O 3.43Å; F71-Y77 HydrophobicContact CB-CD2 4.01Å |
| 72 | C | 92.7 | Very high | 88.4 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 6% | 0.061 | 37% | 0.367 | C | S | . | . | trans | -140.1 | 151.2 | 178.4 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | C55 N61 L63 C74 G75 L76 | C55-C72 HydrophobicContact CB-CB 4.17Å; C55-C72 WeakPolarHBondContact CB-SG 3.42Å; N61-C72 WeakPolarHBondContact CB-SG 3.34Å; L63-C72 HydrophobicContact CD2-CB 3.98Å; C72-C74 PolarHBondContact O-N 3.39Å; C72-G75 PolarHBondContact O-N 2.98Å; C72-L76 HydrophobicContact CB-CB 3.95Å; C72-L76 PolarHBondContact N-O 3.5Å | ||
| 73 | Q | 90.8 | Very high | 88.2 | Confident | 170 Ų | 170 | 68.2 Ų | 68.2 | 79% | 0.794 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -12.2 | 175.4 | -61.5 | 179 | 38.4 | 0 | 0 | 114 | N61 G75 | N61-Q73 HydrophobicContact CB-CB 4.39Å; Q73-G75 PolarHBondContact O-N 3.49Å |
| 74 | C | 90.3 | Very high | 88.2 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -3.2 | 171.7 | 73.6 | 0 | 0 | 0 | 0 | 114 | C58 C72 | C58-C74 HydrophobicContact CB-CB 3.44Å; C58-C74 VanDerWaalsContact CB-CB 3.44Å; C72-C74 PolarHBondContact O-N 3.39Å |
| 75 | G | 87.9 | Confident | 88.1 | Confident | 64 Ų | 64 | 72.6 Ų | 72.6 | 66% | 0.66 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 96.9 | 4.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | C72 Q73 Y77 | C72-G75 PolarHBondContact O-N 2.98Å; Q73-G75 PolarHBondContact O-N 3.49Å; G75-Y77 PolarHBondContact O-N 3.24Å |
| 76 | L | 89.9 | Confident | 88 | Confident | 9 Ų | 9 | 79 Ų | 79 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | trans | -66.5 | 131.1 | 168.7 | 178.6 | 155 | 0 | 0 | 0 | 108.9 | V57 L63 V70 F71 C72 I78 V111 L121 | V57-L76 HydrophobicContact CB-CD1 4.39Å; V57-L76 HydrophobicContact CG2-CD1 3.66Å; L63-L76 HydrophobicContact CD2-CD1 4.32Å; L63-L76 HydrophobicContact CD2-CD2 3.79Å; V70-L76 HydrophobicContact CG1-CD2 4.22Å; F71-L76 CarbonylContact C-O 3.59Å; F71-L76 WeakPolarHBondContact CA-O 3.43Å; F71-L76 WeakPolarHBondContact CB-O 3.43Å; C72-L76 HydrophobicContact CB-CB 3.95Å; C72-L76 PolarHBondContact N-O 3.5Å; L76-I78 HydrophobicContact CD1-CD1 4.23Å; L76-I78 HydrophobicContact CD2-CD1 3.95Å; L76-I78 HydrophobicContact CD2-CG1 3.99Å; L76-I78 HydrophobicContact CG-CD1 4.09Å; L76-I78 HydrophobicContact CG-CG1 4.24Å; L76-V111 HydrophobicContact CB-CG2 4.36Å; L76-V111 HydrophobicContact CD1-CG2 3.8Å; L76-V111 HydrophobicContact CG-CG2 3.87Å; L76-L121 HydrophobicContact CD1-CD1 4.27Å | ||
| 77 | Y | 90.1 | Very high | 88 | Confident | 142 Ų | 142 | 75.2 Ų | 75.2 | 56% | 0.557 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 118.3 | 178.2 | -172.1 | -91.6 | 0 | 0 | 0 | 108.1 | L69 V70 F71 G75 T119 | L69-Y77 HydrophobicContact CD2-CD1 4.3Å; L69-Y77 HydrophobicContact CD2-CD2 4.32Å; L69-Y77 HydrophobicContact CD2-CE1 3.45Å; L69-Y77 VanDerWaalsContact CD2-CE1 3.45Å; L69-Y77 HydrophobicContact CD2-CE2 3.47Å; L69-Y77 VanDerWaalsContact CD2-CE2 3.47Å; L69-Y77 WeakPolarHBondContact CD2-OH 3.4Å; V70-Y77 CarbonylContact O-C 3.59Å; V70-Y77 WeakPolarHBondContact O-CA 3.18Å; F71-Y77 HydrophobicContact CB-CD2 4.01Å; G75-Y77 PolarHBondContact O-N 3.24Å; Y77-T119 WeakPolarHBondContact O-CB 3.42Å; Y77-T119 PolarHBondContact O-OG1 3.27Å |
| 78 | I | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 124.7 | -174.9 | -57.9 | 175.2 | 0 | 0 | 0 | 108.3 | L69 V70 L76 T80 T119 L121 L135 | L69-I78 WeakPolarHBondContact CA-O 3.45Å; V70-I78 HydrophobicContact CB-CB 4.41Å; V70-I78 PolarHBondContact N-O 3.38Å; V70-I78 PolarHBondContact O-N 3.39Å; L76-I78 HydrophobicContact CD1-CD1 4.23Å; L76-I78 HydrophobicContact CD2-CD1 3.95Å; L76-I78 HydrophobicContact CD2-CG1 3.99Å; L76-I78 HydrophobicContact CG-CD1 4.09Å; L76-I78 HydrophobicContact CG-CG1 4.24Å; I78-T80 HydrophobicContact CG2-CG2 3.63Å; I78-T119 WeakPolarHBondContact CA-OG1 3.31Å; I78-T119 WeakPolarHBondContact CG2-O 3.3Å; I78-L121 HydrophobicContact CD1-CB 3.71Å; I78-L135 HydrophobicContact CD1-CD1 4.11Å; I78-L135 HydrophobicContact CG2-CB 3.87Å; I78-L135 HydrophobicContact CG2-CD1 4.15Å |
| 79 | S | 86.4 | Confident | 88.6 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 56% | 0.559 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.9 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 80 | T | 81.6 | Confident | 88.7 | Confident | 14 Ų | 14 | 67.1 Ų | 67.1 | 9% | 0.086 | 35% | 0.351 | C | S | . | . | trans | -138.4 | 141.8 | -175.3 | 49 | 0 | 0 | 0 | 0 | 109.4 | H68 I78 M83 L135 | H68-T80 WeakPolarHBondContact CB-O 3.09Å; H68-T80 PolarHBondContact O-N 2.67Å; H68-T80 PolarHBondContact O-OG1 2.82Å; H68-T80 VanDerWaalsContact O-OG1 3.1Å; I78-T80 HydrophobicContact CG2-CG2 3.63Å; T80-M83 HydrophobicContact CG2-CE 4.23Å; T80-M83 WeakPolarHBondContact OG1-CB 3.37Å; T80-M83 WeakPolarHBondContact OG1-CG 3.34Å; T80-L135 HydrophobicContact CG2-CB 3.88Å; T80-L135 HydrophobicContact CG2-CD1 4.48Å; T80-L135 HydrophobicContact CG2-CD2 4.2Å; T80-L135 HydrophobicContact CG2-CG 4.43Å | ||
| 81 | Q | 82 | Confident | 88.7 | Confident | 172 Ų | 172 | 68.9 Ų | 68.9 | 80% | 0.804 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 135.1 | 177 | -64.1 | -178.1 | 8.1 | 0 | 0 | 110.6 | M83 | Q81-M83 VanDerWaalsContact C-N 3.27Å; Q81-M83 PolarHBondContact O-N 2.87Å |
| 82 | D | 82.4 | Confident | 88.7 | Confident | 114 Ų | 114 | 66.3 Ų | 66.3 | 61% | 0.61 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 39.2 | 174.8 | -58.5 | -40.7 | 0 | 0 | 0 | 114.7 | K87 | D82-K87 PolarHBondContact O-NZ 3.01Š|
| 83 | M | 88 | Confident | 88.6 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 6% | 0.064 | 37% | 0.37 | C | S | . | . | trans | -88.4 | 132.9 | 176.5 | -168 | 61.4 | 60.2 | 0 | 0 | 111.8 | H68 V70 T80 Q81 K87 L88 L135 | H68-M83 PolarHBondContact ND1-O 3.28Å; V70-M83 HydrophobicContact CG2-CG 3.91Å; T80-M83 HydrophobicContact CG2-CE 4.23Å; T80-M83 WeakPolarHBondContact OG1-CB 3.37Å; T80-M83 WeakPolarHBondContact OG1-CG 3.34Å; Q81-M83 VanDerWaalsContact C-N 3.27Å; Q81-M83 PolarHBondContact O-N 2.87Å; M83-K87 HydrophobicContact CE-CD 4.45Å; M83-K87 HydrophobicContact SD-CB 4.03Å; M83-K87 HydrophobicContact SD-CD 4.09Å; M83-K87 HydrophobicContact SD-CG 4Å; M83-L88 HydrophobicContact CG-CB 4.45Å; M83-L88 HydrophobicContact SD-CB 4.01Å; M83-L135 HydrophobicContact CE-CD2 3.34Å; M83-L135 HydrophobicContact SD-CD2 4.28Å | ||
| 84 | T | 89.4 | Confident | 88.7 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | trans | -121.5 | 163.9 | 173.2 | 66.4 | 0 | 0 | 0 | 0 | 109.6 | E86 K87 L88 | T84-E86 VanDerWaalsContact C-N 3.3Å; T84-E86 PolarHBondContact O-N 2.84Å; T84-K87 PolarHBondContact O-N 3.32Å; T84-K87 WeakPolarHBondContact OG1-CB 3.43Å; T84-K87 PolarHBondContact OG1-N 2.93Å; T84-L88 WeakPolarHBondContact O-CB 3.5Å; T84-L88 PolarHBondContact O-N 3.4Å | ||
| 85 | E | 88.3 | Confident | 88.8 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 176.2 | -63.8 | -170.1 | 159.8 | 0 | 0 | 111.3 | I53 V65 K87 L88 R89 | I53-E85 WeakPolarHBondContact CD1-O 3.43Å; V65-E85 HydrophobicContact CB-CG 3.61Å; V65-E85 HydrophobicContact CG2-CB 4.46Å; V65-E85 HydrophobicContact CG2-CG 3.7Å; E85-K87 PolarHBondContact O-N 3.07Å; E85-L88 PolarHBondContact O-N 3.16Å; E85-R89 WeakPolarHBondContact O-CB 3.49Å; E85-R89 PolarHBondContact O-N 3.05Å |
| 86 | E | 88.1 | Confident | 88.9 | Confident | 154 Ų | 154 | 65 Ų | 65 | 72% | 0.72 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 178.1 | -62.1 | 152.7 | 172.8 | 0 | 0 | 112.4 | T84 R89 S90 | T84-E86 VanDerWaalsContact C-N 3.3Å; T84-E86 PolarHBondContact O-N 2.84Å; E86-R89 PolarHBondContact O-N 2.88Å; E86-S90 PolarHBondContact O-N 3.43Å; E86-S90 PolarHBondContact O-OG 3.4Å |
| 87 | K | 89.4 | Confident | 89 | Confident | 92 Ų | 92 | 67.7 Ų | 67.7 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 177.3 | -171.2 | 177.6 | 178.7 | -174 | 0 | 110.6 | D82 M83 T84 E85 R89 S90 V91 | D82-K87 PolarHBondContact O-NZ 3.01Å; M83-K87 HydrophobicContact CE-CD 4.45Å; M83-K87 HydrophobicContact SD-CB 4.03Å; M83-K87 HydrophobicContact SD-CD 4.09Å; M83-K87 HydrophobicContact SD-CG 4Å; T84-K87 PolarHBondContact O-N 3.32Å; T84-K87 WeakPolarHBondContact OG1-CB 3.43Å; T84-K87 PolarHBondContact OG1-N 2.93Å; E85-K87 PolarHBondContact O-N 3.07Å; K87-R89 VanDerWaalsContact C-N 3.33Å; K87-R89 PolarHBondContact O-N 3.47Å; K87-S90 PolarHBondContact O-N 3.17Å; K87-S90 PolarHBondContact O-OG 2.97Å; K87-V91 VanDerWaalsContact O-CG2 3.28Å; K87-V91 WeakPolarHBondContact O-CG2 3.42Å; K87-V91 PolarHBondContact O-N 3.31Å |
| 88 | L | 90.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176 | 178.1 | 59.8 | 0 | 0 | 0 | 111.7 | I53 L63 V65 V70 M83 T84 E85 V91 L92 L135 | I53-L88 HydrophobicContact CD1-CB 4.08Å; I53-L88 HydrophobicContact CD1-CD2 3.96Å; I53-L88 HydrophobicContact CD1-CG 3.91Å; L63-L88 HydrophobicContact CB-CD2 4.39Å; L63-L88 HydrophobicContact CD1-CD2 4.14Å; V65-L88 HydrophobicContact CG2-CD2 3.62Å; V70-L88 HydrophobicContact CB-CD2 4.48Å; V70-L88 HydrophobicContact CG1-CD2 3.6Å; V70-L88 HydrophobicContact CG2-CD2 4.03Å; M83-L88 HydrophobicContact CG-CB 4.45Å; M83-L88 HydrophobicContact SD-CB 4.01Å; T84-L88 WeakPolarHBondContact O-CB 3.5Å; T84-L88 PolarHBondContact O-N 3.4Å; E85-L88 PolarHBondContact O-N 3.16Å; L88-V91 PolarHBondContact O-N 3.37Å; L88-L92 HydrophobicContact CD1-CD1 4.03Å; L88-L92 HydrophobicContact CD1-CG 4.35Å; L88-L92 HydrophobicContact CG-CD1 4.14Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-L92 VanDerWaalsContact O-N 3.07Å; L88-L135 HydrophobicContact CD1-CD1 3.78Å; L88-L135 HydrophobicContact CD1-CD2 4.33Å |
| 89 | R | 90.7 | Very high | 89.3 | Confident | 57 Ų | 57 | 67 Ų | 67 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.1 | -54.6 | 176.3 | 179.3 | -177 | -61.4 | -76.1 | -2.4 | 111.2 | D51 I53 E85 E86 K87 V91 L92 E93 | D51-R89 VanDerWaalsContact CA-NH2 3.35Å; D51-R89 PolarHBondContact O-NH2 2.86Å; I53-R89 HydrophobicContact CD1-CB 3.83Å; I53-R89 HydrophobicContact CG1-CB 4.28Å; E85-R89 WeakPolarHBondContact O-CB 3.49Å; E85-R89 PolarHBondContact O-N 3.05Å; E86-R89 PolarHBondContact O-N 2.88Å; K87-R89 VanDerWaalsContact C-N 3.33Å; K87-R89 PolarHBondContact O-N 3.47Å; R89-V91 VanDerWaalsContact C-N 3.31Å; R89-V91 PolarHBondContact O-N 3.42Å; R89-L92 PolarHBondContact O-N 3.45Å; R89-E93 WeakPolarHBondContact CD-OE1 3.46Å; R89-E93 VanDerWaalsContact CG-CD 3.5Å; R89-E93 HydrophobicContact CG-CG 4.28Å; R89-E93 WeakPolarHBondContact CG-OE1 3.3Å; R89-E93 IonicContact NH1-OE1 3.77Å; R89-E93 WeakPolarHBondContact O-CB 3.37Å; R89-E93 WeakPolarHBondContact O-CG 3.2Å; R89-E93 PolarHBondContact O-N 2.91Å |
| 90 | S | 90.9 | Very high | 89.6 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 34% | 0.336 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | -178.8 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | E86 K87 N94 | E86-S90 PolarHBondContact O-N 3.43Å; E86-S90 PolarHBondContact O-OG 3.4Å; K87-S90 PolarHBondContact O-N 3.17Å; K87-S90 PolarHBondContact O-OG 2.97Å; S90-N94 WeakPolarHBondContact O-CB 3.39Å; S90-N94 PolarHBondContact O-N 3.37Å; S90-N94 PolarHBondContact O-ND2 2.99Å |
| 91 | V | 91.7 | Very high | 90.1 | Very high | 38 Ų | 38 | 72 Ų | 72 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 175.4 | 170 | 0 | 0 | 0 | 0 | 110.8 | K87 L88 R89 T95 L134 | K87-V91 VanDerWaalsContact O-CG2 3.28Å; K87-V91 WeakPolarHBondContact O-CG2 3.42Å; K87-V91 PolarHBondContact O-N 3.31Å; L88-V91 PolarHBondContact O-N 3.37Å; R89-V91 VanDerWaalsContact C-N 3.31Å; R89-V91 PolarHBondContact O-N 3.42Å; V91-T95 WeakPolarHBondContact O-CB 3.48Å; V91-T95 PolarHBondContact O-N 3.39Å; V91-T95 PolarHBondContact O-OG1 2.95Å; V91-L134 HydrophobicContact CG1-CB 4.25Å; V91-L134 HydrophobicContact CG1-CD2 3.75Å |
| 92 | L | 91.9 | Very high | 90.5 | Very high | 12 Ų | 12 | 74.8 Ų | 74.8 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.2 | -47.1 | -179.9 | -71.1 | 169.2 | 0 | 0 | 0 | 112.3 | I53 P56 L63 L88 R89 I96 F109 L121 L134 | I53-L92 HydrophobicContact CG2-CD1 3.64Å; P56-L92 HydrophobicContact CG-CD2 4.23Å; L63-L92 HydrophobicContact CD1-CD1 4.24Å; L88-L92 HydrophobicContact CD1-CD1 4.03Å; L88-L92 HydrophobicContact CD1-CG 4.35Å; L88-L92 HydrophobicContact CG-CD1 4.14Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-L92 VanDerWaalsContact O-N 3.07Å; R89-L92 PolarHBondContact O-N 3.45Å; L92-I96 WeakPolarHBondContact O-CB 3.27Å; L92-I96 WeakPolarHBondContact O-CD1 3.36Å; L92-I96 VanDerWaalsContact O-CG1 3.22Å; L92-I96 WeakPolarHBondContact O-CG1 3.38Å; L92-I96 PolarHBondContact O-N 3.24Å; L92-F109 HydrophobicContact CD2-CE1 3.95Å; L92-L121 HydrophobicContact CD2-CD2 4.05Å; L92-L134 HydrophobicContact CD2-CD1 4.11Å |
| 93 | E | 91.6 | Very high | 91.1 | Very high | 97 Ų | 97 | 69.9 Ų | 69.9 | 45% | 0.453 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | -179.5 | -75.1 | 173.2 | -174.9 | 0 | 0 | 111.6 | R89 I96 T97 | R89-E93 WeakPolarHBondContact CD-OE1 3.46Å; R89-E93 VanDerWaalsContact CG-CD 3.5Å; R89-E93 HydrophobicContact CG-CG 4.28Å; R89-E93 WeakPolarHBondContact CG-OE1 3.3Å; R89-E93 IonicContact NH1-OE1 3.77Å; R89-E93 WeakPolarHBondContact O-CB 3.37Å; R89-E93 WeakPolarHBondContact O-CG 3.2Å; R89-E93 PolarHBondContact O-N 2.91Å; E93-I96 PolarHBondContact O-N 3.08Å; E93-T97 WeakPolarHBondContact O-CB 3.44Å; E93-T97 PolarHBondContact O-N 2.95Å; E93-T97 PolarHBondContact O-OG1 3.46Å |
| 94 | N | 92.3 | Very high | 91.2 | Very high | 93 Ų | 93 | 79 Ų | 79 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 179.2 | -71.3 | -24.9 | 0 | 0 | 0 | 111 | S90 I96 T97 E98 | S90-N94 WeakPolarHBondContact O-CB 3.39Å; S90-N94 PolarHBondContact O-N 3.37Å; S90-N94 PolarHBondContact O-ND2 2.99Å; N94-I96 PolarHBondContact O-N 2.89Å; N94-T97 PolarHBondContact O-N 3.32Å; N94-E98 WeakPolarHBondContact O-CB 3.43Å; N94-E98 VanDerWaalsContact O-CG 3.3Å; N94-E98 WeakPolarHBondContact O-CG 3.49Å; N94-E98 PolarHBondContact O-N 2.89Å |
| 95 | T | 91.3 | Very high | 91.3 | Very high | 11 Ų | 11 | 81.5 Ų | 81.5 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | -178.5 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | V91 H99 M123 M132 L134 | V91-T95 WeakPolarHBondContact O-CB 3.48Å; V91-T95 PolarHBondContact O-N 3.39Å; V91-T95 PolarHBondContact O-OG1 2.95Å; T95-H99 WeakPolarHBondContact O-CB 3.43Å; T95-H99 PolarHBondContact O-N 3.24Å; T95-H99 VanDerWaalsContact O-N 3.09Å; T95-M123 HydrophobicContact CG2-CE 3.37Å; T95-M123 HydrophobicContact CG2-SD 3.52Å; T95-M123 VanDerWaalsContact CG2-SD 3.52Å; T95-M132 HydrophobicContact CG2-SD 3.67Å; T95-L134 HydrophobicContact CG2-CD2 3.58Å; T95-L134 WeakPolarHBondContact OG1-CD2 3.47Å |
| 96 | I | 91.3 | Very high | 91.4 | Very high | 70 Ų | 70 | 84 Ų | 84 | 36% | 0.359 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 176.8 | -67.1 | 166.8 | 0 | 0 | 0 | 110.4 | L92 E93 N94 H99 S100 F109 | L92-I96 WeakPolarHBondContact O-CB 3.27Å; L92-I96 WeakPolarHBondContact O-CD1 3.36Å; L92-I96 VanDerWaalsContact O-CG1 3.22Å; L92-I96 WeakPolarHBondContact O-CG1 3.38Å; L92-I96 PolarHBondContact O-N 3.24Å; E93-I96 PolarHBondContact O-N 3.08Å; N94-I96 PolarHBondContact O-N 2.89Å; I96-H99 PolarHBondContact O-N 3Å; I96-S100 WeakPolarHBondContact O-CB 3.46Å; I96-S100 PolarHBondContact O-N 3.04Å; I96-F109 HydrophobicContact CD1-CE2 4.42Å; I96-F109 HydrophobicContact CD1-CZ 3.97Å; I96-F109 HydrophobicContact CG1-CE2 4.5Å; I96-F109 HydrophobicContact CG1-CZ 3.9Å |
| 97 | T | 92.7 | Very high | 91.6 | Very high | 66 Ų | 66 | 77 Ų | 77 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 179.2 | -58.4 | 0 | 0 | 0 | 0 | 111 | E93 N94 H99 S100 H101 | E93-T97 WeakPolarHBondContact O-CB 3.44Å; E93-T97 PolarHBondContact O-N 2.95Å; E93-T97 PolarHBondContact O-OG1 3.46Å; N94-T97 PolarHBondContact O-N 3.32Å; T97-H99 VanDerWaalsContact C-N 3.31Å; T97-H99 PolarHBondContact O-N 3.34Å; T97-S100 WeakPolarHBondContact O-CB 3.47Å; T97-S100 PolarHBondContact O-N 2.94Å; T97-S100 VanDerWaalsContact O-N 3.08Å; T97-S100 PolarHBondContact O-OG 3.43Å; T97-H101 PolarHBondContact O-CD2 3.49Å; T97-H101 VanDerWaalsContact O-CD2 3.26Å; T97-H101 PolarHBondContact O-N 3.48Å |
| 98 | E | 92.4 | Very high | 91.8 | Very high | 113 Ų | 113 | 78.4 Ų | 78.4 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 175.7 | -77.4 | 178.9 | -174.2 | 0 | 0 | 112.3 | N94 | N94-E98 WeakPolarHBondContact O-CB 3.43Å; N94-E98 VanDerWaalsContact O-CG 3.3Å; N94-E98 WeakPolarHBondContact O-CG 3.49Å; N94-E98 PolarHBondContact O-N 2.89Å |
| 99 | H | 93.1 | Very high | 91.9 | Very high | 13 Ų | 13 | 79.1 Ų | 79.1 | 6% | 0.06 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 173.6 | 176.1 | -93.5 | 0 | 0 | 0 | 111.7 | T95 I96 T97 H101 R102 C103 H105 M123 C125 C128 S130 | T95-H99 WeakPolarHBondContact O-CB 3.43Å; T95-H99 PolarHBondContact O-N 3.24Å; T95-H99 VanDerWaalsContact O-N 3.09Å; I96-H99 PolarHBondContact O-N 3Å; T97-H99 VanDerWaalsContact C-N 3.31Å; T97-H99 PolarHBondContact O-N 3.34Å; H99-H101 PolarHBondContact O-N 3.07Å; H99-R102 PolarHBondContact O-N 3.04Å; H99-C103 VanDerWaalsContact CE1-CB 3.5Å; H99-C103 WeakPolarHBondContact CE1-CB 3.42Å; H99-C103 WeakPolarHBondContact NE2-CB 3.25Å; H99-C103 PolarHBondContact O-N 3.42Å; H99-H105 PolarHBondContact CE1-O 3.09Å; H99-M123 HydrophobicContact CB-CE 4.34Å; H99-C125 WeakPolarHBondContact NE2-CB 3.44Å; H99-C125 PolarHBondContact NE2-SG 3.41Å; H99-C128 PolarHBondContact NE2-SG 3.41Å; H99-S130 PolarHBondContact CD2-OG 3.18Å |
| 100 | S | 92.1 | Very high | 92 | Very high | 53 Ų | 53 | 78.6 Ų | 78.6 | 37% | 0.371 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.6 | -28.6 | -176.9 | 79.2 | 0 | 0 | 0 | 0 | 113.5 | I96 T97 R102 C103 | I96-S100 WeakPolarHBondContact O-CB 3.46Å; I96-S100 PolarHBondContact O-N 3.04Å; T97-S100 WeakPolarHBondContact O-CB 3.47Å; T97-S100 PolarHBondContact O-N 2.94Å; T97-S100 VanDerWaalsContact O-N 3.08Å; T97-S100 PolarHBondContact O-OG 3.43Å; S100-R102 PolarHBondContact O-N 3.36Å; S100-C103 WeakPolarHBondContact CA-O 3.5Å |
| 101 | H | 92.8 | Very high | 91.9 | Very high | 148 Ų | 148 | 79.1 Ų | 79.1 | 69% | 0.685 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.1 | 174.4 | -68.9 | -46.9 | 0 | 0 | 0 | 113.8 | T97 H99 | T97-H101 PolarHBondContact O-CD2 3.49Å; T97-H101 VanDerWaalsContact O-CD2 3.26Å; T97-H101 PolarHBondContact O-N 3.48Å; H99-H101 PolarHBondContact O-N 3.07Å |
| 102 | R | 90.6 | Very high | 91.6 | Very high | 230 Ų | 230 | 79.9 Ų | 79.9 | 87% | 0.868 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -26.6 | -177 | -58.2 | -177.7 | -174.2 | -176.7 | 3.6 | 112.7 | H99 S100 | H99-R102 PolarHBondContact O-N 3.04Å; S100-R102 PolarHBondContact O-N 3.36Å |
| 103 | C | 93.6 | Very high | 91 | Very high | 10 Ų | 10 | 84.1 Ų | 84.1 | 7% | 0.068 | 42% | 0.424 | C | S | . | . | trans | -148.1 | 131.4 | -173.4 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | H99 S100 H105 C128 | H99-C103 VanDerWaalsContact CE1-CB 3.5Å; H99-C103 WeakPolarHBondContact CE1-CB 3.42Å; H99-C103 WeakPolarHBondContact NE2-CB 3.25Å; H99-C103 PolarHBondContact O-N 3.42Å; S100-C103 WeakPolarHBondContact CA-O 3.5Å; C103-H105 VanDerWaalsContact C-N 3.32Å; C103-H105 PolarHBondContact SG-N 2.96Å; C103-C128 HydrophobicContact CB-CB 4.1Å | ||
| 104 | F | 91 | Very high | 89.8 | Confident | 206 Ų | 206 | 81.6 Ų | 81.6 | 90% | 0.904 | 42% | 0.423 | S | S | * | . | trans | -85.9 | 0.1 | 178.6 | -61.5 | -77.4 | 0 | 0 | 0 | 113.9 | ||||
| 105 | H | 92.1 | Very high | 88.2 | Confident | 113 Ų | 113 | 86.9 Ų | 86.9 | 52% | 0.523 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -80.4 | 148.6 | 175.5 | -78 | -91.4 | 0 | 0 | 0 | 111.3 | H99 C103 P107 V127 | H99-H105 PolarHBondContact CE1-O 3.09Å; C103-H105 VanDerWaalsContact C-N 3.32Å; C103-H105 PolarHBondContact SG-N 2.96Å; H105-P107 WeakPolarHBondContact O-CD 3.37Å; H105-V127 HydrophobicContact CB-CG2 4.2Å |
| 106 | N | 88.9 | Confident | 86.6 | Confident | 138 Ų | 138 | 93.9 Ų | 93.9 | 74% | 0.738 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 124.8 | 173.3 | -71.1 | -45.6 | 0 | 0 | 0 | 109.8 | ||
| 107 | P | 92.4 | Very high | 85.1 | Confident | 7 Ų | 7 | 99.4 Ų | 99.4 | 5% | 0.045 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 155.3 | 174.9 | 28.3 | -32.5 | 0 | 0 | 0 | 111.4 | R59 H105 F109 M123 S124 C125 | R59-P107 PolarHBondContact NH2-O 2.93Å; H105-P107 WeakPolarHBondContact O-CD 3.37Å; P107-F109 HydrophobicContact CB-CE2 4.48Å; P107-F109 HydrophobicContact CG-CE2 3.98Å; P107-F109 HydrophobicContact CG-CZ 4.43Å; P107-M123 HydrophobicContact CB-CG 3.52Å; P107-M123 HydrophobicContact CB-SD 3.74Å; P107-M123 HydrophobicContact CG-CG 4.01Å; P107-M123 HydrophobicContact CG-SD 3.7Å; P107-S124 CarbonylContact C-O 3.52Å; P107-S124 WeakPolarHBondContact CA-O 3.43Å; P107-C125 HydrophobicContact CB-CB 4.49Å |
| 108 | E | 93.8 | Very high | 84.2 | Confident | 123 Ų | 123 | 102.4 Ų | 102.4 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 140.1 | 173.3 | -170.8 | 172 | -171.8 | 0 | 0 | 110.1 | T110 M123 S124 | E108-T110 HydrophobicContact CG-CG2 4.44Å; E108-M123 CarbonylContact O-C 3.58Å; E108-M123 WeakPolarHBondContact O-CA 3.36Å; E108-S124 PolarHBondContact N-O 3.02Å; E108-S124 PolarHBondContact O-N 3.31Å |
| 109 | F | 94 | Very high | 83.8 | Confident | 16 Ų | 16 | 98.9 Ų | 98.9 | 7% | 0.07 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.7 | 179.3 | -70.1 | -101.4 | 0 | 0 | 0 | 110.1 | P56 V57 L92 I96 P107 L121 L122 M123 L134 | P56-F109 HydrophobicContact CB-CB 3.96Å; P56-F109 HydrophobicContact CB-CD1 3.85Å; P56-F109 HydrophobicContact CB-CD2 3.61Å; P56-F109 HydrophobicContact CB-CE1 4.16Å; P56-F109 HydrophobicContact CB-CE2 3.95Å; P56-F109 HydrophobicContact CB-CG 3.55Å; P56-F109 HydrophobicContact CB-CZ 4.21Å; P56-F109 HydrophobicContact CG-CB 4.21Å; P56-F109 HydrophobicContact CG-CD1 3.92Å; P56-F109 HydrophobicContact CG-CE1 4.36Å; P56-F109 HydrophobicContact CG-CG 3.99Å; V57-F109 HydrophobicContact CG2-CB 4.12Å; L92-F109 HydrophobicContact CD2-CE1 3.95Å; I96-F109 HydrophobicContact CD1-CE2 4.42Å; I96-F109 HydrophobicContact CD1-CZ 3.97Å; I96-F109 HydrophobicContact CG1-CE2 4.5Å; I96-F109 HydrophobicContact CG1-CZ 3.9Å; P107-F109 HydrophobicContact CB-CE2 4.48Å; P107-F109 HydrophobicContact CG-CE2 3.98Å; P107-F109 HydrophobicContact CG-CZ 4.43Å; F109-L121 HydrophobicContact CB-CD1 4.28Å; F109-L121 HydrophobicContact CD1-CD1 4.3Å; F109-L121 HydrophobicContact CD1-CD2 4.18Å; F109-L121 HydrophobicContact CD1-CG 4.2Å; F109-L122 CarbonylContact C-O 3.6Å; F109-L122 VanDerWaalsContact CA-O 3.27Å; F109-L122 WeakPolarHBondContact CA-O 3.46Å; F109-M123 HydrophobicContact CD1-CB 4.19Å; F109-M123 HydrophobicContact CD1-CG 4.48Å; F109-M123 HydrophobicContact CE1-CB 3.93Å; F109-M123 HydrophobicContact CE1-CG 4.03Å; F109-M123 HydrophobicContact CE2-CG 4.34Å; F109-M123 HydrophobicContact CZ-CB 4.36Å; F109-M123 HydrophobicContact CZ-CG 3.94Å; F109-M123 HydrophobicContact CZ-SD 4.19Å; F109-L134 HydrophobicContact CD1-CD1 4.06Å; F109-L134 HydrophobicContact CE1-CD1 3.56Å |
| 110 | T | 91.4 | Very high | 83.6 | Confident | 46 Ų | 46 | 99.3 Ų | 99.3 | 28% | 0.282 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 149.1 | 179.6 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | E108 L122 | E108-T110 HydrophobicContact CG-CG2 4.44Å; T110-L122 PolarHBondContact N-O 3.39Å; T110-L122 PolarHBondContact O-N 3.45Å |
| 111 | V | 89.9 | Confident | 83.6 | Confident | 59 Ų | 59 | 97 Ų | 97 | 36% | 0.358 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128.4 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | V57 L76 T119 S120 | V57-V111 HydrophobicContact CG2-CG2 4.26Å; L76-V111 HydrophobicContact CB-CG2 4.36Å; L76-V111 HydrophobicContact CD1-CG2 3.8Å; L76-V111 HydrophobicContact CG-CG2 3.87Å; V111-T119 HydrophobicContact CG1-CG2 4.45Å; V111-S120 WeakPolarHBondContact CA-O 3.34Å |
| 112 | T | 85.4 | Confident | 83.5 | Confident | 53 Ų | 53 | 91.5 Ų | 91.5 | 33% | 0.325 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.4 | 178.3 | 61.1 | 0 | 0 | 0 | 0 | 109.1 | T119 S120 L122 | T112-T119 CarbonylContact O-C 3.48Å; T112-T119 VanDerWaalsContact O-CA 3.32Å; T112-T119 WeakPolarHBondContact O-CA 3.32Å; T112-S120 PolarHBondContact N-O 2.95Å; T112-S120 PolarHBondContact O-N 3.17Å; T112-S120 PolarHBondContact OG1-O 3.24Å; T112-L122 HydrophobicContact CG2-CB 4.01Å; T112-L122 HydrophobicContact CG2-CD2 4.09Å |
| 113 | S | 78.3 | Confident | 83.7 | Confident | 102 Ų | 102 | 80.9 Ų | 80.9 | 71% | 0.713 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.6 | 173.8 | 55.5 | 0 | 0 | 0 | 0 | 109.4 | ||
| 114 | G | 67.3 | Low | 83.7 | Confident | 43 Ų | 43 | 82 Ų | 82 | 44% | 0.443 | 43% | 0.431 | S | S | . | . | trans | -71.8 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | E116 E118 | G114-E116 PolarHBondContact O-N 2.96Å; G114-E118 PolarHBondContact N-O 3.43Å | ||
| 115 | M | 57.4 | Low | 83.9 | Confident | 205 Ų | 205 | 72.6 Ų | 72.6 | 100% | 1.01 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.3 | 179.1 | -70 | -176.1 | 173.1 | 0 | 0 | 113.7 | ||
| 116 | E | 57.7 | Low | 83.9 | Confident | 158 Ų | 158 | 72.5 Ų | 72.5 | 74% | 0.738 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 32.8 | -175.7 | -60.8 | -171.5 | 172.8 | 0 | 0 | 113 | G114 E118 | G114-E116 PolarHBondContact O-N 2.96Å; E116-E118 PolarHBondContact O-N 3.44Å |
| 117 | E | 60.5 | Low | 84.1 | Confident | 186 Ų | 186 | 69.8 Ų | 69.8 | 87% | 0.869 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 63 | 0.2 | -178.1 | -58.8 | -177.6 | 166.8 | 0 | 0 | 115.4 | T119 | E117-T119 PolarHBondContact O-N 3.24Š|
| 118 | E | 73.6 | Confident | 84.2 | Confident | 128 Ų | 128 | 71.9 Ų | 71.9 | 60% | 0.598 | 41% | 0.406 | S | S | * | . | trans | -72.4 | 115.7 | 173 | -64.9 | -175.2 | 165 | 0 | 0 | 110.3 | G114 E116 | G114-E118 PolarHBondContact N-O 3.43Å; E116-E118 PolarHBondContact O-N 3.44Å | ||
| 119 | T | 84.3 | Confident | 84 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 24% | 0.239 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 126.8 | 173.5 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | Y77 I78 V111 T112 E117 | Y77-T119 WeakPolarHBondContact O-CB 3.42Å; Y77-T119 PolarHBondContact O-OG1 3.27Å; I78-T119 WeakPolarHBondContact CA-OG1 3.31Å; I78-T119 WeakPolarHBondContact CG2-O 3.3Å; V111-T119 HydrophobicContact CG1-CG2 4.45Å; T112-T119 CarbonylContact O-C 3.48Å; T112-T119 VanDerWaalsContact O-CA 3.32Å; T112-T119 WeakPolarHBondContact O-CA 3.32Å; E117-T119 PolarHBondContact O-N 3.24Å |
| 120 | S | 88.6 | Confident | 83.7 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 16% | 0.161 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 146.6 | -178.5 | -76.9 | 0 | 0 | 0 | 0 | 112.3 | V111 T112 L135 | V111-S120 WeakPolarHBondContact CA-O 3.34Å; T112-S120 PolarHBondContact N-O 2.95Å; T112-S120 PolarHBondContact O-N 3.17Å; T112-S120 PolarHBondContact OG1-O 3.24Å; S120-L135 CarbonylContact C-O 3.6Å; S120-L135 WeakPolarHBondContact CA-O 3.35Å; S120-L135 WeakPolarHBondContact CB-O 3.47Å; S120-L135 PolarHBondContact OG-O 3.24Å |
| 121 | L | 91.2 | Very high | 83.7 | Confident | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.016 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.9 | 174.1 | -174.1 | 64.3 | 0 | 0 | 0 | 109.7 | P56 V57 L76 I78 L92 F109 L134 L135 | P56-L121 HydrophobicContact CG-CD2 4.2Å; V57-L121 HydrophobicContact CG2-CD1 3.97Å; L76-L121 HydrophobicContact CD1-CD1 4.27Å; I78-L121 HydrophobicContact CD1-CB 3.71Å; L92-L121 HydrophobicContact CD2-CD2 4.05Å; F109-L121 HydrophobicContact CB-CD1 4.28Å; F109-L121 HydrophobicContact CD1-CD1 4.3Å; F109-L121 HydrophobicContact CD1-CD2 4.18Å; F109-L121 HydrophobicContact CD1-CG 4.2Å; L121-L134 HydrophobicContact CB-CB 4.33Å; L121-L134 HydrophobicContact CD2-CD1 4.02Å; L121-L134 HydrophobicContact CG-CD1 4.23Å; L121-L134 PolarHBondContact O-N 3.03Å; L121-L135 HydrophobicContact CB-CB 4.1Å; L121-L135 HydrophobicContact CB-CD1 4.27Å; L121-L135 HydrophobicContact CB-CG 4.23Å; L121-L135 HydrophobicContact CD2-CD1 4.39Å; L121-L135 PolarHBondContact N-O 3.47Å |
| 122 | L | 92.4 | Very high | 83.6 | Confident | 34 Ų | 34 | 80.9 Ų | 80.9 | 18% | 0.178 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.5 | 176.2 | -179.7 | 71.5 | 0 | 0 | 0 | 109.9 | F109 T110 T112 W131 I133 | F109-L122 CarbonylContact C-O 3.6Å; F109-L122 VanDerWaalsContact CA-O 3.27Å; F109-L122 WeakPolarHBondContact CA-O 3.46Å; T110-L122 PolarHBondContact N-O 3.39Å; T110-L122 PolarHBondContact O-N 3.45Å; T112-L122 HydrophobicContact CG2-CB 4.01Å; T112-L122 HydrophobicContact CG2-CD2 4.09Å; L122-W131 HydrophobicContact CD1-CB 4.44Å; L122-W131 HydrophobicContact CD1-CE3 4.1Å; L122-I133 HydrophobicContact CD1-CG1 3.86Å |
| 123 | M | 93.5 | Very high | 83.8 | Confident | 6 Ų | 6 | 83.1 Ų | 83.1 | 3% | 0.03 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.2 | 162 | -174.3 | -169.9 | 66.9 | 0 | 0 | 109.1 | T95 H99 P107 E108 F109 W131 M132 L134 | T95-M123 HydrophobicContact CG2-CE 3.37Å; T95-M123 HydrophobicContact CG2-SD 3.52Å; T95-M123 VanDerWaalsContact CG2-SD 3.52Å; H99-M123 HydrophobicContact CB-CE 4.34Å; P107-M123 HydrophobicContact CB-CG 3.52Å; P107-M123 HydrophobicContact CB-SD 3.74Å; P107-M123 HydrophobicContact CG-CG 4.01Å; P107-M123 HydrophobicContact CG-SD 3.7Å; E108-M123 CarbonylContact O-C 3.58Å; E108-M123 WeakPolarHBondContact O-CA 3.36Å; F109-M123 HydrophobicContact CD1-CB 4.19Å; F109-M123 HydrophobicContact CD1-CG 4.48Å; F109-M123 HydrophobicContact CE1-CB 3.93Å; F109-M123 HydrophobicContact CE1-CG 4.03Å; F109-M123 HydrophobicContact CE2-CG 4.34Å; F109-M123 HydrophobicContact CZ-CB 4.36Å; F109-M123 HydrophobicContact CZ-CG 3.94Å; F109-M123 HydrophobicContact CZ-SD 4.19Å; M123-W131 CarbonylContact O-C 3.5Å; M123-W131 WeakPolarHBondContact O-CA 3.34Å; M123-M132 HydrophobicContact CE-CB 4.25Å; M123-M132 PolarHBondContact N-O 3.37Å; M123-M132 PolarHBondContact O-N 3.43Å; M123-L134 HydrophobicContact CB-CD1 4.08Å |
| 124 | S | 94.3 | Very high | 84.1 | Confident | 33 Ų | 33 | 79.5 Ų | 79.5 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 147.7 | 175.2 | 61 | 0 | 0 | 0 | 0 | 111.3 | P107 E108 S130 | P107-S124 CarbonylContact C-O 3.52Å; P107-S124 WeakPolarHBondContact CA-O 3.43Å; E108-S124 PolarHBondContact N-O 3.02Å; E108-S124 PolarHBondContact O-N 3.31Å; S124-S130 CarbonylContact C-O 3.56Å; S124-S130 WeakPolarHBondContact CA-O 3.5Å |
| 125 | C | 95.2 | Very high | 84.9 | Confident | 9 Ų | 9 | 79.5 Ų | 79.5 | 6% | 0.061 | 41% | 0.413 | C | S | . | . | trans | -132.1 | 121.6 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | H99 P107 V127 C128 D129 S130 | H99-C125 WeakPolarHBondContact NE2-CB 3.44Å; H99-C125 PolarHBondContact NE2-SG 3.41Å; P107-C125 HydrophobicContact CB-CB 4.49Å; C125-V127 PolarHBondContact O-N 3.07Å; C125-C128 VanDerWaalsContact CB-SG 3.59Å; C125-D129 WeakPolarHBondContact O-CA 3.39Å; C125-D129 PolarHBondContact O-N 3.12Å; C125-D129 VanDerWaalsContact O-N 3.12Å; C125-S130 PolarHBondContact N-O 3.06Å | ||
| 126 | S | 91.9 | Very high | 86.2 | Confident | 112 Ų | 112 | 73.2 Ų | 73.2 | 78% | 0.783 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -8.2 | -177.7 | 55 | 0 | 0 | 0 | 0 | 114.5 | ||
| 127 | V | 93.9 | Very high | 87.7 | Confident | 80 Ų | 80 | 68.7 Ų | 68.7 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -40.8 | -175.3 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | H105 C125 | H105-V127 HydrophobicContact CB-CG2 4.2Å; C125-V127 PolarHBondContact O-N 3.07Å |
| 128 | C | 92.9 | Very high | 89.2 | Confident | 52 Ų | 52 | 62.2 Ų | 62.2 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 5.4 | 178.9 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | H99 C103 C125 S130 | H99-C128 PolarHBondContact NE2-SG 3.41Å; C103-C128 HydrophobicContact CB-CB 4.1Å; C125-C128 VanDerWaalsContact CB-SG 3.59Å; C128-S130 PolarHBondContact O-N 3.27Å; C128-S130 VanDerWaalsContact SG-CB 3.57Å; C128-S130 PolarHBondContact SG-OG 3.22Å |
| 129 | D | 90.1 | Very high | 90.2 | Very high | 134 Ų | 134 | 58.4 Ų | 58.4 | 72% | 0.717 | 32% | 0.322 | S | S | * | . | trans | 51.5 | 22.6 | -176.8 | -62.8 | -40.4 | 0 | 0 | 0 | 114 | C125 | C125-D129 WeakPolarHBondContact O-CA 3.39Å; C125-D129 PolarHBondContact O-N 3.12Å; C125-D129 VanDerWaalsContact O-N 3.12Å | ||
| 130 | S | 88.1 | Confident | 90.5 | Very high | 40 Ų | 40 | 59.6 Ų | 59.6 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | trans | -80.1 | 138.7 | 177.2 | 76.3 | 0 | 0 | 0 | 0 | 110.2 | H99 S124 C125 C128 | H99-S130 PolarHBondContact CD2-OG 3.18Å; S124-S130 CarbonylContact C-O 3.56Å; S124-S130 WeakPolarHBondContact CA-O 3.5Å; C125-S130 PolarHBondContact N-O 3.06Å; C128-S130 PolarHBondContact O-N 3.27Å; C128-S130 VanDerWaalsContact SG-CB 3.57Å; C128-S130 PolarHBondContact SG-OG 3.22Å | ||
| 131 | W | 90.3 | Very high | 90.7 | Very high | 184 Ų | 184 | 62 Ų | 62 | 70% | 0.697 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 148.8 | 170.9 | 61.5 | -84.7 | 0 | 0 | 0 | 110.3 | L122 M123 I133 | L122-W131 HydrophobicContact CD1-CB 4.44Å; L122-W131 HydrophobicContact CD1-CE3 4.1Å; M123-W131 CarbonylContact O-C 3.5Å; M123-W131 WeakPolarHBondContact O-CA 3.34Å; W131-I133 HydrophobicContact CZ3-CG1 4.47Å |
| 132 | M | 88.5 | Confident | 90.6 | Very high | 75 Ų | 75 | 66.2 Ų | 66.2 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 131.6 | -179 | -174.7 | 178.5 | -72 | 0 | 0 | 110.2 | T95 M123 L134 | T95-M132 HydrophobicContact CG2-SD 3.67Å; M123-M132 HydrophobicContact CE-CB 4.25Å; M123-M132 PolarHBondContact N-O 3.37Å; M123-M132 PolarHBondContact O-N 3.43Å; M132-L134 HydrophobicContact CG-CD2 4.44Å; M132-L134 HydrophobicContact SD-CD2 4.17Å |
| 133 | I | 88.8 | Confident | 90.5 | Very high | 99 Ų | 99 | 68.7 Ų | 68.7 | 51% | 0.508 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 128.1 | 169.4 | -59.9 | 172.6 | 0 | 0 | 0 | 107.7 | L122 W131 | L122-I133 HydrophobicContact CD1-CG1 3.86Å; W131-I133 HydrophobicContact CZ3-CG1 4.47Å |
| 134 | L | 86.3 | Confident | 90.2 | Very high | 26 Ų | 26 | 73.9 Ų | 73.9 | 14% | 0.136 | 40% | 0.404 | C | S | . | . | trans | -102.3 | -42.9 | -172.3 | -69.8 | 168.2 | 0 | 0 | 0 | 113.2 | V91 L92 T95 F109 L121 M123 M132 | V91-L134 HydrophobicContact CG1-CB 4.25Å; V91-L134 HydrophobicContact CG1-CD2 3.75Å; L92-L134 HydrophobicContact CD2-CD1 4.11Å; T95-L134 HydrophobicContact CG2-CD2 3.58Å; T95-L134 WeakPolarHBondContact OG1-CD2 3.47Å; F109-L134 HydrophobicContact CD1-CD1 4.06Å; F109-L134 HydrophobicContact CE1-CD1 3.56Å; L121-L134 HydrophobicContact CB-CB 4.33Å; L121-L134 HydrophobicContact CD2-CD1 4.02Å; L121-L134 HydrophobicContact CG-CD1 4.23Å; L121-L134 PolarHBondContact O-N 3.03Å; M123-L134 HydrophobicContact CB-CD1 4.08Å; M132-L134 HydrophobicContact CG-CD2 4.44Å; M132-L134 HydrophobicContact SD-CD2 4.17Å | ||
| 135 | L | 82.5 | Confident | 89.9 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 23% | 0.225 | 42% | 0.419 | C | S | . | . | trans | -130.6 | 0 | -173.8 | -60.9 | -177.2 | 0 | 0 | 0 | 109.9 | V70 I78 T80 M83 L88 S120 L121 | V70-L135 HydrophobicContact CG2-CD1 4.37Å; I78-L135 HydrophobicContact CD1-CD1 4.11Å; I78-L135 HydrophobicContact CG2-CB 3.87Å; I78-L135 HydrophobicContact CG2-CD1 4.15Å; T80-L135 HydrophobicContact CG2-CB 3.88Å; T80-L135 HydrophobicContact CG2-CD1 4.48Å; T80-L135 HydrophobicContact CG2-CD2 4.2Å; T80-L135 HydrophobicContact CG2-CG 4.43Å; M83-L135 HydrophobicContact CE-CD2 3.34Å; M83-L135 HydrophobicContact SD-CD2 4.28Å; L88-L135 HydrophobicContact CD1-CD1 3.78Å; L88-L135 HydrophobicContact CD1-CD2 4.33Å; S120-L135 CarbonylContact C-O 3.6Å; S120-L135 WeakPolarHBondContact CA-O 3.35Å; S120-L135 WeakPolarHBondContact CB-O 3.47Å; S120-L135 PolarHBondContact OG-O 3.24Å; L121-L135 HydrophobicContact CB-CB 4.1Å; L121-L135 HydrophobicContact CB-CD1 4.27Å; L121-L135 HydrophobicContact CB-CG 4.23Å; L121-L135 HydrophobicContact CD2-CD1 4.39Å; L121-L135 PolarHBondContact N-O 3.47Å |
Retrieved 135 of 135 residues in 36.9 ms
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