| 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 | 77.4 | Confident | 88.5 | Confident | 114 Ų | 114 | 80.5 Ų | 80.5 | 56% | 0.562 | 45% | 0.446 | S | S | * | . | 0 | -24.7 | 0 | -61.4 | -48.7 | -73.7 | 0 | 0 | 113.9 | K3 V4 A27 S31 | M1-K3 PolarHBondContact O-N 3.05Å; M1-V4 HydrophobicContact CE-CG2 4.06Å; M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.2Å; M1-A27 HydrophobicContact CE-CB 3.56Å; M1-A27 WeakPolarHBondContact CE-O 3.24Å; M1-A27 HydrophobicContact SD-CB 3.78Å; M1-S31 VanDerWaalsContact CE-OG 3.25Å; M1-S31 WeakPolarHBondContact CE-OG 3.44Å | |||
| 2 | S | 85.9 | Confident | 88.6 | Confident | 82 Ų | 82 | 79.5 Ų | 79.5 | 57% | 0.573 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -49.2 | -39.2 | 171.9 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | V4 V5 N6 | S2-V4 VanDerWaalsContact C-N 3.27Å; S2-V4 PolarHBondContact O-N 2.71Å; S2-V5 PolarHBondContact O-N 2.99Å; S2-V5 VanDerWaalsContact O-N 3.11Å; S2-N6 PolarHBondContact O-N 3.46Å; S2-N6 PolarHBondContact O-OD1 3.2Å |
| 3 | K | 90.2 | Very high | 88.8 | Confident | 149 Ų | 149 | 85.2 Ų | 85.2 | 65% | 0.648 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -53.6 | -40.9 | 175.8 | -63.8 | -173.9 | 179.7 | -177 | 0 | 113.2 | M1 C7 L16 | M1-K3 PolarHBondContact O-N 3.05Å; K3-C7 PolarHBondContact O-N 3.47Å; K3-C7 VanDerWaalsContact O-N 3.07Å; K3-C7 PolarHBondContact O-SG 3.28Å; K3-L16 HydrophobicContact CB-CD2 4.23Å |
| 4 | V | 91.1 | Very high | 88.9 | Confident | 15 Ų | 15 | 82.7 Ų | 82.7 | 9% | 0.091 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 178.4 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | M1 S2 C7 L8 L16 L28 S31 | M1-V4 HydrophobicContact CE-CG2 4.06Å; M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.2Å; S2-V4 VanDerWaalsContact C-N 3.27Å; S2-V4 PolarHBondContact O-N 2.71Å; V4-C7 PolarHBondContact O-N 2.98Å; V4-L8 HydrophobicContact CG1-CD1 3.96Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 VanDerWaalsContact O-CG 3.29Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 3.36Å; V4-L16 HydrophobicContact CG2-CD1 3.48Å; V4-L16 VanDerWaalsContact CG2-CD1 3.48Å; V4-L28 HydrophobicContact CG2-CD2 3.83Å; V4-S31 WeakPolarHBondContact CG1-OG 3.5Å |
| 5 | V | 90.5 | Very high | 89 | Confident | 43 Ų | 43 | 84.2 Ų | 84.2 | 26% | 0.261 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | -179.7 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | S2 C7 L8 E9 | S2-V5 PolarHBondContact O-N 2.99Å; S2-V5 VanDerWaalsContact O-N 3.11Å; V5-C7 VanDerWaalsContact C-N 3.34Å; V5-C7 PolarHBondContact O-N 3.25Å; V5-L8 WeakPolarHBondContact O-CB 3.24Å; V5-L8 PolarHBondContact O-N 3.32Å; V5-E9 HydrophobicContact CG1-CG 4.45Å; V5-E9 WeakPolarHBondContact O-CG 3.42Å; V5-E9 PolarHBondContact O-N 3.34Å |
| 6 | N | 91 | Very high | 89 | Confident | 79 Ų | 79 | 83.3 Ų | 83.3 | 42% | 0.422 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.1 | -66.2 | 5.6 | 0 | 0 | 0 | 111.9 | S2 E9 Q10 | S2-N6 PolarHBondContact O-N 3.46Å; S2-N6 PolarHBondContact O-OD1 3.2Å; N6-E9 PolarHBondContact O-N 3.24Å; N6-Q10 WeakPolarHBondContact O-CB 3.42Å; N6-Q10 VanDerWaalsContact O-CG 3.27Å; N6-Q10 WeakPolarHBondContact O-CG 3.49Å; N6-Q10 PolarHBondContact O-N 3.2Å |
| 7 | C | 91.6 | Very high | 88.9 | Confident | 28 Ų | 28 | 89.1 Ų | 89.1 | 19% | 0.189 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 177.1 | -64.7 | 0 | 0 | 0 | 0 | 112 | K3 V4 V5 Q10 G11 T12 A14 | K3-C7 PolarHBondContact O-N 3.47Å; K3-C7 VanDerWaalsContact O-N 3.07Å; K3-C7 PolarHBondContact O-SG 3.28Å; V4-C7 PolarHBondContact O-N 2.98Å; V5-C7 VanDerWaalsContact C-N 3.34Å; V5-C7 PolarHBondContact O-N 3.25Å; C7-Q10 PolarHBondContact O-N 3.03Å; C7-G11 PolarHBondContact O-N 2.87Å; C7-T12 PolarHBondContact O-N 3.3Å; C7-A14 HydrophobicContact CB-CB 3.98Å; C7-A14 WeakPolarHBondContact SG-CB 3.48Å |
| 8 | L | 89.3 | Confident | 88.7 | Confident | 51 Ų | 51 | 86.5 Ų | 86.5 | 27% | 0.267 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 174.5 | -70.3 | 170.9 | 0 | 0 | 0 | 112.3 | V4 V5 T32 W35 | V4-L8 HydrophobicContact CG1-CD1 3.96Å; V4-L8 HydrophobicContact CG1-CG 4.39Å; V4-L8 VanDerWaalsContact O-CG 3.29Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 3.36Å; V5-L8 WeakPolarHBondContact O-CB 3.24Å; V5-L8 PolarHBondContact O-N 3.32Å; L8-T32 HydrophobicContact CD1-CG2 4.18Å; L8-W35 HydrophobicContact CB-CD2 3.92Å; L8-W35 HydrophobicContact CB-CG 4.11Å; L8-W35 HydrophobicContact CB-CZ2 3.86Å; L8-W35 HydrophobicContact CD1-CB 3.92Å; L8-W35 HydrophobicContact CD1-CD2 3.89Å; L8-W35 HydrophobicContact CD1-CE3 4.2Å; L8-W35 HydrophobicContact CD1-CG 3.78Å; L8-W35 HydrophobicContact CG-CD2 4.4Å; L8-W35 WeakPolarHBondContact O-CZ2 3.2Å |
| 9 | E | 88.2 | Confident | 88.4 | Confident | 119 Ų | 119 | 86.7 Ų | 86.7 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.1 | -42.1 | 175.6 | -74.6 | 174.5 | 177.9 | 0 | 0 | 112.5 | V5 N6 G11 | V5-E9 HydrophobicContact CG1-CG 4.45Å; V5-E9 WeakPolarHBondContact O-CG 3.42Å; V5-E9 PolarHBondContact O-N 3.34Å; N6-E9 PolarHBondContact O-N 3.24Å; E9-G11 VanDerWaalsContact C-N 3.3Å; E9-G11 PolarHBondContact O-N 3.02Å |
| 10 | Q | 89.5 | Confident | 88.1 | Confident | 139 Ų | 139 | 89.1 Ų | 89.1 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -77.5 | -13 | 178.7 | -67.7 | 175.8 | -3 | 0 | 0 | 113.5 | N6 C7 T12 | N6-Q10 WeakPolarHBondContact O-CB 3.42Å; N6-Q10 VanDerWaalsContact O-CG 3.27Å; N6-Q10 WeakPolarHBondContact O-CG 3.49Å; N6-Q10 PolarHBondContact O-N 3.2Å; C7-Q10 PolarHBondContact O-N 3.03Å; Q10-T12 VanDerWaalsContact C-N 3.26Å; Q10-T12 HydrophobicContact CB-CG2 3.84Å; Q10-T12 PolarHBondContact O-N 3.48Å |
| 11 | G | 88.7 | Confident | 87.6 | Confident | 67 Ų | 67 | 88.9 Ų | 88.9 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 30.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113 | C7 E9 | C7-G11 PolarHBondContact O-N 2.87Å; E9-G11 VanDerWaalsContact C-N 3.3Å; E9-G11 PolarHBondContact O-N 3.02Å |
| 12 | T | 89.5 | Confident | 87.5 | Confident | 68 Ų | 68 | 87.5 Ų | 87.5 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | trans | -104.5 | 153.4 | -175.4 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | C7 Q10 | C7-T12 PolarHBondContact O-N 3.3Å; Q10-T12 VanDerWaalsContact C-N 3.26Å; Q10-T12 HydrophobicContact CB-CG2 3.84Å; Q10-T12 PolarHBondContact O-N 3.48Å | ||
| 13 | N | 91.9 | Very high | 87.3 | Confident | 154 Ų | 154 | 85.5 Ų | 85.5 | 82% | 0.824 | 53% | 0.526 | S | S | * | . | trans | -78.5 | 139.9 | 173.2 | -62.2 | -39 | 0 | 0 | 0 | 110.1 | ||||
| 14 | A | 89.5 | Confident | 87.2 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | trans | -132.5 | 129.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C7 L16 | C7-A14 HydrophobicContact CB-CB 3.98Å; C7-A14 WeakPolarHBondContact SG-CB 3.48Å; A14-L16 HydrophobicContact CB-CD2 4.28Å; A14-L16 HydrophobicContact CB-CG 4.16Å | ||
| 15 | A | 91.3 | Very high | 86.9 | Confident | 105 Ų | 105 | 82.6 Ų | 82.6 | 87% | 0.868 | 52% | 0.515 | S | S | * | . | trans | -90.9 | 109.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 16 | L | 88.5 | Confident | 86.6 | Confident | 69 Ų | 69 | 85.7 Ų | 85.7 | 36% | 0.361 | 53% | 0.534 | S | S | . | . | trans | -108.4 | 107.4 | -175.4 | -63 | 174.7 | 0 | 0 | 0 | 110.8 | K3 V4 A14 L28 | K3-L16 HydrophobicContact CB-CD2 4.23Å; V4-L16 HydrophobicContact CG2-CD1 3.48Å; V4-L16 VanDerWaalsContact CG2-CD1 3.48Å; A14-L16 HydrophobicContact CB-CD2 4.28Å; A14-L16 HydrophobicContact CB-CG 4.16Å; L16-L28 HydrophobicContact CD1-CD2 4.04Å | ||
| 17 | E | 87.7 | Confident | 86.4 | Confident | 182 Ų | 182 | 83.3 Ų | 83.3 | 85% | 0.85 | 53% | 0.525 | S | S | * | . | trans | -82 | 141.9 | 169.8 | -72.1 | -62.6 | 159.1 | 0 | 0 | 111.1 | ||||
| 18 | S | 84.6 | Confident | 86.3 | Confident | 43 Ų | 43 | 85 Ų | 85 | 30% | 0.301 | 53% | 0.532 | S | S | . | . | trans | -147.8 | 154.7 | 173.6 | 29.5 | 0 | 0 | 0 | 0 | 109.2 | K24 | S18-K24 VanDerWaalsContact C-NZ 3.25Å; S18-K24 VanDerWaalsContact CB-CE 3.44Å; S18-K24 WeakPolarHBondContact O-CE 3.33Å; S18-K24 PolarHBondContact O-NZ 2.87Å; S18-K24 WeakPolarHBondContact OG-CD 3.4Å; S18-K24 WeakPolarHBondContact OG-CE 3.39Å; S18-K24 VanDerWaalsContact OG-CG 3.24Å; S18-K24 WeakPolarHBondContact OG-CG 3.18Å; S18-K24 PolarHBondContact OG-NZ 3.33Å | ||
| 19 | P | 83.8 | Confident | 86.2 | Confident | 90 Ų | 90 | 84.3 Ų | 84.3 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | trans | -69.1 | 148.4 | 174.5 | 19.2 | -23 | 0 | 0 | 0 | 111.3 | T22 K24 | P19-T22 HydrophobicContact CB-CG2 4.21Å; P19-T22 HydrophobicContact CG-CG2 3.67Å; P19-T22 PolarHBondContact O-OG1 3.49Å; P19-K24 WeakPolarHBondContact O-CE 3.13Å | ||
| 20 | T | 81.8 | Confident | 86.2 | Confident | 134 Ų | 134 | 82.5 Ų | 82.5 | 82% | 0.822 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 146.6 | 173.1 | 47 | 0 | 0 | 0 | 0 | 110.3 | T22 | T20-T22 PolarHBondContact O-N 3.33Š|
| 21 | G | 76.7 | Confident | 86.2 | Confident | 86 Ų | 86 | 76.3 Ų | 76.3 | 89% | 0.887 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 0.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | G23 | G21-G23 PolarHBondContact O-N 3.04Š|
| 22 | T | 76.5 | Confident | 86.2 | Confident | 84 Ų | 84 | 74.2 Ų | 74.2 | 52% | 0.515 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -93.9 | 18.6 | -176.5 | 56 | 0 | 0 | 0 | 0 | 115.6 | P19 T20 K24 | P19-T22 HydrophobicContact CB-CG2 4.21Å; P19-T22 HydrophobicContact CG-CG2 3.67Å; P19-T22 PolarHBondContact O-OG1 3.49Å; T20-T22 PolarHBondContact O-N 3.33Å; T22-K24 VanDerWaalsContact C-N 3.33Å; T22-K24 PolarHBondContact O-N 2.99Å |
| 23 | G | 81.9 | Confident | 86.1 | Confident | 41 Ų | 41 | 74.9 Ų | 74.9 | 42% | 0.423 | 47% | 0.474 | S | S | . | . | trans | 66.4 | 32.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G21 T25 V26 A27 | G21-G23 PolarHBondContact O-N 3.04Å; G23-T25 PolarHBondContact O-N 2.89Å; G23-T25 VanDerWaalsContact O-N 3.1Å; G23-V26 PolarHBondContact O-N 2.91Å; G23-A27 PolarHBondContact O-N 3.48Å | ||
| 24 | K | 86.6 | Confident | 85.9 | Confident | 65 Ų | 65 | 70.2 Ų | 70.2 | 28% | 0.283 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -45.3 | -45.2 | -178.3 | -53.6 | 179.4 | 171.3 | -141.1 | 0 | 113.5 | S18 P19 T22 A27 L28 | S18-K24 VanDerWaalsContact C-NZ 3.25Å; S18-K24 VanDerWaalsContact CB-CE 3.44Å; S18-K24 WeakPolarHBondContact O-CE 3.33Å; S18-K24 PolarHBondContact O-NZ 2.87Å; S18-K24 WeakPolarHBondContact OG-CD 3.4Å; S18-K24 WeakPolarHBondContact OG-CE 3.39Å; S18-K24 VanDerWaalsContact OG-CG 3.24Å; S18-K24 WeakPolarHBondContact OG-CG 3.18Å; S18-K24 PolarHBondContact OG-NZ 3.33Å; P19-K24 WeakPolarHBondContact O-CE 3.13Å; T22-K24 VanDerWaalsContact C-N 3.33Å; T22-K24 PolarHBondContact O-N 2.99Å; K24-A27 PolarHBondContact O-N 3.49Å; K24-L28 WeakPolarHBondContact O-CB 3.33Å; K24-L28 VanDerWaalsContact O-CG 3.29Å; K24-L28 WeakPolarHBondContact O-CG 3.47Å; K24-L28 PolarHBondContact O-N 3.11Å |
| 25 | T | 85.2 | Confident | 85.8 | Confident | 38 Ų | 38 | 69.1 Ų | 69.1 | 23% | 0.233 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.3 | -49.3 | -179.8 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | G23 A27 L28 L29 Y80 | G23-T25 PolarHBondContact O-N 2.89Å; G23-T25 VanDerWaalsContact O-N 3.1Å; T25-A27 VanDerWaalsContact C-N 3.34Å; T25-A27 PolarHBondContact O-N 3.38Å; T25-L28 PolarHBondContact O-N 3.4Å; T25-L29 HydrophobicContact CG2-CD1 3.92Å; T25-L29 HydrophobicContact CG2-CG 4.47Å; T25-L29 WeakPolarHBondContact O-CB 3.46Å; T25-L29 VanDerWaalsContact O-CG 3.29Å; T25-L29 WeakPolarHBondContact O-CG 3.47Å; T25-L29 PolarHBondContact O-N 2.9Å; T25-Y80 HydrophobicContact CG2-CE2 4.22Å; T25-Y80 VanDerWaalsContact CG2-OH 3.29Å; T25-Y80 WeakPolarHBondContact CG2-OH 3.34Å; T25-Y80 PolarHBondContact OG1-OH 2.86Å |
| 26 | V | 85.1 | Confident | 85.6 | Confident | 107 Ų | 107 | 65.2 Ų | 65.2 | 65% | 0.648 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | 178.6 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | G23 C30 | G23-V26 PolarHBondContact O-N 2.91Å; V26-C30 WeakPolarHBondContact O-CB 3.45Å; V26-C30 PolarHBondContact O-N 3.46Å |
| 27 | A | 87.3 | Confident | 85.5 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 25% | 0.248 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.4 | -52.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | M1 G23 K24 T25 L29 C30 S31 | M1-A27 HydrophobicContact CE-CB 3.56Å; M1-A27 WeakPolarHBondContact CE-O 3.24Å; M1-A27 HydrophobicContact SD-CB 3.78Å; G23-A27 PolarHBondContact O-N 3.48Å; K24-A27 PolarHBondContact O-N 3.49Å; T25-A27 VanDerWaalsContact C-N 3.34Å; T25-A27 PolarHBondContact O-N 3.38Å; A27-L29 PolarHBondContact O-N 3.27Å; A27-C30 PolarHBondContact O-N 3.49Å; A27-S31 PolarHBondContact O-N 3.19Å; A27-S31 PolarHBondContact O-OG 3.36Å |
| 28 | L | 88.4 | Confident | 85.4 | Confident | 63 Ų | 63 | 65 Ų | 65 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.5 | -51.7 | 179 | -75.8 | 170.3 | 0 | 0 | 0 | 111.5 | V4 L16 K24 T25 C30 S31 T32 | V4-L28 HydrophobicContact CG2-CD2 3.83Å; L16-L28 HydrophobicContact CD1-CD2 4.04Å; K24-L28 WeakPolarHBondContact O-CB 3.33Å; K24-L28 VanDerWaalsContact O-CG 3.29Å; K24-L28 WeakPolarHBondContact O-CG 3.47Å; K24-L28 PolarHBondContact O-N 3.11Å; T25-L28 PolarHBondContact O-N 3.4Å; L28-C30 VanDerWaalsContact C-N 3.32Å; L28-C30 PolarHBondContact O-N 3.11Å; L28-S31 PolarHBondContact O-N 2.93Å; L28-S31 PolarHBondContact O-OG 3Å; L28-T32 PolarHBondContact O-N 3.48Å; L28-T32 PolarHBondContact O-OG1 3.2Å |
| 29 | L | 87.5 | Confident | 85.1 | Confident | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.188 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 178.3 | -71.3 | 173.3 | 0 | 0 | 0 | 111.5 | T25 A27 S31 T32 I33 Y80 | T25-L29 HydrophobicContact CG2-CD1 3.92Å; T25-L29 HydrophobicContact CG2-CG 4.47Å; T25-L29 WeakPolarHBondContact O-CB 3.46Å; T25-L29 VanDerWaalsContact O-CG 3.29Å; T25-L29 WeakPolarHBondContact O-CG 3.47Å; T25-L29 PolarHBondContact O-N 2.9Å; A27-L29 PolarHBondContact O-N 3.27Å; L29-S31 PolarHBondContact O-N 3.23Å; L29-T32 PolarHBondContact O-N 2.95Å; L29-I33 HydrophobicContact CB-CD1 4.5Å; L29-I33 WeakPolarHBondContact O-CB 3.25Å; L29-I33 WeakPolarHBondContact O-CD1 3.48Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 3.49Å; L29-Y80 HydrophobicContact CD2-CD2 4.2Å; L29-Y80 HydrophobicContact CD2-CG 4.43Å |
| 30 | C | 88.3 | Confident | 84.5 | Confident | 81 Ų | 81 | 70.5 Ų | 70.5 | 55% | 0.547 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 178.5 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | V26 A27 L28 T32 I33 A34 | V26-C30 WeakPolarHBondContact O-CB 3.45Å; V26-C30 PolarHBondContact O-N 3.46Å; A27-C30 PolarHBondContact O-N 3.49Å; L28-C30 VanDerWaalsContact C-N 3.32Å; L28-C30 PolarHBondContact O-N 3.11Å; C30-T32 PolarHBondContact O-N 3.25Å; C30-I33 PolarHBondContact O-N 3.02Å; C30-A34 VanDerWaalsContact O-CB 3.24Å; C30-A34 WeakPolarHBondContact O-CB 3.27Å; C30-A34 PolarHBondContact O-N 3.19Å |
| 31 | S | 89.3 | Confident | 83.5 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 7% | 0.07 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.1 | 49.7 | 0 | 0 | 0 | 0 | 112.9 | M1 V4 A27 L28 L29 W35 | M1-S31 VanDerWaalsContact CE-OG 3.25Å; M1-S31 WeakPolarHBondContact CE-OG 3.44Å; V4-S31 WeakPolarHBondContact CG1-OG 3.5Å; A27-S31 PolarHBondContact O-N 3.19Å; A27-S31 PolarHBondContact O-OG 3.36Å; L28-S31 PolarHBondContact O-N 2.93Å; L28-S31 PolarHBondContact O-OG 3Å; L29-S31 PolarHBondContact O-N 3.23Å; S31-W35 WeakPolarHBondContact O-CB 3.4Å; S31-W35 PolarHBondContact O-N 3.05Å |
| 32 | T | 88.8 | Confident | 82.4 | Confident | 23 Ų | 23 | 69.9 Ų | 69.9 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -73.1 | -38.4 | -178.5 | -43.8 | 0 | 0 | 0 | 0 | 111.7 | L8 L28 L29 C30 W35 L36 I78 | L8-T32 HydrophobicContact CD1-CG2 4.18Å; L28-T32 PolarHBondContact O-N 3.48Å; L28-T32 PolarHBondContact O-OG1 3.2Å; L29-T32 PolarHBondContact O-N 2.95Å; C30-T32 PolarHBondContact O-N 3.25Å; T32-W35 PolarHBondContact O-N 3.3Å; T32-L36 WeakPolarHBondContact O-CB 3.29Å; T32-L36 PolarHBondContact O-N 3.39Å; T32-I78 HydrophobicContact CG2-CB 4.38Å; T32-I78 HydrophobicContact CG2-CD1 3.46Å; T32-I78 VanDerWaalsContact CG2-CD1 3.46Å; T32-I78 HydrophobicContact CG2-CG1 3.6Å; T32-I78 HydrophobicContact CG2-CG2 3.88Å |
| 33 | I | 86.4 | Confident | 81.1 | Confident | 82 Ų | 82 | 74.4 Ų | 74.4 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 174.6 | -68.2 | 166.4 | 0 | 0 | 0 | 110.5 | L29 C30 L36 K37 I78 | L29-I33 HydrophobicContact CB-CD1 4.5Å; L29-I33 WeakPolarHBondContact O-CB 3.25Å; L29-I33 WeakPolarHBondContact O-CD1 3.48Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 3.49Å; C30-I33 PolarHBondContact O-N 3.02Å; I33-L36 PolarHBondContact O-N 2.72Å; I33-K37 HydrophobicContact CG2-CD 4.38Å; I33-K37 HydrophobicContact CG2-CG 4.47Å; I33-K37 WeakPolarHBondContact O-CB 3.39Å; I33-K37 WeakPolarHBondContact O-CG 3.35Å; I33-K37 PolarHBondContact O-N 3.21Å; I33-I78 HydrophobicContact CG1-CD1 4.37Å |
| 34 | A | 87.9 | Confident | 79.3 | Confident | 56 Ų | 56 | 78.8 Ų | 78.8 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C30 L36 K37 S38 | C30-A34 VanDerWaalsContact O-CB 3.24Å; C30-A34 WeakPolarHBondContact O-CB 3.27Å; C30-A34 PolarHBondContact O-N 3.19Å; A34-L36 PolarHBondContact O-N 2.91Å; A34-K37 PolarHBondContact O-N 3.3Å; A34-S38 PolarHBondContact O-N 3.35Å |
| 35 | W | 89.1 | Confident | 77.1 | Confident | 27 Ų | 27 | 84.5 Ų | 84.5 | 10% | 0.102 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.5 | 176.9 | 90.5 | 0 | 0 | 0 | 112.3 | L8 S31 T32 S38 R39 T76 | L8-W35 HydrophobicContact CB-CD2 3.92Å; L8-W35 HydrophobicContact CB-CG 4.11Å; L8-W35 HydrophobicContact CB-CZ2 3.86Å; L8-W35 HydrophobicContact CD1-CB 3.92Å; L8-W35 HydrophobicContact CD1-CD2 3.89Å; L8-W35 HydrophobicContact CD1-CE3 4.2Å; L8-W35 HydrophobicContact CD1-CG 3.78Å; L8-W35 HydrophobicContact CG-CD2 4.4Å; L8-W35 WeakPolarHBondContact O-CZ2 3.2Å; S31-W35 WeakPolarHBondContact O-CB 3.4Å; S31-W35 PolarHBondContact O-N 3.05Å; T32-W35 PolarHBondContact O-N 3.3Å; W35-S38 WeakPolarHBondContact O-CB 2.98Å; W35-S38 PolarHBondContact O-N 2.86Å; W35-R39 VanDerWaalsContact CE2-NE 3.3Å; W35-R39 PolarHBondContact O-N 2.96Å; W35-T76 HydrophobicContact CH2-CG2 4.02Å; W35-T76 HydrophobicContact CZ3-CG2 3.66Å |
| 36 | L | 87.2 | Confident | 74.5 | Confident | 22 Ų | 22 | 86.5 Ų | 86.5 | 12% | 0.115 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.5 | -175.4 | 67.3 | 0 | 0 | 0 | 112 | T32 I33 A34 S38 R39 R40 T76 I78 | T32-L36 WeakPolarHBondContact O-CB 3.29Å; T32-L36 PolarHBondContact O-N 3.39Å; I33-L36 PolarHBondContact O-N 2.72Å; A34-L36 PolarHBondContact O-N 2.91Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 3.31Å; L36-R39 PolarHBondContact O-N 3.18Å; L36-R40 PolarHBondContact O-N 3.4Å; L36-T76 HydrophobicContact CD1-CG2 3.82Å; L36-I78 HydrophobicContact CB-CD1 4.25Å; L36-I78 HydrophobicContact CD2-CD1 3.85Å; L36-I78 HydrophobicContact CD2-CG1 4.31Å |
| 37 | K | 85.7 | Confident | 72.1 | Confident | 142 Ų | 142 | 85.7 Ų | 85.7 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.5 | -39.6 | 175.9 | -78.9 | -176.4 | 174.8 | -174 | 0 | 111.7 | I33 A34 R39 R40 | I33-K37 HydrophobicContact CG2-CD 4.38Å; I33-K37 HydrophobicContact CG2-CG 4.47Å; I33-K37 WeakPolarHBondContact O-CB 3.39Å; I33-K37 WeakPolarHBondContact O-CG 3.35Å; I33-K37 PolarHBondContact O-N 3.21Å; A34-K37 PolarHBondContact O-N 3.3Å; K37-R39 PolarHBondContact O-N 3.29Å; K37-R40 PolarHBondContact O-N 3.07Å |
| 38 | S | 85 | Confident | 69.3 | Low | 104 Ų | 104 | 91 Ų | 91 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -28.9 | 177.2 | -172 | 0 | 0 | 0 | 0 | 113.3 | A34 W35 L36 | A34-S38 PolarHBondContact O-N 3.35Å; W35-S38 WeakPolarHBondContact O-CB 2.98Å; W35-S38 PolarHBondContact O-N 2.86Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 3.31Å |
| 39 | R | 79.2 | Confident | 67.1 | Low | 107 Ų | 107 | 94.4 Ų | 94.4 | 40% | 0.404 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -94 | -11.1 | -178.7 | -70.7 | -173.2 | 170.7 | -155.7 | 0.4 | 115 | W35 L36 K37 P41 | W35-R39 VanDerWaalsContact CE2-NE 3.3Å; W35-R39 PolarHBondContact O-N 2.96Å; L36-R39 PolarHBondContact O-N 3.18Å; K37-R39 PolarHBondContact O-N 3.29Å; R39-P41 WeakPolarHBondContact O-CD 3.25Å |
| 40 | R | 70.8 | Confident | 64.6 | Low | 142 Ų | 142 | 98 Ų | 98 | 54% | 0.536 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -69.2 | 123.4 | 171.9 | -72.7 | -175.7 | -171.8 | 158.8 | 3.5 | 106.7 | L36 K37 S42 | L36-R40 PolarHBondContact O-N 3.4Å; K37-R40 PolarHBondContact O-N 3.07Å; R40-S42 PolarHBondContact O-N 2.94Å |
| 41 | P | 59.9 | Low | 62 | Low | 114 Ų | 114 | 100.3 Ų | 100.3 | 74% | 0.74 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 118.6 | 170.9 | 23.1 | -29.8 | 0 | 0 | 0 | 106 | R39 E43 | R39-P41 WeakPolarHBondContact O-CD 3.25Å; P41-E43 PolarHBondContact O-N 3.11Å |
| 42 | S | 55 | Low | 59.2 | Low | 93 Ų | 93 | 105.9 Ų | 105.9 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 117.6 | 173.5 | -64.6 | 0 | 0 | 0 | 0 | 106.6 | R40 N44 | R40-S42 PolarHBondContact O-N 2.94Å; S42-N44 PolarHBondContact O-N 3.44Å |
| 43 | E | 49.2 | Very low | 56.6 | Low | 180 Ų | 180 | 113.2 Ų | 113.2 | 84% | 0.841 | 64% | 0.641 | S | S | * | * | trans | -68.8 | 55.5 | 168.8 | -67.6 | -179.8 | 168.9 | 0 | 0 | 109 | P41 H45 | P41-E43 PolarHBondContact O-N 3.11Å; E43-H45 VanDerWaalsContact C-N 3.33Å; E43-H45 PolarHBondContact O-N 3.04Å; E43-H45 PolarHBondContact O-ND1 2.98Å | ||
| 44 | N | 43.4 | Very low | 53.9 | Low | 132 Ų | 132 | 112.7 Ų | 112.7 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | trans | -83.1 | 87.3 | 166.2 | -75.9 | -18.5 | 0 | 0 | 0 | 106.3 | S42 G46 | S42-N44 PolarHBondContact O-N 3.44Å; N44-G46 PolarHBondContact O-N 3.49Å | ||
| 45 | H | 41.3 | Very low | 51.3 | Low | 186 Ų | 186 | 117.4 Ų | 117.4 | 86% | 0.861 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 14.9 | 98 | 130.5 | -67.7 | 64.4 | 0 | 0 | 0 | 114.9 | E43 | E43-H45 VanDerWaalsContact C-N 3.33Å; E43-H45 PolarHBondContact O-N 3.04Å; E43-H45 PolarHBondContact O-ND1 2.98Å |
| 46 | G | 29.9 | Very low | 48.8 | Very low | 80 Ų | 80 | 121.9 Ų | 121.9 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | trans | 82.1 | 86.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | N44 | N44-G46 PolarHBondContact O-N 3.49Š| ||
| 47 | A | 34.7 | Very low | 46.3 | Very low | 90 Ų | 90 | 125.5 Ų | 125.5 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | trans | -166.5 | 123 | 146 | 0 | 0 | 0 | 0 | 0 | 111.3 | V49 | A47-V49 PolarHBondContact O-N 3.21Š| ||
| 48 | T | 29.3 | Very low | 44.1 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | -29.1 | 118.8 | 166.1 | -43.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 49 | V | 42 | Very low | 41.6 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -116.4 | 112.9 | 163.9 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | A47 | A47-V49 PolarHBondContact O-N 3.21Š| ||
| 50 | T | 34.3 | Very low | 39.3 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | -65.5 | 139.7 | 167.2 | 44.8 | 0 | 0 | 0 | 0 | 110 | D52 | T50-D52 PolarHBondContact O-N 3.33Š| ||
| 51 | P | 34.2 | Very low | 37.6 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -85.9 | 93.3 | 179 | 33.9 | -27.4 | 0 | 0 | 0 | 108.4 | ||||
| 52 | D | 30.9 | Very low | 36.4 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | trans | -155.9 | 134 | 158.2 | -141.8 | -2.4 | 0 | 0 | 0 | 111.4 | T50 | T50-D52 PolarHBondContact O-N 3.33Š| ||
| 53 | Q | 33.1 | Very low | 35 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 73 | 119.6 | 164.3 | -61.1 | 163.9 | 16.2 | 0 | 0 | 118.8 | ||||
| 54 | G | 30.4 | Very low | 34.1 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 136 | 82.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 55 | D | 33.3 | Very low | 33.3 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | 68.3 | 105.7 | 140.9 | -63.6 | -23.3 | 0 | 0 | 0 | 121.7 | ||||
| 56 | C | 35.2 | Very low | 32.8 | Very low | 122 Ų | 122 | 135 Ų | 135 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -73.2 | 117.9 | 154.9 | 55 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 57 | C | 35.2 | Very low | 32.8 | Very low | 98 Ų | 98 | 137 Ų | 137 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | trans | -164.7 | 106.3 | 149.6 | 12.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 58 | I | 41 | Very low | 32.9 | Very low | 150 Ų | 150 | 144 Ų | 144 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -128.2 | 74.2 | 133.3 | -53 | -179.2 | 0 | 0 | 0 | 106.1 | N60 | I58-N60 PolarHBondContact O-N 2.88Š| ||
| 59 | N | 30.7 | Very low | 33.3 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -70.1 | 108.6 | 162.2 | -79.7 | -25.7 | 0 | 0 | 0 | 107.5 | ||||
| 60 | N | 32.4 | Very low | 32.7 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 144.8 | 79.3 | 150.1 | -78.4 | -18.8 | 0 | 0 | 0 | 111.3 | I58 | I58-N60 PolarHBondContact O-N 2.88Š| ||
| 61 | F | 33.8 | Very low | 32.9 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 77% | 0.772 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -158.8 | 99.8 | 141.9 | -137.8 | -102.9 | 0 | 0 | 0 | 111.8 | ||
| 62 | I | 34.6 | Very low | 33.2 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | trans | 43 | 98.1 | 151.9 | -49.6 | -174.9 | 0 | 0 | 0 | 117.1 | F64 | I62-F64 PolarHBondContact O-N 3.03Š| ||
| 63 | F | 25.6 | Very low | 33.7 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | trans | -47 | 118.4 | 155.6 | -125.2 | -105.9 | 0 | 0 | 0 | 111.4 | Q65 | F63-Q65 HydrophobicContact CD1-CG 3.98Å; F63-Q65 HydrophobicContact CE1-CG 3.87Å | ||
| 64 | F | 30.1 | Very low | 34.6 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | trans | -128.9 | 106.2 | 148.8 | -131.7 | -90.6 | 0 | 0 | 0 | 108 | I62 S66 | I62-F64 PolarHBondContact O-N 3.03Å; F64-S66 PolarHBondContact O-N 2.94Å | ||
| 65 | Q | 27.1 | Very low | 36.3 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -55.3 | 115.6 | 178.9 | -80.9 | -179.8 | -25 | 0 | 0 | 111 | F63 | F63-Q65 HydrophobicContact CD1-CG 3.98Å; F63-Q65 HydrophobicContact CE1-CG 3.87Å | ||
| 66 | S | 31.3 | Very low | 38.1 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -155.1 | 90.9 | 142.4 | -153.8 | 0 | 0 | 0 | 0 | 110 | F64 R68 | F64-S66 PolarHBondContact O-N 2.94Å; S66-R68 VanDerWaalsContact C-N 3.3Å; S66-R68 PolarHBondContact O-N 2.72Å | ||
| 67 | S | 29.9 | Very low | 40.1 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -11.9 | 35.8 | 168.2 | -50.6 | 0 | 0 | 0 | 0 | 123 | ||
| 68 | R | 36.7 | Very low | 42.2 | Very low | 238 Ų | 238 | 136.9 Ų | 136.9 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | trans | -138.3 | 9.2 | 173.2 | -66.1 | -165.2 | -177.6 | -156.2 | 1.1 | 117.1 | S66 G70 | S66-R68 VanDerWaalsContact C-N 3.3Å; S66-R68 PolarHBondContact O-N 2.72Å; R68-G70 PolarHBondContact O-N 3.48Å | ||
| 69 | V | 38.6 | Very low | 44.2 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | trans | -94.6 | 69.4 | -178.3 | -169.3 | 0 | 0 | 0 | 0 | 110.8 | L72 | V69-L72 HydrophobicContact CG1-CB 4.34Å; V69-L72 HydrophobicContact CG1-CD1 3.97Å; V69-L72 HydrophobicContact CG1-CG 4.5Å | ||
| 70 | G | 28 | Very low | 46.7 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | trans | -102.4 | 8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R68 | R68-G70 PolarHBondContact O-N 3.48Š| ||
| 71 | A | 38 | Very low | 49 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | -145.9 | 12.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | C73 | A71-C73 PolarHBondContact O-N 2.89Å; A71-C73 VanDerWaalsContact O-N 3.11Å | ||
| 72 | L | 42.2 | Very low | 51 | Low | 145 Ų | 145 | 124.6 Ų | 124.6 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | trans | -88.4 | 61.9 | 172.5 | -75.7 | 168.6 | 0 | 0 | 0 | 110.3 | V69 G74 | V69-L72 HydrophobicContact CG1-CB 4.34Å; V69-L72 HydrophobicContact CG1-CD1 3.97Å; V69-L72 HydrophobicContact CG1-CG 4.5Å; L72-G74 PolarHBondContact O-N 3.43Å | ||
| 73 | C | 40.1 | Very low | 52.8 | Low | 130 Ų | 130 | 130 Ų | 130 | 88% | 0.878 | 71% | 0.714 | S | S | * | * | trans | -60.5 | 105 | 164.4 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | A71 K75 | A71-C73 PolarHBondContact O-N 2.89Å; A71-C73 VanDerWaalsContact O-N 3.11Å; C73-K75 PolarHBondContact O-N 3.42Å | ||
| 74 | G | 53.2 | Low | 54.8 | Low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 87.4 | 3 | 139.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | L72 T76 | L72-G74 PolarHBondContact O-N 3.43Å; G74-T76 PolarHBondContact O-N 3.27Å |
| 75 | K | 65 | Low | 56.2 | Low | 173 Ų | 173 | 119.5 Ų | 119.5 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | trans | -85.8 | 103.8 | 177.3 | -161.8 | 170.9 | -174.4 | 173.9 | 0 | 111.5 | C73 Q77 | C73-K75 PolarHBondContact O-N 3.42Å; K75-Q77 PolarHBondContact O-N 3.39Å | ||
| 76 | T | 72.1 | Confident | 57.8 | Low | 62 Ų | 62 | 116.7 Ų | 116.7 | 38% | 0.38 | 68% | 0.679 | S | S | . | * | trans | -62 | 123.5 | 170.7 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | W35 L36 G74 | W35-T76 HydrophobicContact CH2-CG2 4.02Å; W35-T76 HydrophobicContact CZ3-CG2 3.66Å; L36-T76 HydrophobicContact CD1-CG2 3.82Å; G74-T76 PolarHBondContact O-N 3.27Å | ||
| 77 | Q | 76.3 | Confident | 59.1 | Low | 173 Ų | 173 | 116.9 Ų | 116.9 | 81% | 0.808 | 67% | 0.669 | S | S | * | * | trans | -108.3 | 141.5 | 178.7 | -65.4 | -176.4 | -73.9 | 0 | 0 | 110.6 | K75 | K75-Q77 PolarHBondContact O-N 3.39Š| ||
| 78 | I | 80.4 | Confident | 60.5 | Low | 68 Ų | 68 | 112 Ų | 112 | 35% | 0.349 | 63% | 0.633 | S | S | . | * | trans | -101.2 | 116.3 | 174.6 | -58.5 | 169.2 | 0 | 0 | 0 | 107.6 | T32 I33 L36 | T32-I78 HydrophobicContact CG2-CB 4.38Å; T32-I78 HydrophobicContact CG2-CD1 3.46Å; T32-I78 VanDerWaalsContact CG2-CD1 3.46Å; T32-I78 HydrophobicContact CG2-CG1 3.6Å; T32-I78 HydrophobicContact CG2-CG2 3.88Å; I33-I78 HydrophobicContact CG1-CD1 4.37Å; L36-I78 HydrophobicContact CB-CD1 4.25Å; L36-I78 HydrophobicContact CD2-CD1 3.85Å; L36-I78 HydrophobicContact CD2-CG1 4.31Å | ||
| 79 | L | 83.3 | Confident | 61.4 | Low | 163 Ų | 163 | 104 Ų | 104 | 85% | 0.853 | 61% | 0.613 | S | S | * | * | trans | -98.1 | 118.2 | 170.9 | -177.9 | 65.9 | 0 | 0 | 0 | 109 | ||||
| 80 | Y | 83 | Confident | 62.3 | Low | 61 Ų | 61 | 105.2 Ų | 105.2 | 24% | 0.239 | 61% | 0.611 | C | S | . | * | trans | -111.7 | 125.7 | 173.8 | -179.7 | -90.5 | 0 | 0 | 0 | 109.7 | T25 L29 L88 | T25-Y80 HydrophobicContact CG2-CE2 4.22Å; T25-Y80 VanDerWaalsContact CG2-OH 3.29Å; T25-Y80 WeakPolarHBondContact CG2-OH 3.34Å; T25-Y80 PolarHBondContact OG1-OH 2.86Å; L29-Y80 HydrophobicContact CD2-CD2 4.2Å; L29-Y80 HydrophobicContact CD2-CG 4.43Å; Y80-L88 HydrophobicContact CD1-CD1 4.02Å; Y80-L88 HydrophobicContact CD1-CD2 3.24Å; Y80-L88 HydrophobicContact CD1-CG 4.12Å; Y80-L88 HydrophobicContact CE1-CD1 4.06Å; Y80-L88 HydrophobicContact CE1-CD2 3.34Å; Y80-L88 HydrophobicContact CE1-CG 3.96Å; Y80-L88 HydrophobicContact CG-CD2 4.35Å | ||
| 81 | A | 78.9 | Confident | 63.8 | Low | 91 Ų | 91 | 103.3 Ų | 103.3 | 75% | 0.752 | 58% | 0.583 | S | S | * | * | trans | -115 | 127.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 82 | S | 76.7 | Confident | 65 | Low | 42 Ų | 42 | 104 Ų | 104 | 29% | 0.294 | 58% | 0.581 | S | S | . | * | trans | -123.6 | 156.2 | 170.6 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | T84 Q87 | S82-T84 VanDerWaalsContact C-N 3.31Å; S82-T84 PolarHBondContact OG-N 2.86Å; S82-T84 PolarHBondContact OG-O 3.33Å; S82-Q87 PolarHBondContact OG-OE1 2.78Å | ||
| 83 | R | 73.2 | Confident | 66 | Low | 247 Ų | 247 | 98.2 Ų | 98.2 | 93% | 0.932 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -69.9 | -27.6 | 175.3 | -173.5 | 176.8 | -179.4 | -179.6 | 0.8 | 112.4 | ||
| 84 | T | 66.7 | Low | 67.4 | Low | 74 Ų | 74 | 99.2 Ų | 99.2 | 45% | 0.454 | 55% | 0.545 | S | S | . | . | trans | -130.6 | 134.5 | -174.8 | 58.7 | 0 | 0 | 0 | 0 | 112 | S82 A86 | S82-T84 VanDerWaalsContact C-N 3.31Å; S82-T84 PolarHBondContact OG-N 2.86Å; S82-T84 PolarHBondContact OG-O 3.33Å; T84-A86 PolarHBondContact O-N 2.92Å | ||
| 85 | H | 59.8 | Low | 68.3 | Low | 88 Ų | 88 | 97.3 Ų | 97.3 | 41% | 0.407 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -62.3 | -25.9 | 179.9 | -86.6 | -91.9 | 0 | 0 | 0 | 113.8 | Q87 L88 Q99 | H85-Q87 PolarHBondContact O-N 3.5Å; H85-L88 PolarHBondContact O-N 3.01Å; H85-Q99 PolarHBondContact NE2-NE2 2.81Å; H85-Q99 PolarHBondContact NE2-OE1 2.92Å |
| 86 | A | 59.8 | Low | 69.2 | Low | 103 Ų | 103 | 91.7 Ų | 91.7 | 85% | 0.851 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -61.4 | -12.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T84 | T84-A86 PolarHBondContact O-N 2.92Š|
| 87 | Q | 59.3 | Low | 69.7 | Low | 110 Ų | 110 | 91.5 Ų | 91.5 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -97.5 | 2.3 | -176.4 | -63.8 | -177.4 | -31 | 0 | 0 | 114.3 | S82 H85 | S82-Q87 PolarHBondContact OG-OE1 2.78Å; H85-Q87 PolarHBondContact O-N 3.5Å |
| 88 | L | 59 | Low | 70.1 | Confident | 21 Ų | 21 | 86 Ų | 86 | 11% | 0.11 | 48% | 0.477 | C | S | . | . | trans | -124.9 | 24.1 | -158.6 | -80.1 | 173.4 | 0 | 0 | 0 | 118 | Y80 H85 Q90 V91 F93 | Y80-L88 HydrophobicContact CD1-CD1 4.02Å; Y80-L88 HydrophobicContact CD1-CD2 3.24Å; Y80-L88 HydrophobicContact CD1-CG 4.12Å; Y80-L88 HydrophobicContact CE1-CD1 4.06Å; Y80-L88 HydrophobicContact CE1-CD2 3.34Å; Y80-L88 HydrophobicContact CE1-CG 3.96Å; Y80-L88 HydrophobicContact CG-CD2 4.35Å; H85-L88 PolarHBondContact O-N 3.01Å; L88-Q90 PolarHBondContact O-N 2.91Å; L88-V91 HydrophobicContact CB-CG2 4.09Å; L88-V91 HydrophobicContact CD2-CG2 3.57Å; L88-V91 HydrophobicContact CG-CG2 4.3Å; L88-V91 PolarHBondContact O-N 3.4Å; L88-F93 VanDerWaalsContact C-CZ 3.48Å; L88-F93 HydrophobicContact CB-CE1 3.84Å; L88-F93 HydrophobicContact CB-CZ 4.29Å; L88-F93 WeakPolarHBondContact O-CE1 3Å; L88-F93 WeakPolarHBondContact O-CZ 3.46Å | ||
| 89 | S | 55.9 | Low | 70.3 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -0.7 | -177.2 | 60.2 | 0 | 0 | 0 | 0 | 117.4 | ||
| 90 | Q | 57.8 | Low | 70.3 | Confident | 143 Ų | 143 | 80.1 Ų | 80.1 | 67% | 0.668 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.4 | 11 | -170.2 | -60.5 | -178.3 | -4.5 | 0 | 0 | 114.4 | L88 F165 | L88-Q90 PolarHBondContact O-N 2.91Å; Q90-F165 WeakPolarHBondContact O-CD2 3.37Å |
| 91 | V | 59.6 | Low | 70.5 | Confident | 41 Ų | 41 | 77.5 Ų | 77.5 | 25% | 0.248 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -130.4 | 158.4 | -176.7 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | L88 F93 | L88-V91 HydrophobicContact CB-CG2 4.09Å; L88-V91 HydrophobicContact CD2-CG2 3.57Å; L88-V91 HydrophobicContact CG-CG2 4.3Å; L88-V91 PolarHBondContact O-N 3.4Å; V91-F93 WeakPolarHBondContact O-CD2 3.44Å; V91-F93 WeakPolarHBondContact O-CE2 3.32Å; V91-F93 PolarHBondContact O-N 2.85Å |
| 92 | C | 62.2 | Low | 71 | Confident | 112 Ų | 112 | 73.7 Ų | 73.7 | 76% | 0.757 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 126.8 | 171.5 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 93 | F | 64.5 | Low | 71.6 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 10% | 0.096 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 128.8 | -177.4 | -67.6 | -89.5 | 0 | 0 | 0 | 111.3 | L88 V91 P166 D167 L171 | L88-F93 VanDerWaalsContact C-CZ 3.48Å; L88-F93 HydrophobicContact CB-CE1 3.84Å; L88-F93 HydrophobicContact CB-CZ 4.29Å; L88-F93 WeakPolarHBondContact O-CE1 3Å; L88-F93 WeakPolarHBondContact O-CZ 3.46Å; V91-F93 WeakPolarHBondContact O-CD2 3.44Å; V91-F93 WeakPolarHBondContact O-CE2 3.32Å; V91-F93 PolarHBondContact O-N 2.85Å; F93-P166 WeakPolarHBondContact CE2-O 3.26Å; F93-D167 HydrophobicContact CE2-CB 4.44Å; F93-L171 HydrophobicContact CB-CD1 3.99Å; F93-L171 HydrophobicContact CD2-CD1 3.95Å; F93-L171 HydrophobicContact CG-CD1 4.41Å |
| 94 | L | 69.3 | Low | 72.3 | Confident | 151 Ų | 151 | 64 Ų | 64 | 79% | 0.791 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -102.8 | 126.6 | 156.1 | -67.4 | 171.8 | 0 | 0 | 0 | 106.9 | ||
| 95 | G | 72.4 | Confident | 73.4 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | trans | -132.2 | 162.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 96 | S | 82.2 | Confident | 74.9 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | trans | -63.5 | 154.3 | 170.6 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | D98 Q99 L100 | S96-D98 PolarHBondContact O-N 3.16Å; S96-D98 PolarHBondContact OG-N 3.29Å; S96-D98 VanDerWaalsContact OG-N 3.16Å; S96-D98 PolarHBondContact OG-OD2 3.45Å; S96-Q99 PolarHBondContact O-N 3.49Å; S96-L100 PolarHBondContact O-N 3.05Å; S96-L100 VanDerWaalsContact O-N 3.1Å | ||
| 97 | R | 84.2 | Confident | 76.3 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 22% | 0.219 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.1 | -23.3 | 166.7 | -71.4 | 174.7 | 178.3 | 176.1 | -2.3 | 112 | Q99 C101 N116 | R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 3.39Å; R97-C101 WeakPolarHBondContact O-CB 3.24Å; R97-C101 PolarHBondContact O-N 3.06Å; R97-N116 VanDerWaalsContact CD-OD1 3.23Å; R97-N116 WeakPolarHBondContact CD-OD1 3.46Å |
| 98 | D | 84.6 | Confident | 77.8 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 32% | 0.316 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.8 | -33.3 | 174.2 | -63.5 | -52.8 | 0 | 0 | 0 | 113.9 | S96 S112 K115 | S96-D98 PolarHBondContact O-N 3.16Å; S96-D98 PolarHBondContact OG-N 3.29Å; S96-D98 VanDerWaalsContact OG-N 3.16Å; S96-D98 PolarHBondContact OG-OD2 3.45Å; D98-S112 WeakPolarHBondContact OD1-CA 3.36Å; D98-S112 WeakPolarHBondContact OD1-CB 3.44Å; D98-S112 WeakPolarHBondContact OD2-CB 3.26Å; D98-K115 VanDerWaalsContact OD1-CD 3.29Å; D98-K115 WeakPolarHBondContact OD1-CD 3.44Å; D98-K115 WeakPolarHBondContact OD1-CE 3.37Å; D98-K115 IonicContact OD1-NZ 2.64Å; D98-K115 PolarHBondContact OD1-NZ 3.42Å |
| 99 | Q | 83 | Confident | 79.3 | Confident | 85 Ų | 85 | 63.9 Ų | 63.9 | 40% | 0.397 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -95.1 | -35.7 | -177 | -64.5 | 169.1 | -27.3 | 0 | 0 | 111.5 | H85 S96 R97 I168 V172 | H85-Q99 PolarHBondContact NE2-NE2 2.81Å; H85-Q99 PolarHBondContact NE2-OE1 2.92Å; S96-Q99 PolarHBondContact O-N 3.49Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 3.39Å; Q99-I168 HydrophobicContact CB-CD1 3.82Å; Q99-I168 HydrophobicContact CG-CD1 4.44Å; Q99-V172 WeakPolarHBondContact O-CG2 3.18Å |
| 100 | L | 83.6 | Confident | 80.9 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -96.4 | -18 | -171 | -64 | 177.9 | 0 | 0 | 0 | 113.6 | S96 V102 I168 V172 W183 | S96-L100 PolarHBondContact O-N 3.05Å; S96-L100 VanDerWaalsContact O-N 3.1Å; L100-V102 PolarHBondContact O-N 3.42Å; L100-I168 HydrophobicContact CD2-CD1 3.99Å; L100-I168 HydrophobicContact CD2-CG1 3.63Å; L100-V172 HydrophobicContact CD2-CG2 4.04Å; L100-W183 HydrophobicContact CB-CE3 3.93Å; L100-W183 WeakPolarHBondContact O-CZ3 3.39Å |
| 101 | C | 88 | Confident | 82.6 | Confident | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | trans | -65.1 | 118.3 | -172.7 | -169.4 | 0 | 0 | 0 | 0 | 113.2 | R97 S107 W183 | R97-C101 WeakPolarHBondContact O-CB 3.24Å; R97-C101 PolarHBondContact O-N 3.06Å; C101-S107 VanDerWaalsContact O-CB 3.25Å; C101-S107 WeakPolarHBondContact O-CB 3.05Å; C101-S107 PolarHBondContact O-OG 2.92Å; C101-W183 VanDerWaalsContact CA-CH2 3.47Å; C101-W183 VanDerWaalsContact CA-CZ3 3.45Å; C101-W183 HydrophobicContact CB-CH2 4.13Å; C101-W183 HydrophobicContact CB-CZ3 4.49Å | ||
| 102 | V | 88.5 | Confident | 84.1 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | trans | -92.8 | -10.5 | 176.7 | -62.4 | 0 | 0 | 0 | 0 | 114.2 | L100 Y130 V172 K176 W183 | L100-V102 PolarHBondContact O-N 3.42Å; V102-Y130 HydrophobicContact CG2-CD1 3.46Å; V102-Y130 VanDerWaalsContact CG2-CD1 3.46Å; V102-Y130 HydrophobicContact CG2-CD2 4.32Å; V102-Y130 HydrophobicContact CG2-CE1 3.93Å; V102-Y130 HydrophobicContact CG2-CG 3.68Å; V102-V172 HydrophobicContact CG1-CG1 4.32Å; V102-K176 HydrophobicContact CB-CG 4.27Å; V102-K176 HydrophobicContact CG1-CG 4Å; V102-W183 HydrophobicContact CG2-CH2 3.93Å; V102-W183 HydrophobicContact CG2-CZ3 4.08Å | ||
| 103 | H | 90.3 | Very high | 85.5 | Confident | 17 Ų | 17 | 68.7 Ų | 68.7 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | trans | -70.9 | 123.7 | -176.6 | -176.9 | -59.5 | 0 | 0 | 0 | 110.5 | Q105 V106 S107 K122 Y130 | H103-Q105 PolarHBondContact ND1-N 2.77Å; H103-Q105 PolarHBondContact O-N 3.45Å; H103-V106 HydrophobicContact CB-CB 4.17Å; H103-V106 HydrophobicContact CB-CG2 4.28Å; H103-V106 PolarHBondContact O-N 3.43Å; H103-S107 WeakPolarHBondContact O-CB 2.83Å; H103-S107 PolarHBondContact O-N 3.4Å; H103-K122 WeakPolarHBondContact CE1-CE 3.38Å; H103-K122 PolarHBondContact CE1-NZ 2.95Å; H103-K122 WeakPolarHBondContact NE2-CD 3.08Å; H103-K122 WeakPolarHBondContact NE2-CE 3.35Å; H103-K122 PolarHBondContact NE2-NZ 2.74Å; H103-Y130 HydrophobicContact CB-CD2 3.88Å; H103-Y130 HydrophobicContact CB-CE2 3.99Å; H103-Y130 AromaticContact CD2-CD2 3.95Å | ||
| 104 | P | 88.8 | Confident | 86.8 | Confident | 67 Ų | 67 | 71.4 Ų | 71.4 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | -167.6 | 19.8 | -32.3 | 0 | 0 | 0 | 113.4 | V106 Q108 | P104-V106 PolarHBondContact O-N 3.34Å; P104-Q108 VanDerWaalsContact O-CD 3.32Å; P104-Q108 WeakPolarHBondContact O-CG 3.39Å; P104-Q108 PolarHBondContact O-N 2.81Å |
| 105 | Q | 89.5 | Confident | 87.9 | Confident | 115 Ų | 115 | 64.7 Ų | 64.7 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.1 | -30 | 178.8 | -63.3 | 173 | -20.2 | 0 | 0 | 114.1 | H103 | H103-Q105 PolarHBondContact ND1-N 2.77Å; H103-Q105 PolarHBondContact O-N 3.45Å |
| 106 | V | 91.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -89.4 | -38.8 | -174.3 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | H103 P104 Q108 E109 K115 L118 C119 K122 | H103-V106 HydrophobicContact CB-CB 4.17Å; H103-V106 HydrophobicContact CB-CG2 4.28Å; H103-V106 PolarHBondContact O-N 3.43Å; P104-V106 PolarHBondContact O-N 3.34Å; V106-Q108 PolarHBondContact O-N 3.15Å; V106-E109 PolarHBondContact O-N 2.99Å; V106-K115 HydrophobicContact CG1-CD 4.42Å; V106-K115 HydrophobicContact CG1-CG 3.49Å; V106-K115 VanDerWaalsContact CG1-CG 3.49Å; V106-K115 WeakPolarHBondContact O-CE 3.14Å; V106-K115 WeakPolarHBondContact O-CG 3.02Å; V106-L118 HydrophobicContact CG2-CB 4.15Å; V106-C119 HydrophobicContact CG1-CB 4.11Å; V106-K122 HydrophobicContact CG2-CD 3.69Å |
| 107 | S | 89.4 | Confident | 89.4 | Confident | 53 Ų | 53 | 70.9 Ų | 70.9 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.5 | -32.5 | 178.1 | -165.8 | 0 | 0 | 0 | 0 | 112.3 | C101 H103 E109 | C101-S107 VanDerWaalsContact O-CB 3.25Å; C101-S107 WeakPolarHBondContact O-CB 3.05Å; C101-S107 PolarHBondContact O-OG 2.92Å; H103-S107 WeakPolarHBondContact O-CB 2.83Å; H103-S107 PolarHBondContact O-N 3.4Å; S107-E109 VanDerWaalsContact C-N 3.3Å; S107-E109 PolarHBondContact O-N 3.1Å |
| 108 | Q | 90.3 | Very high | 89.8 | Confident | 153 Ų | 153 | 70.4 Ų | 70.4 | 72% | 0.715 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.1 | 178.7 | -75.1 | 173 | 12.5 | 0 | 0 | 114.2 | P104 V106 R110 | P104-Q108 VanDerWaalsContact O-CD 3.32Å; P104-Q108 WeakPolarHBondContact O-CG 3.39Å; P104-Q108 PolarHBondContact O-N 2.81Å; V106-Q108 PolarHBondContact O-N 3.15Å; Q108-R110 PolarHBondContact O-N 3.31Å |
| 109 | E | 91.1 | Very high | 90.2 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | trans | -67.9 | 131.4 | -179.8 | -66.4 | -57.5 | 158.9 | 0 | 0 | 111.6 | V106 S107 I114 K115 L118 | V106-E109 PolarHBondContact O-N 2.99Å; S107-E109 VanDerWaalsContact C-N 3.3Å; S107-E109 PolarHBondContact O-N 3.1Å; E109-I114 HydrophobicContact CG-CG2 4.36Å; E109-K115 HydrophobicContact CB-CB 4.2Å; E109-K115 WeakPolarHBondContact O-CE 3.39Å; E109-K115 PolarHBondContact O-NZ 3.23Å; E109-L118 HydrophobicContact CG-CD1 3.55Å | ||
| 110 | R | 89.6 | Confident | 90.7 | Very high | 245 Ų | 245 | 71.5 Ų | 71.5 | 93% | 0.925 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -82.2 | -33.4 | 179.5 | -60.9 | -175.8 | -167.4 | 165.7 | 3.8 | 112.6 | Q108 | Q108-R110 PolarHBondContact O-N 3.31Š|
| 111 | D | 92 | Very high | 91.2 | Very high | 74 Ų | 74 | 72.7 Ų | 72.7 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | trans | -82.9 | 120.4 | -180 | -171.1 | -23.1 | 0 | 0 | 0 | 110.3 | T113 I114 K115 | D111-T113 PolarHBondContact O-N 3.46Å; D111-T113 WeakPolarHBondContact OD1-CB 3.29Å; D111-T113 PolarHBondContact OD1-N 2.96Å; D111-T113 PolarHBondContact OD1-OG1 2.86Å; D111-I114 HydrophobicContact CB-CB 4.17Å; D111-I114 HydrophobicContact CB-CD1 3.93Å; D111-I114 HydrophobicContact CB-CG1 3.97Å; D111-I114 PolarHBondContact O-N 3.25Å; D111-K115 WeakPolarHBondContact O-CB 2.95Å; D111-K115 PolarHBondContact O-N 3.26Å | ||
| 112 | S | 90.9 | Very high | 91.4 | Very high | 48 Ų | 48 | 74 Ų | 74 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.3 | -31 | 179.6 | 63.7 | 0 | 0 | 0 | 0 | 112.4 | D98 N116 | D98-S112 WeakPolarHBondContact OD1-CA 3.36Å; D98-S112 WeakPolarHBondContact OD1-CB 3.44Å; D98-S112 WeakPolarHBondContact OD2-CB 3.26Å; S112-N116 VanDerWaalsContact O-CB 3.26Å; S112-N116 WeakPolarHBondContact O-CB 3.29Å; S112-N116 PolarHBondContact O-N 2.89Å; S112-N116 PolarHBondContact O-ND2 3.24Å |
| 113 | T | 92.2 | Very high | 91.5 | Very high | 100 Ų | 100 | 75.3 Ų | 75.3 | 61% | 0.613 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.9 | -47.8 | 179.2 | -49.9 | 0 | 0 | 0 | 0 | 110.5 | D111 N116 Y117 | D111-T113 PolarHBondContact O-N 3.46Å; D111-T113 WeakPolarHBondContact OD1-CB 3.29Å; D111-T113 PolarHBondContact OD1-N 2.96Å; D111-T113 PolarHBondContact OD1-OG1 2.86Å; T113-N116 PolarHBondContact O-N 3.45Å; T113-Y117 PolarHBondContact O-N 2.99Å |
| 114 | I | 91.9 | Very high | 91.6 | Very high | 78 Ų | 78 | 81.4 Ų | 81.4 | 40% | 0.4 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 177.2 | -59.7 | 178.7 | 0 | 0 | 0 | 109.7 | E109 D111 N116 Y117 L118 | E109-I114 HydrophobicContact CG-CG2 4.36Å; D111-I114 HydrophobicContact CB-CB 4.17Å; D111-I114 HydrophobicContact CB-CD1 3.93Å; D111-I114 HydrophobicContact CB-CG1 3.97Å; D111-I114 PolarHBondContact O-N 3.25Å; I114-N116 VanDerWaalsContact C-N 3.3Å; I114-N116 PolarHBondContact O-N 2.77Å; I114-Y117 WeakPolarHBondContact O-CB 3.24Å; I114-Y117 PolarHBondContact O-N 2.71Å; I114-Y117 VanDerWaalsContact O-N 3.13Å; I114-L118 HydrophobicContact CG2-CD1 4.24Å; I114-L118 HydrophobicContact CG2-CG 4.25Å; I114-L118 WeakPolarHBondContact O-CG 3.32Å; I114-L118 PolarHBondContact O-N 3.2Å |
| 115 | K | 92.9 | Very high | 91.8 | Very high | 11 Ų | 11 | 82.7 Ų | 82.7 | 5% | 0.048 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -55.7 | -45.8 | 175.7 | -169.8 | 176 | -65.4 | 150.2 | 0 | 111.9 | D98 V106 E109 D111 L118 C119 | D98-K115 VanDerWaalsContact OD1-CD 3.29Å; D98-K115 WeakPolarHBondContact OD1-CD 3.44Å; D98-K115 WeakPolarHBondContact OD1-CE 3.37Å; D98-K115 IonicContact OD1-NZ 2.64Å; D98-K115 PolarHBondContact OD1-NZ 3.42Å; V106-K115 HydrophobicContact CG1-CD 4.42Å; V106-K115 HydrophobicContact CG1-CG 3.49Å; V106-K115 VanDerWaalsContact CG1-CG 3.49Å; V106-K115 WeakPolarHBondContact O-CE 3.14Å; V106-K115 WeakPolarHBondContact O-CG 3.02Å; E109-K115 HydrophobicContact CB-CB 4.2Å; E109-K115 WeakPolarHBondContact O-CE 3.39Å; E109-K115 PolarHBondContact O-NZ 3.23Å; D111-K115 WeakPolarHBondContact O-CB 2.95Å; D111-K115 PolarHBondContact O-N 3.26Å; K115-L118 PolarHBondContact O-N 3.23Å; K115-C119 VanDerWaalsContact O-CB 3.22Å; K115-C119 WeakPolarHBondContact O-CB 3.31Å; K115-C119 PolarHBondContact O-N 3.11Å |
| 116 | N | 92.3 | Very high | 91.7 | Very high | 51 Ų | 51 | 86.3 Ų | 86.3 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 177.3 | -79.6 | -37 | 0 | 0 | 0 | 112.4 | R97 S112 T113 I114 R120 | R97-N116 VanDerWaalsContact CD-OD1 3.23Å; R97-N116 WeakPolarHBondContact CD-OD1 3.46Å; S112-N116 VanDerWaalsContact O-CB 3.26Å; S112-N116 WeakPolarHBondContact O-CB 3.29Å; S112-N116 PolarHBondContact O-N 2.89Å; S112-N116 PolarHBondContact O-ND2 3.24Å; T113-N116 PolarHBondContact O-N 3.45Å; I114-N116 VanDerWaalsContact C-N 3.3Å; I114-N116 PolarHBondContact O-N 2.77Å; N116-R120 WeakPolarHBondContact O-CB 3.41Å; N116-R120 VanDerWaalsContact O-CG 3.28Å; N116-R120 WeakPolarHBondContact O-CG 3.39Å; N116-R120 PolarHBondContact O-N 2.73Å |
| 117 | Y | 93.6 | Very high | 91.7 | Very high | 163 Ų | 163 | 89.3 Ų | 89.3 | 64% | 0.639 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.1 | -50.3 | 175.4 | 175 | -96.3 | 0 | 0 | 0 | 111.9 | T113 I114 C119 R120 S121 | T113-Y117 PolarHBondContact O-N 2.99Å; I114-Y117 WeakPolarHBondContact O-CB 3.24Å; I114-Y117 PolarHBondContact O-N 2.71Å; I114-Y117 VanDerWaalsContact O-N 3.13Å; Y117-C119 VanDerWaalsContact C-N 3.34Å; Y117-C119 PolarHBondContact O-N 2.93Å; Y117-R120 PolarHBondContact O-N 3.29Å; Y117-S121 WeakPolarHBondContact O-CB 3.34Å; Y117-S121 PolarHBondContact O-N 3.24Å |
| 118 | L | 92.8 | Very high | 91.7 | Very high | 48 Ų | 48 | 87.1 Ų | 87.1 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 178 | -69.7 | -177.5 | 0 | 0 | 0 | 111.8 | V106 E109 I114 K115 S121 K122 | V106-L118 HydrophobicContact CG2-CB 4.15Å; E109-L118 HydrophobicContact CG-CD1 3.55Å; I114-L118 HydrophobicContact CG2-CD1 4.24Å; I114-L118 HydrophobicContact CG2-CG 4.25Å; I114-L118 WeakPolarHBondContact O-CG 3.32Å; I114-L118 PolarHBondContact O-N 3.2Å; K115-L118 PolarHBondContact O-N 3.23Å; L118-S121 PolarHBondContact O-N 3.47Å; L118-K122 WeakPolarHBondContact O-CB 3.44Å; L118-K122 WeakPolarHBondContact O-CG 3.34Å; L118-K122 PolarHBondContact O-N 2.87Å |
| 119 | C | 92.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 84.5 Ų | 84.5 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 175.4 | -176 | 0 | 0 | 0 | 0 | 111 | V106 K115 Y117 S121 K122 I123 | V106-C119 HydrophobicContact CG1-CB 4.11Å; K115-C119 VanDerWaalsContact O-CB 3.22Å; K115-C119 WeakPolarHBondContact O-CB 3.31Å; K115-C119 PolarHBondContact O-N 3.11Å; Y117-C119 VanDerWaalsContact C-N 3.34Å; Y117-C119 PolarHBondContact O-N 2.93Å; C119-S121 PolarHBondContact O-N 3.33Å; C119-K122 PolarHBondContact O-N 3.43Å; C119-I123 VanDerWaalsContact O-CG1 3.26Å; C119-I123 WeakPolarHBondContact O-CG1 3.36Å; C119-I123 PolarHBondContact O-N 2.99Å |
| 120 | R | 92.5 | Very high | 91.4 | Very high | 161 Ų | 161 | 83 Ų | 83 | 61% | 0.608 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.6 | -44.8 | 176.2 | -75.4 | 176.1 | -179.5 | -178.6 | 1.7 | 111.8 | N116 Y117 K122 I123 L124 | N116-R120 WeakPolarHBondContact O-CB 3.41Å; N116-R120 VanDerWaalsContact O-CG 3.28Å; N116-R120 WeakPolarHBondContact O-CG 3.39Å; N116-R120 PolarHBondContact O-N 2.73Å; Y117-R120 PolarHBondContact O-N 3.29Å; R120-K122 VanDerWaalsContact C-N 3.35Å; R120-K122 PolarHBondContact O-N 2.78Å; R120-I123 PolarHBondContact O-N 3.46Å; R120-L124 WeakPolarHBondContact O-CB 3.5Å; R120-L124 VanDerWaalsContact O-CG 3.25Å; R120-L124 WeakPolarHBondContact O-CG 3.36Å; R120-L124 PolarHBondContact O-N 3.4Å |
| 121 | S | 93.6 | Very high | 91.3 | Very high | 47 Ų | 47 | 74.6 Ų | 74.6 | 33% | 0.329 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 177.3 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | Y117 L118 C119 L124 T125 | Y117-S121 WeakPolarHBondContact O-CB 3.34Å; Y117-S121 PolarHBondContact O-N 3.24Å; L118-S121 PolarHBondContact O-N 3.47Å; C119-S121 PolarHBondContact O-N 3.33Å; S121-L124 PolarHBondContact O-N 2.85Å; S121-T125 WeakPolarHBondContact O-CB 3.37Å; S121-T125 WeakPolarHBondContact O-CG2 3.29Å; S121-T125 PolarHBondContact O-N 2.76Å; S121-T125 PolarHBondContact O-OG1 3.33Å |
| 122 | K | 92.6 | Very high | 90.9 | Very high | 33 Ų | 33 | 74.3 Ų | 74.3 | 14% | 0.143 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 176.7 | -72 | -177.4 | 174.9 | -75.3 | 0 | 113.8 | H103 V106 L118 C119 R120 T125 R126 S127 C128 | H103-K122 WeakPolarHBondContact CE1-CE 3.38Å; H103-K122 PolarHBondContact CE1-NZ 2.95Å; H103-K122 WeakPolarHBondContact NE2-CD 3.08Å; H103-K122 WeakPolarHBondContact NE2-CE 3.35Å; H103-K122 PolarHBondContact NE2-NZ 2.74Å; V106-K122 HydrophobicContact CG2-CD 3.69Å; L118-K122 WeakPolarHBondContact O-CB 3.44Å; L118-K122 WeakPolarHBondContact O-CG 3.34Å; L118-K122 PolarHBondContact O-N 2.87Å; C119-K122 PolarHBondContact O-N 3.43Å; R120-K122 VanDerWaalsContact C-N 3.35Å; R120-K122 PolarHBondContact O-N 2.78Å; K122-T125 WeakPolarHBondContact CA-OG1 3.45Å; K122-T125 PolarHBondContact O-OG1 3.42Å; K122-R126 PolarHBondContact O-N 3.04Å; K122-R126 VanDerWaalsContact O-N 3.08Å; K122-S127 WeakPolarHBondContact CA-OG 3.05Å; K122-S127 PolarHBondContact O-N 3.43Å; K122-S127 PolarHBondContact O-OG 2.8Å; K122-C128 HydrophobicContact CB-CB 4.02Å |
| 123 | I | 91.4 | Very high | 90.4 | Very high | 38 Ų | 38 | 74.8 Ų | 74.8 | 20% | 0.195 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 174.6 | -69.9 | 165.9 | 0 | 0 | 0 | 110.2 | C119 R120 R126 Y131 | C119-I123 VanDerWaalsContact O-CG1 3.26Å; C119-I123 WeakPolarHBondContact O-CG1 3.36Å; C119-I123 PolarHBondContact O-N 2.99Å; R120-I123 PolarHBondContact O-N 3.46Å; I123-R126 PolarHBondContact O-N 3.32Å; I123-R126 VanDerWaalsContact O-N 3.12Å; I123-Y131 HydrophobicContact CD1-CD2 4.31Å; I123-Y131 HydrophobicContact CD1-CE2 4.47Å; I123-Y131 HydrophobicContact CG1-CD1 4.16Å; I123-Y131 HydrophobicContact CG1-CD2 4.23Å; I123-Y131 HydrophobicContact CG1-CE1 4.5Å; I123-Y131 HydrophobicContact CG1-CG 4.02Å; I123-Y131 HydrophobicContact CG2-CD1 4.18Å; I123-Y131 HydrophobicContact CG2-CE1 3.76Å |
| 124 | L | 92.1 | Very high | 89.5 | Confident | 146 Ų | 146 | 71.1 Ų | 71.1 | 76% | 0.764 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | 179.5 | -72.2 | 169.8 | 0 | 0 | 0 | 111.9 | R120 S121 R126 | R120-L124 WeakPolarHBondContact O-CB 3.5Å; R120-L124 VanDerWaalsContact O-CG 3.25Å; R120-L124 WeakPolarHBondContact O-CG 3.36Å; R120-L124 PolarHBondContact O-N 3.4Å; S121-L124 PolarHBondContact O-N 2.85Å; L124-R126 PolarHBondContact O-N 2.95Å |
| 125 | T | 92.1 | Very high | 88.8 | Confident | 93 Ų | 93 | 72.7 Ų | 72.7 | 57% | 0.571 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -2.9 | 176.1 | 55 | 0 | 0 | 0 | 0 | 113.6 | S121 K122 S127 | S121-T125 WeakPolarHBondContact O-CB 3.37Å; S121-T125 WeakPolarHBondContact O-CG2 3.29Å; S121-T125 PolarHBondContact O-N 2.76Å; S121-T125 PolarHBondContact O-OG1 3.33Å; K122-T125 WeakPolarHBondContact CA-OG1 3.45Å; K122-T125 PolarHBondContact O-OG1 3.42Å; T125-S127 PolarHBondContact O-N 2.64Å; T125-S127 PolarHBondContact OG1-OG 3.18Å |
| 126 | R | 89.1 | Confident | 87.6 | Confident | 192 Ų | 192 | 74.5 Ų | 74.5 | 73% | 0.725 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 35.7 | -173.7 | -59.7 | -176.8 | 174.8 | 150.2 | 0.1 | 113.1 | K122 I123 L124 L132 | K122-R126 PolarHBondContact O-N 3.04Å; K122-R126 VanDerWaalsContact O-N 3.08Å; I123-R126 PolarHBondContact O-N 3.32Å; I123-R126 VanDerWaalsContact O-N 3.12Å; L124-R126 PolarHBondContact O-N 2.95Å; R126-L132 HydrophobicContact CB-CD2 4.39Å; R126-L132 WeakPolarHBondContact O-CD1 3.01Å |
| 127 | S | 90.1 | Very high | 86.4 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | trans | -97.2 | -5.2 | 179.3 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | K122 T125 K129 | K122-S127 WeakPolarHBondContact CA-OG 3.05Å; K122-S127 PolarHBondContact O-N 3.43Å; K122-S127 PolarHBondContact O-OG 2.8Å; T125-S127 PolarHBondContact O-N 2.64Å; T125-S127 PolarHBondContact OG1-OG 3.18Å; S127-K129 PolarHBondContact O-N 3.03Å | ||
| 128 | C | 89.7 | Confident | 85 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | trans | -87.7 | 102.2 | 177.8 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | K122 Y130 Y131 L132 | K122-C128 HydrophobicContact CB-CB 4.02Å; C128-Y130 PolarHBondContact O-N 2.99Å; C128-Y131 PolarHBondContact O-N 2.89Å; C128-L132 WeakPolarHBondContact O-CG 3.05Å; C128-L132 PolarHBondContact O-N 3.48Å; C128-L132 VanDerWaalsContact O-N 3.17Å | ||
| 129 | K | 88.3 | Confident | 83.6 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -51.3 | -51.9 | 175.1 | -179.4 | 179.7 | 173.1 | -172.5 | 0 | 112.2 | S127 Y131 L132 D133 E179 | S127-K129 PolarHBondContact O-N 3.03Å; K129-Y131 VanDerWaalsContact C-N 3.27Å; K129-Y131 PolarHBondContact O-N 3.37Å; K129-L132 PolarHBondContact O-N 2.92Å; K129-D133 WeakPolarHBondContact CE-OD2 3.25Å; K129-D133 VanDerWaalsContact CG-OD2 3.32Å; K129-D133 WeakPolarHBondContact CG-OD2 3.32Å; K129-D133 PolarHBondContact O-N 3.35Å; K129-E179 WeakPolarHBondContact CE-OE2 3.46Å; K129-E179 IonicContact NZ-OE1 2.79Å; K129-E179 PolarHBondContact NZ-OE1 3.34Å; K129-E179 IonicContact NZ-OE2 2.8Å; K129-E179 PolarHBondContact NZ-OE2 3.32Å |
| 130 | Y | 87.3 | Confident | 82 | Confident | 42 Ų | 42 | 77.1 Ų | 77.1 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.9 | -34.8 | -177.5 | -52 | -82.4 | 0 | 0 | 0 | 114.4 | V102 H103 C128 H134 E179 A181 | V102-Y130 HydrophobicContact CG2-CD1 3.46Å; V102-Y130 VanDerWaalsContact CG2-CD1 3.46Å; V102-Y130 HydrophobicContact CG2-CD2 4.32Å; V102-Y130 HydrophobicContact CG2-CE1 3.93Å; V102-Y130 HydrophobicContact CG2-CG 3.68Å; H103-Y130 HydrophobicContact CB-CD2 3.88Å; H103-Y130 HydrophobicContact CB-CE2 3.99Å; H103-Y130 AromaticContact CD2-CD2 3.95Å; C128-Y130 PolarHBondContact O-N 2.99Å; Y130-H134 WeakPolarHBondContact O-CB 3.46Å; Y130-H134 PolarHBondContact O-N 3.17Å; Y130-E179 WeakPolarHBondContact CD1-O 3.33Å; Y130-E179 HydrophobicContact CE1-CB 4.46Å; Y130-A181 PolarHBondContact O-N 3.24Å |
| 131 | Y | 86.1 | Confident | 80.3 | Confident | 67 Ų | 67 | 75.8 Ų | 75.8 | 26% | 0.263 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -76.4 | -38.7 | 177.4 | 175.8 | -100.5 | 0 | 0 | 0 | 111.8 | I123 C128 K129 K135 | I123-Y131 HydrophobicContact CD1-CD2 4.31Å; I123-Y131 HydrophobicContact CD1-CE2 4.47Å; I123-Y131 HydrophobicContact CG1-CD1 4.16Å; I123-Y131 HydrophobicContact CG1-CD2 4.23Å; I123-Y131 HydrophobicContact CG1-CE1 4.5Å; I123-Y131 HydrophobicContact CG1-CG 4.02Å; I123-Y131 HydrophobicContact CG2-CD1 4.18Å; I123-Y131 HydrophobicContact CG2-CE1 3.76Å; C128-Y131 PolarHBondContact O-N 2.89Å; K129-Y131 VanDerWaalsContact C-N 3.27Å; K129-Y131 PolarHBondContact O-N 3.37Å; Y131-K135 WeakPolarHBondContact O-CB 3.34Å; Y131-K135 PolarHBondContact O-N 3.24Å |
| 132 | L | 84.8 | Confident | 78.6 | Confident | 68 Ų | 68 | 79.3 Ų | 79.3 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 178.4 | -67.1 | 176.6 | 0 | 0 | 0 | 111.5 | R126 C128 K129 K135 S136 | R126-L132 HydrophobicContact CB-CD2 4.39Å; R126-L132 WeakPolarHBondContact O-CD1 3.01Å; C128-L132 WeakPolarHBondContact O-CG 3.05Å; C128-L132 PolarHBondContact O-N 3.48Å; C128-L132 VanDerWaalsContact O-N 3.17Å; K129-L132 PolarHBondContact O-N 2.92Å; L132-K135 PolarHBondContact O-N 3.04Å; L132-S136 PolarHBondContact O-N 3.1Å |
| 133 | D | 79.7 | Confident | 76.9 | Confident | 59 Ų | 59 | 81.7 Ų | 81.7 | 32% | 0.316 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 178.3 | -70.4 | -15.2 | 0 | 0 | 0 | 110.4 | K129 K135 S136 M137 | K129-D133 WeakPolarHBondContact CE-OD2 3.25Å; K129-D133 VanDerWaalsContact CG-OD2 3.32Å; K129-D133 WeakPolarHBondContact CG-OD2 3.32Å; K129-D133 PolarHBondContact O-N 3.35Å; D133-K135 PolarHBondContact O-N 2.58Å; D133-S136 PolarHBondContact O-N 2.9Å; D133-S136 PolarHBondContact O-OG 3.17Å; D133-M137 PolarHBondContact O-N 3.27Å |
| 134 | H | 74.4 | Confident | 75 | Confident | 23 Ų | 23 | 84.6 Ų | 84.6 | 11% | 0.106 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 173 | 177.5 | -111.1 | 0 | 0 | 0 | 112.9 | Y130 S136 M137 L138 A181 | Y130-H134 WeakPolarHBondContact O-CB 3.46Å; Y130-H134 PolarHBondContact O-N 3.17Å; H134-S136 VanDerWaalsContact C-N 3.33Å; H134-S136 PolarHBondContact O-N 3.17Å; H134-M137 WeakPolarHBondContact O-CB 2.94Å; H134-M137 PolarHBondContact O-N 3.26Å; H134-L138 WeakPolarHBondContact CE1-CD1 3.21Å; H134-L138 PolarHBondContact O-N 3.1Å; H134-A181 WeakPolarHBondContact CB-O 3.4Å; H134-A181 PolarHBondContact CD2-O 3.27Å; H134-A181 VanDerWaalsContact CD2-O 3.23Å; H134-A181 PolarHBondContact ND1-O 2.99Å |
| 135 | K | 75.4 | Confident | 73 | Confident | 110 Ų | 110 | 86 Ų | 86 | 48% | 0.478 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 177.4 | -173.8 | 178.8 | 179.9 | -179.4 | 0 | 112 | Y131 L132 D133 M137 L138 T139 | Y131-K135 WeakPolarHBondContact O-CB 3.34Å; Y131-K135 PolarHBondContact O-N 3.24Å; L132-K135 PolarHBondContact O-N 3.04Å; D133-K135 PolarHBondContact O-N 2.58Å; K135-M137 VanDerWaalsContact C-N 3.32Å; K135-L138 PolarHBondContact O-N 2.96Å; K135-T139 PolarHBondContact O-N 3.4Å; K135-T139 PolarHBondContact O-OG1 3.49Å |
| 136 | S | 68.5 | Low | 71.3 | Confident | 50 Ų | 50 | 87.7 Ų | 87.7 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.6 | 81.7 | 0 | 0 | 0 | 0 | 110 | L132 D133 H134 L138 T139 Y140 | L132-S136 PolarHBondContact O-N 3.1Å; D133-S136 PolarHBondContact O-N 2.9Å; D133-S136 PolarHBondContact O-OG 3.17Å; H134-S136 VanDerWaalsContact C-N 3.33Å; H134-S136 PolarHBondContact O-N 3.17Å; S136-L138 PolarHBondContact O-N 3.06Å; S136-T139 WeakPolarHBondContact O-CA 3.25Å; S136-T139 VanDerWaalsContact O-CB 3.32Å; S136-T139 WeakPolarHBondContact O-CB 3.45Å; S136-T139 PolarHBondContact O-N 3.21Å; S136-Y140 WeakPolarHBondContact O-CD2 3.49Å; S136-Y140 PolarHBondContact O-N 3.34Å |
| 137 | M | 67.5 | Low | 69.8 | Low | 44 Ų | 44 | 82.4 Ų | 82.4 | 22% | 0.217 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 178.1 | -168.9 | -172.9 | -177.8 | 0 | 0 | 112.8 | D133 H134 K135 T139 Y140 R141 L158 | D133-M137 PolarHBondContact O-N 3.27Å; H134-M137 WeakPolarHBondContact O-CB 2.94Å; H134-M137 PolarHBondContact O-N 3.26Å; K135-M137 VanDerWaalsContact C-N 3.32Å; M137-T139 VanDerWaalsContact C-N 3.29Å; M137-T139 PolarHBondContact O-N 3.41Å; M137-Y140 PolarHBondContact O-N 3.44Å; M137-R141 PolarHBondContact O-N 3.03Å; M137-L158 HydrophobicContact CE-CD1 3.41Å; M137-L158 VanDerWaalsContact CE-CD1 3.41Å; M137-L158 HydrophobicContact CE-CD2 3.65Å; M137-L158 HydrophobicContact CE-CG 4.08Å; M137-L158 HydrophobicContact SD-CD1 4.44Å |
| 138 | L | 64.7 | Low | 68.1 | Low | 67 Ų | 67 | 83.5 Ų | 83.5 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 173.5 | -79.6 | 169 | 0 | 0 | 0 | 112.2 | H134 K135 S136 R141 L142 | H134-L138 WeakPolarHBondContact CE1-CD1 3.21Å; H134-L138 PolarHBondContact O-N 3.1Å; K135-L138 PolarHBondContact O-N 2.96Å; S136-L138 PolarHBondContact O-N 3.06Å; L138-R141 PolarHBondContact O-N 3.12Å; L138-L142 WeakPolarHBondContact O-CG 3.23Å; L138-L142 PolarHBondContact O-N 3.08Å |
| 139 | T | 62.6 | Low | 66.4 | Low | 74 Ų | 74 | 91.1 Ų | 91.1 | 45% | 0.454 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 176.6 | -49.5 | 0 | 0 | 0 | 0 | 110.2 | K135 S136 M137 L142 L143 | K135-T139 PolarHBondContact O-N 3.4Å; K135-T139 PolarHBondContact O-OG1 3.49Å; S136-T139 WeakPolarHBondContact O-CA 3.25Å; S136-T139 VanDerWaalsContact O-CB 3.32Å; S136-T139 WeakPolarHBondContact O-CB 3.45Å; S136-T139 PolarHBondContact O-N 3.21Å; M137-T139 VanDerWaalsContact C-N 3.29Å; M137-T139 PolarHBondContact O-N 3.41Å; T139-L142 PolarHBondContact O-N 2.89Å; T139-L143 WeakPolarHBondContact O-CG 2.97Å; T139-L143 PolarHBondContact O-N 3.4Å |
| 140 | Y | 59.8 | Low | 64.6 | Low | 137 Ų | 137 | 92.7 Ų | 92.7 | 54% | 0.537 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 172.2 | -70.4 | -68.8 | 0 | 0 | 0 | 112.5 | S136 M137 L143 F144 F151 | S136-Y140 WeakPolarHBondContact O-CD2 3.49Å; S136-Y140 PolarHBondContact O-N 3.34Å; M137-Y140 PolarHBondContact O-N 3.44Å; Y140-L143 CarbonylContact O-C 3.53Å; Y140-L143 WeakPolarHBondContact O-CA 3.33Å; Y140-L143 WeakPolarHBondContact O-CB 3.29Å; Y140-L143 PolarHBondContact O-N 2.89Å; Y140-F144 WeakPolarHBondContact O-CB 3.12Å; Y140-F144 PolarHBondContact O-N 3.29Å; Y140-F151 HydrophobicContact CD1-CZ 4.24Å; Y140-F151 HydrophobicContact CE1-CZ 4.45Å |
| 141 | R | 57.3 | Low | 62.6 | Low | 134 Ų | 134 | 94.2 Ų | 94.2 | 51% | 0.506 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 174.3 | -88.6 | -176.2 | 156.3 | 176.5 | -3 | 112.9 | M137 L138 L143 F144 F145 | M137-R141 PolarHBondContact O-N 3.03Å; L138-R141 PolarHBondContact O-N 3.12Å; R141-L143 VanDerWaalsContact C-N 3.32Å; R141-F144 VanDerWaalsContact O-CB 3.24Å; R141-F144 WeakPolarHBondContact O-CB 3.37Å; R141-F144 PolarHBondContact O-N 2.85Å; R141-F145 VanDerWaalsContact O-CD2 3.25Å; R141-F145 WeakPolarHBondContact O-CD2 3.38Å; R141-F145 PolarHBondContact O-N 3.37Å |
| 142 | L | 56.5 | Low | 60.7 | Low | 121 Ų | 121 | 95.5 Ų | 95.5 | 63% | 0.634 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67 | -36.7 | 173.1 | -71.5 | 169.2 | 0 | 0 | 0 | 111.2 | L138 T139 F144 | L138-L142 WeakPolarHBondContact O-CG 3.23Å; L138-L142 PolarHBondContact O-N 3.08Å; T139-L142 PolarHBondContact O-N 2.89Å; L142-F144 VanDerWaalsContact C-N 3.33Å |
| 143 | L | 56.9 | Low | 58.9 | Low | 82 Ų | 82 | 100.9 Ų | 100.9 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.9 | -28.9 | 170.5 | -72.5 | 163.1 | 0 | 0 | 0 | 112.6 | T139 Y140 R141 F145 I146 I147 | T139-L143 WeakPolarHBondContact O-CG 2.97Å; T139-L143 PolarHBondContact O-N 3.4Å; Y140-L143 CarbonylContact O-C 3.53Å; Y140-L143 WeakPolarHBondContact O-CA 3.33Å; Y140-L143 WeakPolarHBondContact O-CB 3.29Å; Y140-L143 PolarHBondContact O-N 2.89Å; R141-L143 VanDerWaalsContact C-N 3.32Å; L143-F145 VanDerWaalsContact C-N 3.28Å; L143-F145 PolarHBondContact O-N 3.27Å; L143-I146 CarbonylContact O-C 3.44Å; L143-I146 WeakPolarHBondContact O-CA 3.49Å; L143-I146 WeakPolarHBondContact O-CB 3.41Å; L143-I146 PolarHBondContact O-N 3.39Å; L143-I147 PolarHBondContact O-N 3.02Å |
| 144 | F | 51.3 | Low | 57.1 | Low | 99 Ų | 99 | 107.4 Ų | 107.4 | 43% | 0.434 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -31 | 178.7 | -164.7 | -92.7 | 0 | 0 | 0 | 112.1 | Y140 R141 L142 I146 F151 | Y140-F144 WeakPolarHBondContact O-CB 3.12Å; Y140-F144 PolarHBondContact O-N 3.29Å; R141-F144 VanDerWaalsContact O-CB 3.24Å; R141-F144 WeakPolarHBondContact O-CB 3.37Å; R141-F144 PolarHBondContact O-N 2.85Å; L142-F144 VanDerWaalsContact C-N 3.33Å; F144-I146 VanDerWaalsContact C-N 3.26Å; F144-I146 PolarHBondContact O-N 2.81Å; F144-F151 HydrophobicContact CD2-CB 3.87Å; F144-F151 HydrophobicContact CE2-CB 3.83Å |
| 145 | F | 50.3 | Low | 55.9 | Low | 177 Ų | 177 | 108.9 Ų | 108.9 | 78% | 0.776 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -19.7 | 170.4 | -77.1 | -74.9 | 0 | 0 | 0 | 113.3 | R141 L143 | R141-F145 VanDerWaalsContact O-CD2 3.25Å; R141-F145 WeakPolarHBondContact O-CD2 3.38Å; R141-F145 PolarHBondContact O-N 3.37Å; L143-F145 VanDerWaalsContact C-N 3.28Å; L143-F145 PolarHBondContact O-N 3.27Å |
| 146 | I | 56.7 | Low | 54.3 | Low | 127 Ų | 127 | 108.4 Ų | 108.4 | 65% | 0.651 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -32.2 | -175.7 | -57.3 | 174.5 | 0 | 0 | 0 | 111 | L143 F144 | L143-I146 CarbonylContact O-C 3.44Å; L143-I146 WeakPolarHBondContact O-CA 3.49Å; L143-I146 WeakPolarHBondContact O-CB 3.41Å; L143-I146 PolarHBondContact O-N 3.39Å; F144-I146 VanDerWaalsContact C-N 3.26Å; F144-I146 PolarHBondContact O-N 2.81Å |
| 147 | I | 57.1 | Low | 53.3 | Low | 82 Ų | 82 | 109.2 Ų | 109.2 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | trans | -136.1 | 77.4 | -176.8 | -46.3 | 178.1 | 0 | 0 | 0 | 110.9 | L143 L149 L150 | L143-I147 PolarHBondContact O-N 3.02Å; I147-L149 PolarHBondContact O-N 2.93Å; I147-L150 HydrophobicContact CG2-CB 4.06Å; I147-L150 HydrophobicContact CG2-CD1 3.76Å | ||
| 148 | P | 55 | Low | 52.2 | Low | 87 Ų | 87 | 109.6 Ų | 109.6 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -62.6 | -25.1 | -179.3 | -21.9 | 33 | 0 | 0 | 0 | 113.9 | L150 | P148-L150 PolarHBondContact O-N 3.41Š|
| 149 | L | 54.1 | Low | 51.2 | Low | 167 Ų | 167 | 111.5 Ų | 111.5 | 87% | 0.874 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -79.1 | -14.5 | -169.2 | -77 | 162.3 | 0 | 0 | 0 | 115 | I147 | I147-L149 PolarHBondContact O-N 2.93Š|
| 150 | L | 50.4 | Low | 50.1 | Low | 130 Ų | 130 | 110.7 Ų | 110.7 | 68% | 0.681 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -100 | -9.9 | -172.8 | -110 | 123.8 | 0 | 0 | 0 | 115 | I147 P148 | I147-L150 HydrophobicContact CG2-CB 4.06Å; I147-L150 HydrophobicContact CG2-CD1 3.76Å; P148-L150 PolarHBondContact O-N 3.41Å |
| 151 | F | 45.6 | Very low | 49.2 | Very low | 73 Ų | 73 | 111.1 Ų | 111.1 | 32% | 0.32 | 59% | 0.589 | S | S | . | * | trans | -129.9 | 14.2 | -169.6 | -81.4 | -88 | 0 | 0 | 0 | 114.8 | Y140 F144 E153 W154 | Y140-F151 HydrophobicContact CD1-CZ 4.24Å; Y140-F151 HydrophobicContact CE1-CZ 4.45Å; F144-F151 HydrophobicContact CD2-CB 3.87Å; F144-F151 HydrophobicContact CE2-CB 3.83Å; F151-E153 PolarHBondContact O-N 2.84Å; F151-W154 HydrophobicContact CD1-CB 3.79Å; F151-W154 HydrophobicContact CD1-CG 4.3Å; F151-W154 HydrophobicContact CE1-CB 4.49Å; F151-W154 PolarHBondContact O-N 3.16Å | ||
| 152 | A | 46.6 | Very low | 48.4 | Very low | 94 Ų | 94 | 107.5 Ų | 107.5 | 78% | 0.777 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -18 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 153 | E | 46.7 | Very low | 48.3 | Very low | 181 Ų | 181 | 110.6 Ų | 110.6 | 85% | 0.846 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -11.2 | 177.5 | -72 | 178.5 | 157.5 | 0 | 0 | 114.4 | F151 | F151-E153 PolarHBondContact O-N 2.84Š|
| 154 | W | 41.8 | Very low | 48.4 | Very low | 197 Ų | 197 | 115 Ų | 115 | 75% | 0.746 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -109.7 | 90.8 | -172.5 | -97.5 | 74.9 | 0 | 0 | 0 | 111.7 | F151 | F151-W154 HydrophobicContact CD1-CB 3.79Å; F151-W154 HydrophobicContact CD1-CG 4.3Å; F151-W154 HydrophobicContact CE1-CB 4.49Å; F151-W154 PolarHBondContact O-N 3.16Å |
| 155 | S | 49.8 | Very low | 49.1 | Very low | 54 Ų | 54 | 116 Ų | 116 | 38% | 0.378 | 62% | 0.617 | S | S | . | * | trans | 112.2 | 57.6 | 163.7 | -47.5 | 0 | 0 | 0 | 0 | 117 | S157 | S155-S157 PolarHBondContact O-N 3.38Š| ||
| 156 | P | 41.9 | Very low | 49.8 | Very low | 99 Ų | 99 | 109 Ų | 109 | 64% | 0.643 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -13 | 158.9 | 26.9 | -32.1 | 0 | 0 | 0 | 112.9 | ||
| 157 | S | 46.7 | Very low | 50.4 | Low | 68 Ų | 68 | 105.3 Ų | 105.3 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -9.6 | -174.9 | 41.5 | 0 | 0 | 0 | 0 | 115.8 | S155 | S155-S157 PolarHBondContact O-N 3.38Š|
| 158 | L | 45 | Very low | 51.2 | Low | 51 Ų | 51 | 103 Ų | 103 | 27% | 0.267 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -97 | -8.9 | 175.3 | -115.1 | 112.2 | 0 | 0 | 0 | 114 | M137 S160 Y180 | M137-L158 HydrophobicContact CE-CD1 3.41Å; M137-L158 VanDerWaalsContact CE-CD1 3.41Å; M137-L158 HydrophobicContact CE-CD2 3.65Å; M137-L158 HydrophobicContact CE-CG 4.08Å; M137-L158 HydrophobicContact SD-CD1 4.44Å; L158-S160 PolarHBondContact O-N 3.47Å; L158-Y180 HydrophobicContact CD1-CE1 4.07Å |
| 159 | V | 44.2 | Very low | 52.2 | Low | 107 Ų | 107 | 106 Ų | 106 | 65% | 0.648 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -85 | 103.4 | 160.7 | 175.9 | 0 | 0 | 0 | 0 | 104.6 | T161 | V159-T161 PolarHBondContact O-N 3.31Š|
| 160 | S | 39.2 | Very low | 53.3 | Low | 57 Ų | 57 | 102.1 Ų | 102.1 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | trans | -44.6 | 110.7 | 164.9 | 173.1 | 0 | 0 | 0 | 0 | 107.2 | L158 S162 R164 | L158-S160 PolarHBondContact O-N 3.47Å; S160-S162 PolarHBondContact O-N 2.95Å; S160-S162 PolarHBondContact OG-N 3.43Å; S160-S162 PolarHBondContact OG-O 2.9Å; S160-S162 PolarHBondContact OG-OG 2.89Å; S160-R164 PolarHBondContact OG-O 3.46Å | ||
| 161 | T | 39.9 | Very low | 54.4 | Low | 146 Ų | 146 | 97.3 Ų | 97.3 | 90% | 0.896 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -70.1 | 20.1 | 176 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | V159 | V159-T161 PolarHBondContact O-N 3.31Š|
| 162 | S | 41.4 | Very low | 56 | Low | 59 Ų | 59 | 95.1 Ų | 95.1 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -130.8 | 136.6 | 169.9 | 66.9 | 0 | 0 | 0 | 0 | 107.4 | S160 R164 | S160-S162 PolarHBondContact O-N 2.95Å; S160-S162 PolarHBondContact OG-N 3.43Å; S160-S162 PolarHBondContact OG-O 2.9Å; S160-S162 PolarHBondContact OG-OG 2.89Å; S162-R164 PolarHBondContact O-N 3.33Å |
| 163 | D | 54 | Low | 57.6 | Low | 186 Ų | 186 | 91.8 Ų | 91.8 | 100% | 0.995 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -64.5 | 22.7 | 176.6 | -134.7 | -0.1 | 0 | 0 | 0 | 112.9 | ||
| 164 | R | 59.4 | Low | 59 | Low | 173 Ų | 173 | 84.9 Ų | 84.9 | 65% | 0.653 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -111.9 | 128.9 | -174.7 | -176 | -176.2 | -66.7 | -109.6 | 0.5 | 108.5 | S160 S162 | S160-R164 PolarHBondContact OG-O 3.46Å; S162-R164 PolarHBondContact O-N 3.33Å |
| 165 | F | 64.7 | Low | 60.6 | Low | 121 Ų | 121 | 75.6 Ų | 75.6 | 53% | 0.531 | 42% | 0.419 | S | S | . | . | trans | -68.2 | 133.3 | 169.8 | -73 | -84.2 | 0 | 0 | 0 | 109.5 | Q90 | Q90-F165 WeakPolarHBondContact O-CD2 3.37Š| ||
| 166 | P | 65.2 | Low | 61.9 | Low | 29 Ų | 29 | 79.2 Ų | 79.2 | 19% | 0.188 | 43% | 0.428 | C | S | . | . | trans | -66.3 | 137.8 | 178.2 | 28.1 | -34.4 | 0 | 0 | 0 | 110.2 | F93 E170 L171 L174 | F93-P166 WeakPolarHBondContact CE2-O 3.26Å; P166-E170 VanDerWaalsContact CA-OE2 3.24Å; P166-E170 WeakPolarHBondContact CA-OE2 3.41Å; P166-E170 HydrophobicContact CB-CB 3.81Å; P166-L171 HydrophobicContact CB-CD2 4.17Å; P166-L171 HydrophobicContact CB-CG 4.11Å; P166-L171 HydrophobicContact CG-CD2 3.62Å; P166-L171 HydrophobicContact CG-CG 3.97Å; P166-L174 HydrophobicContact CB-CD1 4.3Å | ||
| 167 | D | 70.9 | Confident | 63.6 | Low | 50 Ų | 50 | 83.2 Ų | 83.2 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | trans | -73.1 | 175.8 | 169.6 | 71.9 | 22.2 | 0 | 0 | 0 | 111.6 | F93 E169 E170 L171 | F93-D167 HydrophobicContact CE2-CB 4.44Å; D167-E169 PolarHBondContact O-N 2.96Å; D167-E169 PolarHBondContact OD1-N 2.76Å; D167-E170 PolarHBondContact O-N 3.45Å; D167-E170 WeakPolarHBondContact OD1-CB 3.28Å; D167-E170 WeakPolarHBondContact OD1-CG 3.25Å; D167-E170 PolarHBondContact OD1-N 2.81Å; D167-L171 WeakPolarHBondContact O-CB 3.22Å; D167-L171 WeakPolarHBondContact O-CG 3.33Å; D167-L171 PolarHBondContact O-N 3.22Å | ||
| 168 | I | 73.8 | Confident | 64.8 | Low | 33 Ų | 33 | 83.5 Ų | 83.5 | 17% | 0.169 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.6 | -32.8 | -177.9 | -164.6 | 167.7 | 0 | 0 | 0 | 112.6 | Q99 L100 V172 | Q99-I168 HydrophobicContact CB-CD1 3.82Å; Q99-I168 HydrophobicContact CG-CD1 4.44Å; L100-I168 HydrophobicContact CD2-CD1 3.99Å; L100-I168 HydrophobicContact CD2-CG1 3.63Å; I168-V172 VanDerWaalsContact O-CG2 3.25Å; I168-V172 WeakPolarHBondContact O-CG2 3.42Å; I168-V172 PolarHBondContact O-N 2.97Å |
| 169 | E | 75.8 | Confident | 66 | Low | 152 Ų | 152 | 85.2 Ų | 85.2 | 71% | 0.71 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -75 | -39.5 | -180 | -62.6 | -174.1 | 179.8 | 0 | 0 | 110.6 | D167 V172 G173 | D167-E169 PolarHBondContact O-N 2.96Å; D167-E169 PolarHBondContact OD1-N 2.76Å; E169-V172 PolarHBondContact O-N 2.92Å; E169-G173 PolarHBondContact O-N 3.24Å |
| 170 | E | 75.8 | Confident | 67.3 | Low | 84 Ų | 84 | 80.7 Ų | 80.7 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 171.7 | -73.6 | -177.7 | -172.3 | 0 | 0 | 111.4 | P166 D167 G173 L174 | P166-E170 VanDerWaalsContact CA-OE2 3.24Å; P166-E170 WeakPolarHBondContact CA-OE2 3.41Å; P166-E170 HydrophobicContact CB-CB 3.81Å; D167-E170 PolarHBondContact O-N 3.45Å; D167-E170 WeakPolarHBondContact OD1-CB 3.28Å; D167-E170 WeakPolarHBondContact OD1-CG 3.25Å; D167-E170 PolarHBondContact OD1-N 2.81Å; E170-G173 CarbonylContact O-C 3.58Å; E170-G173 PolarHBondContact O-N 3.49Å; E170-L174 WeakPolarHBondContact O-CB 3.21Å; E170-L174 VanDerWaalsContact O-CG 3.26Å; E170-L174 WeakPolarHBondContact O-CG 3.45Å; E170-L174 PolarHBondContact O-N 3.49Å |
| 171 | L | 74.4 | Confident | 68.4 | Low | 30 Ų | 30 | 78 Ų | 78 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 174.1 | -76.6 | 173.1 | 0 | 0 | 0 | 111.6 | F93 P166 D167 G173 L174 G175 | F93-L171 HydrophobicContact CB-CD1 3.99Å; F93-L171 HydrophobicContact CD2-CD1 3.95Å; F93-L171 HydrophobicContact CG-CD1 4.41Å; P166-L171 HydrophobicContact CB-CD2 4.17Å; P166-L171 HydrophobicContact CB-CG 4.11Å; P166-L171 HydrophobicContact CG-CD2 3.62Å; P166-L171 HydrophobicContact CG-CG 3.97Å; D167-L171 WeakPolarHBondContact O-CB 3.22Å; D167-L171 WeakPolarHBondContact O-CG 3.33Å; D167-L171 PolarHBondContact O-N 3.22Å; L171-G173 VanDerWaalsContact C-N 3.28Å; L171-G173 PolarHBondContact O-N 3.33Å; L171-L174 PolarHBondContact O-N 3.45Å; L171-G175 PolarHBondContact O-N 3.4Å |
| 172 | V | 78.7 | Confident | 69.3 | Low | 26 Ų | 26 | 74.7 Ų | 74.7 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 174.6 | 171 | 0 | 0 | 0 | 0 | 110.8 | Q99 L100 V102 I168 E169 G175 K176 | Q99-V172 WeakPolarHBondContact O-CG2 3.18Å; L100-V172 HydrophobicContact CD2-CG2 4.04Å; V102-V172 HydrophobicContact CG1-CG1 4.32Å; I168-V172 VanDerWaalsContact O-CG2 3.25Å; I168-V172 WeakPolarHBondContact O-CG2 3.42Å; I168-V172 PolarHBondContact O-N 2.97Å; E169-V172 PolarHBondContact O-N 2.92Å; V172-G175 PolarHBondContact O-N 3.25Å; V172-K176 HydrophobicContact CG1-CD 4.43Å; V172-K176 WeakPolarHBondContact O-CG 3.42Å; V172-K176 PolarHBondContact O-N 3.23Å |
| 173 | G | 80.7 | Confident | 70.1 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E169 E170 L171 K176 R177 | E169-G173 PolarHBondContact O-N 3.24Å; E170-G173 CarbonylContact O-C 3.58Å; E170-G173 PolarHBondContact O-N 3.49Å; L171-G173 VanDerWaalsContact C-N 3.28Å; L171-G173 PolarHBondContact O-N 3.33Å; G173-K176 PolarHBondContact O-N 2.88Å; G173-R177 WeakPolarHBondContact O-CB 3.47Å; G173-R177 VanDerWaalsContact O-CG 3.31Å; G173-R177 WeakPolarHBondContact O-CG 3.42Å; G173-R177 PolarHBondContact O-N 2.83Å |
| 174 | L | 76.9 | Confident | 69.6 | Low | 36 Ų | 36 | 73.2 Ų | 73.2 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 173.4 | -76.5 | 167.7 | 0 | 0 | 0 | 110.8 | P166 E170 L171 K176 R177 H178 | P166-L174 HydrophobicContact CB-CD1 4.3Å; E170-L174 WeakPolarHBondContact O-CB 3.21Å; E170-L174 VanDerWaalsContact O-CG 3.26Å; E170-L174 WeakPolarHBondContact O-CG 3.45Å; E170-L174 PolarHBondContact O-N 3.49Å; L171-L174 PolarHBondContact O-N 3.45Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 2.79Å; L174-R177 VanDerWaalsContact CD2-NH2 3.3Å; L174-R177 PolarHBondContact O-N 3.34Å; L174-R177 VanDerWaalsContact O-N 3.11Å; L174-H178 WeakPolarHBondContact O-CB 2.89Å; L174-H178 PolarHBondContact O-CD2 2.91Å; L174-H178 PolarHBondContact O-N 3.34Å |
| 175 | G | 73.6 | Confident | 70.1 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.1 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L171 V172 E179 Y180 | L171-G175 PolarHBondContact O-N 3.4Å; V172-G175 PolarHBondContact O-N 3.25Å; G175-E179 CarbonylContact O-C 3.45Å; G175-E179 VanDerWaalsContact O-CA 3.29Å; G175-E179 WeakPolarHBondContact O-CA 3.45Å; G175-E179 PolarHBondContact O-N 3.13Å; G175-Y180 CarbonylContact C-O 3.55Å; G175-Y180 WeakPolarHBondContact CA-O 3.26Å; G175-Y180 PolarHBondContact O-N 2.84Å |
| 176 | K | 78.9 | Confident | 70.3 | Confident | 131 Ų | 131 | 65.4 Ų | 65.4 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -69.2 | -42.2 | 171.8 | -74.3 | 176.4 | -178.8 | 177.1 | 0 | 112.7 | V102 V172 G173 L174 | V102-K176 HydrophobicContact CB-CG 4.27Å; V102-K176 HydrophobicContact CG1-CG 4Å; V172-K176 HydrophobicContact CG1-CD 4.43Å; V172-K176 WeakPolarHBondContact O-CG 3.42Å; V172-K176 PolarHBondContact O-N 3.23Å; G173-K176 PolarHBondContact O-N 2.88Å; L174-K176 VanDerWaalsContact C-N 3.28Å; L174-K176 PolarHBondContact O-N 2.79Å |
| 177 | R | 77 | Confident | 70.6 | Confident | 182 Ų | 182 | 67.4 Ų | 67.4 | 69% | 0.687 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.7 | -40.4 | -178.5 | -79.8 | -172.1 | -70.3 | -177.3 | -2.4 | 113 | G173 L174 | G173-R177 WeakPolarHBondContact O-CB 3.47Å; G173-R177 VanDerWaalsContact O-CG 3.31Å; G173-R177 WeakPolarHBondContact O-CG 3.42Å; G173-R177 PolarHBondContact O-N 2.83Å; L174-R177 VanDerWaalsContact CD2-NH2 3.3Å; L174-R177 PolarHBondContact O-N 3.34Å; L174-R177 VanDerWaalsContact O-N 3.11Å |
| 178 | H | 72.5 | Confident | 70.6 | Confident | 75 Ų | 75 | 68.5 Ų | 68.5 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 6.2 | -175.7 | -68.1 | -79.5 | 0 | 0 | 0 | 113.2 | L174 Y180 | L174-H178 WeakPolarHBondContact O-CB 2.89Å; L174-H178 PolarHBondContact O-CD2 2.91Å; L174-H178 PolarHBondContact O-N 3.34Å; H178-Y180 HydrophobicContact CB-CD1 3.26Å; H178-Y180 HydrophobicContact CB-CE1 3.17Å; H178-Y180 HydrophobicContact CB-CG 4.42Å; H178-Y180 AromaticContact CG-CE1 3.77Å; H178-Y180 PolarHBondContact O-N 2.92Å; H178-Y180 VanDerWaalsContact O-N 3.15Å |
| 179 | E | 70.1 | Confident | 70.4 | Confident | 86 Ų | 86 | 70.7 Ų | 70.7 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 28.6 | 178.8 | -56 | -170.7 | 113.9 | 0 | 0 | 115.2 | K129 Y130 G175 | K129-E179 WeakPolarHBondContact CE-OE2 3.46Å; K129-E179 IonicContact NZ-OE1 2.79Å; K129-E179 PolarHBondContact NZ-OE1 3.34Å; K129-E179 IonicContact NZ-OE2 2.8Å; K129-E179 PolarHBondContact NZ-OE2 3.32Å; Y130-E179 WeakPolarHBondContact CD1-O 3.33Å; Y130-E179 HydrophobicContact CE1-CB 4.46Å; G175-E179 CarbonylContact O-C 3.45Å; G175-E179 VanDerWaalsContact O-CA 3.29Å; G175-E179 WeakPolarHBondContact O-CA 3.45Å; G175-E179 PolarHBondContact O-N 3.13Å |
| 180 | Y | 70.4 | Confident | 70.1 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 5% | 0.051 | 32% | 0.315 | C | S | . | . | trans | -115.9 | 158.2 | 174.8 | 68.8 | -109.1 | 0 | 0 | 0 | 112 | L158 G175 H178 D182 | L158-Y180 HydrophobicContact CD1-CE1 4.07Å; G175-Y180 CarbonylContact C-O 3.55Å; G175-Y180 WeakPolarHBondContact CA-O 3.26Å; G175-Y180 PolarHBondContact O-N 2.84Å; H178-Y180 HydrophobicContact CB-CD1 3.26Å; H178-Y180 HydrophobicContact CB-CE1 3.17Å; H178-Y180 HydrophobicContact CB-CG 4.42Å; H178-Y180 AromaticContact CG-CE1 3.77Å; H178-Y180 PolarHBondContact O-N 2.92Å; H178-Y180 VanDerWaalsContact O-N 3.15Å; Y180-D182 HydrophobicContact CE2-CB 4.26Å; Y180-D182 WeakPolarHBondContact CE2-OD1 3.4Å; Y180-D182 WeakPolarHBondContact CE2-OD2 3.32Å | ||
| 181 | A | 62.1 | Low | 69.7 | Low | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | trans | -106.4 | 114 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y130 H134 W183 | Y130-A181 PolarHBondContact O-N 3.24Å; H134-A181 WeakPolarHBondContact CB-O 3.4Å; H134-A181 PolarHBondContact CD2-O 3.27Å; H134-A181 VanDerWaalsContact CD2-O 3.23Å; H134-A181 PolarHBondContact ND1-O 2.99Å; A181-W183 HydrophobicContact CB-CD2 3.79Å; A181-W183 HydrophobicContact CB-CE3 3.7Å; A181-W183 HydrophobicContact CB-CH2 3.33Å; A181-W183 HydrophobicContact CB-CZ2 3.46Å; A181-W183 VanDerWaalsContact CB-CZ2 3.46Å; A181-W183 HydrophobicContact CB-CZ3 3.42Å; A181-W183 VanDerWaalsContact CB-CZ3 3.42Å; A181-W183 PolarHBondContact O-N 3.29Å; A181-W183 VanDerWaalsContact O-N 3.1Å | ||
| 182 | D | 59.7 | Low | 69.3 | Low | 76 Ų | 76 | 66.5 Ų | 66.5 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | trans | -73.2 | 7.9 | -178.4 | -98 | -18.2 | 0 | 0 | 0 | 114.9 | Y180 | Y180-D182 HydrophobicContact CE2-CB 4.26Å; Y180-D182 WeakPolarHBondContact CE2-OD1 3.4Å; Y180-D182 WeakPolarHBondContact CE2-OD2 3.32Å | ||
| 183 | W | 58.3 | Low | 68.5 | Low | 20 Ų | 20 | 69.9 Ų | 69.9 | 8% | 0.076 | 33% | 0.334 | C | S | . | . | trans | -97.3 | 132.1 | -177.8 | 63.9 | 74.3 | 0 | 0 | 0 | 112.2 | L100 C101 V102 A181 | L100-W183 HydrophobicContact CB-CE3 3.93Å; L100-W183 WeakPolarHBondContact O-CZ3 3.39Å; C101-W183 VanDerWaalsContact CA-CH2 3.47Å; C101-W183 VanDerWaalsContact CA-CZ3 3.45Å; C101-W183 HydrophobicContact CB-CH2 4.13Å; C101-W183 HydrophobicContact CB-CZ3 4.49Å; V102-W183 HydrophobicContact CG2-CH2 3.93Å; V102-W183 HydrophobicContact CG2-CZ3 4.08Å; A181-W183 HydrophobicContact CB-CD2 3.79Å; A181-W183 HydrophobicContact CB-CE3 3.7Å; A181-W183 HydrophobicContact CB-CH2 3.33Å; A181-W183 HydrophobicContact CB-CZ2 3.46Å; A181-W183 VanDerWaalsContact CB-CZ2 3.46Å; A181-W183 HydrophobicContact CB-CZ3 3.42Å; A181-W183 VanDerWaalsContact CB-CZ3 3.42Å; A181-W183 PolarHBondContact O-N 3.29Å; A181-W183 VanDerWaalsContact O-N 3.1Å | ||
| 184 | L | 41.9 | Very low | 67.4 | Low | 193 Ų | 193 | 74.1 Ų | 74.1 | 100% | 1.01 | 34% | 0.342 | S | S | * | . | trans | -64.4 | 0 | 162.7 | -73.2 | 161.4 | 0 | 0 | 0 | 110.7 |
Retrieved 184 of 184 residues in 85 ms
(Link to these results)