| 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 | 66.6 | Low | 88.9 | Confident | 178 Ų | 178 | 83.1 Ų | 83.1 | 88% | 0.877 | 48% | 0.484 | S | S | * | . | 0 | 157.1 | 0 | -85.8 | 178.2 | -96.2 | 0 | 0 | 107.6 | E6 L9 | M1-E6 HydrophobicContact CB-CG 4.24Å; M1-L9 HydrophobicContact SD-CD1 3.98Å | |||
| 2 | S | 88.1 | Confident | 89.6 | Confident | 64 Ų | 64 | 85.7 Ų | 85.7 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | trans | -77.6 | 153.5 | 172.3 | 70.5 | 0 | 0 | 0 | 0 | 109.4 | A4 S5 E6 | S2-A4 PolarHBondContact O-N 2.86Å; S2-S5 WeakPolarHBondContact O-CA 3.45Å; S2-S5 WeakPolarHBondContact O-CB 3.06Å; S2-S5 PolarHBondContact O-N 3.15Å; S2-S5 PolarHBondContact OG-N 2.76Å; S2-S5 VanDerWaalsContact OG-N 3.13Å; S2-S5 PolarHBondContact OG-OG 3.29Å; S2-E6 PolarHBondContact O-N 3.44Å; S2-E6 VanDerWaalsContact O-N 3.12Å | ||
| 3 | A | 84.4 | Confident | 90.1 | Very high | 73 Ų | 73 | 91.2 Ų | 91.2 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -55 | -36.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S5 E6 V7 | A3-S5 PolarHBondContact O-N 2.82Å; A3-E6 PolarHBondContact O-N 3.38Å; A3-V7 WeakPolarHBondContact O-CG2 3.5Å; A3-V7 PolarHBondContact O-N 3.03Å |
| 4 | A | 87.1 | Confident | 90.5 | Very high | 60 Ų | 60 | 85.2 Ų | 85.2 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2 E6 N8 | S2-A4 PolarHBondContact O-N 2.86Å; A4-E6 VanDerWaalsContact C-N 3.34Å; A4-N8 VanDerWaalsContact O-CB 3.31Å; A4-N8 WeakPolarHBondContact O-CB 3.27Å; A4-N8 PolarHBondContact O-N 2.72Å; A4-N8 PolarHBondContact O-ND2 3.24Å |
| 5 | S | 92.3 | Very high | 91 | Very high | 50 Ų | 50 | 81.5 Ų | 81.5 | 35% | 0.35 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 175 | -62.9 | 0 | 0 | 0 | 0 | 112 | S2 A3 L9 | S2-S5 WeakPolarHBondContact O-CA 3.45Å; S2-S5 WeakPolarHBondContact O-CB 3.06Å; S2-S5 PolarHBondContact O-N 3.15Å; S2-S5 PolarHBondContact OG-N 2.76Å; S2-S5 VanDerWaalsContact OG-N 3.13Å; S2-S5 PolarHBondContact OG-OG 3.29Å; A3-S5 PolarHBondContact O-N 2.82Å; S5-L9 WeakPolarHBondContact O-CB 3.48Å; S5-L9 VanDerWaalsContact O-CG 3.24Å; S5-L9 WeakPolarHBondContact O-CG 2.92Å; S5-L9 PolarHBondContact O-N 2.95Å |
| 6 | E | 90.8 | Very high | 91.4 | Very high | 104 Ų | 104 | 84.6 Ų | 84.6 | 49% | 0.486 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.3 | -46.7 | 178.7 | -72.2 | 169.3 | -172.7 | 0 | 0 | 111.6 | M1 S2 A3 A4 N8 L9 M10 | M1-E6 HydrophobicContact CB-CG 4.24Å; S2-E6 PolarHBondContact O-N 3.44Å; S2-E6 VanDerWaalsContact O-N 3.12Å; A3-E6 PolarHBondContact O-N 3.38Å; A4-E6 VanDerWaalsContact C-N 3.34Å; E6-N8 PolarHBondContact O-N 2.71Å; E6-L9 PolarHBondContact O-N 3.49Å; E6-M10 WeakPolarHBondContact O-CG 3.23Å; E6-M10 PolarHBondContact O-N 2.98Å |
| 7 | V | 91.1 | Very high | 91.7 | Very high | 79 Ų | 79 | 86.9 Ų | 86.9 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 175.4 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | A3 L9 M10 L11 | A3-V7 WeakPolarHBondContact O-CG2 3.5Å; A3-V7 PolarHBondContact O-N 3.03Å; V7-L9 VanDerWaalsContact C-N 3.33Å; V7-L9 PolarHBondContact O-N 3.07Å; V7-M10 PolarHBondContact O-N 2.97Å; V7-L11 PolarHBondContact O-N 3.03Å |
| 8 | N | 93.3 | Very high | 92.1 | Very high | 89 Ų | 89 | 84.2 Ų | 84.2 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 177.6 | -72.9 | -19 | 0 | 0 | 0 | 112.2 | A4 E6 L11 L12 | A4-N8 VanDerWaalsContact O-CB 3.31Å; A4-N8 WeakPolarHBondContact O-CB 3.27Å; A4-N8 PolarHBondContact O-N 2.72Å; A4-N8 PolarHBondContact O-ND2 3.24Å; E6-N8 PolarHBondContact O-N 2.71Å; N8-L11 PolarHBondContact O-N 3Å; N8-L12 VanDerWaalsContact O-CG 3.3Å; N8-L12 WeakPolarHBondContact O-CG 3.42Å; N8-L12 PolarHBondContact O-N 2.95Å |
| 9 | L | 94.6 | Very high | 92.3 | Very high | 72 Ų | 72 | 82.7 Ų | 82.7 | 38% | 0.377 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 175.6 | -77.6 | 171.9 | 0 | 0 | 0 | 111.7 | M1 S5 E6 V7 R13 | M1-L9 HydrophobicContact SD-CD1 3.98Å; S5-L9 WeakPolarHBondContact O-CB 3.48Å; S5-L9 VanDerWaalsContact O-CG 3.24Å; S5-L9 WeakPolarHBondContact O-CG 2.92Å; S5-L9 PolarHBondContact O-N 2.95Å; E6-L9 PolarHBondContact O-N 3.49Å; V7-L9 VanDerWaalsContact C-N 3.33Å; V7-L9 PolarHBondContact O-N 3.07Å; L9-R13 WeakPolarHBondContact O-CB 3.28Å; L9-R13 VanDerWaalsContact O-CG 3.26Å; L9-R13 WeakPolarHBondContact O-CG 3.44Å; L9-R13 PolarHBondContact O-N 3.25Å |
| 10 | M | 94.3 | Very high | 92.6 | Very high | 78 Ų | 78 | 79.1 Ų | 79.1 | 38% | 0.384 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 173.7 | -72.8 | 177.4 | 66.8 | 0 | 0 | 110.9 | E6 V7 L12 R13 S14 | E6-M10 WeakPolarHBondContact O-CG 3.23Å; E6-M10 PolarHBondContact O-N 2.98Å; V7-M10 PolarHBondContact O-N 2.97Å; M10-L12 PolarHBondContact O-N 2.98Å; M10-R13 PolarHBondContact O-N 2.71Å; M10-S14 PolarHBondContact O-N 2.84Å; M10-S14 PolarHBondContact O-OG 2.55Å |
| 11 | L | 95.5 | Very high | 92.8 | Very high | 67 Ų | 67 | 76.6 Ų | 76.6 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56 | -48.9 | 177.1 | 177.1 | 63.1 | 0 | 0 | 0 | 112.3 | V7 N8 R13 S14 V15 V42 V46 | V7-L11 PolarHBondContact O-N 3.03Å; N8-L11 PolarHBondContact O-N 3Å; L11-R13 PolarHBondContact O-N 2.94Å; L11-S14 PolarHBondContact O-N 3.36Å; L11-V15 HydrophobicContact CD1-CG2 4.22Å; L11-V15 WeakPolarHBondContact O-CG2 3.16Å; L11-V15 PolarHBondContact O-N 3.18Å; L11-V42 HydrophobicContact CD1-CG1 3.64Å; L11-V46 HydrophobicContact CB-CG2 4.44Å; L11-V46 HydrophobicContact CD1-CG2 4.3Å |
| 12 | L | 96.7 | Very high | 94.2 | Very high | 114 Ų | 114 | 73.7 Ų | 73.7 | 60% | 0.597 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | -179.3 | -72.1 | 172 | 0 | 0 | 0 | 112.1 | N8 M10 S14 V15 E16 | N8-L12 VanDerWaalsContact O-CG 3.3Å; N8-L12 WeakPolarHBondContact O-CG 3.42Å; N8-L12 PolarHBondContact O-N 2.95Å; M10-L12 PolarHBondContact O-N 2.98Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 3.01Å; L12-V15 PolarHBondContact O-N 3.13Å; L12-E16 WeakPolarHBondContact O-CB 3.35Å; L12-E16 PolarHBondContact O-N 3.49Å |
| 13 | R | 96.3 | Very high | 94.7 | Very high | 158 Ų | 158 | 73 Ų | 73 | 60% | 0.596 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.4 | -37.5 | 175.9 | -74.7 | 172.2 | 176.6 | 176.4 | 0.2 | 112.4 | L9 M10 L11 | L9-R13 WeakPolarHBondContact O-CB 3.28Å; L9-R13 VanDerWaalsContact O-CG 3.26Å; L9-R13 WeakPolarHBondContact O-CG 3.44Å; L9-R13 PolarHBondContact O-N 3.25Å; M10-R13 PolarHBondContact O-N 2.71Å; L11-R13 PolarHBondContact O-N 2.94Å |
| 14 | S | 96.6 | Very high | 95.3 | Very high | 7 Ų | 7 | 79.2 Ų | 79.2 | 5% | 0.049 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 176 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | M10 L11 L12 K17 E45 | M10-S14 PolarHBondContact O-N 2.84Å; M10-S14 PolarHBondContact O-OG 2.55Å; L11-S14 PolarHBondContact O-N 3.36Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 3.01Å; S14-K17 PolarHBondContact O-N 2.89Å; S14-E45 WeakPolarHBondContact CA-OE2 3.45Å; S14-E45 VanDerWaalsContact CB-OE2 3.23Å; S14-E45 WeakPolarHBondContact CB-OE2 3.38Å; S14-E45 WeakPolarHBondContact OG-CB 3.48Å; S14-E45 PolarHBondContact OG-OE2 3.32Å |
| 15 | V | 97.4 | Very high | 95.8 | Very high | 30 Ų | 30 | 82.2 Ų | 82.2 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 176 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | L11 L12 K17 Q18 L21 Y22 W39 V42 | L11-V15 HydrophobicContact CD1-CG2 4.22Å; L11-V15 WeakPolarHBondContact O-CG2 3.16Å; L11-V15 PolarHBondContact O-N 3.18Å; L12-V15 PolarHBondContact O-N 3.13Å; V15-K17 PolarHBondContact O-N 3.45Å; V15-Q18 PolarHBondContact O-N 2.98Å; V15-L21 HydrophobicContact CG1-CD1 4.32Å; V15-Y22 HydrophobicContact CG1-CD1 4.45Å; V15-Y22 WeakPolarHBondContact O-CE1 3.27Å; V15-W39 HydrophobicContact CG2-CH2 4.25Å; V15-W39 HydrophobicContact CG2-CZ3 4.02Å; V15-V42 HydrophobicContact CG2-CG1 4.12Å; V15-V42 HydrophobicContact CG2-CG2 4.06Å |
| 16 | E | 97.6 | Very high | 96.1 | Very high | 131 Ų | 131 | 81.3 Ų | 81.3 | 61% | 0.612 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -55.7 | -35.8 | 179 | -177 | 179.5 | -163.3 | 0 | 0 | 112.6 | L12 Q18 Y22 | L12-E16 WeakPolarHBondContact O-CB 3.35Å; L12-E16 PolarHBondContact O-N 3.49Å; E16-Q18 PolarHBondContact O-N 3.4Å; E16-Y22 WeakPolarHBondContact O-CE1 3.43Å; E16-Y22 PolarHBondContact O-OH 3.37Å |
| 17 | K | 96.9 | Very high | 96.4 | Very high | 123 Ų | 123 | 83.7 Ų | 83.7 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.2 | 177.2 | -61.5 | 168.8 | -175 | 168.8 | 0 | 113.8 | S14 V15 E45 | S14-K17 PolarHBondContact O-N 2.89Å; V15-K17 PolarHBondContact O-N 3.45Å; K17-E45 IonicContact NZ-OE1 3.61Å; K17-E45 PolarHBondContact NZ-OE1 2.84Å; K17-E45 IonicContact NZ-OE2 2.79Å; K17-E45 PolarHBondContact NZ-OE2 3Å |
| 18 | Q | 97.6 | Very high | 96.7 | Very high | 39 Ų | 39 | 82 Ų | 82 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | trans | -105.8 | 74.2 | -174.6 | -52 | -52.9 | -44.6 | 0 | 0 | 110.6 | V15 E16 A20 L21 A38 V42 | V15-Q18 PolarHBondContact O-N 2.98Å; E16-Q18 PolarHBondContact O-N 3.4Å; Q18-A20 PolarHBondContact O-N 3.44Å; Q18-A20 VanDerWaalsContact O-N 3.13Å; Q18-L21 HydrophobicContact CB-CD1 3.77Å; Q18-L21 HydrophobicContact CB-CG 3.97Å; Q18-L21 HydrophobicContact CG-CD1 4.43Å; Q18-L21 WeakPolarHBondContact O-CB 3.31Å; Q18-L21 PolarHBondContact O-N 3.25Å; Q18-A38 HydrophobicContact CB-CB 3.83Å; Q18-A38 HydrophobicContact CG-CB 4.07Å; Q18-V42 HydrophobicContact CG-CG2 3.82Å | ||
| 19 | T | 97.6 | Very high | 96.9 | Very high | 55 Ų | 55 | 80.4 Ų | 80.4 | 34% | 0.337 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -55.1 | -32.3 | -176.3 | 45.8 | 0 | 0 | 0 | 0 | 113.6 | L21 Y22 D23 D26 | T19-L21 PolarHBondContact O-N 3.06Å; T19-Y22 PolarHBondContact O-N 3.5Å; T19-D23 WeakPolarHBondContact O-CB 3.34Å; T19-D23 PolarHBondContact O-N 3.37Å; T19-D26 WeakPolarHBondContact CB-OD2 3.26Å; T19-D26 PolarHBondContact OG1-OD2 2.91Å |
| 20 | A | 97.5 | Very high | 96.8 | Very high | 11 Ų | 11 | 85.4 Ų | 85.4 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -54 | -21.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q18 D26 N28 Y29 R30 P34 | Q18-A20 PolarHBondContact O-N 3.44Å; Q18-A20 VanDerWaalsContact O-N 3.13Å; A20-D26 PolarHBondContact N-OD2 3.37Å; A20-N28 HydrophobicContact CB-CB 4.21Å; A20-Y29 WeakPolarHBondContact O-CA 3.36Å; A20-R30 PolarHBondContact O-N 3.46Å; A20-P34 HydrophobicContact CB-CB 4.37Å |
| 21 | L | 97 | Very high | 96.9 | Very high | 26 Ų | 26 | 86.5 Ų | 86.5 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -81.8 | -29.7 | 178.8 | -61 | -178.2 | 0 | 0 | 0 | 113.8 | V15 Q18 T19 A38 W39 V42 | V15-L21 HydrophobicContact CG1-CD1 4.32Å; Q18-L21 HydrophobicContact CB-CD1 3.77Å; Q18-L21 HydrophobicContact CB-CG 3.97Å; Q18-L21 HydrophobicContact CG-CD1 4.43Å; Q18-L21 WeakPolarHBondContact O-CB 3.31Å; Q18-L21 PolarHBondContact O-N 3.25Å; T19-L21 PolarHBondContact O-N 3.06Å; L21-A38 HydrophobicContact CD1-CB 4.14Å; L21-A38 HydrophobicContact CD2-CB 3.78Å; L21-A38 HydrophobicContact CG-CB 3.83Å; L21-W39 HydrophobicContact CD1-CD2 4.12Å; L21-W39 HydrophobicContact CD1-CE3 4.29Å; L21-W39 HydrophobicContact CD1-CH2 4.2Å; L21-W39 HydrophobicContact CD1-CZ2 4.03Å; L21-W39 HydrophobicContact CD1-CZ3 4.33Å; L21-W39 HydrophobicContact CD2-CD2 4.32Å; L21-W39 HydrophobicContact CD2-CG 4.35Å; L21-W39 HydrophobicContact CD2-CZ2 4.28Å; L21-V42 HydrophobicContact CD1-CG2 4.39Å |
| 22 | Y | 96.3 | Very high | 97 | Very high | 117 Ų | 117 | 92.4 Ų | 92.4 | 46% | 0.459 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | -27.8 | -168.1 | 70.7 | -92.8 | 0 | 0 | 0 | 115.7 | V15 E16 T19 R24 | V15-Y22 HydrophobicContact CG1-CD1 4.45Å; V15-Y22 WeakPolarHBondContact O-CE1 3.27Å; E16-Y22 WeakPolarHBondContact O-CE1 3.43Å; E16-Y22 PolarHBondContact O-OH 3.37Å; T19-Y22 PolarHBondContact O-N 3.5Å; Y22-R24 PolarHBondContact O-N 2.93Å |
| 23 | D | 97.8 | Very high | 97 | Very high | 51 Ų | 51 | 92.2 Ų | 92.2 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | trans | -82.4 | 114.9 | -177.9 | -177.3 | -2.6 | 0 | 0 | 0 | 110.4 | T19 T25 D26 Y29 | T19-D23 WeakPolarHBondContact O-CB 3.34Å; T19-D23 PolarHBondContact O-N 3.37Å; D23-T25 VanDerWaalsContact CG-OG1 3.3Å; D23-T25 PolarHBondContact O-N 3.21Å; D23-T25 WeakPolarHBondContact OD1-CB 3.4Å; D23-T25 PolarHBondContact OD1-N 3.41Å; D23-T25 PolarHBondContact OD1-OG1 3.04Å; D23-T25 PolarHBondContact OD2-OG1 3.49Å; D23-D26 HydrophobicContact CB-CB 4.14Å; D23-D26 VanDerWaalsContact O-CB 3.28Å; D23-D26 WeakPolarHBondContact O-CB 3.31Å; D23-D26 PolarHBondContact O-N 3.14Å; D23-Y29 VanDerWaalsContact O-CB 3.27Å; D23-Y29 WeakPolarHBondContact O-CB 3.23Å; D23-Y29 WeakPolarHBondContact O-CD2 3.41Å | ||
| 24 | R | 97.6 | Very high | 97.1 | Very high | 202 Ų | 202 | 86.4 Ų | 86.4 | 76% | 0.762 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -15.6 | -179.7 | -62.7 | -177.1 | -178 | -178.1 | 2.1 | 113.8 | Y22 Y29 | Y22-R24 PolarHBondContact O-N 2.93Å; R24-Y29 HydrophobicContact CB-CD1 4.49Å; R24-Y29 HydrophobicContact CB-CE1 4.41Å; R24-Y29 HydrophobicContact CG-CD1 4.4Å; R24-Y29 HydrophobicContact CG-CE1 3.85Å; R24-Y29 HydrophobicContact CG-CE2 4.11Å |
| 25 | T | 97.9 | Very high | 97.1 | Very high | 124 Ų | 124 | 87 Ų | 87 | 76% | 0.761 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -12.5 | 177.7 | 71.2 | 0 | 0 | 0 | 0 | 112.3 | D23 E27 | D23-T25 VanDerWaalsContact CG-OG1 3.3Å; D23-T25 PolarHBondContact O-N 3.21Å; D23-T25 WeakPolarHBondContact OD1-CB 3.4Å; D23-T25 PolarHBondContact OD1-N 3.41Å; D23-T25 PolarHBondContact OD1-OG1 3.04Å; D23-T25 PolarHBondContact OD2-OG1 3.49Å; T25-E27 PolarHBondContact O-N 2.94Å |
| 26 | D | 97.1 | Very high | 97.1 | Very high | 31 Ų | 31 | 89.5 Ų | 89.5 | 17% | 0.166 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -63.6 | 127.2 | 172 | -169.7 | -55.6 | 0 | 0 | 0 | 109.5 | T19 A20 D23 N28 Y29 | T19-D26 WeakPolarHBondContact CB-OD2 3.26Å; T19-D26 PolarHBondContact OG1-OD2 2.91Å; A20-D26 PolarHBondContact N-OD2 3.37Å; D23-D26 HydrophobicContact CB-CB 4.14Å; D23-D26 VanDerWaalsContact O-CB 3.28Å; D23-D26 WeakPolarHBondContact O-CB 3.31Å; D23-D26 PolarHBondContact O-N 3.14Å; D26-N28 PolarHBondContact O-N 3Å; D26-N28 VanDerWaalsContact OD1-CA 3.31Å; D26-N28 WeakPolarHBondContact OD1-CA 3.3Å; D26-N28 VanDerWaalsContact OD1-CB 3.26Å; D26-N28 WeakPolarHBondContact OD1-CB 3.41Å; D26-N28 PolarHBondContact OD1-N 3.34Å; D26-Y29 VanDerWaalsContact O-CB 3.23Å; D26-Y29 WeakPolarHBondContact O-CB 3.24Å; D26-Y29 PolarHBondContact O-N 2.92Å |
| 27 | E | 97.1 | Very high | 97.1 | Very high | 154 Ų | 154 | 87.3 Ų | 87.3 | 72% | 0.72 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.1 | 179.1 | 54 | 161.6 | -150.3 | 0 | 0 | 113 | T25 K31 | T25-E27 PolarHBondContact O-N 2.94Å; E27-K31 WeakPolarHBondContact O-CE 3.36Å; E27-K31 PolarHBondContact O-NZ 3.4Å |
| 28 | N | 97.4 | Very high | 97.2 | Very high | 43 Ų | 43 | 81.6 Ų | 81.6 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 5.9 | -178.9 | -61.3 | -49.2 | 0 | 0 | 0 | 113.4 | A20 D26 R30 K31 P34 | A20-N28 HydrophobicContact CB-CB 4.21Å; D26-N28 PolarHBondContact O-N 3Å; D26-N28 VanDerWaalsContact OD1-CA 3.31Å; D26-N28 WeakPolarHBondContact OD1-CA 3.3Å; D26-N28 VanDerWaalsContact OD1-CB 3.26Å; D26-N28 WeakPolarHBondContact OD1-CB 3.41Å; D26-N28 PolarHBondContact OD1-N 3.34Å; N28-R30 PolarHBondContact O-N 3.34Å; N28-R30 VanDerWaalsContact O-N 3.07Å; N28-K31 HydrophobicContact CB-CD 4.47Å; N28-K31 WeakPolarHBondContact O-CB 3.37Å; N28-K31 PolarHBondContact O-N 3.03Å; N28-K31 PolarHBondContact OD1-NZ 3.46Å; N28-P34 HydrophobicContact CB-CB 3.79Å; N28-P34 HydrophobicContact CB-CG 3.92Å |
| 29 | Y | 97.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 86.2 Ų | 86.2 | 22% | 0.216 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | 116 | 179.7 | 178.7 | -115.1 | 0 | 0 | 0 | 112.3 | A20 D23 R24 D26 K31 | A20-Y29 WeakPolarHBondContact O-CA 3.36Å; D23-Y29 VanDerWaalsContact O-CB 3.27Å; D23-Y29 WeakPolarHBondContact O-CB 3.23Å; D23-Y29 WeakPolarHBondContact O-CD2 3.41Å; R24-Y29 HydrophobicContact CB-CD1 4.49Å; R24-Y29 HydrophobicContact CB-CE1 4.41Å; R24-Y29 HydrophobicContact CG-CD1 4.4Å; R24-Y29 HydrophobicContact CG-CE1 3.85Å; R24-Y29 HydrophobicContact CG-CE2 4.11Å; D26-Y29 VanDerWaalsContact O-CB 3.23Å; D26-Y29 WeakPolarHBondContact O-CB 3.24Å; D26-Y29 PolarHBondContact O-N 2.92Å; Y29-K31 PolarHBondContact O-N 3.13Å |
| 30 | R | 92.3 | Very high | 97.1 | Very high | 178 Ų | 178 | 88.9 Ų | 88.9 | 67% | 0.672 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 16.6 | 179.9 | -63.7 | -175.1 | 175.9 | 178.6 | -0.6 | 115.6 | A20 N28 R32 S35 | A20-R30 PolarHBondContact O-N 3.46Å; N28-R30 PolarHBondContact O-N 3.34Å; N28-R30 VanDerWaalsContact O-N 3.07Å; R30-R32 PolarHBondContact O-N 2.98Å; R30-S35 WeakPolarHBondContact CA-OG 3.26Å |
| 31 | K | 97.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 93 Ų | 93 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | trans | -65.3 | 136.7 | 165.2 | -69.8 | -173.3 | -169.1 | 153.6 | 0 | 108 | E27 N28 Y29 L33 P34 S35 | E27-K31 WeakPolarHBondContact O-CE 3.36Å; E27-K31 PolarHBondContact O-NZ 3.4Å; N28-K31 HydrophobicContact CB-CD 4.47Å; N28-K31 WeakPolarHBondContact O-CB 3.37Å; N28-K31 PolarHBondContact O-N 3.03Å; N28-K31 PolarHBondContact OD1-NZ 3.46Å; Y29-K31 PolarHBondContact O-N 3.13Å; K31-L33 PolarHBondContact O-N 2.95Å; K31-P34 HydrophobicContact CB-CB 4.43Å; K31-P34 HydrophobicContact CB-CG 3.81Å; K31-P34 HydrophobicContact CD-CG 4.49Å; K31-P34 WeakPolarHBondContact O-CD 3.46Å; K31-S35 VanDerWaalsContact O-CB 3.27Å; K31-S35 WeakPolarHBondContact O-CB 3.47Å; K31-S35 PolarHBondContact O-N 3.12Å; K31-S35 PolarHBondContact O-OG 3.44Å | ||
| 32 | R | 97.1 | Very high | 97.1 | Very high | 191 Ų | 191 | 92 Ų | 92 | 72% | 0.721 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -53.7 | -61.1 | -172 | -177.8 | 177.6 | 171.6 | -167.4 | -5.4 | 113.1 | R30 S35 E36 | R30-R32 PolarHBondContact O-N 2.98Å; R32-S35 PolarHBondContact O-N 3.23Å; R32-E36 HydrophobicContact CG-CG 4.45Å; R32-E36 WeakPolarHBondContact CG-OE1 3.47Å; R32-E36 IonicContact CZ-OE1 3.45Å; R32-E36 IonicContact NE-OE1 4Å; R32-E36 PolarHBondContact NE-OE1 3Å; R32-E36 IonicContact NE-OE2 2.78Å; R32-E36 IonicContact NH2-OE1 2.84Å; R32-E36 PolarHBondContact NH2-OE1 3.04Å; R32-E36 WeakPolarHBondContact O-CG 3.49Å; R32-E36 PolarHBondContact O-N 3.22Å |
| 33 | L | 97.8 | Very high | 97 | Very high | 111 Ų | 111 | 89.2 Ų | 89.2 | 58% | 0.581 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.9 | -46.7 | -175.6 | 179.1 | 70.4 | 0 | 0 | 0 | 112.9 | K31 S35 E36 N37 | K31-L33 PolarHBondContact O-N 2.95Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 2.98Å; L33-E36 PolarHBondContact O-N 3.45Å; L33-N37 VanDerWaalsContact O-CG 3.27Å; L33-N37 PolarHBondContact O-N 2.97Å |
| 34 | P | 97.4 | Very high | 96.8 | Very high | 35 Ų | 35 | 89.6 Ų | 89.6 | 23% | 0.227 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.9 | -37.4 | 172.8 | -28.7 | 37.4 | 0 | 0 | 0 | 114.1 | A20 N28 K31 A38 | A20-P34 HydrophobicContact CB-CB 4.37Å; N28-P34 HydrophobicContact CB-CB 3.79Å; N28-P34 HydrophobicContact CB-CG 3.92Å; K31-P34 HydrophobicContact CB-CB 4.43Å; K31-P34 HydrophobicContact CB-CG 3.81Å; K31-P34 HydrophobicContact CD-CG 4.49Å; K31-P34 WeakPolarHBondContact O-CD 3.46Å; P34-A38 VanDerWaalsContact O-CB 3.23Å; P34-A38 WeakPolarHBondContact O-CB 3.48Å; P34-A38 PolarHBondContact O-N 3.25Å |
| 35 | S | 96.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 82.9 Ų | 82.9 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 112 | R30 K31 R32 L33 A38 W39 | R30-S35 WeakPolarHBondContact CA-OG 3.26Å; K31-S35 VanDerWaalsContact O-CB 3.27Å; K31-S35 WeakPolarHBondContact O-CB 3.47Å; K31-S35 PolarHBondContact O-N 3.12Å; K31-S35 PolarHBondContact O-OG 3.44Å; R32-S35 PolarHBondContact O-N 3.23Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 2.98Å; S35-A38 PolarHBondContact O-N 3.2Å; S35-W39 PolarHBondContact O-N 3.27Å |
| 36 | E | 97.8 | Very high | 96.1 | Very high | 83 Ų | 83 | 78.6 Ų | 78.6 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.7 | -51.3 | 174.2 | -73.4 | 170 | 175.8 | 0 | 0 | 109.9 | R32 L33 A38 W39 D40 | R32-E36 HydrophobicContact CG-CG 4.45Å; R32-E36 WeakPolarHBondContact CG-OE1 3.47Å; R32-E36 IonicContact CZ-OE1 3.45Å; R32-E36 IonicContact NE-OE1 4Å; R32-E36 PolarHBondContact NE-OE1 3Å; R32-E36 IonicContact NE-OE2 2.78Å; R32-E36 IonicContact NH2-OE1 2.84Å; R32-E36 PolarHBondContact NH2-OE1 3.04Å; R32-E36 WeakPolarHBondContact O-CG 3.49Å; R32-E36 PolarHBondContact O-N 3.22Å; L33-E36 PolarHBondContact O-N 3.45Å; E36-A38 VanDerWaalsContact C-N 3.33Å; E36-A38 PolarHBondContact O-N 2.93Å; E36-W39 PolarHBondContact O-N 3.26Å; E36-W39 VanDerWaalsContact O-N 3.14Å; E36-D40 PolarHBondContact O-N 3.06Å |
| 37 | N | 97.8 | Very high | 95.2 | Very high | 84 Ų | 84 | 80.1 Ų | 80.1 | 45% | 0.449 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 176.9 | -67.7 | -9.9 | 0 | 0 | 0 | 112.7 | L33 W39 D40 M41 | L33-N37 VanDerWaalsContact O-CG 3.27Å; L33-N37 PolarHBondContact O-N 2.97Å; N37-W39 VanDerWaalsContact C-N 3.34Å; N37-W39 PolarHBondContact O-N 2.78Å; N37-D40 PolarHBondContact O-N 3.33Å; N37-M41 WeakPolarHBondContact O-CG 3.23Å; N37-M41 PolarHBondContact O-N 2.72Å |
| 38 | A | 97.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 80.8 Ų | 80.8 | 3% | 0.033 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q18 L21 P34 S35 E36 M41 V42 | Q18-A38 HydrophobicContact CB-CB 3.83Å; Q18-A38 HydrophobicContact CG-CB 4.07Å; L21-A38 HydrophobicContact CD1-CB 4.14Å; L21-A38 HydrophobicContact CD2-CB 3.78Å; L21-A38 HydrophobicContact CG-CB 3.83Å; P34-A38 VanDerWaalsContact O-CB 3.23Å; P34-A38 WeakPolarHBondContact O-CB 3.48Å; P34-A38 PolarHBondContact O-N 3.25Å; S35-A38 PolarHBondContact O-N 3.2Å; E36-A38 VanDerWaalsContact C-N 3.33Å; E36-A38 PolarHBondContact O-N 2.93Å; A38-M41 PolarHBondContact O-N 3.3Å; A38-V42 WeakPolarHBondContact O-CG2 3.29Å; A38-V42 PolarHBondContact O-N 2.98Å |
| 39 | W | 97.1 | Very high | 91.6 | Very high | 136 Ų | 136 | 86.4 Ų | 86.4 | 52% | 0.515 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.4 | -36.7 | 175.7 | -77.6 | 121.1 | 0 | 0 | 0 | 112.7 | V15 L21 S35 E36 N37 M41 V42 A43 | V15-W39 HydrophobicContact CG2-CH2 4.25Å; V15-W39 HydrophobicContact CG2-CZ3 4.02Å; L21-W39 HydrophobicContact CD1-CD2 4.12Å; L21-W39 HydrophobicContact CD1-CE3 4.29Å; L21-W39 HydrophobicContact CD1-CH2 4.2Å; L21-W39 HydrophobicContact CD1-CZ2 4.03Å; L21-W39 HydrophobicContact CD1-CZ3 4.33Å; L21-W39 HydrophobicContact CD2-CD2 4.32Å; L21-W39 HydrophobicContact CD2-CG 4.35Å; L21-W39 HydrophobicContact CD2-CZ2 4.28Å; S35-W39 PolarHBondContact O-N 3.27Å; E36-W39 PolarHBondContact O-N 3.26Å; E36-W39 VanDerWaalsContact O-N 3.14Å; N37-W39 VanDerWaalsContact C-N 3.34Å; N37-W39 PolarHBondContact O-N 2.78Å; W39-M41 VanDerWaalsContact C-N 3.32Å; W39-M41 PolarHBondContact O-N 2.64Å; W39-V42 HydrophobicContact CE3-CB 4.16Å; W39-V42 HydrophobicContact CE3-CG1 4.22Å; W39-V42 HydrophobicContact CE3-CG2 4.42Å; W39-V42 HydrophobicContact CZ3-CG1 4.19Å; W39-V42 PolarHBondContact O-N 2.79Å; W39-A43 WeakPolarHBondContact O-CB 3.37Å; W39-A43 PolarHBondContact O-N 3.02Å |
| 40 | D | 97.1 | Very high | 91.3 | Very high | 110 Ų | 110 | 88 Ų | 88 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.6 | -42.7 | 172.7 | -71 | -23.4 | 0 | 0 | 0 | 111.1 | E36 N37 A43 S44 | E36-D40 PolarHBondContact O-N 3.06Å; N37-D40 PolarHBondContact O-N 3.33Å; D40-A43 PolarHBondContact O-N 2.94Å; D40-S44 PolarHBondContact O-N 3.49Å |
| 41 | M | 96.6 | Very high | 91.3 | Very high | 97 Ų | 97 | 83.3 Ų | 83.3 | 48% | 0.478 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 174.9 | -67.1 | -61.5 | -66.7 | 0 | 0 | 111.7 | N37 A38 W39 A43 S44 E45 | N37-M41 WeakPolarHBondContact O-CG 3.23Å; N37-M41 PolarHBondContact O-N 2.72Å; A38-M41 PolarHBondContact O-N 3.3Å; W39-M41 VanDerWaalsContact C-N 3.32Å; W39-M41 PolarHBondContact O-N 2.64Å; M41-A43 VanDerWaalsContact C-N 3.32Å; M41-A43 PolarHBondContact O-N 3.09Å; M41-S44 PolarHBondContact O-N 3.25Å; M41-S44 PolarHBondContact O-OG 3.42Å; M41-E45 PolarHBondContact O-N 2.87Å; M41-E45 VanDerWaalsContact O-N 3.09Å |
| 42 | V | 96.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 82.3 Ų | 82.3 | 3% | 0.03 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L11 V15 Q18 L21 A38 W39 S44 E45 V46 | L11-V42 HydrophobicContact CD1-CG1 3.64Å; V15-V42 HydrophobicContact CG2-CG1 4.12Å; V15-V42 HydrophobicContact CG2-CG2 4.06Å; Q18-V42 HydrophobicContact CG-CG2 3.82Å; L21-V42 HydrophobicContact CD1-CG2 4.39Å; A38-V42 WeakPolarHBondContact O-CG2 3.29Å; A38-V42 PolarHBondContact O-N 2.98Å; W39-V42 HydrophobicContact CE3-CB 4.16Å; W39-V42 HydrophobicContact CE3-CG1 4.22Å; W39-V42 HydrophobicContact CE3-CG2 4.42Å; W39-V42 HydrophobicContact CZ3-CG1 4.19Å; W39-V42 PolarHBondContact O-N 2.79Å; V42-S44 VanDerWaalsContact C-N 3.35Å; V42-S44 PolarHBondContact O-N 3.35Å; V42-E45 PolarHBondContact O-N 3.31Å; V42-V46 HydrophobicContact CG1-CG2 4.28Å; V42-V46 WeakPolarHBondContact O-CB 3.35Å; V42-V46 VanDerWaalsContact O-CG2 3.29Å; V42-V46 WeakPolarHBondContact O-CG2 3.42Å; V42-V46 PolarHBondContact O-N 3.48Å |
| 43 | A | 94.4 | Very high | 90.6 | Very high | 60 Ų | 60 | 75.9 Ų | 75.9 | 50% | 0.496 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | W39 D40 M41 G47 | W39-A43 WeakPolarHBondContact O-CB 3.37Å; W39-A43 PolarHBondContact O-N 3.02Å; D40-A43 PolarHBondContact O-N 2.94Å; M41-A43 VanDerWaalsContact C-N 3.32Å; M41-A43 PolarHBondContact O-N 3.09Å; A43-G47 WeakPolarHBondContact O-CA 3.4Å; A43-G47 PolarHBondContact O-N 2.85Å |
| 44 | S | 93.8 | Very high | 90.1 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.9 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | D40 M41 V42 | D40-S44 PolarHBondContact O-N 3.49Å; M41-S44 PolarHBondContact O-N 3.25Å; M41-S44 PolarHBondContact O-OG 3.42Å; V42-S44 VanDerWaalsContact C-N 3.35Å; V42-S44 PolarHBondContact O-N 3.35Å |
| 45 | E | 91 | Very high | 89.6 | Confident | 61 Ų | 61 | 76.3 Ų | 76.3 | 29% | 0.285 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -75.4 | -30.4 | -179.3 | -70.2 | -169.9 | 168.2 | 0 | 0 | 113.7 | S14 K17 M41 V42 | S14-E45 WeakPolarHBondContact CA-OE2 3.45Å; S14-E45 VanDerWaalsContact CB-OE2 3.23Å; S14-E45 WeakPolarHBondContact CB-OE2 3.38Å; S14-E45 WeakPolarHBondContact OG-CB 3.48Å; S14-E45 PolarHBondContact OG-OE2 3.32Å; K17-E45 IonicContact NZ-OE1 3.61Å; K17-E45 PolarHBondContact NZ-OE1 2.84Å; K17-E45 IonicContact NZ-OE2 2.79Å; K17-E45 PolarHBondContact NZ-OE2 3Å; M41-E45 PolarHBondContact O-N 2.87Å; M41-E45 VanDerWaalsContact O-N 3.09Å; V42-E45 PolarHBondContact O-N 3.31Å |
| 46 | V | 89.5 | Confident | 89.1 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 21% | 0.212 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -95.1 | -28.2 | -176.6 | -179.7 | 0 | 0 | 0 | 0 | 112 | L11 V42 | L11-V46 HydrophobicContact CB-CG2 4.44Å; L11-V46 HydrophobicContact CD1-CG2 4.3Å; V42-V46 HydrophobicContact CG1-CG2 4.28Å; V42-V46 WeakPolarHBondContact O-CB 3.35Å; V42-V46 VanDerWaalsContact O-CG2 3.29Å; V42-V46 WeakPolarHBondContact O-CG2 3.42Å; V42-V46 PolarHBondContact O-N 3.48Å |
| 47 | G | 79.3 | Confident | 88.4 | Confident | 63 Ų | 63 | 80.2 Ų | 80.2 | 65% | 0.649 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -83.3 | -17.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A43 S49 | A43-G47 WeakPolarHBondContact O-CA 3.4Å; A43-G47 PolarHBondContact O-N 2.85Å; G47-S49 VanDerWaalsContact C-N 3.33Å; G47-S49 PolarHBondContact O-N 3.1Å; G47-S49 VanDerWaalsContact O-N 3.1Å |
| 48 | E | 65.7 | Low | 87.7 | Confident | 168 Ų | 168 | 79.8 Ų | 79.8 | 79% | 0.785 | 47% | 0.467 | S | S | * | . | trans | -76.6 | 85.1 | 164.5 | -72.4 | -170.8 | -176 | 0 | 0 | 109.1 | ||||
| 49 | S | 53.4 | Low | 86.7 | Confident | 161 Ų | 161 | 86.7 Ų | 86.7 | 100% | 1.126 | 51% | 0.506 | S | S | * | . | trans | -142.8 | 0 | 172.9 | -167.7 | 0 | 0 | 0 | 0 | 113.3 | G47 | G47-S49 VanDerWaalsContact C-N 3.33Å; G47-S49 PolarHBondContact O-N 3.1Å; G47-S49 VanDerWaalsContact O-N 3.1Å |
Retrieved 49 of 49 residues in 55.4 ms
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