| 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 | A | 35.5 | Very low | 46.5 | Very low | 158 Ų | 158 | 119.8 Ų | 119.8 | 100% | 1.306 | 68% | 0.684 | S | S | * | * | 0 | 150 | 0 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 2 | M | 34.2 | Very low | 47.2 | Very low | 185 Ų | 185 | 124.8 Ų | 124.8 | 91% | 0.911 | 70% | 0.697 | S | S | * | * | trans | -90.6 | 114.9 | 178.6 | -63.6 | -179.9 | 74.9 | 0 | 0 | 109.7 | S4 | M2-S4 PolarHBondContact O-N 3.17Š| ||
| 3 | S | 42 | Very low | 48.6 | Very low | 82 Ų | 82 | 117.5 Ų | 117.5 | 57% | 0.573 | 66% | 0.657 | S | S | * | * | trans | -84.1 | 101.8 | 171.9 | -159.1 | 0 | 0 | 0 | 0 | 108.7 | P5 D15 | S3-P5 WeakPolarHBondContact O-CD 3.27Å; S3-D15 PolarHBondContact OG-OD2 3.41Å | ||
| 4 | S | 43.5 | Very low | 50.2 | Low | 82 Ų | 82 | 111.2 Ų | 111.2 | 57% | 0.573 | 63% | 0.632 | S | S | * | * | trans | -87.1 | 117.4 | 170.4 | -62 | 0 | 0 | 0 | 0 | 108.9 | M2 W6 | M2-S4 PolarHBondContact O-N 3.17Å; S4-W6 PolarHBondContact O-N 3.47Å | ||
| 5 | P | 48.2 | Very low | 52.1 | Low | 79 Ų | 79 | 107.6 Ų | 107.6 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | trans | -67.4 | 133.6 | 176.1 | 27.7 | -34.3 | 0 | 0 | 0 | 110.8 | S3 T7 D15 | S3-P5 WeakPolarHBondContact O-CD 3.27Å; P5-T7 PolarHBondContact O-N 2.81Å; P5-D15 VanDerWaalsContact CA-OD1 3.23Å; P5-D15 WeakPolarHBondContact CA-OD1 3.35Å; P5-D15 WeakPolarHBondContact CB-OD1 3.24Å | ||
| 6 | W | 51 | Low | 53.9 | Low | 142 Ų | 142 | 102.1 Ų | 102.1 | 54% | 0.538 | 58% | 0.579 | S | S | . | * | trans | -84.3 | 63.7 | -174.7 | -89.9 | 51.7 | 0 | 0 | 0 | 111.9 | S4 E8 K57 | S4-W6 PolarHBondContact O-N 3.47Å; W6-E8 VanDerWaalsContact C-N 3.35Å; W6-E8 PolarHBondContact O-N 3.5Å; W6-K57 VanDerWaalsContact CD1-NZ 3.33Å; W6-K57 VanDerWaalsContact NE1-NZ 3.15Å | ||
| 7 | T | 49.7 | Very low | 55.2 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 64% | 0.638 | 58% | 0.584 | S | S | * | * | trans | -91.1 | 41.6 | -171.2 | -35.5 | 0 | 0 | 0 | 0 | 113.7 | P5 | P5-T7 PolarHBondContact O-N 2.81Š| ||
| 8 | E | 47.3 | Very low | 56.6 | Low | 138 Ų | 138 | 105.7 Ų | 105.7 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -141.4 | 108.1 | 174.5 | -157.9 | 159.4 | -162.3 | 0 | 0 | 116.2 | W6 Q10 | W6-E8 VanDerWaalsContact C-N 3.35Å; W6-E8 PolarHBondContact O-N 3.5Å; E8-Q10 PolarHBondContact O-N 3.48Å |
| 9 | R | 49.2 | Very low | 58 | Low | 220 Ų | 220 | 102.1 Ų | 102.1 | 83% | 0.83 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 66.9 | 16.8 | 155.6 | -61.5 | 169.9 | -148 | -84.4 | -6 | 119 | ||
| 10 | Q | 54.3 | Low | 59.6 | Low | 57 Ų | 57 | 99 Ų | 99 | 27% | 0.266 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -109.8 | 143.7 | 134.4 | -67.4 | -145.7 | 41.8 | 0 | 0 | 108.4 | E8 Q12 | E8-Q10 PolarHBondContact O-N 3.48Å; Q10-Q12 PolarHBondContact O-N 2.77Å |
| 11 | G | 56.9 | Low | 61 | Low | 71 Ų | 71 | 95.8 Ų | 95.8 | 73% | 0.732 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 100.2 | -161.7 | 0 | 0 | 0 | 0 | 0 | 114 | V13 | G11-V13 VanDerWaalsContact C-N 3.29Å; G11-V13 PolarHBondContact O-N 2.71Å |
| 12 | Q | 54.8 | Low | 63.7 | Low | 179 Ų | 179 | 93.3 Ų | 93.3 | 84% | 0.836 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 21.1 | 59.1 | 173.3 | -162.1 | 167.4 | -21.1 | 0 | 0 | 115.8 | Q10 | Q10-Q12 PolarHBondContact O-N 2.77Š|
| 13 | V | 64.6 | Low | 66.4 | Low | 30 Ų | 30 | 88.6 Ų | 88.6 | 18% | 0.182 | 47% | 0.47 | C | S | . | . | trans | -65.1 | -44.5 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | G11 L16 H19 L27 F54 | G11-V13 VanDerWaalsContact C-N 3.29Å; G11-V13 PolarHBondContact O-N 2.71Å; V13-L16 HydrophobicContact CG1-CD2 4.39Å; V13-H19 PolarHBondContact O-CE1 3.09Å; V13-H19 PolarHBondContact O-NE2 3Å; V13-L27 HydrophobicContact CG1-CD1 3.78Å; V13-L27 HydrophobicContact CG1-CD2 4.15Å; V13-L27 HydrophobicContact CG2-CD2 4.28Å; V13-F54 HydrophobicContact CG1-CZ 4.31Å; V13-F54 HydrophobicContact CG2-CZ 4.27Å | ||
| 14 | G | 71.6 | Confident | 68.8 | Low | 30 Ų | 30 | 84.8 Ų | 84.8 | 31% | 0.309 | 44% | 0.444 | S | S | . | . | trans | 94.6 | -150.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 15 | D | 79.4 | Confident | 71.1 | Confident | 57 Ų | 57 | 85.4 Ų | 85.4 | 31% | 0.305 | 44% | 0.438 | S | S | . | . | trans | -85.7 | 119 | 178.8 | -93.3 | 9.7 | 0 | 0 | 0 | 110.6 | S3 P5 R17 S18 H19 | S3-D15 PolarHBondContact OG-OD2 3.41Å; P5-D15 VanDerWaalsContact CA-OD1 3.23Å; P5-D15 WeakPolarHBondContact CA-OD1 3.35Å; P5-D15 WeakPolarHBondContact CB-OD1 3.24Å; D15-R17 PolarHBondContact O-N 3.1Å; D15-S18 PolarHBondContact O-N 2.84Å; D15-S18 PolarHBondContact O-OG 3.35Å; D15-H19 PolarHBondContact O-CD2 3.17Å; D15-H19 VanDerWaalsContact O-CD2 3.23Å | ||
| 16 | L | 80.9 | Confident | 73.2 | Confident | 19 Ų | 19 | 88.2 Ų | 88.2 | 10% | 0.099 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -19.6 | 179.6 | -72.8 | 172.1 | 0 | 0 | 0 | 114.1 | V13 L24 F54 K57 V58 A61 | V13-L16 HydrophobicContact CG1-CD2 4.39Å; L16-L24 HydrophobicContact CD2-CD2 3.89Å; L16-F54 HydrophobicContact CD2-CE2 4.33Å; L16-F54 HydrophobicContact CD2-CZ 4.23Å; L16-K57 HydrophobicContact CD1-CB 4.48Å; L16-K57 HydrophobicContact CD1-CD 3.67Å; L16-K57 HydrophobicContact CD1-CG 3.77Å; L16-V58 HydrophobicContact CD2-CG2 3.92Å; L16-A61 HydrophobicContact CB-CB 4.33Å |
| 17 | R | 76.1 | Confident | 75.2 | Confident | 176 Ų | 176 | 82.7 Ų | 82.7 | 66% | 0.664 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.4 | 179.8 | -54 | -173.1 | 77.1 | -103.5 | -0.7 | 114.4 | D15 E64 | D15-R17 PolarHBondContact O-N 3.1Å; R17-E64 IonicContact CZ-OE1 2.78Å; R17-E64 VanDerWaalsContact CZ-OE1 3.22Å; R17-E64 IonicContact NE-OE1 3.13Å; R17-E64 PolarHBondContact NE-OE1 3.19Å; R17-E64 IonicContact NE-OE2 2.66Å; R17-E64 IonicContact NH2-OE1 3.93Å; R17-E64 PolarHBondContact NH2-OE1 3.19Å |
| 18 | S | 79.8 | Confident | 77.3 | Confident | 94 Ų | 94 | 79 Ų | 79 | 66% | 0.657 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -105.7 | -0.5 | 176.8 | 47.7 | 0 | 0 | 0 | 0 | 114.7 | D15 | D15-S18 PolarHBondContact O-N 2.84Å; D15-S18 PolarHBondContact O-OG 3.35Å |
| 19 | H | 83.9 | Confident | 79.5 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 17% | 0.167 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -84.4 | 155.3 | 177.1 | -67.2 | -75.9 | 0 | 0 | 0 | 112.2 | V13 D15 E23 L24 | V13-H19 PolarHBondContact O-CE1 3.09Å; V13-H19 PolarHBondContact O-NE2 3Å; D15-H19 PolarHBondContact O-CD2 3.17Å; D15-H19 VanDerWaalsContact O-CD2 3.23Å; H19-E23 HydrophobicContact CB-CB 4.02Å; H19-E23 IonicContact CE1-OE2 2.67Å; H19-E23 IonicContact CG-OE2 2.7Å; H19-E23 IonicContact ND1-OE2 3.22Å; H19-E23 PolarHBondContact ND1-OE2 3.25Å; H19-L24 HydrophobicContact CB-CD2 4.03Å; H19-L24 HydrophobicContact CB-CG 3.9Å |
| 20 | S | 88.5 | Confident | 81.5 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 29% | 0.287 | 38% | 0.378 | S | S | . | . | trans | -66.8 | 160.9 | 163.3 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | E22 E23 L24 | S20-E22 WeakPolarHBondContact CB-OE2 3.39Å; S20-E22 PolarHBondContact O-N 3.01Å; S20-E23 WeakPolarHBondContact CB-OE1 3.35Å; S20-E23 PolarHBondContact N-OE1 3.3Å; S20-E23 PolarHBondContact O-N 3.1Å; S20-E23 WeakPolarHBondContact OG-CB 3.49Å; S20-E23 WeakPolarHBondContact OG-CG 3.41Å; S20-E23 PolarHBondContact OG-N 2.81Å; S20-E23 VanDerWaalsContact OG-N 3.12Å; S20-E23 PolarHBondContact OG-OE1 3.17Å; S20-L24 WeakPolarHBondContact O-CG 3.43Å; S20-L24 PolarHBondContact O-N 3.18Å; S20-L24 VanDerWaalsContact O-N 3.1Å | ||
| 21 | L | 89.9 | Confident | 83.3 | Confident | 31 Ų | 31 | 69.9 Ų | 69.9 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.5 | -34.8 | 176.6 | 180 | 154.2 | 0 | 0 | 0 | 110.3 | L24 Q25 K69 | L21-L24 PolarHBondContact O-N 3.11Å; L21-Q25 HydrophobicContact CD2-CG 4.42Å; L21-Q25 WeakPolarHBondContact O-CG 3.4Å; L21-Q25 PolarHBondContact O-N 3.3Å; L21-K69 HydrophobicContact CD1-CD 4.48Å |
| 22 | E | 91.2 | Very high | 85 | Confident | 106 Ų | 106 | 69.5 Ų | 69.5 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.9 | -43.8 | 179.5 | -60.2 | 71.5 | -159.8 | 0 | 0 | 111.3 | S20 Q25 E26 | S20-E22 WeakPolarHBondContact CB-OE2 3.39Å; S20-E22 PolarHBondContact O-N 3.01Å; E22-Q25 PolarHBondContact O-N 3.34Å; E22-E26 PolarHBondContact O-N 3.04Å |
| 23 | E | 91.4 | Very high | 86.8 | Confident | 87 Ų | 87 | 69 Ų | 69 | 41% | 0.407 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 171.4 | -79.7 | 160.5 | -113.2 | 0 | 0 | 112.7 | H19 S20 Q25 E26 L27 | H19-E23 HydrophobicContact CB-CB 4.02Å; H19-E23 IonicContact CE1-OE2 2.67Å; H19-E23 IonicContact CG-OE2 2.7Å; H19-E23 IonicContact ND1-OE2 3.22Å; H19-E23 PolarHBondContact ND1-OE2 3.25Å; S20-E23 WeakPolarHBondContact CB-OE1 3.35Å; S20-E23 PolarHBondContact N-OE1 3.3Å; S20-E23 PolarHBondContact O-N 3.1Å; S20-E23 WeakPolarHBondContact OG-CB 3.49Å; S20-E23 WeakPolarHBondContact OG-CG 3.41Å; S20-E23 PolarHBondContact OG-N 2.81Å; S20-E23 VanDerWaalsContact OG-N 3.12Å; S20-E23 PolarHBondContact OG-OE1 3.17Å; E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 3.19Å; E23-E26 PolarHBondContact O-N 2.84Å; E23-L27 WeakPolarHBondContact O-CB 3.48Å; E23-L27 WeakPolarHBondContact O-CG 3.43Å; E23-L27 PolarHBondContact O-N 2.9Å |
| 24 | L | 91.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64 | -36.4 | 176.4 | -69.1 | 172.6 | 0 | 0 | 0 | 111.6 | L16 H19 S20 L21 L27 L28 V58 A61 I62 C65 | L16-L24 HydrophobicContact CD2-CD2 3.89Å; H19-L24 HydrophobicContact CB-CD2 4.03Å; H19-L24 HydrophobicContact CB-CG 3.9Å; S20-L24 WeakPolarHBondContact O-CG 3.43Å; S20-L24 PolarHBondContact O-N 3.18Å; S20-L24 VanDerWaalsContact O-N 3.1Å; L21-L24 PolarHBondContact O-N 3.11Å; L24-L27 HydrophobicContact CD2-CD1 4.39Å; L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 PolarHBondContact O-N 3.42Å; L24-V58 HydrophobicContact CB-CG1 4.42Å; L24-V58 HydrophobicContact CD2-CG1 4.44Å; L24-V58 VanDerWaalsContact O-CG1 3.24Å; L24-V58 WeakPolarHBondContact O-CG1 3.39Å; L24-A61 HydrophobicContact CD1-CB 4.17Å; L24-A61 HydrophobicContact CD2-CB 4.33Å; L24-I62 HydrophobicContact CB-CD1 4.22Å; L24-I62 HydrophobicContact CB-CG1 3.59Å; L24-I62 HydrophobicContact CD1-CG1 4.38Å; L24-C65 HydrophobicContact CD1-CB 4.49Å |
| 25 | Q | 92 | Very high | 88.9 | Confident | 95 Ų | 95 | 70 Ų | 70 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 172.2 | -73.9 | 179.1 | -3 | 0 | 0 | 112.4 | L21 E22 E23 L28 L29 I62 | L21-Q25 HydrophobicContact CD2-CG 4.42Å; L21-Q25 WeakPolarHBondContact O-CG 3.4Å; L21-Q25 PolarHBondContact O-N 3.3Å; E22-Q25 PolarHBondContact O-N 3.34Å; E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 3.19Å; Q25-L28 PolarHBondContact O-N 3.44Å; Q25-L29 WeakPolarHBondContact O-CG 3.27Å; Q25-L29 PolarHBondContact O-N 2.94Å; Q25-I62 HydrophobicContact CG-CD1 4.26Å |
| 26 | E | 93.5 | Very high | 89.5 | Confident | 137 Ų | 137 | 71.7 Ų | 71.7 | 64% | 0.64 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 174.9 | -161.8 | -158.2 | 145.2 | 0 | 0 | 111.4 | E22 E23 L28 L29 R30 | E22-E26 PolarHBondContact O-N 3.04Å; E23-E26 PolarHBondContact O-N 2.84Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.05Å; E26-L29 PolarHBondContact O-N 3.25Å; E26-R30 WeakPolarHBondContact O-CB 3.39Å; E26-R30 PolarHBondContact O-N 2.88Å |
| 27 | L | 91.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 74.9 Ų | 74.9 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58 | -44.2 | 175.7 | -76.1 | 167.1 | 0 | 0 | 0 | 111.5 | V13 E23 L24 R30 Q31 V58 | V13-L27 HydrophobicContact CG1-CD1 3.78Å; V13-L27 HydrophobicContact CG1-CD2 4.15Å; V13-L27 HydrophobicContact CG2-CD2 4.28Å; E23-L27 WeakPolarHBondContact O-CB 3.48Å; E23-L27 WeakPolarHBondContact O-CG 3.43Å; E23-L27 PolarHBondContact O-N 2.9Å; L24-L27 HydrophobicContact CD2-CD1 4.39Å; L27-R30 PolarHBondContact O-N 3.2Å; L27-Q31 VanDerWaalsContact O-CG 3.24Å; L27-Q31 WeakPolarHBondContact O-CG 3.37Å; L27-Q31 PolarHBondContact O-N 3.43Å; L27-Q31 VanDerWaalsContact O-N 3.1Å; L27-V58 HydrophobicContact CB-CG1 4.47Å |
| 28 | L | 93.4 | Very high | 90.8 | Very high | 26 Ų | 26 | 74.1 Ų | 74.1 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.2 | -53.5 | 175.3 | -179.7 | 155.7 | 0 | 0 | 0 | 111.3 | L24 Q25 E26 R30 Q31 E32 V58 R59 I62 | L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 PolarHBondContact O-N 3.42Å; Q25-L28 PolarHBondContact O-N 3.44Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.05Å; L28-R30 VanDerWaalsContact C-N 3.28Å; L28-R30 PolarHBondContact O-N 3.32Å; L28-Q31 PolarHBondContact O-N 2.82Å; L28-E32 VanDerWaalsContact CD2-CD 3.44Å; L28-E32 HydrophobicContact CD2-CG 4.18Å; L28-E32 WeakPolarHBondContact CD2-OE1 3.36Å; L28-E32 PolarHBondContact O-N 3.34Å; L28-V58 HydrophobicContact CB-CG1 3.91Å; L28-R59 HydrophobicContact CD1-CG 3.49Å; L28-R59 VanDerWaalsContact CD1-CG 3.49Å; L28-R59 HydrophobicContact CG-CG 4.5Å; L28-I62 HydrophobicContact CB-CD1 4.27Å; L28-I62 HydrophobicContact CD1-CD1 3.62Å |
| 29 | L | 94.3 | Very high | 91.3 | Very high | 109 Ų | 109 | 79.6 Ų | 79.6 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.5 | -39.1 | -179.7 | -70.4 | 170.4 | 0 | 0 | 0 | 112.1 | Q25 E26 K33 | Q25-L29 WeakPolarHBondContact O-CG 3.27Å; Q25-L29 PolarHBondContact O-N 2.94Å; E26-L29 PolarHBondContact O-N 3.25Å; L29-K33 VanDerWaalsContact O-CB 3.31Å; L29-K33 WeakPolarHBondContact O-CB 3.47Å; L29-K33 PolarHBondContact O-N 3.42Å |
| 30 | R | 92.2 | Very high | 91.5 | Very high | 114 Ų | 114 | 82.3 Ų | 82.3 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 175.1 | -178.6 | -175.8 | 171.6 | -75.9 | -2 | 111.7 | E26 L27 L28 I34 | E26-R30 WeakPolarHBondContact O-CB 3.39Å; E26-R30 PolarHBondContact O-N 2.88Å; L27-R30 PolarHBondContact O-N 3.2Å; L28-R30 VanDerWaalsContact C-N 3.28Å; L28-R30 PolarHBondContact O-N 3.32Å; R30-I34 HydrophobicContact CG-CD1 4.39Å; R30-I34 WeakPolarHBondContact O-CD1 3.37Å; R30-I34 WeakPolarHBondContact O-CG1 3.11Å; R30-I34 PolarHBondContact O-N 3.06Å |
| 31 | Q | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75 | -39.1 | -179.3 | -59.8 | -69.5 | 17.4 | 0 | 0 | 111.9 | L27 L28 K33 I34 L35 I51 F54 A55 | L27-Q31 VanDerWaalsContact O-CG 3.24Å; L27-Q31 WeakPolarHBondContact O-CG 3.37Å; L27-Q31 PolarHBondContact O-N 3.43Å; L27-Q31 VanDerWaalsContact O-N 3.1Å; L28-Q31 PolarHBondContact O-N 2.82Å; Q31-K33 VanDerWaalsContact C-N 3.29Å; Q31-K33 PolarHBondContact O-N 3.4Å; Q31-I34 PolarHBondContact O-N 2.81Å; Q31-L35 WeakPolarHBondContact O-CG 3.39Å; Q31-L35 PolarHBondContact O-N 3Å; Q31-I51 HydrophobicContact CB-CG2 4.4Å; Q31-F54 HydrophobicContact CG-CD1 3.75Å; Q31-F54 HydrophobicContact CG-CE1 3.86Å; Q31-F54 VanDerWaalsContact NE2-CD1 3.26Å; Q31-F54 VanDerWaalsContact NE2-CE1 3.29Å; Q31-A55 HydrophobicContact CB-CB 4.16Å |
| 32 | E | 92.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 86.9 Ų | 86.9 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 173.4 | -69.8 | -175.6 | 169.9 | 0 | 0 | 112.1 | L28 I34 L35 S36 R59 | L28-E32 VanDerWaalsContact CD2-CD 3.44Å; L28-E32 HydrophobicContact CD2-CG 4.18Å; L28-E32 WeakPolarHBondContact CD2-OE1 3.36Å; L28-E32 PolarHBondContact O-N 3.34Å; E32-I34 VanDerWaalsContact C-N 3.31Å; E32-I34 PolarHBondContact O-N 2.92Å; E32-L35 PolarHBondContact O-N 2.71Å; E32-S36 WeakPolarHBondContact O-CB 3.35Å; E32-S36 PolarHBondContact O-N 3.39Å; E32-S36 PolarHBondContact O-OG 2.87Å; E32-R59 IonicContact OE1-CZ 3.69Å; E32-R59 IonicContact OE1-NE 2.58Å; E32-R59 IonicContact OE1-NH2 3.44Å; E32-R59 PolarHBondContact OE1-NH2 2.85Å |
| 33 | K | 93.5 | Very high | 91.5 | Very high | 168 Ų | 168 | 87.3 Ų | 87.3 | 73% | 0.73 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.4 | -33.6 | 172.2 | -173.1 | 175.2 | -176 | 175.2 | 0 | 113.1 | L29 Q31 | L29-K33 VanDerWaalsContact O-CB 3.31Å; L29-K33 WeakPolarHBondContact O-CB 3.47Å; L29-K33 PolarHBondContact O-N 3.42Å; Q31-K33 VanDerWaalsContact C-N 3.29Å; Q31-K33 PolarHBondContact O-N 3.4Å |
| 34 | I | 90.4 | Very high | 91.3 | Very high | 37 Ų | 37 | 85.2 Ų | 85.2 | 19% | 0.19 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -74.8 | -45.1 | 174.6 | -66.2 | 162.6 | 0 | 0 | 0 | 110.5 | R30 Q31 E32 S36 N37 F40 L41 I51 | R30-I34 HydrophobicContact CG-CD1 4.39Å; R30-I34 WeakPolarHBondContact O-CD1 3.37Å; R30-I34 WeakPolarHBondContact O-CG1 3.11Å; R30-I34 PolarHBondContact O-N 3.06Å; Q31-I34 PolarHBondContact O-N 2.81Å; E32-I34 VanDerWaalsContact C-N 3.31Å; E32-I34 PolarHBondContact O-N 2.92Å; I34-S36 PolarHBondContact O-N 2.65Å; I34-N37 PolarHBondContact O-N 2.91Å; I34-F40 HydrophobicContact CG2-CD1 3.85Å; I34-F40 HydrophobicContact CG2-CE1 3.68Å; I34-L41 HydrophobicContact CG2-CD2 4.46Å; I34-I51 HydrophobicContact CG2-CD1 3.85Å; I34-I51 HydrophobicContact CG2-CG2 4.22Å |
| 35 | L | 89.6 | Confident | 91.2 | Very high | 45 Ų | 45 | 91.7 Ų | 91.7 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61 | -30.1 | 177.1 | -70.5 | 169.7 | 0 | 0 | 0 | 112.8 | Q31 E32 N37 L41 I51 Q52 A55 | Q31-L35 WeakPolarHBondContact O-CG 3.39Å; Q31-L35 PolarHBondContact O-N 3Å; E32-L35 PolarHBondContact O-N 2.71Å; L35-N37 PolarHBondContact O-N 2.67Å; L35-L41 HydrophobicContact CD2-CD1 4.17Å; L35-L41 HydrophobicContact CD2-CD2 4.33Å; L35-L41 WeakPolarHBondContact O-CD1 3.5Å; L35-I51 HydrophobicContact CD1-CG2 4.42Å; L35-I51 HydrophobicContact CD2-CB 3.94Å; L35-I51 HydrophobicContact CD2-CG2 3.76Å; L35-I51 HydrophobicContact CG-CG2 3.79Å; L35-Q52 HydrophobicContact CD2-CB 4.35Å; L35-A55 HydrophobicContact CD1-CB 4.16Å |
| 36 | S | 92.1 | Very high | 91.1 | Very high | 93 Ų | 93 | 89.1 Ų | 89.1 | 65% | 0.65 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.6 | 173.4 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | E32 I34 K38 | E32-S36 WeakPolarHBondContact O-CB 3.35Å; E32-S36 PolarHBondContact O-N 3.39Å; E32-S36 PolarHBondContact O-OG 2.87Å; I34-S36 PolarHBondContact O-N 2.65Å; S36-K38 PolarHBondContact O-N 3.34Å; S36-K38 VanDerWaalsContact O-N 3.11Å |
| 37 | N | 93.4 | Very high | 90.9 | Very high | 85 Ų | 85 | 87.5 Ų | 87.5 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | trans | -87.1 | 77.2 | -179.2 | -171.7 | -8.1 | 0 | 0 | 0 | 112.1 | I34 L35 R39 F40 L41 | I34-N37 PolarHBondContact O-N 2.91Å; L35-N37 PolarHBondContact O-N 2.67Å; N37-R39 PolarHBondContact O-N 3.46Å; N37-R39 VanDerWaalsContact O-N 3.09Å; N37-R39 PolarHBondContact OD1-N 3.04Å; N37-F40 HydrophobicContact CB-CB 4.06Å; N37-F40 WeakPolarHBondContact O-CB 3.47Å; N37-F40 PolarHBondContact O-N 2.97Å; N37-F40 PolarHBondContact OD1-N 3.15Å; N37-L41 PolarHBondContact O-N 3Å; N37-L41 VanDerWaalsContact O-N 3.12Å | ||
| 38 | K | 90.7 | Very high | 90.7 | Very high | 161 Ų | 161 | 86.3 Ų | 86.3 | 70% | 0.7 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -52.4 | -33 | -178.9 | -60.8 | -176.4 | -179.1 | -178 | 0 | 114.4 | S36 L41 Q42 | S36-K38 PolarHBondContact O-N 3.34Å; S36-K38 VanDerWaalsContact O-N 3.11Å; K38-L41 PolarHBondContact O-N 2.76Å; K38-Q42 VanDerWaalsContact O-CG 3.31Å; K38-Q42 WeakPolarHBondContact O-CG 3.49Å; K38-Q42 PolarHBondContact O-N 2.93Å; K38-Q42 VanDerWaalsContact O-N 3.1Å |
| 39 | R | 90.5 | Very high | 90.5 | Very high | 208 Ų | 208 | 91.9 Ų | 91.9 | 79% | 0.785 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.8 | -40 | 176.9 | -68.7 | -174.7 | -179.9 | -178.7 | 0.6 | 112.1 | N37 T43 | N37-R39 PolarHBondContact O-N 3.46Å; N37-R39 VanDerWaalsContact O-N 3.09Å; N37-R39 PolarHBondContact OD1-N 3.04Å; R39-T43 PolarHBondContact O-N 3.45Å; R39-T43 PolarHBondContact O-OG1 3.03Å |
| 40 | F | 87.8 | Confident | 90.3 | Very high | 93 Ų | 93 | 93.5 Ų | 93.5 | 41% | 0.408 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 174.4 | 174.7 | -105.2 | 0 | 0 | 0 | 110.9 | I34 N37 Q42 T43 L44 I51 | I34-F40 HydrophobicContact CG2-CD1 3.85Å; I34-F40 HydrophobicContact CG2-CE1 3.68Å; N37-F40 HydrophobicContact CB-CB 4.06Å; N37-F40 WeakPolarHBondContact O-CB 3.47Å; N37-F40 PolarHBondContact O-N 2.97Å; N37-F40 PolarHBondContact OD1-N 3.15Å; F40-Q42 VanDerWaalsContact C-N 3.34Å; F40-Q42 PolarHBondContact O-N 3.02Å; F40-T43 WeakPolarHBondContact O-CA 3.42Å; F40-T43 WeakPolarHBondContact O-CB 3.43Å; F40-T43 PolarHBondContact O-N 3.1Å; F40-L44 HydrophobicContact CD1-CD1 4.34Å; F40-L44 HydrophobicContact CE1-CD1 3.86Å; F40-L44 HydrophobicContact CE1-CD2 4.45Å; F40-L44 HydrophobicContact CE1-CG 4.39Å; F40-L44 HydrophobicContact CE2-CD2 4.4Å; F40-L44 HydrophobicContact CZ-CD1 4.28Å; F40-L44 HydrophobicContact CZ-CD2 4.05Å; F40-L44 HydrophobicContact CZ-CG 4.45Å; F40-L44 PolarHBondContact O-N 3.15Å; F40-I51 HydrophobicContact CE1-CD1 4.43Å |
| 41 | L | 88.8 | Confident | 90.1 | Very high | 24 Ų | 24 | 88.7 Ų | 88.7 | 13% | 0.126 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -57.4 | -45 | 177.3 | -56.5 | -172.2 | 0 | 0 | 0 | 112.3 | I34 L35 N37 K38 T43 L44 N47 I51 | I34-L41 HydrophobicContact CG2-CD2 4.46Å; L35-L41 HydrophobicContact CD2-CD1 4.17Å; L35-L41 HydrophobicContact CD2-CD2 4.33Å; L35-L41 WeakPolarHBondContact O-CD1 3.5Å; N37-L41 PolarHBondContact O-N 3Å; N37-L41 VanDerWaalsContact O-N 3.12Å; K38-L41 PolarHBondContact O-N 2.76Å; L41-T43 PolarHBondContact O-N 2.93Å; L41-T43 VanDerWaalsContact O-N 3.16Å; L41-L44 WeakPolarHBondContact O-CB 3.39Å; L41-L44 PolarHBondContact O-N 3.47Å; L41-N47 CarbonylContact O-C 3.6Å; L41-N47 WeakPolarHBondContact O-CA 3.17Å; L41-I51 HydrophobicContact CD2-CD1 3.95Å |
| 42 | Q | 88 | Confident | 90.1 | Very high | 144 Ų | 144 | 93.4 Ų | 93.4 | 67% | 0.673 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -13.2 | 176.5 | -73.4 | 172.8 | -23.1 | 0 | 0 | 114.2 | K38 F40 | K38-Q42 VanDerWaalsContact O-CG 3.31Å; K38-Q42 WeakPolarHBondContact O-CG 3.49Å; K38-Q42 PolarHBondContact O-N 2.93Å; K38-Q42 VanDerWaalsContact O-N 3.1Å; F40-Q42 VanDerWaalsContact C-N 3.34Å; F40-Q42 PolarHBondContact O-N 3.02Å |
| 43 | T | 91.8 | Very high | 90 | Very high | 115 Ų | 115 | 94.6 Ų | 94.6 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -12.9 | 174.2 | -49 | 0 | 0 | 0 | 0 | 111.7 | R39 F40 L41 | R39-T43 PolarHBondContact O-N 3.45Å; R39-T43 PolarHBondContact O-OG1 3.03Å; F40-T43 WeakPolarHBondContact O-CA 3.42Å; F40-T43 WeakPolarHBondContact O-CB 3.43Å; F40-T43 PolarHBondContact O-N 3.1Å; L41-T43 PolarHBondContact O-N 2.93Å; L41-T43 VanDerWaalsContact O-N 3.16Å |
| 44 | L | 88.1 | Confident | 89.8 | Confident | 44 Ų | 44 | 87.2 Ų | 87.2 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -87.7 | 142.8 | 179.9 | -61 | 175.9 | 0 | 0 | 0 | 111.8 | F40 L41 D46 N47 I51 | F40-L44 HydrophobicContact CD1-CD1 4.34Å; F40-L44 HydrophobicContact CE1-CD1 3.86Å; F40-L44 HydrophobicContact CE1-CD2 4.45Å; F40-L44 HydrophobicContact CE1-CG 4.39Å; F40-L44 HydrophobicContact CE2-CD2 4.4Å; F40-L44 HydrophobicContact CZ-CD1 4.28Å; F40-L44 HydrophobicContact CZ-CD2 4.05Å; F40-L44 HydrophobicContact CZ-CG 4.45Å; F40-L44 PolarHBondContact O-N 3.15Å; L41-L44 WeakPolarHBondContact O-CB 3.39Å; L41-L44 PolarHBondContact O-N 3.47Å; L44-D46 WeakPolarHBondContact CB-OD1 3.48Å; L44-D46 PolarHBondContact O-N 2.85Å; L44-D46 VanDerWaalsContact O-N 3.1Å; L44-N47 PolarHBondContact O-N 2.98Å; L44-I51 HydrophobicContact CD1-CD1 3.56Å |
| 45 | P | 89.1 | Confident | 89.9 | Confident | 137 Ų | 137 | 85.8 Ų | 85.8 | 89% | 0.89 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.1 | -177.5 | 28.2 | -36.4 | 0 | 0 | 0 | 114.1 | ||
| 46 | D | 90.2 | Very high | 90 | Very high | 41 Ų | 41 | 88.1 Ų | 88.1 | 22% | 0.219 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 6.7 | 176.7 | 67 | -7.5 | 0 | 0 | 0 | 113.3 | L44 G48 K49 K50 | L44-D46 WeakPolarHBondContact CB-OD1 3.48Å; L44-D46 PolarHBondContact O-N 2.85Å; L44-D46 VanDerWaalsContact O-N 3.1Å; D46-G48 PolarHBondContact O-N 3.44Å; D46-G48 VanDerWaalsContact O-N 3.15Å; D46-G48 WeakPolarHBondContact OD1-CA 3.41Å; D46-G48 PolarHBondContact OD1-N 2.85Å; D46-K49 WeakPolarHBondContact O-CG 3.34Å; D46-K49 PolarHBondContact O-N 2.93Å; D46-K50 WeakPolarHBondContact OD2-CB 3.45Å; D46-K50 WeakPolarHBondContact OD2-CD 3.31Å; D46-K50 VanDerWaalsContact OD2-CG 3.22Å; D46-K50 WeakPolarHBondContact OD2-CG 3.38Å; D46-K50 PolarHBondContact OD2-N 3.35Å |
| 47 | N | 89.1 | Confident | 90 | Very high | 103 Ų | 103 | 87.2 Ų | 87.2 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 23.9 | -169.9 | -69.8 | -93 | 0 | 0 | 0 | 114.2 | L41 L44 | L41-N47 CarbonylContact O-C 3.6Å; L41-N47 WeakPolarHBondContact O-CA 3.17Å; L44-N47 PolarHBondContact O-N 2.98Å |
| 48 | G | 87.6 | Confident | 89.9 | Confident | 3 Ų | 3 | 83.2 Ų | 83.2 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 9.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D46 K50 I51 Q52 | D46-G48 PolarHBondContact O-N 3.44Å; D46-G48 VanDerWaalsContact O-N 3.15Å; D46-G48 WeakPolarHBondContact OD1-CA 3.41Å; D46-G48 PolarHBondContact OD1-N 2.85Å; G48-K50 VanDerWaalsContact C-N 3.31Å; G48-K50 PolarHBondContact O-N 2.94Å; G48-I51 WeakPolarHBondContact O-CA 3.16Å; G48-I51 VanDerWaalsContact O-CB 3.24Å; G48-I51 WeakPolarHBondContact O-CB 3.36Å; G48-I51 PolarHBondContact O-N 3.15Å; G48-Q52 PolarHBondContact O-N 3.19Å |
| 49 | K | 89.8 | Confident | 90.1 | Very high | 143 Ų | 143 | 82.1 Ų | 82.1 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -51.1 | -47.2 | 179.7 | -76 | 178.3 | 178.4 | -173.2 | 0 | 112.9 | D46 I51 Q52 D53 | D46-K49 WeakPolarHBondContact O-CG 3.34Å; D46-K49 PolarHBondContact O-N 2.93Å; K49-I51 PolarHBondContact O-N 2.93Å; K49-I51 VanDerWaalsContact O-N 3.08Å; K49-Q52 WeakPolarHBondContact O-CA 3.45Å; K49-Q52 WeakPolarHBondContact O-CB 3.37Å; K49-Q52 PolarHBondContact O-N 2.95Å; K49-D53 PolarHBondContact O-N 3.4Å |
| 50 | K | 89.7 | Confident | 90.2 | Very high | 143 Ų | 143 | 78.3 Ų | 78.3 | 62% | 0.622 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61 | -22.5 | 177.9 | -65.5 | 177 | -175.9 | -178.2 | 0 | 114.2 | D46 G48 D53 F54 | D46-K50 WeakPolarHBondContact OD2-CB 3.45Å; D46-K50 WeakPolarHBondContact OD2-CD 3.31Å; D46-K50 VanDerWaalsContact OD2-CG 3.22Å; D46-K50 WeakPolarHBondContact OD2-CG 3.38Å; D46-K50 PolarHBondContact OD2-N 3.35Å; G48-K50 VanDerWaalsContact C-N 3.31Å; G48-K50 PolarHBondContact O-N 2.94Å; K50-D53 WeakPolarHBondContact CA-OD2 3.31Å; K50-F54 VanDerWaalsContact O-CB 3.22Å; K50-F54 WeakPolarHBondContact O-CB 3.22Å; K50-F54 PolarHBondContact O-N 3.26Å |
| 51 | I | 88.9 | Confident | 90.4 | Very high | 12 Ų | 12 | 74.5 Ų | 74.5 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -77.7 | -40.2 | 177 | -52.3 | 175.5 | 0 | 0 | 0 | 109.3 | Q31 I34 L35 F40 L41 L44 G48 K49 A55 | Q31-I51 HydrophobicContact CB-CG2 4.4Å; I34-I51 HydrophobicContact CG2-CD1 3.85Å; I34-I51 HydrophobicContact CG2-CG2 4.22Å; L35-I51 HydrophobicContact CD1-CG2 4.42Å; L35-I51 HydrophobicContact CD2-CB 3.94Å; L35-I51 HydrophobicContact CD2-CG2 3.76Å; L35-I51 HydrophobicContact CG-CG2 3.79Å; F40-I51 HydrophobicContact CE1-CD1 4.43Å; L41-I51 HydrophobicContact CD2-CD1 3.95Å; L44-I51 HydrophobicContact CD1-CD1 3.56Å; G48-I51 WeakPolarHBondContact O-CA 3.16Å; G48-I51 VanDerWaalsContact O-CB 3.24Å; G48-I51 WeakPolarHBondContact O-CB 3.36Å; G48-I51 PolarHBondContact O-N 3.15Å; K49-I51 PolarHBondContact O-N 2.93Å; K49-I51 VanDerWaalsContact O-N 3.08Å; I51-A55 WeakPolarHBondContact O-CB 3.37Å; I51-A55 PolarHBondContact O-N 3.24Å |
| 52 | Q | 90.7 | Very high | 90.6 | Very high | 100 Ų | 100 | 74.6 Ų | 74.6 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.3 | -51.2 | 171.8 | -179.5 | 179.7 | -17.3 | 0 | 0 | 111.2 | L35 G48 K49 F54 A55 E56 | L35-Q52 HydrophobicContact CD2-CB 4.35Å; G48-Q52 PolarHBondContact O-N 3.19Å; K49-Q52 WeakPolarHBondContact O-CA 3.45Å; K49-Q52 WeakPolarHBondContact O-CB 3.37Å; K49-Q52 PolarHBondContact O-N 2.95Å; Q52-F54 PolarHBondContact O-N 3.1Å; Q52-A55 PolarHBondContact O-N 3.45Å; Q52-E56 HydrophobicContact CG-CG 4.47Å; Q52-E56 VanDerWaalsContact CG-OE1 3.3Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.47Å; Q52-E56 PolarHBondContact NE2-OE1 3.38Å; Q52-E56 PolarHBondContact O-N 3.17Å |
| 53 | D | 91.1 | Very high | 90.9 | Very high | 88 Ų | 88 | 73.2 Ų | 73.2 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -53.5 | -41 | 178.6 | -54.2 | -31.7 | 0 | 0 | 0 | 111.2 | K49 K50 K57 | K49-D53 PolarHBondContact O-N 3.4Å; K50-D53 WeakPolarHBondContact CA-OD2 3.31Å; D53-K57 WeakPolarHBondContact O-CB 3.41Å; D53-K57 PolarHBondContact O-N 2.91Å |
| 54 | F | 89.3 | Confident | 90.9 | Very high | 13 Ų | 13 | 72.3 Ų | 72.3 | 6% | 0.057 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 176.1 | 179.6 | -87.4 | 0 | 0 | 0 | 112.6 | V13 L16 Q31 K50 Q52 K57 V58 | V13-F54 HydrophobicContact CG1-CZ 4.31Å; V13-F54 HydrophobicContact CG2-CZ 4.27Å; L16-F54 HydrophobicContact CD2-CE2 4.33Å; L16-F54 HydrophobicContact CD2-CZ 4.23Å; Q31-F54 HydrophobicContact CG-CD1 3.75Å; Q31-F54 HydrophobicContact CG-CE1 3.86Å; Q31-F54 VanDerWaalsContact NE2-CD1 3.26Å; Q31-F54 VanDerWaalsContact NE2-CE1 3.29Å; K50-F54 VanDerWaalsContact O-CB 3.22Å; K50-F54 WeakPolarHBondContact O-CB 3.22Å; K50-F54 PolarHBondContact O-N 3.26Å; Q52-F54 PolarHBondContact O-N 3.1Å; F54-K57 PolarHBondContact O-N 3.37Å; F54-V58 HydrophobicContact CD1-CG2 3.94Å; F54-V58 HydrophobicContact CE1-CG2 3.42Å; F54-V58 VanDerWaalsContact CE1-CG2 3.42Å; F54-V58 HydrophobicContact CE2-CG2 4.38Å; F54-V58 HydrophobicContact CZ-CG2 3.68Å; F54-V58 WeakPolarHBondContact O-CG2 3.33Å; F54-V58 PolarHBondContact O-N 3.16Å |
| 55 | A | 91.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 72 Ų | 72 | 5% | 0.05 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q31 L35 I51 Q52 V58 R59 | Q31-A55 HydrophobicContact CB-CB 4.16Å; L35-A55 HydrophobicContact CD1-CB 4.16Å; I51-A55 WeakPolarHBondContact O-CB 3.37Å; I51-A55 PolarHBondContact O-N 3.24Å; Q52-A55 PolarHBondContact O-N 3.45Å; A55-V58 PolarHBondContact O-N 3.47Å; A55-R59 WeakPolarHBondContact O-CG 3.49Å; A55-R59 PolarHBondContact O-N 3.27Å |
| 56 | E | 92.6 | Very high | 91 | Very high | 95 Ų | 95 | 67.1 Ų | 67.1 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 172.5 | -69.8 | 178.3 | -159.1 | 0 | 0 | 111.3 | Q52 V58 R59 L60 | Q52-E56 HydrophobicContact CG-CG 4.47Å; Q52-E56 VanDerWaalsContact CG-OE1 3.3Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.47Å; Q52-E56 PolarHBondContact NE2-OE1 3.38Å; Q52-E56 PolarHBondContact O-N 3.17Å; E56-V58 PolarHBondContact O-N 2.97Å; E56-R59 WeakPolarHBondContact O-CB 3.41Å; E56-R59 PolarHBondContact O-N 2.86Å; E56-L60 WeakPolarHBondContact O-CG 3.43Å; E56-L60 PolarHBondContact O-N 3.15Å |
| 57 | K | 91.6 | Very high | 91.1 | Very high | 74 Ų | 74 | 68.7 Ų | 68.7 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 174.1 | -165.1 | -175.3 | -179.1 | -163.9 | 0 | 113.2 | W6 L16 D53 F54 L60 A61 | W6-K57 VanDerWaalsContact CD1-NZ 3.33Å; W6-K57 VanDerWaalsContact NE1-NZ 3.15Å; L16-K57 HydrophobicContact CD1-CB 4.48Å; L16-K57 HydrophobicContact CD1-CD 3.67Å; L16-K57 HydrophobicContact CD1-CG 3.77Å; D53-K57 WeakPolarHBondContact O-CB 3.41Å; D53-K57 PolarHBondContact O-N 2.91Å; F54-K57 PolarHBondContact O-N 3.37Å; K57-L60 PolarHBondContact O-N 3.1Å; K57-A61 PolarHBondContact O-N 2.99Å |
| 58 | V | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 111 | L16 L24 L27 L28 F54 A55 E56 L60 A61 I62 | L16-V58 HydrophobicContact CD2-CG2 3.92Å; L24-V58 HydrophobicContact CB-CG1 4.42Å; L24-V58 HydrophobicContact CD2-CG1 4.44Å; L24-V58 VanDerWaalsContact O-CG1 3.24Å; L24-V58 WeakPolarHBondContact O-CG1 3.39Å; L27-V58 HydrophobicContact CB-CG1 4.47Å; L28-V58 HydrophobicContact CB-CG1 3.91Å; F54-V58 HydrophobicContact CD1-CG2 3.94Å; F54-V58 HydrophobicContact CE1-CG2 3.42Å; F54-V58 VanDerWaalsContact CE1-CG2 3.42Å; F54-V58 HydrophobicContact CE2-CG2 4.38Å; F54-V58 HydrophobicContact CZ-CG2 3.68Å; F54-V58 WeakPolarHBondContact O-CG2 3.33Å; F54-V58 PolarHBondContact O-N 3.16Å; A55-V58 PolarHBondContact O-N 3.47Å; E56-V58 PolarHBondContact O-N 2.97Å; V58-L60 VanDerWaalsContact C-N 3.32Å; V58-L60 PolarHBondContact O-N 2.96Å; V58-A61 PolarHBondContact O-N 3.35Å; V58-A61 VanDerWaalsContact O-N 3.13Å; V58-I62 HydrophobicContact CG1-CD1 4.07Å; V58-I62 HydrophobicContact CG1-CG1 4.46Å; V58-I62 WeakPolarHBondContact O-CG1 3.3Å; V58-I62 PolarHBondContact O-N 3.39Å |
| 59 | R | 93.8 | Very high | 91.4 | Very high | 139 Ų | 139 | 72 Ų | 72 | 53% | 0.525 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 173.4 | -74.8 | 173.1 | 174.8 | -171.2 | -2.9 | 112 | L28 E32 A55 E56 I62 E63 | L28-R59 HydrophobicContact CD1-CG 3.49Å; L28-R59 VanDerWaalsContact CD1-CG 3.49Å; L28-R59 HydrophobicContact CG-CG 4.5Å; E32-R59 IonicContact OE1-CZ 3.69Å; E32-R59 IonicContact OE1-NE 2.58Å; E32-R59 IonicContact OE1-NH2 3.44Å; E32-R59 PolarHBondContact OE1-NH2 2.85Å; A55-R59 WeakPolarHBondContact O-CG 3.49Å; A55-R59 PolarHBondContact O-N 3.27Å; E56-R59 WeakPolarHBondContact O-CB 3.41Å; E56-R59 PolarHBondContact O-N 2.86Å; R59-I62 PolarHBondContact O-N 3.44Å; R59-E63 PolarHBondContact O-N 3.35Å |
| 60 | L | 93.2 | Very high | 91.6 | Very high | 127 Ų | 127 | 72.2 Ų | 72.2 | 67% | 0.665 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.1 | -37.7 | 174.7 | -68.4 | 171.7 | 0 | 0 | 0 | 112.8 | E56 K57 V58 E63 E64 | E56-L60 WeakPolarHBondContact O-CG 3.43Å; E56-L60 PolarHBondContact O-N 3.15Å; K57-L60 PolarHBondContact O-N 3.1Å; V58-L60 VanDerWaalsContact C-N 3.32Å; V58-L60 PolarHBondContact O-N 2.96Å; L60-E63 PolarHBondContact O-N 3.24Å; L60-E64 PolarHBondContact O-N 3.25Å |
| 61 | A | 91.6 | Very high | 91.9 | Very high | 13 Ų | 13 | 71.6 Ų | 71.6 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.3 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L16 L24 K57 V58 E63 C65 | L16-A61 HydrophobicContact CB-CB 4.33Å; L24-A61 HydrophobicContact CD1-CB 4.17Å; L24-A61 HydrophobicContact CD2-CB 4.33Å; K57-A61 PolarHBondContact O-N 2.99Å; V58-A61 PolarHBondContact O-N 3.35Å; V58-A61 VanDerWaalsContact O-N 3.13Å; A61-E63 VanDerWaalsContact C-N 3.32Å; A61-C65 VanDerWaalsContact O-CB 3.25Å; A61-C65 WeakPolarHBondContact O-CB 3.47Å; A61-C65 PolarHBondContact O-N 3.49Å |
| 62 | I | 93 | Very high | 92.2 | Very high | 26 Ų | 26 | 76.3 Ų | 76.3 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 173 | -67.8 | 166.7 | 0 | 0 | 0 | 110.4 | L24 Q25 L28 V58 R59 C65 S66 | L24-I62 HydrophobicContact CB-CD1 4.22Å; L24-I62 HydrophobicContact CB-CG1 3.59Å; L24-I62 HydrophobicContact CD1-CG1 4.38Å; Q25-I62 HydrophobicContact CG-CD1 4.26Å; L28-I62 HydrophobicContact CB-CD1 4.27Å; L28-I62 HydrophobicContact CD1-CD1 3.62Å; V58-I62 HydrophobicContact CG1-CD1 4.07Å; V58-I62 HydrophobicContact CG1-CG1 4.46Å; V58-I62 WeakPolarHBondContact O-CG1 3.3Å; V58-I62 PolarHBondContact O-N 3.39Å; R59-I62 PolarHBondContact O-N 3.44Å; I62-C65 PolarHBondContact O-N 3.06Å; I62-S66 WeakPolarHBondContact O-CB 3.38Å; I62-S66 PolarHBondContact O-N 3.25Å; I62-S66 PolarHBondContact O-OG 2.58Å |
| 63 | E | 93.7 | Very high | 92.5 | Very high | 116 Ų | 116 | 75.4 Ų | 75.4 | 54% | 0.542 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.4 | -39.2 | 178.7 | -162.3 | 70.4 | 173.4 | 0 | 0 | 112.6 | R59 L60 A61 C65 S66 E67 | R59-E63 PolarHBondContact O-N 3.35Å; L60-E63 PolarHBondContact O-N 3.24Å; A61-E63 VanDerWaalsContact C-N 3.32Å; E63-C65 VanDerWaalsContact C-N 3.29Å; E63-C65 PolarHBondContact O-N 2.86Å; E63-S66 PolarHBondContact O-N 2.99Å; E63-S66 PolarHBondContact O-OG 2.77Å; E63-S66 VanDerWaalsContact O-OG 3.05Å; E63-E67 PolarHBondContact O-N 3.38Å; E63-E67 VanDerWaalsContact O-N 3.11Å |
| 64 | E | 91.7 | Very high | 92.8 | Very high | 95 Ų | 95 | 76.7 Ų | 76.7 | 44% | 0.444 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 170.4 | -171.6 | -173.7 | 159.2 | 0 | 0 | 110.8 | R17 L60 E68 | R17-E64 IonicContact CZ-OE1 2.78Å; R17-E64 VanDerWaalsContact CZ-OE1 3.22Å; R17-E64 IonicContact NE-OE1 3.13Å; R17-E64 PolarHBondContact NE-OE1 3.19Å; R17-E64 IonicContact NE-OE2 2.66Å; R17-E64 IonicContact NH2-OE1 3.93Å; R17-E64 PolarHBondContact NH2-OE1 3.19Å; L60-E64 PolarHBondContact O-N 3.25Å; E64-E68 VanDerWaalsContact O-CB 3.24Å; E64-E68 WeakPolarHBondContact O-CB 3.44Å; E64-E68 PolarHBondContact O-N 3.5Å |
| 65 | C | 89.8 | Confident | 93.2 | Very high | 39 Ų | 39 | 82.5 Ų | 82.5 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.1 | -38.1 | -179.3 | -166.5 | 0 | 0 | 0 | 0 | 112.9 | L24 A61 I62 E63 K69 | L24-C65 HydrophobicContact CD1-CB 4.49Å; A61-C65 VanDerWaalsContact O-CB 3.25Å; A61-C65 WeakPolarHBondContact O-CB 3.47Å; A61-C65 PolarHBondContact O-N 3.49Å; I62-C65 PolarHBondContact O-N 3.06Å; E63-C65 VanDerWaalsContact C-N 3.29Å; E63-C65 PolarHBondContact O-N 2.86Å; C65-K69 WeakPolarHBondContact O-CB 3.22Å; C65-K69 PolarHBondContact O-N 2.98Å |
| 66 | S | 90.1 | Very high | 93.5 | Very high | 34 Ų | 34 | 85.9 Ų | 85.9 | 24% | 0.238 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68 | -42.2 | 178.4 | 72.5 | 0 | 0 | 0 | 0 | 111.6 | I62 E63 K69 R70 | I62-S66 WeakPolarHBondContact O-CB 3.38Å; I62-S66 PolarHBondContact O-N 3.25Å; I62-S66 PolarHBondContact O-OG 2.58Å; E63-S66 PolarHBondContact O-N 2.99Å; E63-S66 PolarHBondContact O-OG 2.77Å; E63-S66 VanDerWaalsContact O-OG 3.05Å; S66-K69 PolarHBondContact O-N 3.08Å; S66-R70 PolarHBondContact O-N 2.97Å |
| 67 | E | 92.6 | Very high | 93.7 | Very high | 73 Ų | 73 | 83.7 Ų | 83.7 | 34% | 0.341 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.5 | -34.5 | 176.7 | -72.5 | -54.1 | 126.1 | 0 | 0 | 113.1 | E63 R70 R71 | E63-E67 PolarHBondContact O-N 3.38Å; E63-E67 VanDerWaalsContact O-N 3.11Å; E67-R70 VanDerWaalsContact CD-NE 3.25Å; E67-R70 PolarHBondContact O-N 2.91Å; E67-R70 IonicContact OE1-CZ 2.66Å; E67-R70 IonicContact OE1-NE 2.73Å; E67-R70 PolarHBondContact OE1-NE 3.24Å; E67-R70 IonicContact OE1-NH2 4Å; E67-R70 PolarHBondContact OE1-NH2 3.11Å; E67-R70 WeakPolarHBondContact OE2-CD 3.24Å; E67-R70 IonicContact OE2-CZ 2.74Å; E67-R70 IonicContact OE2-NE 3.54Å; E67-R70 PolarHBondContact OE2-NE 3.48Å; E67-R71 WeakPolarHBondContact O-CB 3.36Å; E67-R71 PolarHBondContact O-N 2.88Å |
| 68 | E | 91.4 | Very high | 94 | Very high | 58 Ų | 58 | 82.9 Ų | 82.9 | 27% | 0.271 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.9 | -48.7 | 167.7 | 179.2 | 66.3 | -117.3 | 0 | 0 | 110.5 | E64 R70 R71 Q72 | E64-E68 VanDerWaalsContact O-CB 3.24Å; E64-E68 WeakPolarHBondContact O-CB 3.44Å; E64-E68 PolarHBondContact O-N 3.5Å; E68-R70 PolarHBondContact O-N 3.49Å; E68-R71 PolarHBondContact O-N 3.28Å; E68-R71 IonicContact OE1-CZ 2.67Å; E68-R71 IonicContact OE1-NH1 2.89Å; E68-R71 PolarHBondContact OE1-NH1 2.95Å; E68-R71 IonicContact OE1-NH2 2.6Å; E68-R71 PolarHBondContact OE1-NH2 3.12Å; E68-R71 IonicContact OE2-CZ 3.54Å; E68-R71 IonicContact OE2-NH1 3.82Å; E68-R71 PolarHBondContact OE2-NH1 3.41Å; E68-R71 IonicContact OE2-NH2 3.62Å; E68-R71 PolarHBondContact OE2-NH2 3.04Å; E68-Q72 WeakPolarHBondContact O-CB 3.47Å; E68-Q72 VanDerWaalsContact O-CG 3.31Å; E68-Q72 WeakPolarHBondContact O-CG 3.5Å; E68-Q72 PolarHBondContact O-N 3.47Å; E68-Q72 WeakPolarHBondContact OE1-CG 3.43Å; E68-Q72 PolarHBondContact OE1-NE2 3.5Å |
| 69 | K | 91.4 | Very high | 94.3 | Very high | 118 Ų | 118 | 90.9 Ų | 90.9 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 177.5 | -163.6 | 169.2 | -174.6 | 171.8 | 0 | 112 | L21 C65 S66 S73 | L21-K69 HydrophobicContact CD1-CD 4.48Å; C65-K69 WeakPolarHBondContact O-CB 3.22Å; C65-K69 PolarHBondContact O-N 2.98Å; S66-K69 PolarHBondContact O-N 3.08Å; K69-S73 WeakPolarHBondContact O-CB 3.41Å; K69-S73 PolarHBondContact O-N 3.12Å |
| 70 | R | 94.4 | Very high | 94.4 | Very high | 148 Ų | 148 | 86.8 Ų | 86.8 | 56% | 0.558 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.4 | -50.1 | 172.5 | -168.5 | -159.4 | -60.9 | -92 | 2.8 | 111.3 | S66 E67 E68 S73 L74 | S66-R70 PolarHBondContact O-N 2.97Å; E67-R70 VanDerWaalsContact CD-NE 3.25Å; E67-R70 PolarHBondContact O-N 2.91Å; E67-R70 IonicContact OE1-CZ 2.66Å; E67-R70 IonicContact OE1-NE 2.73Å; E67-R70 PolarHBondContact OE1-NE 3.24Å; E67-R70 IonicContact OE1-NH2 4Å; E67-R70 PolarHBondContact OE1-NH2 3.11Å; E67-R70 WeakPolarHBondContact OE2-CD 3.24Å; E67-R70 IonicContact OE2-CZ 2.74Å; E67-R70 IonicContact OE2-NE 3.54Å; E67-R70 PolarHBondContact OE2-NE 3.48Å; E68-R70 PolarHBondContact O-N 3.49Å; R70-S73 WeakPolarHBondContact O-CB 3.23Å; R70-S73 PolarHBondContact O-N 3.09Å; R70-L74 HydrophobicContact CG-CD1 4.49Å; R70-L74 WeakPolarHBondContact O-CG 3.37Å; R70-L74 PolarHBondContact O-N 2.87Å |
| 71 | R | 96 | Very high | 94.5 | Very high | 129 Ų | 129 | 85.9 Ų | 85.9 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 179 | 172 | 164.5 | 45.2 | 59.8 | 5.8 | 111.9 | E67 E68 S73 L74 M75 | E67-R71 WeakPolarHBondContact O-CB 3.36Å; E67-R71 PolarHBondContact O-N 2.88Å; E68-R71 PolarHBondContact O-N 3.28Å; E68-R71 IonicContact OE1-CZ 2.67Å; E68-R71 IonicContact OE1-NH1 2.89Å; E68-R71 PolarHBondContact OE1-NH1 2.95Å; E68-R71 IonicContact OE1-NH2 2.6Å; E68-R71 PolarHBondContact OE1-NH2 3.12Å; E68-R71 IonicContact OE2-CZ 3.54Å; E68-R71 IonicContact OE2-NH1 3.82Å; E68-R71 PolarHBondContact OE2-NH1 3.41Å; E68-R71 IonicContact OE2-NH2 3.62Å; E68-R71 PolarHBondContact OE2-NH2 3.04Å; R71-S73 VanDerWaalsContact C-N 3.34Å; R71-S73 PolarHBondContact O-N 3.13Å; R71-L74 PolarHBondContact O-N 3.24Å; R71-M75 HydrophobicContact CG-CG 4.38Å; R71-M75 VanDerWaalsContact O-CG 3.26Å; R71-M75 WeakPolarHBondContact O-CG 3.46Å; R71-M75 PolarHBondContact O-N 2.89Å |
| 72 | Q | 95.1 | Very high | 94.7 | Very high | 112 Ų | 112 | 91 Ų | 91 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 175.4 | -72 | 178 | 15.2 | 0 | 0 | 111.9 | E68 M75 S76 | E68-Q72 WeakPolarHBondContact O-CB 3.47Å; E68-Q72 VanDerWaalsContact O-CG 3.31Å; E68-Q72 WeakPolarHBondContact O-CG 3.5Å; E68-Q72 PolarHBondContact O-N 3.47Å; E68-Q72 WeakPolarHBondContact OE1-CG 3.43Å; E68-Q72 PolarHBondContact OE1-NE2 3.5Å; Q72-M75 PolarHBondContact O-N 2.99Å; Q72-S76 WeakPolarHBondContact O-CB 3.48Å; Q72-S76 PolarHBondContact O-N 3.27Å |
| 73 | S | 96.9 | Very high | 94.8 | Very high | 80 Ų | 80 | 93.7 Ų | 93.7 | 56% | 0.559 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.8 | -48 | 174.1 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | K69 R70 R71 M75 S76 A77 | K69-S73 WeakPolarHBondContact O-CB 3.41Å; K69-S73 PolarHBondContact O-N 3.12Å; R70-S73 WeakPolarHBondContact O-CB 3.23Å; R70-S73 PolarHBondContact O-N 3.09Å; R71-S73 VanDerWaalsContact C-N 3.34Å; R71-S73 PolarHBondContact O-N 3.13Å; S73-M75 PolarHBondContact O-N 2.99Å; S73-S76 WeakPolarHBondContact O-CB 3.49Å; S73-S76 PolarHBondContact O-N 3.47Å; S73-A77 WeakPolarHBondContact O-CB 3.43Å; S73-A77 PolarHBondContact O-N 3.36Å |
| 74 | L | 97.8 | Very high | 94.9 | Very high | 115 Ų | 115 | 91.7 Ų | 91.7 | 60% | 0.602 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.1 | -42.4 | 176.6 | -70.2 | 169.7 | 0 | 0 | 0 | 112.7 | R70 R71 S76 A77 A78 | R70-L74 HydrophobicContact CG-CD1 4.49Å; R70-L74 WeakPolarHBondContact O-CG 3.37Å; R70-L74 PolarHBondContact O-N 2.87Å; R71-L74 PolarHBondContact O-N 3.24Å; L74-S76 VanDerWaalsContact C-N 3.34Å; L74-A77 PolarHBondContact O-N 3.28Å; L74-A78 WeakPolarHBondContact O-CB 3.38Å; L74-A78 PolarHBondContact O-N 3.04Å |
| 75 | M | 97 | Very high | 95.1 | Very high | 135 Ų | 135 | 92.9 Ų | 92.9 | 67% | 0.665 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.7 | -36.8 | 176.1 | -69.4 | -67.1 | -68.9 | 0 | 0 | 112.2 | R71 Q72 S73 R79 | R71-M75 HydrophobicContact CG-CG 4.38Å; R71-M75 VanDerWaalsContact O-CG 3.26Å; R71-M75 WeakPolarHBondContact O-CG 3.46Å; R71-M75 PolarHBondContact O-N 2.89Å; Q72-M75 PolarHBondContact O-N 2.99Å; S73-M75 PolarHBondContact O-N 2.99Å; M75-R79 WeakPolarHBondContact O-CB 3.24Å; M75-R79 PolarHBondContact O-N 3.31Å |
| 76 | S | 97.8 | Very high | 95.2 | Very high | 78 Ų | 78 | 97.2 Ų | 97.2 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 175.2 | -165.8 | 0 | 0 | 0 | 0 | 111.5 | Q72 S73 L74 R79 A80 | Q72-S76 WeakPolarHBondContact O-CB 3.48Å; Q72-S76 PolarHBondContact O-N 3.27Å; S73-S76 WeakPolarHBondContact O-CB 3.49Å; S73-S76 PolarHBondContact O-N 3.47Å; L74-S76 VanDerWaalsContact C-N 3.34Å; S76-R79 PolarHBondContact O-N 3.37Å; S76-A80 WeakPolarHBondContact O-CB 3.28Å; S76-A80 PolarHBondContact O-N 3.05Å |
| 77 | A | 97.8 | Very high | 95.3 | Very high | 49 Ų | 49 | 101.4 Ų | 101.4 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S73 L74 R79 A80 E81 | S73-A77 WeakPolarHBondContact O-CB 3.43Å; S73-A77 PolarHBondContact O-N 3.36Å; L74-A77 PolarHBondContact O-N 3.28Å; A77-R79 VanDerWaalsContact C-N 3.29Å; A77-R79 PolarHBondContact O-N 2.84Å; A77-A80 PolarHBondContact O-N 2.89Å; A77-A80 VanDerWaalsContact O-N 3.15Å; A77-E81 PolarHBondContact O-N 3.07Å |
| 78 | A | 97.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 102.3 Ų | 102.3 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -37 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L74 L82 | L74-A78 WeakPolarHBondContact O-CB 3.38Å; L74-A78 PolarHBondContact O-N 3.04Å; A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 PolarHBondContact O-N 3.1Å; A78-L82 VanDerWaalsContact O-N 3.11Å |
| 79 | R | 96.9 | Very high | 95.1 | Very high | 168 Ų | 168 | 102.1 Ų | 102.1 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -45.8 | 172.5 | -179.2 | -177.4 | 175 | 164.1 | 2.7 | 111.6 | M75 S76 A77 L82 Q83 | M75-R79 WeakPolarHBondContact O-CB 3.24Å; M75-R79 PolarHBondContact O-N 3.31Å; S76-R79 PolarHBondContact O-N 3.37Å; A77-R79 VanDerWaalsContact C-N 3.29Å; A77-R79 PolarHBondContact O-N 2.84Å; R79-L82 PolarHBondContact O-N 2.92Å; R79-Q83 HydrophobicContact CG-CG 4.45Å; R79-Q83 WeakPolarHBondContact O-CB 3.34Å; R79-Q83 WeakPolarHBondContact O-CG 3.49Å; R79-Q83 PolarHBondContact O-N 3.44Å |
| 80 | A | 96.1 | Very high | 94.5 | Very high | 53 Ų | 53 | 100.7 Ų | 100.7 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | S76 A77 Q83 S84 | S76-A80 WeakPolarHBondContact O-CB 3.28Å; S76-A80 PolarHBondContact O-N 3.05Å; A77-A80 PolarHBondContact O-N 2.89Å; A77-A80 VanDerWaalsContact O-N 3.15Å; A80-Q83 PolarHBondContact O-N 2.93Å; A80-S84 VanDerWaalsContact O-CB 3.23Å; A80-S84 WeakPolarHBondContact O-CB 3.18Å; A80-S84 PolarHBondContact O-N 3.28Å |
| 81 | E | 96.7 | Very high | 93.7 | Very high | 108 Ų | 108 | 96.1 Ų | 96.1 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -48 | 171 | -84.3 | -166.6 | -131.3 | 0 | 0 | 112.4 | A77 S84 K85 | A77-E81 PolarHBondContact O-N 3.07Å; E81-S84 PolarHBondContact O-N 3.24Å; E81-K85 WeakPolarHBondContact O-CB 3.39Å; E81-K85 WeakPolarHBondContact O-CD 3.48Å; E81-K85 VanDerWaalsContact O-CG 3.3Å; E81-K85 WeakPolarHBondContact O-CG 3.48Å; E81-K85 PolarHBondContact O-N 2.78Å; E81-K85 IonicContact OE2-NZ 3.42Å; E81-K85 PolarHBondContact OE2-NZ 2.83Å |
| 82 | L | 95.9 | Very high | 92.2 | Very high | 121 Ų | 121 | 97 Ų | 97 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | 179.3 | -177.3 | 149.9 | 0 | 0 | 0 | 111.1 | A78 R79 Y86 | A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 PolarHBondContact O-N 3.1Å; A78-L82 VanDerWaalsContact O-N 3.11Å; R79-L82 PolarHBondContact O-N 2.92Å; L82-Y86 WeakPolarHBondContact O-CB 3.25Å; L82-Y86 PolarHBondContact O-N 2.94Å |
| 83 | Q | 95.1 | Very high | 90.5 | Very high | 83 Ų | 83 | 98.5 Ų | 98.5 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 174.6 | -72.4 | 179 | -65 | 0 | 0 | 111.6 | R79 A80 Y86 H87 | R79-Q83 HydrophobicContact CG-CG 4.45Å; R79-Q83 WeakPolarHBondContact O-CB 3.34Å; R79-Q83 WeakPolarHBondContact O-CG 3.49Å; R79-Q83 PolarHBondContact O-N 3.44Å; A80-Q83 PolarHBondContact O-N 2.93Å; Q83-Y86 WeakPolarHBondContact O-CB 3.38Å; Q83-Y86 PolarHBondContact O-N 3.23Å; Q83-H87 PolarHBondContact O-N 3.39Å; Q83-H87 PolarHBondContact O-ND1 3.01Å |
| 84 | S | 95 | Very high | 88.4 | Confident | 73 Ų | 73 | 101.9 Ų | 101.9 | 51% | 0.51 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | A80 E81 Y86 H87 Q88 | A80-S84 VanDerWaalsContact O-CB 3.23Å; A80-S84 WeakPolarHBondContact O-CB 3.18Å; A80-S84 PolarHBondContact O-N 3.28Å; E81-S84 PolarHBondContact O-N 3.24Å; S84-Y86 VanDerWaalsContact C-N 3.28Å; S84-Y86 PolarHBondContact O-N 3.07Å; S84-H87 PolarHBondContact O-N 3.15Å; S84-Q88 VanDerWaalsContact O-CB 3.26Å; S84-Q88 WeakPolarHBondContact O-CB 3.03Å; S84-Q88 PolarHBondContact O-N 3.48Å |
| 85 | K | 94.9 | Very high | 86.1 | Confident | 121 Ų | 121 | 103.6 Ų | 103.6 | 53% | 0.526 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.4 | -37.3 | 175.2 | -73.8 | 162.3 | 179.1 | 159.3 | 0 | 112.3 | E81 A89 | E81-K85 WeakPolarHBondContact O-CB 3.39Å; E81-K85 WeakPolarHBondContact O-CD 3.48Å; E81-K85 VanDerWaalsContact O-CG 3.3Å; E81-K85 WeakPolarHBondContact O-CG 3.48Å; E81-K85 PolarHBondContact O-N 2.78Å; E81-K85 IonicContact OE2-NZ 3.42Å; E81-K85 PolarHBondContact OE2-NZ 2.83Å; K85-A89 WeakPolarHBondContact O-CB 3.45Å; K85-A89 PolarHBondContact O-N 2.61Å |
| 86 | Y | 93.8 | Very high | 83.5 | Confident | 130 Ų | 130 | 101.3 Ų | 101.3 | 51% | 0.51 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -58.6 | 172.7 | -176.2 | -82.6 | 0 | 0 | 0 | 111.3 | L82 Q83 S84 Q88 A89 F90 | L82-Y86 WeakPolarHBondContact O-CB 3.25Å; L82-Y86 PolarHBondContact O-N 2.94Å; Q83-Y86 WeakPolarHBondContact O-CB 3.38Å; Q83-Y86 PolarHBondContact O-N 3.23Å; S84-Y86 VanDerWaalsContact C-N 3.28Å; S84-Y86 PolarHBondContact O-N 3.07Å; Y86-Q88 PolarHBondContact O-N 3.17Å; Y86-A89 PolarHBondContact O-N 2.8Å; Y86-A89 VanDerWaalsContact O-N 3.09Å; Y86-F90 AromaticContact CD1-CD2 3.88Å; Y86-F90 HydrophobicContact CD1-CD2 3.88Å; Y86-F90 HydrophobicContact CD1-CE2 4.25Å; Y86-F90 HydrophobicContact CD2-CD2 4.2Å; Y86-F90 AromaticContact CD2-CE2 3.85Å; Y86-F90 HydrophobicContact CD2-CE2 3.85Å; Y86-F90 AromaticContact CE1-CD2 3.63Å; Y86-F90 HydrophobicContact CE1-CD2 3.63Å; Y86-F90 AromaticContact CE1-CE2 3.79Å; Y86-F90 HydrophobicContact CE1-CE2 3.79Å; Y86-F90 HydrophobicContact CE1-CG 4.34Å; Y86-F90 AromaticContact CE2-CD2 4Å; Y86-F90 HydrophobicContact CE2-CD2 4Å; Y86-F90 AromaticContact CE2-CE2 3.36Å; Y86-F90 HydrophobicContact CE2-CE2 3.36Å; Y86-F90 HydrophobicContact CE2-CZ 4.13Å; Y86-F90 HydrophobicContact CG-CD2 4.14Å; Y86-F90 HydrophobicContact CG-CE2 4.27Å; Y86-F90 AromaticContact CZ-CD2 3.69Å; Y86-F90 AromaticContact CZ-CE2 3.31Å; Y86-F90 AromaticContact CZ-CZ 3.91Å; Y86-F90 WeakPolarHBondContact O-CD2 3.24Å; Y86-F90 PolarHBondContact O-N 2.84Å |
| 87 | H | 90.8 | Very high | 80.8 | Confident | 122 Ų | 122 | 101 Ų | 101 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -34 | -178.4 | -67.8 | 87.6 | 0 | 0 | 0 | 112.3 | Q83 S84 S91 | Q83-H87 PolarHBondContact O-N 3.39Å; Q83-H87 PolarHBondContact O-ND1 3.01Å; S84-H87 PolarHBondContact O-N 3.15Å; H87-S91 WeakPolarHBondContact O-CB 3.39Å; H87-S91 PolarHBondContact O-N 2.88Å; H87-S91 PolarHBondContact O-OG 3.44Å |
| 88 | Q | 91.3 | Very high | 78.2 | Confident | 91 Ų | 91 | 103.9 Ų | 103.9 | 43% | 0.425 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 173.3 | -177.5 | 176.5 | 27.6 | 0 | 0 | 112.6 | S84 Y86 F90 S91 Y92 | S84-Q88 VanDerWaalsContact O-CB 3.26Å; S84-Q88 WeakPolarHBondContact O-CB 3.03Å; S84-Q88 PolarHBondContact O-N 3.48Å; Y86-Q88 PolarHBondContact O-N 3.17Å; Q88-F90 VanDerWaalsContact C-N 3.34Å; Q88-F90 PolarHBondContact O-N 3.21Å; Q88-S91 PolarHBondContact O-N 2.83Å; Q88-S91 PolarHBondContact O-OG 2.89Å; Q88-S91 VanDerWaalsContact O-OG 3.1Å; Q88-Y92 HydrophobicContact CG-CD2 4Å; Q88-Y92 HydrophobicContact CG-CE2 3.38Å; Q88-Y92 PolarHBondContact NE2-OH 3.34Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.42Å; Q88-Y92 PolarHBondContact O-N 3.37Å |
| 89 | A | 88.9 | Confident | 75.6 | Confident | 54 Ų | 54 | 110.8 Ų | 110.8 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.9 | -40.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | K85 Y86 | K85-A89 WeakPolarHBondContact O-CB 3.45Å; K85-A89 PolarHBondContact O-N 2.61Å; Y86-A89 PolarHBondContact O-N 2.8Å; Y86-A89 VanDerWaalsContact O-N 3.09Å |
| 90 | F | 79.2 | Confident | 72.9 | Confident | 89 Ų | 89 | 108.7 Ų | 108.7 | 39% | 0.39 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.6 | -36.7 | 177.3 | -80.9 | -88.7 | 0 | 0 | 0 | 112.9 | Y86 Q88 Y92 Q93 H94 | Y86-F90 AromaticContact CD1-CD2 3.88Å; Y86-F90 HydrophobicContact CD1-CD2 3.88Å; Y86-F90 HydrophobicContact CD1-CE2 4.25Å; Y86-F90 HydrophobicContact CD2-CD2 4.2Å; Y86-F90 AromaticContact CD2-CE2 3.85Å; Y86-F90 HydrophobicContact CD2-CE2 3.85Å; Y86-F90 AromaticContact CE1-CD2 3.63Å; Y86-F90 HydrophobicContact CE1-CD2 3.63Å; Y86-F90 AromaticContact CE1-CE2 3.79Å; Y86-F90 HydrophobicContact CE1-CE2 3.79Å; Y86-F90 HydrophobicContact CE1-CG 4.34Å; Y86-F90 AromaticContact CE2-CD2 4Å; Y86-F90 HydrophobicContact CE2-CD2 4Å; Y86-F90 AromaticContact CE2-CE2 3.36Å; Y86-F90 HydrophobicContact CE2-CE2 3.36Å; Y86-F90 HydrophobicContact CE2-CZ 4.13Å; Y86-F90 HydrophobicContact CG-CD2 4.14Å; Y86-F90 HydrophobicContact CG-CE2 4.27Å; Y86-F90 AromaticContact CZ-CD2 3.69Å; Y86-F90 AromaticContact CZ-CE2 3.31Å; Y86-F90 AromaticContact CZ-CZ 3.91Å; Y86-F90 WeakPolarHBondContact O-CD2 3.24Å; Y86-F90 PolarHBondContact O-N 2.84Å; Q88-F90 VanDerWaalsContact C-N 3.34Å; Q88-F90 PolarHBondContact O-N 3.21Å; F90-Y92 VanDerWaalsContact C-N 3.35Å; F90-Y92 PolarHBondContact O-N 2.94Å; F90-Q93 PolarHBondContact O-N 2.98Å; F90-H94 PolarHBondContact O-CD2 2.67Å |
| 91 | S | 77 | Confident | 70.3 | Confident | 52 Ų | 52 | 111.9 Ų | 111.9 | 36% | 0.364 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.6 | -35.8 | 178.4 | 67.9 | 0 | 0 | 0 | 0 | 112.8 | H87 Q88 Q93 H94 H95 | H87-S91 WeakPolarHBondContact O-CB 3.39Å; H87-S91 PolarHBondContact O-N 2.88Å; H87-S91 PolarHBondContact O-OG 3.44Å; Q88-S91 PolarHBondContact O-N 2.83Å; Q88-S91 PolarHBondContact O-OG 2.89Å; Q88-S91 VanDerWaalsContact O-OG 3.1Å; S91-Q93 VanDerWaalsContact C-N 3.31Å; S91-Q93 PolarHBondContact O-N 3.41Å; S91-H94 PolarHBondContact O-N 3.21Å; S91-H95 PolarHBondContact O-CD2 2.7Å; S91-H95 VanDerWaalsContact O-CD2 3.26Å; S91-H95 PolarHBondContact O-N 3.04Å |
| 92 | Y | 64.8 | Low | 67.6 | Low | 147 Ų | 147 | 112 Ų | 112 | 58% | 0.576 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.6 | -30.8 | 173.8 | -68.3 | -48.8 | 0 | 0 | 0 | 113.3 | Q88 F90 H94 H95 A96 | Q88-Y92 HydrophobicContact CG-CD2 4Å; Q88-Y92 HydrophobicContact CG-CE2 3.38Å; Q88-Y92 PolarHBondContact NE2-OH 3.34Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.42Å; Q88-Y92 PolarHBondContact O-N 3.37Å; F90-Y92 VanDerWaalsContact C-N 3.35Å; F90-Y92 PolarHBondContact O-N 2.94Å; Y92-H94 VanDerWaalsContact C-N 3.28Å; Y92-H94 PolarHBondContact O-N 2.99Å; Y92-H95 PolarHBondContact O-N 3.13Å; Y92-A96 WeakPolarHBondContact O-CB 3.31Å; Y92-A96 PolarHBondContact O-N 2.6Å |
| 93 | Q | 59.9 | Low | 64.5 | Low | 144 Ų | 144 | 110.4 Ų | 110.4 | 67% | 0.673 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.8 | -29.3 | 176.2 | -71.4 | -175.3 | -11.5 | 0 | 0 | 113 | F90 S91 | F90-Q93 PolarHBondContact O-N 2.98Å; S91-Q93 VanDerWaalsContact C-N 3.31Å; S91-Q93 PolarHBondContact O-N 3.41Å |
| 94 | H | 53 | Low | 61.7 | Low | 150 Ų | 150 | 111.9 Ų | 111.9 | 69% | 0.694 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -86.3 | -10.1 | 178 | -70.6 | -73.4 | 0 | 0 | 0 | 114.5 | F90 S91 Y92 | F90-H94 PolarHBondContact O-CD2 2.67Å; S91-H94 PolarHBondContact O-N 3.21Å; Y92-H94 VanDerWaalsContact C-N 3.28Å; Y92-H94 PolarHBondContact O-N 2.99Å |
| 95 | H | 48.6 | Very low | 58.7 | Low | 152 Ų | 152 | 120.5 Ų | 120.5 | 70% | 0.704 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -116.5 | -5.2 | -177.2 | -66 | -48.4 | 0 | 0 | 0 | 114.9 | S91 Y92 A97 | S91-H95 PolarHBondContact O-CD2 2.7Å; S91-H95 VanDerWaalsContact O-CD2 3.26Å; S91-H95 PolarHBondContact O-N 3.04Å; Y92-H95 PolarHBondContact O-N 3.13Å; H95-A97 PolarHBondContact O-N 2.98Å |
| 96 | A | 42.4 | Very low | 56.1 | Low | 86 Ų | 86 | 122.2 Ų | 122.2 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | trans | -75.3 | 24.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y92 | Y92-A96 WeakPolarHBondContact O-CB 3.31Å; Y92-A96 PolarHBondContact O-N 2.6Å | ||
| 97 | A | 40.4 | Very low | 53.4 | Low | 72 Ų | 72 | 122.3 Ų | 122.3 | 60% | 0.595 | 68% | 0.676 | S | S | * | * | trans | -126.4 | 82.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | H95 F99 | H95-A97 PolarHBondContact O-N 2.98Å; A97-F99 PolarHBondContact O-N 3.01Å | ||
| 98 | P | 44.8 | Very low | 51 | Low | 109 Ų | 109 | 124.3 Ų | 124.3 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | trans | -70.7 | 109.7 | 173.1 | 29 | -32.5 | 0 | 0 | 0 | 110 | T100 | P98-T100 PolarHBondContact O-N 3.29Š| ||
| 99 | F | 41.1 | Very low | 48.3 | Very low | 202 Ų | 202 | 127.1 Ų | 127.1 | 89% | 0.886 | 70% | 0.699 | S | S | * | * | trans | -64.8 | 98.8 | 165.8 | -82.9 | -94.3 | 0 | 0 | 0 | 109.4 | A97 P101 | A97-F99 PolarHBondContact O-N 3.01Å; F99-P101 WeakPolarHBondContact O-CD 3.37Å | ||
| 100 | T | 41.1 | Very low | 45.8 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -91.8 | 101.3 | 169.7 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | P98 | P98-T100 PolarHBondContact O-N 3.29Š| ||
| 101 | P | 42.2 | Very low | 43.6 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -66.8 | 139.4 | 169.1 | 29.5 | -34.5 | 0 | 0 | 0 | 109.7 | F99 | F99-P101 WeakPolarHBondContact O-CD 3.37Š| ||
| 102 | A | 38.7 | Very low | 41.3 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | trans | -71 | 131.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 103 | A | 32.5 | Very low | 39.7 | Very low | 88 Ų | 88 | 133.6 Ų | 133.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -149.6 | 99.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 104 | S | 35.6 | Very low | 38.6 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 26.9 | 122.1 | 147.6 | 60.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 105 | R | 32.4 | Very low | 37.6 | Very low | 253 Ų | 253 | 128.8 Ų | 128.8 | 96% | 0.955 | 78% | 0.783 | S | S | * | * | -155.5 | 143.7 | 129.4 | -109.7 | 164.1 | -169.7 | -89.8 | -2 | 110.6 | |||||
| 106 | L | 39.7 | Very low | 36.8 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -108.6 | 148.9 | 178.8 | -72.6 | 166.8 | 0 | 0 | 0 | 110.1 | ||||
| 107 | N | 36.8 | Very low | 36.3 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 57 | 169.5 | 162.8 | -56.7 | 10.5 | 0 | 0 | 0 | 116.7 | ||||
| 108 | E | 40.5 | Very low | 36 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | cis | -156.1 | 157.6 | 12.7 | -121.2 | 122.3 | -127.2 | 0 | 0 | 106.7 | ||||
| 109 | E | 35.7 | Very low | 35.5 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | cis | -168.9 | 176.1 | -12.6 | -145.2 | -93.6 | 92.9 | 0 | 0 | 109.4 | ||||
| 110 | I | 35.2 | Very low | 34.9 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 57% | 0.574 | 80% | 0.799 | S | S | * | * | trans | 59.9 | 130.8 | 164.8 | 13.4 | -173.1 | 0 | 0 | 0 | 125 | ||||
| 111 | K | 33 | Very low | 34.4 | Very low | 201 Ų | 201 | 132.5 Ų | 132.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | 66.5 | 140.2 | 145.9 | -83.8 | 157.2 | -173.2 | 166.3 | 0 | 120 | ||||
| 112 | G | 29.3 | Very low | 34 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | cis | 151.6 | 159.5 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 113 | G | 30.7 | Very low | 33.7 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | 114.2 | 126.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 114 | A | 37.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | trans | -90.5 | 153.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 115 | G | 31.6 | Very low | 33.8 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -161.4 | 107 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 116 | D | 31 | Very low | 34.5 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -75.7 | 153.8 | 162.7 | 175.4 | 36.1 | 0 | 0 | 0 | 109.9 | ||||
| 117 | G | 32.1 | Very low | 34.3 | Very low | 71 Ų | 71 | 140.2 Ų | 140.2 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | 159.3 | 107.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 118 | T | 34.1 | Very low | 34.2 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -92.5 | 155.7 | 177.3 | -48 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 119 | Q | 34.1 | Very low | 33.8 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | 110.2 | 112.1 | 156.4 | -59.2 | -167.9 | -37.1 | 0 | 0 | 119.2 | ||||
| 120 | D | 28.7 | Very low | 33.5 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 82% | 0.823 | S | S | * | * | 48.7 | 111.7 | 129 | -52.3 | -11.1 | 0 | 0 | 0 | 121.8 | |||||
| 121 | T | 31.6 | Very low | 33.4 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | -143.2 | 137.3 | 122 | 45.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 122 | S | 32.6 | Very low | 33.6 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | -66.2 | 142.1 | 174.7 | 169 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 123 | L | 33.3 | Very low | 33.7 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -150.5 | 136.3 | 135.4 | -83.7 | -168.7 | 0 | 0 | 0 | 111.2 | ||||
| 124 | D | 34.4 | Very low | 34.1 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -67.3 | 144 | 176.9 | -77 | -72.4 | 0 | 0 | 0 | 114.3 | ||||
| 125 | K | 35.8 | Very low | 33.8 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | -158 | 139.2 | 142.3 | -116.6 | 163.6 | -171.8 | 174 | 0 | 113.1 | ||||
| 126 | Q | 46.3 | Very low | 34.3 | Very low | 194 Ų | 194 | 147 Ų | 147 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | -68.6 | 130.8 | 178.8 | -60.6 | 162 | -76.7 | 0 | 0 | 111.1 | ||||
| 127 | Q | 35.3 | Very low | 34.3 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -142.3 | 128.2 | 159.4 | -163.1 | 94.2 | 32.4 | 0 | 0 | 110.7 | ||||
| 128 | N | 35.8 | Very low | 34.3 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | trans | -45.7 | 128.3 | -178.2 | -50 | -29.6 | 0 | 0 | 0 | 114.1 | C130 | N128-C130 PolarHBondContact O-N 3.32Š| ||
| 129 | Q | 32.7 | Very low | 34.8 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -81.7 | 116.7 | 169.1 | -171.3 | 171 | 49.2 | 0 | 0 | 110.4 | V131 | Q129-V131 HydrophobicContact CG-CG2 4.33Š| ||
| 130 | C | 28.9 | Very low | 35.2 | Very low | 113 Ų | 113 | 145 Ų | 145 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | trans | -121.1 | 126 | 165.6 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | N128 | N128-C130 PolarHBondContact O-N 3.32Š| ||
| 131 | V | 32.6 | Very low | 36.2 | Very low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -137.8 | 131.5 | 168.6 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | Q129 | Q129-V131 HydrophobicContact CG-CG2 4.33Š| ||
| 132 | S | 36.7 | Very low | 36.7 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -81.7 | 154.6 | -174.9 | -48.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 133 | T | 31.1 | Very low | 37.5 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -130.6 | 123.1 | 135.5 | 31.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 134 | A | 39.2 | Very low | 38.3 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -115.1 | 145.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 135 | E | 32.2 | Very low | 39.6 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 94% | 0.944 | 77% | 0.768 | S | S | * | * | trans | -142.7 | 143 | 163.8 | -137.7 | 170.8 | -151 | 0 | 0 | 109.2 | ||||
| 136 | T | 42.1 | Very low | 41 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -115.2 | 137.4 | -160.8 | 43.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 137 | A | 31.1 | Very low | 41.9 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | trans | -133.5 | 94.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 138 | A | 32.4 | Very low | 43.6 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | 94.2 | 100.8 | 84.4 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 139 | V | 44.5 | Very low | 45.6 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | trans | -66.9 | 135.5 | -177.4 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 140 | N | 41.3 | Very low | 47.6 | Very low | 161 Ų | 161 | 117 Ų | 117 | 86% | 0.861 | 70% | 0.697 | S | S | * | * | trans | -130.4 | 130.4 | 148.6 | -84.5 | -70.7 | 0 | 0 | 0 | 108.1 | ||||
| 141 | S | 49.3 | Very low | 49.7 | Very low | 81 Ų | 81 | 115 Ų | 115 | 57% | 0.566 | 68% | 0.681 | S | S | * | * | trans | -79.6 | 139.2 | -171.1 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 142 | D | 43.1 | Very low | 51.7 | Low | 102 Ų | 102 | 111.3 Ų | 111.3 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | trans | -159.4 | 77.8 | 162.1 | -125.6 | -3.9 | 0 | 0 | 0 | 108.9 | T144 K145 | D142-T144 PolarHBondContact O-N 3.33Å; D142-K145 IonicContact OD2-NZ 3.5Å; D142-K145 PolarHBondContact OD2-NZ 3.41Å | ||
| 143 | H | 50.5 | Low | 53.3 | Low | 143 Ų | 143 | 112.3 Ų | 112.3 | 66% | 0.662 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 37.9 | -170.6 | -59.8 | -78.5 | 0 | 0 | 0 | 114.2 | ||
| 144 | T | 49.3 | Very low | 55 | Low | 87 Ų | 87 | 110.7 Ų | 110.7 | 53% | 0.534 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.3 | -12.5 | -172.4 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | D142 | D142-T144 PolarHBondContact O-N 3.33Š|
| 145 | K | 62.1 | Low | 56.4 | Low | 119 Ų | 119 | 116 Ų | 116 | 52% | 0.517 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -99 | -28 | -173.8 | -65.3 | 163.1 | -165.4 | 154.2 | 0 | 113.2 | D142 L149 | D142-K145 IonicContact OD2-NZ 3.5Å; D142-K145 PolarHBondContact OD2-NZ 3.41Å; K145-L149 WeakPolarHBondContact O-CB 3.43Å; K145-L149 VanDerWaalsContact O-CG 3.23Å; K145-L149 WeakPolarHBondContact O-CG 3.34Å; K145-L149 PolarHBondContact O-N 2.75Å |
| 146 | E | 64.4 | Low | 57.8 | Low | 131 Ų | 131 | 111.8 Ų | 111.8 | 61% | 0.612 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.1 | -41.2 | 176.6 | 62.1 | -169.4 | -156.7 | 0 | 0 | 112.1 | L149 V150 | E146-L149 PolarHBondContact O-N 3.45Å; E146-V150 WeakPolarHBondContact O-CG2 3.32Å; E146-V150 PolarHBondContact O-N 3.01Å |
| 147 | S | 64.8 | Low | 58.6 | Low | 65 Ų | 65 | 109.5 Ų | 109.5 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.4 | -39.7 | 175.7 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | V150 V151 | S147-V150 PolarHBondContact O-N 3.1Å; S147-V151 WeakPolarHBondContact O-CB 3.39Å; S147-V151 VanDerWaalsContact O-CG2 3.3Å; S147-V151 WeakPolarHBondContact O-CG2 3.26Å; S147-V151 PolarHBondContact O-N 2.76Å |
| 148 | D | 70.7 | Confident | 59 | Low | 111 Ų | 111 | 112.7 Ų | 112.7 | 59% | 0.594 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.9 | -39.9 | 174.7 | -167.3 | 47.8 | 0 | 0 | 0 | 111.7 | V151 A152 | D148-V151 PolarHBondContact O-N 2.85Å; D148-A152 VanDerWaalsContact O-CB 3.23Å; D148-A152 WeakPolarHBondContact O-CB 3.42Å; D148-A152 PolarHBondContact O-N 2.84Å |
| 149 | L | 78.3 | Confident | 59.4 | Low | 114 Ų | 114 | 117.1 Ų | 117.1 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.8 | -40.9 | 173.3 | -74.1 | 169.8 | 0 | 0 | 0 | 112.8 | K145 E146 A152 L153 | K145-L149 WeakPolarHBondContact O-CB 3.43Å; K145-L149 VanDerWaalsContact O-CG 3.23Å; K145-L149 WeakPolarHBondContact O-CG 3.34Å; K145-L149 PolarHBondContact O-N 2.75Å; E146-L149 PolarHBondContact O-N 3.45Å; L149-A152 PolarHBondContact O-N 2.89Å; L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 3.41Å |
| 150 | V | 75.4 | Confident | 59.6 | Low | 95 Ų | 95 | 120.1 Ų | 120.1 | 58% | 0.576 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.1 | -47 | 174 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | E146 S147 A152 L153 D154 | E146-V150 WeakPolarHBondContact O-CG2 3.32Å; E146-V150 PolarHBondContact O-N 3.01Å; S147-V150 PolarHBondContact O-N 3.1Å; V150-A152 VanDerWaalsContact C-N 3.32Å; V150-A152 PolarHBondContact O-N 3.26Å; V150-L153 PolarHBondContact O-N 3.17Å; V150-D154 WeakPolarHBondContact O-CB 3.42Å; V150-D154 PolarHBondContact O-N 2.88Å |
| 151 | V | 73.1 | Confident | 59.4 | Low | 71 Ų | 71 | 115.9 Ų | 115.9 | 43% | 0.43 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.5 | -34.4 | 177.2 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | S147 D148 R155 | S147-V151 WeakPolarHBondContact O-CB 3.39Å; S147-V151 VanDerWaalsContact O-CG2 3.3Å; S147-V151 WeakPolarHBondContact O-CG2 3.26Å; S147-V151 PolarHBondContact O-N 2.76Å; D148-V151 PolarHBondContact O-N 2.85Å; V151-R155 WeakPolarHBondContact O-CB 3.41Å; V151-R155 WeakPolarHBondContact O-CD 3.4Å; V151-R155 WeakPolarHBondContact O-CG 3.24Å; V151-R155 PolarHBondContact O-N 3.13Å; V151-R155 VanDerWaalsContact O-N 3.11Å |
| 152 | A | 74.4 | Confident | 59.2 | Low | 48 Ų | 48 | 122.1 Ų | 122.1 | 40% | 0.397 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.7 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D148 L149 V150 V156 | D148-A152 VanDerWaalsContact O-CB 3.23Å; D148-A152 WeakPolarHBondContact O-CB 3.42Å; D148-A152 PolarHBondContact O-N 2.84Å; L149-A152 PolarHBondContact O-N 2.89Å; V150-A152 VanDerWaalsContact C-N 3.32Å; V150-A152 PolarHBondContact O-N 3.26Å; A152-V156 WeakPolarHBondContact O-CG2 3.48Å; A152-V156 PolarHBondContact O-N 3.32Å |
| 153 | L | 69.8 | Low | 59.2 | Low | 121 Ų | 121 | 122.9 Ų | 122.9 | 63% | 0.634 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.7 | -42.5 | 175.4 | -71.9 | 169.6 | 0 | 0 | 0 | 111.8 | L149 V150 R155 V156 T157 | L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 3.41Å; V150-L153 PolarHBondContact O-N 3.17Å; L153-R155 VanDerWaalsContact C-N 3.25Å; L153-R155 PolarHBondContact O-N 3.12Å; L153-V156 CarbonylContact O-C 3.6Å; L153-V156 WeakPolarHBondContact O-CA 3.41Å; L153-V156 WeakPolarHBondContact O-CB 3.41Å; L153-V156 PolarHBondContact O-N 3.4Å; L153-T157 PolarHBondContact O-N 3.39Å; L153-T157 PolarHBondContact O-OG1 2.82Å |
| 154 | D | 66.8 | Low | 58.9 | Low | 118 Ų | 118 | 121.4 Ų | 121.4 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.3 | -30.6 | 179.6 | -147.2 | 35.5 | 0 | 0 | 0 | 111.9 | V150 V156 T157 | V150-D154 WeakPolarHBondContact O-CB 3.42Å; V150-D154 PolarHBondContact O-N 2.88Å; D154-V156 VanDerWaalsContact C-N 3.32Å; D154-T157 WeakPolarHBondContact O-CB 3.39Å; D154-T157 PolarHBondContact O-N 3.4Å |
| 155 | R | 68.3 | Low | 58.8 | Low | 205 Ų | 205 | 126.6 Ų | 126.6 | 77% | 0.774 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -18.2 | 169.7 | -73.8 | 169.2 | 178.4 | -127.2 | 1 | 114.7 | V151 L153 | V151-R155 WeakPolarHBondContact O-CB 3.41Å; V151-R155 WeakPolarHBondContact O-CD 3.4Å; V151-R155 WeakPolarHBondContact O-CG 3.24Å; V151-R155 PolarHBondContact O-N 3.13Å; V151-R155 VanDerWaalsContact O-N 3.11Å; L153-R155 VanDerWaalsContact C-N 3.25Å; L153-R155 PolarHBondContact O-N 3.12Å |
| 156 | V | 62 | Low | 57.8 | Low | 113 Ų | 113 | 128.7 Ų | 128.7 | 69% | 0.685 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -19.2 | 174.6 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | A152 L153 D154 L158 | A152-V156 WeakPolarHBondContact O-CG2 3.48Å; A152-V156 PolarHBondContact O-N 3.32Å; L153-V156 CarbonylContact O-C 3.6Å; L153-V156 WeakPolarHBondContact O-CA 3.41Å; L153-V156 WeakPolarHBondContact O-CB 3.41Å; L153-V156 PolarHBondContact O-N 3.4Å; D154-V156 VanDerWaalsContact C-N 3.32Å; V156-L158 PolarHBondContact O-N 2.94Å |
| 157 | T | 58.2 | Low | 57.1 | Low | 88 Ų | 88 | 128.7 Ų | 128.7 | 54% | 0.54 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -64.6 | 95.6 | 166.1 | -50.8 | 0 | 0 | 0 | 0 | 109.9 | L153 D154 F159 | L153-T157 PolarHBondContact O-N 3.39Å; L153-T157 PolarHBondContact O-OG1 2.82Å; D154-T157 WeakPolarHBondContact O-CB 3.39Å; D154-T157 PolarHBondContact O-N 3.4Å; T157-F159 PolarHBondContact O-N 3.44Å |
| 158 | L | 40.2 | Very low | 56.3 | Low | 167 Ų | 167 | 134.6 Ų | 134.6 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | trans | -63.4 | 103.7 | 177 | -70.8 | 174.7 | 0 | 0 | 0 | 110.6 | V156 E160 | V156-L158 PolarHBondContact O-N 2.94Å; L158-E160 PolarHBondContact O-N 2.73Å | ||
| 159 | F | 41.7 | Very low | 55.2 | Low | 183 Ų | 183 | 138.1 Ų | 138.1 | 80% | 0.803 | 71% | 0.707 | S | S | * | * | trans | -64.4 | 115 | 169.2 | -114.6 | -83.8 | 0 | 0 | 0 | 109.9 | T157 A161 | T157-F159 PolarHBondContact O-N 3.44Å; F159-A161 HydrophobicContact CB-CB 4.32Å; F159-A161 HydrophobicContact CD1-CB 4.24Å; F159-A161 PolarHBondContact O-N 3.12Å | ||
| 160 | E | 48.1 | Very low | 53.4 | Low | 200 Ų | 200 | 139.8 Ų | 139.8 | 94% | 0.935 | 72% | 0.716 | S | S | * | * | trans | -75.9 | 66.4 | 162.3 | -165.7 | 169.9 | 172 | 0 | 0 | 109.2 | L158 | L158-E160 PolarHBondContact O-N 2.73Š| ||
| 161 | A | 37.2 | Very low | 52.1 | Low | 72 Ų | 72 | 141.8 Ų | 141.8 | 60% | 0.595 | 72% | 0.724 | S | S | * | * | trans | -87.4 | 143.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F159 | F159-A161 HydrophobicContact CB-CB 4.32Å; F159-A161 HydrophobicContact CD1-CB 4.24Å; F159-A161 PolarHBondContact O-N 3.12Å | ||
| 162 | R | 44.8 | Very low | 51.1 | Low | 211 Ų | 211 | 143.3 Ų | 143.3 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | trans | -67.5 | 149.5 | -179.9 | -73.1 | -159.5 | -69 | 135.8 | -5 | 111.7 | D164 | R162-D164 PolarHBondContact O-N 3.42Š| ||
| 163 | P | 42.9 | Very low | 50.2 | Low | 119 Ų | 119 | 150.5 Ų | 150.5 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -82 | 18.6 | -161.9 | 35 | -39.5 | 0 | 0 | 0 | 115.8 | ||
| 164 | D | 43.7 | Very low | 49.1 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 60% | 0.599 | 75% | 0.751 | S | S | * | * | trans | -103.3 | 158 | -175.7 | -61 | -57.9 | 0 | 0 | 0 | 111.5 | R162 | R162-D164 PolarHBondContact O-N 3.42Š| ||
| 165 | E | 47.9 | Very low | 48.6 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 78.2 | -0.6 | 171 | -52.6 | -169.6 | 164.1 | 0 | 0 | 120.7 | ||
| 166 | L | 41.8 | Very low | 48 | Very low | 163 Ų | 163 | 148.7 Ų | 148.7 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -101.4 | 25.7 | 177.4 | -73.5 | -178 | 0 | 0 | 0 | 117.2 | ||||
| 167 | N | 48.7 | Very low | 47.9 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -103.9 | -12.6 | -172.1 | -88.8 | -54 | 0 | 0 | 0 | 117.9 | N171 | N167-N171 PolarHBondContact O-ND2 3.43Š|
| 168 | E | 47.8 | Very low | 48 | Very low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -93.1 | -22.2 | -168.2 | -66.5 | -152.7 | 127.6 | 0 | 0 | 116.7 | ||
| 169 | Q | 47.3 | Very low | 48.8 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -98.5 | -10 | -166.7 | -64.6 | -167.9 | 2.5 | 0 | 0 | 116.9 | ||
| 170 | L | 40.8 | Very low | 49.5 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -95 | -3.7 | -173.5 | -66.2 | 179.4 | 0 | 0 | 0 | 115.8 | S172 | L170-S172 PolarHBondContact O-N 2.69Š|
| 171 | N | 49.5 | Very low | 49.7 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 2.4 | -166.8 | -76.5 | -54.2 | 0 | 0 | 0 | 116.5 | N167 | N167-N171 PolarHBondContact O-ND2 3.43Š|
| 172 | S | 52 | Low | 50.8 | Low | 103 Ų | 103 | 152.6 Ų | 152.6 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -17.1 | -171.9 | 63.3 | 0 | 0 | 0 | 0 | 116.4 | L170 | L170-S172 PolarHBondContact O-N 2.69Š|
| 173 | K | 54.1 | Low | 51.6 | Low | 199 Ų | 199 | 148 Ų | 148 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -129.6 | 19.6 | -172.3 | -69.7 | -163.7 | 175.4 | -174.5 | 0 | 116.4 | ||
| 174 | A | 47.2 | Very low | 52.5 | Low | 55 Ų | 55 | 147.6 Ų | 147.6 | 46% | 0.455 | 74% | 0.737 | S | S | . | * | trans | -100.8 | 20.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 175 | K | 55.5 | Low | 53.3 | Low | 196 Ų | 196 | 147.1 Ų | 147.1 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -26.7 | -168.7 | -80.8 | -178.2 | 175.7 | 175.6 | 0 | 116.4 | ||
| 176 | D | 57.5 | Low | 54.4 | Low | 154 Ų | 154 | 145.2 Ų | 145.2 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 19.9 | -170.6 | -56.1 | -49.1 | 0 | 0 | 0 | 114.3 | Y178 | D176-Y178 PolarHBondContact O-N 2.99Š|
| 177 | N | 58.7 | Low | 56 | Low | 81 Ų | 81 | 143.1 Ų | 143.1 | 43% | 0.433 | 72% | 0.722 | S | S | . | * | trans | -80.5 | 96.3 | 176.7 | -77.2 | -55.7 | 0 | 0 | 0 | 111.5 | F179 L180 | N177-F179 PolarHBondContact O-N 3.44Å; N177-F179 VanDerWaalsContact O-N 3.07Å; N177-L180 HydrophobicContact CB-CB 3.85Å; N177-L180 HydrophobicContact CB-CD1 3.91Å; N177-L180 HydrophobicContact CB-CG 4.29Å; N177-L180 PolarHBondContact O-N 2.85Å | ||
| 178 | Y | 60.1 | Low | 57.6 | Low | 210 Ų | 210 | 140 Ų | 140 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -53.3 | -29.5 | 177.2 | -118.4 | -93.2 | 0 | 0 | 0 | 114.1 | D176 V181 | D176-Y178 PolarHBondContact O-N 2.99Å; Y178-V181 WeakPolarHBondContact O-CG2 3.33Å |
| 179 | F | 56.8 | Low | 59.2 | Low | 213 Ų | 213 | 138 Ų | 138 | 93% | 0.934 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -79.3 | -16.2 | 176.5 | -66.7 | -83 | 0 | 0 | 0 | 114.4 | N177 | N177-F179 PolarHBondContact O-N 3.44Å; N177-F179 VanDerWaalsContact O-N 3.07Å |
| 180 | L | 56.6 | Low | 61 | Low | 120 Ų | 120 | 136.3 Ų | 136.3 | 63% | 0.628 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -101.6 | 13.2 | 178.5 | -80.5 | 164.8 | 0 | 0 | 0 | 113.1 | N177 K182 | N177-L180 HydrophobicContact CB-CB 3.85Å; N177-L180 HydrophobicContact CB-CD1 3.91Å; N177-L180 HydrophobicContact CB-CG 4.29Å; N177-L180 PolarHBondContact O-N 2.85Å; L180-K182 PolarHBondContact O-N 3.42Å |
| 181 | V | 51.9 | Low | 63.2 | Low | 84 Ų | 84 | 132.7 Ų | 132.7 | 51% | 0.509 | 67% | 0.666 | S | S | . | * | trans | -61.4 | 97.9 | 167.3 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | Y178 Q183 | Y178-V181 WeakPolarHBondContact O-CG2 3.33Å; V181-Q183 VanDerWaalsContact C-N 3.26Å; V181-Q183 PolarHBondContact O-N 3.36Å | ||
| 182 | K | 61.4 | Low | 64.8 | Low | 198 Ų | 198 | 128.6 Ų | 128.6 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | trans | -61.7 | 88.1 | 173 | -69.5 | -174.2 | 180 | -179.2 | 0 | 109.2 | L180 | L180-K182 PolarHBondContact O-N 3.42Š| ||
| 183 | Q | 60.5 | Low | 66.4 | Low | 114 Ų | 114 | 126.8 Ų | 126.8 | 53% | 0.533 | 63% | 0.63 | S | S | . | * | trans | -53.6 | 124.2 | 174.1 | -66.4 | -78.3 | -65.2 | 0 | 0 | 108 | V181 A185 | V181-Q183 VanDerWaalsContact C-N 3.26Å; V181-Q183 PolarHBondContact O-N 3.36Å; Q183-A185 PolarHBondContact O-N 3.11Å | ||
| 184 | P | 62.4 | Low | 67.8 | Low | 110 Ų | 110 | 121.4 Ų | 121.4 | 71% | 0.714 | 61% | 0.611 | S | S | * | * | trans | -58.6 | 140.4 | 176.8 | 25.3 | -33.8 | 0 | 0 | 0 | 109.1 | K186 | P184-K186 PolarHBondContact O-N 3.05Š| ||
| 185 | A | 61.2 | Low | 69.5 | Low | 102 Ų | 102 | 121.2 Ų | 121.2 | 84% | 0.843 | 60% | 0.6 | S | S | * | * | trans | -49.4 | 105.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q183 K187 | Q183-A185 PolarHBondContact O-N 3.11Å; A185-K187 PolarHBondContact O-N 3.46Å; A185-K187 VanDerWaalsContact O-N 3.12Å | ||
| 186 | K | 70.1 | Confident | 70.6 | Confident | 156 Ų | 156 | 118.4 Ų | 118.4 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | trans | -68.9 | 114.3 | -175.4 | -69.6 | 179.3 | -179.6 | 171.4 | 0 | 108.1 | P184 | P184-K186 PolarHBondContact O-N 3.05Š| ||
| 187 | K | 76.7 | Confident | 71.2 | Confident | 119 Ų | 119 | 114.8 Ų | 114.8 | 52% | 0.517 | 57% | 0.572 | S | S | . | * | trans | -47 | 136.1 | 171.7 | -68.9 | 179.9 | 176.8 | 176.4 | 0 | 109 | A185 M191 T192 E195 | A185-K187 PolarHBondContact O-N 3.46Å; A185-K187 VanDerWaalsContact O-N 3.12Å; K187-M191 HydrophobicContact CB-CB 4.13Å; K187-T192 PolarHBondContact O-OG1 3.49Å; K187-E195 WeakPolarHBondContact CD-OE1 3.39Å; K187-E195 IonicContact NZ-OE1 2.94Å; K187-E195 PolarHBondContact NZ-OE1 2.96Å; K187-E195 IonicContact NZ-OE2 3.43Å | ||
| 188 | P | 82.2 | Confident | 71.8 | Confident | 67 Ų | 67 | 118.2 Ų | 118.2 | 44% | 0.435 | 59% | 0.585 | S | S | . | * | trans | -59 | 145.4 | -177.1 | 26.6 | -35.9 | 0 | 0 | 0 | 110 | Y190 M191 T192 | P188-Y190 HydrophobicContact CB-CD1 3.86Å; P188-Y190 HydrophobicContact CB-CE1 3.52Å; P188-Y190 HydrophobicContact CG-CD1 4.05Å; P188-Y190 HydrophobicContact CG-CE1 3.37Å; P188-Y190 PolarHBondContact O-N 3.33Å; P188-M191 HydrophobicContact CG-CG 4.28Å; P188-M191 WeakPolarHBondContact O-CB 3.35Å; P188-M191 PolarHBondContact O-N 3.47Å; P188-T192 PolarHBondContact O-N 3.3Å | ||
| 189 | H | 81.3 | Confident | 72.4 | Confident | 147 Ų | 147 | 117.7 Ų | 117.7 | 68% | 0.681 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -51.8 | -35.3 | -163.5 | -172.5 | 85.3 | 0 | 0 | 0 | 114.3 | M191 T192 V193 | H189-M191 PolarHBondContact O-N 2.8Å; H189-T192 WeakPolarHBondContact O-CB 3.37Å; H189-T192 PolarHBondContact O-N 2.93Å; H189-T192 VanDerWaalsContact O-N 3.15Å; H189-V193 WeakPolarHBondContact O-CG2 3.36Å; H189-V193 PolarHBondContact O-N 2.9Å |
| 190 | Y | 84.3 | Confident | 72.6 | Confident | 148 Ų | 148 | 110.9 Ų | 110.9 | 58% | 0.58 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.7 | -35.8 | 177.5 | 72.5 | -92 | 0 | 0 | 0 | 113.5 | P188 V193 L194 | P188-Y190 HydrophobicContact CB-CD1 3.86Å; P188-Y190 HydrophobicContact CB-CE1 3.52Å; P188-Y190 HydrophobicContact CG-CD1 4.05Å; P188-Y190 HydrophobicContact CG-CE1 3.37Å; P188-Y190 PolarHBondContact O-N 3.33Å; Y190-V193 PolarHBondContact O-N 3.44Å; Y190-L194 HydrophobicContact CD2-CD1 4.27Å; Y190-L194 WeakPolarHBondContact O-CB 3.2Å; Y190-L194 WeakPolarHBondContact O-CG 3.39Å; Y190-L194 PolarHBondContact O-N 3.27Å |
| 191 | M | 87.4 | Confident | 72.9 | Confident | 72 Ų | 72 | 109.7 Ų | 109.7 | 36% | 0.355 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.6 | -41.6 | 172 | -83 | -75.2 | 109.4 | 0 | 0 | 111 | K187 P188 H189 V193 L194 E195 | K187-M191 HydrophobicContact CB-CB 4.13Å; P188-M191 HydrophobicContact CG-CG 4.28Å; P188-M191 WeakPolarHBondContact O-CB 3.35Å; P188-M191 PolarHBondContact O-N 3.47Å; H189-M191 PolarHBondContact O-N 2.8Å; M191-V193 VanDerWaalsContact C-N 3.26Å; M191-V193 PolarHBondContact O-N 3.29Å; M191-L194 HydrophobicContact CE-CD1 3.67Å; M191-L194 PolarHBondContact O-N 2.61Å; M191-E195 PolarHBondContact O-N 2.99Å |
| 192 | T | 83.6 | Confident | 73.3 | Confident | 53 Ų | 53 | 108.7 Ų | 108.7 | 33% | 0.325 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.3 | -27.9 | 177.2 | -29.5 | 0 | 0 | 0 | 0 | 112.4 | K187 P188 H189 K196 | K187-T192 PolarHBondContact O-OG1 3.49Å; P188-T192 PolarHBondContact O-N 3.3Å; H189-T192 WeakPolarHBondContact O-CB 3.37Å; H189-T192 PolarHBondContact O-N 2.93Å; H189-T192 VanDerWaalsContact O-N 3.15Å; T192-K196 WeakPolarHBondContact O-CB 3.37Å; T192-K196 VanDerWaalsContact O-CD 3.31Å; T192-K196 WeakPolarHBondContact O-CD 3.26Å; T192-K196 WeakPolarHBondContact O-CG 3.38Å; T192-K196 PolarHBondContact O-N 3.06Å |
| 193 | V | 84.2 | Confident | 73.3 | Confident | 65 Ų | 65 | 104.8 Ų | 104.8 | 39% | 0.394 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.1 | -46.1 | 171 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | H189 Y190 M191 K196 T197 | H189-V193 WeakPolarHBondContact O-CG2 3.36Å; H189-V193 PolarHBondContact O-N 2.9Å; Y190-V193 PolarHBondContact O-N 3.44Å; M191-V193 VanDerWaalsContact C-N 3.26Å; M191-V193 PolarHBondContact O-N 3.29Å; V193-K196 WeakPolarHBondContact O-CB 3.4Å; V193-K196 PolarHBondContact O-N 3.45Å; V193-T197 PolarHBondContact O-N 3.46Å; V193-T197 PolarHBondContact O-OG1 3Å |
| 194 | L | 84.5 | Confident | 73.5 | Confident | 86 Ų | 86 | 109.4 Ų | 109.4 | 45% | 0.45 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.8 | -48.7 | 179.5 | -77.2 | 161.7 | 0 | 0 | 0 | 112.3 | Y190 M191 K196 T197 E198 | Y190-L194 HydrophobicContact CD2-CD1 4.27Å; Y190-L194 WeakPolarHBondContact O-CB 3.2Å; Y190-L194 WeakPolarHBondContact O-CG 3.39Å; Y190-L194 PolarHBondContact O-N 3.27Å; M191-L194 HydrophobicContact CE-CD1 3.67Å; M191-L194 PolarHBondContact O-N 2.61Å; L194-K196 PolarHBondContact O-N 2.66Å; L194-T197 WeakPolarHBondContact CA-OG1 3.46Å; L194-T197 PolarHBondContact O-N 3.37Å; L194-T197 PolarHBondContact O-OG1 2.87Å; L194-E198 PolarHBondContact O-N 3.07Å |
| 195 | E | 83.5 | Confident | 73.8 | Confident | 50 Ų | 50 | 113.1 Ų | 113.1 | 23% | 0.234 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -60.2 | -33 | 175.1 | -75.4 | -178.1 | -150 | 0 | 0 | 112.6 | K187 M191 R199 | K187-E195 WeakPolarHBondContact CD-OE1 3.39Å; K187-E195 IonicContact NZ-OE1 2.94Å; K187-E195 PolarHBondContact NZ-OE1 2.96Å; K187-E195 IonicContact NZ-OE2 3.43Å; M191-E195 PolarHBondContact O-N 2.99Å; E195-R199 WeakPolarHBondContact O-CB 3.31Å; E195-R199 WeakPolarHBondContact O-CD 3.34Å; E195-R199 WeakPolarHBondContact O-CG 3.47Å; E195-R199 PolarHBondContact O-N 2.97Å; E195-R199 VanDerWaalsContact O-N 3.1Å; E195-R199 IonicContact OE2-NH2 2.61Å; E195-R199 PolarHBondContact OE2-NH2 3.35Å |
| 196 | K | 78 | Confident | 74.1 | Confident | 138 Ų | 138 | 116.2 Ų | 116.2 | 60% | 0.6 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68 | -41.7 | 172.8 | -77.7 | 171.9 | -176.6 | -177.9 | 0 | 111.3 | T192 V193 L194 R199 S200 | T192-K196 WeakPolarHBondContact O-CB 3.37Å; T192-K196 VanDerWaalsContact O-CD 3.31Å; T192-K196 WeakPolarHBondContact O-CD 3.26Å; T192-K196 WeakPolarHBondContact O-CG 3.38Å; T192-K196 PolarHBondContact O-N 3.06Å; V193-K196 WeakPolarHBondContact O-CB 3.4Å; V193-K196 PolarHBondContact O-N 3.45Å; L194-K196 PolarHBondContact O-N 2.66Å; K196-R199 PolarHBondContact O-N 3.12Å; K196-S200 WeakPolarHBondContact O-CB 3.34Å; K196-S200 PolarHBondContact O-N 3.36Å; K196-S200 PolarHBondContact O-OG 2.94Å |
| 197 | T | 69.6 | Low | 74.5 | Confident | 78 Ų | 78 | 117.9 Ų | 117.9 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.6 | -34.6 | 178.5 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | V193 L194 S200 | V193-T197 PolarHBondContact O-N 3.46Å; V193-T197 PolarHBondContact O-OG1 3Å; L194-T197 WeakPolarHBondContact CA-OG1 3.46Å; L194-T197 PolarHBondContact O-N 3.37Å; L194-T197 PolarHBondContact O-OG1 2.87Å; T197-S200 WeakPolarHBondContact CA-OG 3.42Å; T197-S200 CarbonylContact O-C 3.54Å; T197-S200 VanDerWaalsContact O-O 3.14Å; T197-S200 PolarHBondContact O-OG 2.78Å; T197-S200 VanDerWaalsContact O-OG 3.04Å |
| 198 | E | 71.4 | Confident | 74.2 | Confident | 153 Ų | 153 | 120.6 Ų | 120.6 | 72% | 0.715 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.3 | -43.1 | 173.5 | -69.8 | -176.6 | 145 | 0 | 0 | 111.9 | L194 S200 | L194-E198 PolarHBondContact O-N 3.07Å; E198-S200 VanDerWaalsContact C-N 3.3Å; E198-S200 PolarHBondContact O-N 3.2Å |
| 199 | R | 72.2 | Confident | 74 | Confident | 199 Ų | 199 | 123.2 Ų | 123.2 | 75% | 0.751 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67 | -31.2 | 176.5 | -69.8 | 172 | -168 | -155 | 7.4 | 112.3 | E195 K196 A201 | E195-R199 WeakPolarHBondContact O-CB 3.31Å; E195-R199 WeakPolarHBondContact O-CD 3.34Å; E195-R199 WeakPolarHBondContact O-CG 3.47Å; E195-R199 PolarHBondContact O-N 2.97Å; E195-R199 VanDerWaalsContact O-N 3.1Å; E195-R199 IonicContact OE2-NH2 2.61Å; E195-R199 PolarHBondContact OE2-NH2 3.35Å; K196-R199 PolarHBondContact O-N 3.12Å; R199-A201 PolarHBondContact O-N 2.66Å |
| 200 | S | 61.4 | Low | 73.9 | Confident | 70 Ų | 70 | 120.5 Ų | 120.5 | 49% | 0.49 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -79.1 | 73.3 | 167.5 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | K196 T197 E198 A202 | K196-S200 WeakPolarHBondContact O-CB 3.34Å; K196-S200 PolarHBondContact O-N 3.36Å; K196-S200 PolarHBondContact O-OG 2.94Å; T197-S200 WeakPolarHBondContact CA-OG 3.42Å; T197-S200 CarbonylContact O-C 3.54Å; T197-S200 VanDerWaalsContact O-O 3.14Å; T197-S200 PolarHBondContact O-OG 2.78Å; T197-S200 VanDerWaalsContact O-OG 3.04Å; E198-S200 VanDerWaalsContact C-N 3.3Å; E198-S200 PolarHBondContact O-N 3.2Å; S200-A202 PolarHBondContact O-N 2.87Å |
| 201 | A | 62.8 | Low | 73.5 | Confident | 94 Ų | 94 | 121.5 Ų | 121.5 | 78% | 0.777 | 62% | 0.618 | S | S | * | * | trans | -65.2 | 74.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R199 | R199-A201 PolarHBondContact O-N 2.66Š| ||
| 202 | A | 61.2 | Low | 72.8 | Confident | 64 Ų | 64 | 124 Ų | 124 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | trans | -65.3 | 135.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S200 K204 | S200-A202 PolarHBondContact O-N 2.87Å; A202-K204 PolarHBondContact O-N 3.28Å | ||
| 203 | P | 61.8 | Low | 72.1 | Confident | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 66% | 0.655 | S | S | * | * | trans | -57.2 | 138.7 | 172 | 25.6 | -33.8 | 0 | 0 | 0 | 109.2 | K205 | P203-K205 PolarHBondContact O-N 2.87Š| ||
| 204 | K | 64.6 | Low | 71 | Confident | 211 Ų | 211 | 131.7 Ų | 131.7 | 92% | 0.917 | 67% | 0.671 | S | S | * | * | trans | -52.4 | 100.5 | -172.5 | -68.4 | 177 | -179.5 | 174 | 0 | 110.4 | A202 Q206 | A202-K204 PolarHBondContact O-N 3.28Å; K204-Q206 PolarHBondContact O-N 3.45Å | ||
| 205 | K | 67.7 | Low | 69.8 | Low | 188 Ų | 188 | 135.8 Ų | 135.8 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -57 | 131.8 | -177.6 | -67.4 | -175.7 | 179 | 180 | 0 | 109.3 | P203 K207 | P203-K205 PolarHBondContact O-N 2.87Å; K205-K207 PolarHBondContact O-N 3.37Å |
| 206 | Q | 68 | Low | 67.9 | Low | 167 Ų | 167 | 144.2 Ų | 144.2 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 132.7 | 176.2 | 178.7 | 173.4 | -24.8 | 0 | 0 | 109.6 | K204 F208 | K204-Q206 PolarHBondContact O-N 3.45Å; Q206-F208 PolarHBondContact O-N 2.86Å; Q206-F208 VanDerWaalsContact O-N 3.1Å |
| 207 | K | 77.3 | Confident | 66.2 | Low | 190 Ų | 190 | 145.7 Ų | 145.7 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 120.1 | -177.9 | -66.7 | -176.5 | 179.3 | -177.8 | 0 | 109.3 | K205 K209 | K205-K207 PolarHBondContact O-N 3.37Å; K207-K209 PolarHBondContact O-N 3.36Å |
| 208 | F | 71.1 | Confident | 65.5 | Low | 177 Ų | 177 | 149.6 Ų | 149.6 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 120.5 | 180 | 175.4 | -104.1 | 0 | 0 | 0 | 109.8 | Q206 P210 | Q206-F208 PolarHBondContact O-N 2.86Å; Q206-F208 VanDerWaalsContact O-N 3.1Å; F208-P210 HydrophobicContact CD1-CG 4.34Å; F208-P210 HydrophobicContact CE1-CB 4.36Å; F208-P210 HydrophobicContact CE1-CG 3.96Å |
| 209 | K | 78.5 | Confident | 64 | Low | 121 Ų | 121 | 145.7 Ų | 145.7 | 53% | 0.526 | 75% | 0.746 | S | S | . | * | trans | -101.8 | 115.3 | 171.1 | -72 | -177.8 | 175 | -176.4 | 0 | 107.5 | K207 Q212 | K207-K209 PolarHBondContact O-N 3.36Å; K209-Q212 HydrophobicContact CB-CB 4.37Å; K209-Q212 HydrophobicContact CB-CG 4.1Å; K209-Q212 VanDerWaalsContact CD-OE1 3.31Å; K209-Q212 PolarHBondContact O-N 2.87Å | ||
| 210 | P | 79.6 | Confident | 62.6 | Low | 91 Ų | 91 | 141.8 Ų | 141.8 | 59% | 0.591 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | 147.2 | 170.5 | -25.9 | 34.6 | 0 | 0 | 0 | 111.2 | F208 Q212 | F208-P210 HydrophobicContact CD1-CG 4.34Å; F208-P210 HydrophobicContact CE1-CB 4.36Å; F208-P210 HydrophobicContact CE1-CG 3.96Å; P210-Q212 PolarHBondContact O-N 3.35Å; P210-Q212 VanDerWaalsContact O-N 3.17Å |
| 211 | N | 75.3 | Confident | 62.1 | Low | 168 Ų | 168 | 144 Ų | 144 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.8 | 10.7 | 177 | -49.8 | -20.3 | 0 | 0 | 0 | 116.3 | ||
| 212 | Q | 72.3 | Confident | 61 | Low | 125 Ų | 125 | 145.6 Ų | 145.6 | 58% | 0.584 | 77% | 0.767 | S | S | * | * | trans | -99 | 107.8 | 166.1 | -65.2 | -160.3 | -26.3 | 0 | 0 | 110.6 | K209 P210 | K209-Q212 HydrophobicContact CB-CB 4.37Å; K209-Q212 HydrophobicContact CB-CG 4.1Å; K209-Q212 VanDerWaalsContact CD-OE1 3.31Å; K209-Q212 PolarHBondContact O-N 2.87Å; P210-Q212 PolarHBondContact O-N 3.35Å; P210-Q212 VanDerWaalsContact O-N 3.17Å | ||
| 213 | L | 68.6 | Low | 59.7 | Low | 165 Ų | 165 | 146.2 Ų | 146.2 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70 | 136.2 | 168.2 | -64.7 | 175.2 | 0 | 0 | 0 | 109.2 | Q215 | L213-Q215 PolarHBondContact O-N 3.45Š|
| 214 | P | 62.3 | Low | 58.8 | Low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 134.3 | 175.3 | 27.8 | -33.6 | 0 | 0 | 0 | 109.9 | R216 | P214-R216 PolarHBondContact O-N 3.22Š|
| 215 | Q | 58.5 | Low | 57.5 | Low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 126 | 172.6 | -74.9 | -177.7 | -68 | 0 | 0 | 109.3 | L213 | L213-Q215 PolarHBondContact O-N 3.45Š|
| 216 | R | 44.7 | Very low | 55.8 | Low | 227 Ų | 227 | 141 Ų | 141 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 125.9 | 166.7 | -64.9 | -145.4 | 179 | -157.5 | 2.5 | 108 | P214 | P214-R216 PolarHBondContact O-N 3.22Š|
| 217 | H | 41.4 | Very low | 54.6 | Low | 169 Ų | 169 | 138.6 Ų | 138.6 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 125.3 | 160.5 | -72.2 | -77.3 | 0 | 0 | 0 | 107.3 | G219 | H217-G219 PolarHBondContact O-N 3.23Å; H217-G219 VanDerWaalsContact O-N 3.09Å |
| 218 | D | 54.2 | Low | 52.5 | Low | 160 Ų | 160 | 132.7 Ų | 132.7 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -74.8 | 102.3 | -176.2 | -66 | -59.4 | 0 | 0 | 0 | 110.7 | ||||
| 219 | G | 41.5 | Very low | 51.3 | Low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -134.1 | 84.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | H217 | H217-G219 PolarHBondContact O-N 3.23Å; H217-G219 VanDerWaalsContact O-N 3.09Å | ||
| 220 | S | 41.9 | Very low | 49.4 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -64.9 | 172.9 | 177.8 | -60.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 221 | P | 51.8 | Low | 48 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -135.4 | 178.4 | -0.5 | 38 | -19.8 | 0 | 0 | 0 | 116.2 | ||||
| 222 | S | 39 | Very low | 46.5 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | 73 | 149.7 | 149.6 | -153.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 223 | G | 34.3 | Very low | 45.5 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 136.9 | -1.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 224 | S | 42 | Very low | 44.5 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -128.4 | 103.8 | -174.7 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 225 | L | 36.7 | Very low | 44.4 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | -134.6 | 90.3 | 164.3 | -74.2 | 178.4 | 0 | 0 | 0 | 109.8 | S227 | L225-S227 PolarHBondContact O-N 3.13Š| ||
| 226 | S | 33.1 | Very low | 44.7 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -86.3 | 97.8 | 162 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 227 | S | 42.3 | Very low | 45.3 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -74.3 | 139.1 | 156.8 | -64.8 | 0 | 0 | 0 | 0 | 108.5 | L225 | L225-S227 PolarHBondContact O-N 3.13Š| ||
| 228 | G | 33.3 | Very low | 47.1 | Very low | 67 Ų | 67 | 114.6 Ų | 114.6 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | cis | -170.5 | 162.1 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S230 | G228-S230 PolarHBondContact O-N 2.97Š| ||
| 229 | R | 47.2 | Very low | 48.2 | Very low | 224 Ų | 224 | 110.8 Ų | 110.8 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -71 | 113.6 | 179.4 | -68.5 | 162.8 | 59.2 | -113.7 | 1.6 | 110.7 | S231 | R229-S231 PolarHBondContact O-N 3.01Š| ||
| 230 | S | 37.6 | Very low | 50.2 | Low | 107 Ų | 107 | 113.5 Ų | 113.5 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -74.6 | 113.4 | 152.5 | 45.3 | 0 | 0 | 0 | 0 | 108.6 | G228 E232 | G228-S230 PolarHBondContact O-N 2.97Å; S230-E232 VanDerWaalsContact C-N 3.33Å; S230-E232 PolarHBondContact O-N 3.33Å | ||
| 231 | S | 50.3 | Low | 52.3 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | trans | -86.5 | 74.9 | 175.5 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | R229 | R229-S231 PolarHBondContact O-N 3.01Š| ||
| 232 | E | 42.8 | Very low | 53.7 | Low | 173 Ų | 173 | 111.6 Ų | 111.6 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | trans | -103.8 | 116.4 | -178.2 | -163.9 | 163 | -144.2 | 0 | 0 | 111.1 | S230 G234 | S230-E232 VanDerWaalsContact C-N 3.33Å; S230-E232 PolarHBondContact O-N 3.33Å; E232-G234 PolarHBondContact O-N 2.87Å | ||
| 233 | T | 52.1 | Low | 55.9 | Low | 147 Ų | 147 | 112.4 Ų | 112.4 | 90% | 0.902 | 69% | 0.688 | S | S | * | * | trans | -75.8 | 68.2 | -176.6 | -50.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 234 | G | 46.8 | Very low | 58.2 | Low | 62 Ų | 62 | 114.5 Ų | 114.5 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | trans | -79.3 | 129.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E232 | E232-G234 PolarHBondContact O-N 2.87Š| ||
| 235 | S | 61.5 | Low | 60.2 | Low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 66% | 0.664 | S | S | * | * | trans | -49.2 | 152.3 | 161 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | L237 | S235-L237 PolarHBondContact O-N 3.42Š| ||
| 236 | P | 64.3 | Low | 62.4 | Low | 119 Ų | 119 | 112 Ų | 112 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | trans | -61.7 | 98 | -178.1 | 25.5 | -34.8 | 0 | 0 | 0 | 111 | S238 | P236-S238 PolarHBondContact O-N 2.83Š| ||
| 237 | L | 58.1 | Low | 64.5 | Low | 61 Ų | 61 | 114.1 Ų | 114.1 | 32% | 0.319 | 64% | 0.635 | S | S | . | * | trans | -47.8 | 136.6 | -177.8 | -65.2 | 173 | 0 | 0 | 0 | 111.3 | S235 D241 R242 | S235-L237 PolarHBondContact O-N 3.42Å; L237-D241 HydrophobicContact CB-CB 4.44Å; L237-R242 HydrophobicContact CB-CG 3.9Å; L237-R242 PolarHBondContact O-NH1 3.46Å | ||
| 238 | S | 78.8 | Confident | 66.1 | Low | 56 Ų | 56 | 114.8 Ų | 114.8 | 39% | 0.392 | 62% | 0.623 | S | S | . | * | trans | -55.8 | 153.2 | 178.5 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | P236 L240 D241 R242 | P236-S238 PolarHBondContact O-N 2.83Å; S238-L240 PolarHBondContact O-N 2.9Å; S238-L240 VanDerWaalsContact O-N 3.11Å; S238-L240 PolarHBondContact OG-N 2.9Å; S238-D241 VanDerWaalsContact CB-CG 3.47Å; S238-D241 WeakPolarHBondContact CB-OD1 3.26Å; S238-D241 VanDerWaalsContact CB-OD2 3.27Å; S238-D241 WeakPolarHBondContact CB-OD2 3.39Å; S238-D241 PolarHBondContact N-OD2 3.4Å; S238-D241 PolarHBondContact O-N 3.42Å; S238-D241 VanDerWaalsContact O-N 3.1Å; S238-R242 PolarHBondContact O-N 3.5Å | ||
| 239 | A | 78 | Confident | 68.2 | Low | 80 Ų | 80 | 117.2 Ų | 117.2 | 66% | 0.661 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -56.9 | -26.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K243 | A239-K243 VanDerWaalsContact O-CB 3.24Å; A239-K243 WeakPolarHBondContact O-CB 3.3Å; A239-K243 PolarHBondContact O-N 2.82Å |
| 240 | L | 83.6 | Confident | 69.4 | Low | 130 Ų | 130 | 111.6 Ų | 111.6 | 68% | 0.681 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.5 | -55 | 170.2 | -68.9 | 173.4 | 0 | 0 | 0 | 112 | S238 R242 K243 E244 | S238-L240 PolarHBondContact O-N 2.9Å; S238-L240 VanDerWaalsContact O-N 3.11Å; S238-L240 PolarHBondContact OG-N 2.9Å; L240-R242 PolarHBondContact O-N 3.25Å; L240-R242 VanDerWaalsContact O-N 3.17Å; L240-K243 CarbonylContact O-C 3.54Å; L240-K243 PolarHBondContact O-N 3.39Å; L240-E244 PolarHBondContact O-N 2.87Å |
| 241 | D | 83.9 | Confident | 70.9 | Confident | 61 Ų | 61 | 109.8 Ų | 109.8 | 33% | 0.326 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.2 | -27.2 | -177 | -23.4 | -33.8 | 0 | 0 | 0 | 113.4 | L237 S238 R245 | L237-D241 HydrophobicContact CB-CB 4.44Å; S238-D241 VanDerWaalsContact CB-CG 3.47Å; S238-D241 WeakPolarHBondContact CB-OD1 3.26Å; S238-D241 VanDerWaalsContact CB-OD2 3.27Å; S238-D241 WeakPolarHBondContact CB-OD2 3.39Å; S238-D241 PolarHBondContact N-OD2 3.4Å; S238-D241 PolarHBondContact O-N 3.42Å; S238-D241 VanDerWaalsContact O-N 3.1Å; D241-R245 VanDerWaalsContact CB-NH1 3.26Å; D241-R245 WeakPolarHBondContact O-CG 3.35Å; D241-R245 PolarHBondContact O-N 2.92Å; D241-R245 PolarHBondContact O-NH1 3.38Å |
| 242 | R | 83.2 | Confident | 72 | Confident | 131 Ų | 131 | 111.2 Ų | 111.2 | 49% | 0.494 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.2 | -55.7 | 168.7 | -74 | -178.2 | 163.1 | 116.9 | -12.8 | 110.5 | L237 S238 L240 E244 R245 D246 | L237-R242 HydrophobicContact CB-CG 3.9Å; L237-R242 PolarHBondContact O-NH1 3.46Å; S238-R242 PolarHBondContact O-N 3.5Å; L240-R242 PolarHBondContact O-N 3.25Å; L240-R242 VanDerWaalsContact O-N 3.17Å; R242-E244 PolarHBondContact O-N 3.34Å; R242-R245 WeakPolarHBondContact O-CB 3.32Å; R242-R245 PolarHBondContact O-N 3.12Å; R242-D246 VanDerWaalsContact O-CG 3.27Å; R242-D246 PolarHBondContact O-N 3.49Å |
| 243 | K | 83.6 | Confident | 73.4 | Confident | 146 Ų | 146 | 108.6 Ų | 108.6 | 64% | 0.635 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61 | -27.9 | -178.8 | -166.1 | 172.6 | -172.8 | 177.2 | 0 | 113.4 | A239 L240 R247 | A239-K243 VanDerWaalsContact O-CB 3.24Å; A239-K243 WeakPolarHBondContact O-CB 3.3Å; A239-K243 PolarHBondContact O-N 2.82Å; L240-K243 CarbonylContact O-C 3.54Å; L240-K243 PolarHBondContact O-N 3.39Å; K243-R247 WeakPolarHBondContact O-CB 3.49Å; K243-R247 PolarHBondContact O-N 2.99Å |
| 244 | E | 84.1 | Confident | 74.7 | Confident | 121 Ų | 121 | 104.9 Ų | 104.9 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.4 | -43.5 | 172.6 | -175 | 171.8 | -146.7 | 0 | 0 | 112.5 | L240 R242 D246 R247 K248 | L240-E244 PolarHBondContact O-N 2.87Å; R242-E244 PolarHBondContact O-N 3.34Å; E244-D246 VanDerWaalsContact C-N 3.33Å; E244-R247 WeakPolarHBondContact O-CB 3.34Å; E244-R247 PolarHBondContact O-N 3.45Å; E244-K248 WeakPolarHBondContact O-CG 3.36Å; E244-K248 PolarHBondContact O-N 2.73Å |
| 245 | R | 83.4 | Confident | 75.7 | Confident | 132 Ų | 132 | 107 Ų | 107 | 50% | 0.498 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.5 | -44 | 171.8 | -75.5 | 176.2 | -178.1 | 80.4 | -8.2 | 111.3 | D241 R242 R247 K248 H249 | D241-R245 VanDerWaalsContact CB-NH1 3.26Å; D241-R245 WeakPolarHBondContact O-CG 3.35Å; D241-R245 PolarHBondContact O-N 2.92Å; D241-R245 PolarHBondContact O-NH1 3.38Å; R242-R245 WeakPolarHBondContact O-CB 3.32Å; R242-R245 PolarHBondContact O-N 3.12Å; R245-R247 VanDerWaalsContact C-N 3.31Å; R245-R247 PolarHBondContact O-N 3.39Å; R245-K248 PolarHBondContact O-N 3.02Å; R245-H249 WeakPolarHBondContact O-CB 3.25Å; R245-H249 PolarHBondContact O-N 3.06Å |
| 246 | D | 81.7 | Confident | 76.3 | Confident | 96 Ų | 96 | 106.2 Ų | 106.2 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.1 | -40.9 | 176.2 | -62.9 | -26 | 0 | 0 | 0 | 111.1 | R242 E244 H249 L250 | R242-D246 VanDerWaalsContact O-CG 3.27Å; R242-D246 PolarHBondContact O-N 3.49Å; E244-D246 VanDerWaalsContact C-N 3.33Å; D246-H249 PolarHBondContact O-N 3.42Å; D246-L250 WeakPolarHBondContact O-CB 3.43Å; D246-L250 WeakPolarHBondContact O-CD1 3.48Å; D246-L250 VanDerWaalsContact O-CG 3.27Å; D246-L250 WeakPolarHBondContact O-CG 3.44Å; D246-L250 PolarHBondContact O-N 3.03Å |
| 247 | R | 77.9 | Confident | 76.8 | Confident | 167 Ų | 167 | 106.7 Ų | 106.7 | 63% | 0.63 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.1 | -43.9 | 173.2 | -116 | 169.5 | 56 | 104.2 | -2 | 112.8 | K243 E244 R245 L250 D251 | K243-R247 WeakPolarHBondContact O-CB 3.49Å; K243-R247 PolarHBondContact O-N 2.99Å; E244-R247 WeakPolarHBondContact O-CB 3.34Å; E244-R247 PolarHBondContact O-N 3.45Å; R245-R247 VanDerWaalsContact C-N 3.31Å; R245-R247 PolarHBondContact O-N 3.39Å; R247-L250 PolarHBondContact O-N 2.87Å; R247-D251 PolarHBondContact O-N 3.45Å |
| 248 | K | 77.1 | Confident | 77.8 | Confident | 131 Ų | 131 | 111.1 Ų | 111.1 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.6 | -47 | 176 | -71.9 | 177.2 | 60 | 176.5 | 0 | 111.3 | E244 R245 L250 D251 D252 | E244-K248 WeakPolarHBondContact O-CG 3.36Å; E244-K248 PolarHBondContact O-N 2.73Å; R245-K248 PolarHBondContact O-N 3.02Å; K248-L250 VanDerWaalsContact C-N 3.28Å; K248-L250 PolarHBondContact O-N 3.21Å; K248-D251 CarbonylContact O-C 3.56Å; K248-D251 WeakPolarHBondContact O-CA 3.41Å; K248-D251 WeakPolarHBondContact O-CB 3.47Å; K248-D251 PolarHBondContact O-N 2.95Å; K248-D252 WeakPolarHBondContact O-CB 3.48Å; K248-D252 PolarHBondContact O-N 2.95Å; K248-D252 VanDerWaalsContact O-OD2 3.13Å |
| 249 | H | 76.8 | Confident | 78.1 | Confident | 119 Ų | 119 | 113.4 Ų | 113.4 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.4 | -35.4 | 177 | -176.4 | -109.7 | 0 | 0 | 0 | 112.5 | R245 D246 I253 | R245-H249 WeakPolarHBondContact O-CB 3.25Å; R245-H249 PolarHBondContact O-N 3.06Å; D246-H249 PolarHBondContact O-N 3.42Å; H249-I253 WeakPolarHBondContact CE1-CD1 3.45Å; H249-I253 WeakPolarHBondContact O-CB 3.49Å; H249-I253 WeakPolarHBondContact O-CG1 3.36Å; H249-I253 PolarHBondContact O-N 3.35Å |
| 250 | L | 72.1 | Confident | 78.3 | Confident | 106 Ų | 106 | 114.9 Ų | 114.9 | 56% | 0.555 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.4 | -45.8 | 169.7 | -76.9 | 162.2 | 0 | 0 | 0 | 112 | D246 R247 K248 D252 T254 | D246-L250 WeakPolarHBondContact O-CB 3.43Å; D246-L250 WeakPolarHBondContact O-CD1 3.48Å; D246-L250 VanDerWaalsContact O-CG 3.27Å; D246-L250 WeakPolarHBondContact O-CG 3.44Å; D246-L250 PolarHBondContact O-N 3.03Å; R247-L250 PolarHBondContact O-N 2.87Å; K248-L250 VanDerWaalsContact C-N 3.28Å; K248-L250 PolarHBondContact O-N 3.21Å; L250-D252 VanDerWaalsContact C-N 3.32Å; L250-D252 PolarHBondContact O-N 3.5Å; L250-T254 WeakPolarHBondContact O-CB 3.34Å; L250-T254 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-OG1 3.42Å |
| 251 | D | 69.2 | Low | 78.5 | Confident | 68 Ų | 68 | 116.5 Ų | 116.5 | 36% | 0.364 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.6 | -36.5 | 175.3 | -85.4 | 16 | 0 | 0 | 0 | 112.7 | R247 K248 K257 | R247-D251 PolarHBondContact O-N 3.45Å; K248-D251 CarbonylContact O-C 3.56Å; K248-D251 WeakPolarHBondContact O-CA 3.41Å; K248-D251 WeakPolarHBondContact O-CB 3.47Å; K248-D251 PolarHBondContact O-N 2.95Å; D251-K257 HydrophobicContact CB-CD 4.22Å; D251-K257 IonicContact OD2-NZ 2.69Å; D251-K257 PolarHBondContact OD2-NZ 2.89Å |
| 252 | D | 73.9 | Confident | 78.8 | Confident | 130 Ų | 130 | 121.8 Ų | 121.8 | 70% | 0.695 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.4 | -34.7 | -177.9 | -64.4 | -31.8 | 0 | 0 | 0 | 112.3 | K248 L250 | K248-D252 WeakPolarHBondContact O-CB 3.48Å; K248-D252 PolarHBondContact O-N 2.95Å; K248-D252 VanDerWaalsContact O-OD2 3.13Å; L250-D252 VanDerWaalsContact C-N 3.32Å; L250-D252 PolarHBondContact O-N 3.5Å |
| 253 | I | 72.4 | Confident | 79.1 | Confident | 117 Ų | 117 | 123 Ų | 123 | 60% | 0.6 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.4 | -30.7 | 174.2 | -72.2 | 177.6 | 0 | 0 | 0 | 111.8 | H249 A255 | H249-I253 WeakPolarHBondContact CE1-CD1 3.45Å; H249-I253 WeakPolarHBondContact O-CB 3.49Å; H249-I253 WeakPolarHBondContact O-CG1 3.36Å; H249-I253 PolarHBondContact O-N 3.35Å; I253-A255 PolarHBondContact O-N 2.85Å |
| 254 | T | 77.8 | Confident | 79.3 | Confident | 69 Ų | 69 | 120 Ų | 120 | 42% | 0.423 | 63% | 0.631 | S | S | . | * | trans | -80.9 | 83.3 | -176.6 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | L250 A256 K257 | L250-T254 WeakPolarHBondContact O-CB 3.34Å; L250-T254 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-OG1 3.42Å; T254-A256 HydrophobicContact CG2-CB 4.04Å; T254-A256 PolarHBondContact O-N 3.44Å; T254-K257 PolarHBondContact O-N 2.86Å | ||
| 255 | A | 68 | Low | 79.6 | Confident | 108 Ų | 108 | 119.6 Ų | 119.6 | 89% | 0.893 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I253 K257 | I253-A255 PolarHBondContact O-N 2.85Å; A255-K257 VanDerWaalsContact C-N 3.3Å |
| 256 | A | 74.4 | Confident | 79.9 | Confident | 82 Ų | 82 | 118.4 Ų | 118.4 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 5.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T254 L258 | T254-A256 HydrophobicContact CG2-CB 4.04Å; T254-A256 PolarHBondContact O-N 3.44Å; A256-L258 PolarHBondContact O-N 3.23Å; A256-L258 VanDerWaalsContact O-N 3.15Å |
| 257 | K | 75.6 | Confident | 80.3 | Confident | 129 Ų | 129 | 120.5 Ų | 120.5 | 56% | 0.561 | 66% | 0.664 | S | S | * | * | trans | -68.7 | 107 | 172 | -172.3 | 168.4 | 178.2 | 176.5 | 0 | 110 | D251 T254 A255 | D251-K257 HydrophobicContact CB-CD 4.22Å; D251-K257 IonicContact OD2-NZ 2.69Å; D251-K257 PolarHBondContact OD2-NZ 2.89Å; T254-K257 PolarHBondContact O-N 2.86Å; A255-K257 VanDerWaalsContact C-N 3.3Å | ||
| 258 | L | 78.2 | Confident | 81.1 | Confident | 154 Ų | 154 | 121.1 Ų | 121.1 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 145.3 | -179.1 | -64 | 176.1 | 0 | 0 | 0 | 111.6 | A256 | A256-L258 PolarHBondContact O-N 3.23Å; A256-L258 VanDerWaalsContact O-N 3.15Å |
| 259 | P | 84.3 | Confident | 82 | Confident | 105 Ų | 105 | 118.8 Ų | 118.8 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 147.8 | 171.1 | -25 | 34.5 | 0 | 0 | 0 | 112.1 | L261 | P259-L261 PolarHBondContact O-N 2.88Š|
| 260 | P | 83.6 | Confident | 82.9 | Confident | 111 Ų | 111 | 115.6 Ų | 115.6 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 131.5 | 174.3 | -25.5 | 35.1 | 0 | 0 | 0 | 112 | H262 | P260-H262 PolarHBondContact O-CD2 3.26Å; P260-H262 PolarHBondContact O-N 3.14Å; P260-H262 VanDerWaalsContact O-N 3.13Å |
| 261 | L | 87.1 | Confident | 84.1 | Confident | 163 Ų | 163 | 118 Ų | 118 | 85% | 0.853 | 68% | 0.676 | S | S | * | * | trans | -68.4 | 109.4 | 174.7 | -85 | 161.3 | 0 | 0 | 0 | 109.9 | P259 H263 | P259-L261 PolarHBondContact O-N 2.88Å; L261-H263 PolarHBondContact O-N 2.8Å | ||
| 262 | H | 89.7 | Confident | 85.4 | Confident | 172 Ų | 172 | 122 Ų | 122 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -68 | -14.7 | 178.1 | -75.3 | -88.5 | 0 | 0 | 0 | 114.1 | P260 | P260-H262 PolarHBondContact O-CD2 3.26Å; P260-H262 PolarHBondContact O-N 3.14Å; P260-H262 VanDerWaalsContact O-N 3.13Å |
| 263 | H | 90.5 | Very high | 86.5 | Confident | 158 Ų | 158 | 120.8 Ų | 120.8 | 73% | 0.731 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -131.4 | 146.1 | -176.1 | -55.6 | -36.6 | 0 | 0 | 0 | 109.9 | L261 | L261-H263 PolarHBondContact O-N 2.8Š|
| 264 | S | 87 | Confident | 87.7 | Confident | 82 Ų | 82 | 117.3 Ų | 117.3 | 57% | 0.573 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 153.1 | 171.3 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 265 | P | 90.4 | Very high | 88.6 | Confident | 112 Ų | 112 | 116.3 Ų | 116.3 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 157.3 | 167.6 | 27.3 | -35.8 | 0 | 0 | 0 | 111 | Q267 | P265-Q267 PolarHBondContact O-N 3.48Š|
| 266 | A | 90.4 | Very high | 90.1 | Very high | 107 Ų | 107 | 113.2 Ų | 113.2 | 88% | 0.884 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -55 | 126 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 267 | Q | 90.5 | Very high | 91.1 | Very high | 140 Ų | 140 | 113.9 Ų | 113.9 | 65% | 0.654 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 138.9 | 177.1 | -64.4 | 178.8 | -3.9 | 0 | 0 | 109.4 | P265 | P265-Q267 PolarHBondContact O-N 3.48Š|
| 268 | L | 94.8 | Very high | 92.2 | Very high | 180 Ų | 180 | 111.8 Ų | 111.8 | 94% | 0.942 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 122.7 | 169.1 | -60.9 | 178.8 | 0 | 0 | 0 | 108 | ||
| 269 | L | 94.6 | Very high | 93.1 | Very high | 83 Ų | 83 | 111.8 Ų | 111.8 | 44% | 0.435 | 62% | 0.621 | S | S | . | * | trans | -113.6 | 149.9 | 177.4 | -61.5 | 177.9 | 0 | 0 | 0 | 109.8 | E273 L277 | L269-E273 HydrophobicContact CB-CB 4.28Å; L269-E273 HydrophobicContact CD2-CB 4.44Å; L269-L277 HydrophobicContact CD1-CD2 4.33Å | ||
| 270 | S | 97.6 | Very high | 93.8 | Very high | 52 Ų | 52 | 111.3 Ų | 111.3 | 36% | 0.364 | 61% | 0.61 | S | S | . | * | trans | -69.7 | 166.7 | 166.4 | 67.7 | 0 | 0 | 0 | 0 | 112 | E272 E273 S274 | S270-E272 PolarHBondContact O-N 2.92Å; S270-E273 WeakPolarHBondContact CB-OE2 3.44Å; S270-E273 PolarHBondContact N-OE2 2.85Å; S270-E273 PolarHBondContact O-N 3.4Å; S270-E273 WeakPolarHBondContact OG-CB 3.38Å; S270-E273 VanDerWaalsContact OG-CD 3.3Å; S270-E273 VanDerWaalsContact OG-CG 3.28Å; S270-E273 WeakPolarHBondContact OG-CG 3.34Å; S270-E273 PolarHBondContact OG-N 3.29Å; S270-E273 PolarHBondContact OG-OE2 3.15Å; S270-S274 WeakPolarHBondContact O-CB 3.37Å; S270-S274 PolarHBondContact O-N 3.35Å; S270-S274 PolarHBondContact O-OG 3.34Å | ||
| 271 | L | 96.2 | Very high | 94.5 | Very high | 155 Ų | 155 | 112.1 Ų | 112.1 | 81% | 0.812 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.8 | -30.6 | 174.7 | -62.4 | 178.4 | 0 | 0 | 0 | 112.1 | S274 A275 | L271-S274 WeakPolarHBondContact CA-OG 3.43Å; L271-S274 PolarHBondContact O-OG 3.27Å; L271-A275 VanDerWaalsContact O-CB 3.26Å; L271-A275 WeakPolarHBondContact O-CB 3.24Å; L271-A275 PolarHBondContact O-N 2.92Å; L271-A275 VanDerWaalsContact O-N 3.12Å |
| 272 | E | 97.1 | Very high | 95 | Very high | 153 Ų | 153 | 107.3 Ų | 107.3 | 72% | 0.715 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.7 | -46.7 | 176.6 | -175.7 | 170.4 | -171.8 | 0 | 0 | 111.9 | S270 A275 A276 | S270-E272 PolarHBondContact O-N 2.92Å; E272-A275 PolarHBondContact O-N 3.09Å; E272-A276 WeakPolarHBondContact O-CB 3.38Å; E272-A276 PolarHBondContact O-N 3.43Å |
| 273 | E | 97.3 | Very high | 95.4 | Very high | 105 Ų | 105 | 105.6 Ų | 105.6 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.5 | -43.9 | 178 | -71.9 | 162.2 | 125.9 | 0 | 0 | 111.7 | L269 S270 A276 L277 | L269-E273 HydrophobicContact CB-CB 4.28Å; L269-E273 HydrophobicContact CD2-CB 4.44Å; S270-E273 WeakPolarHBondContact CB-OE2 3.44Å; S270-E273 PolarHBondContact N-OE2 2.85Å; S270-E273 PolarHBondContact O-N 3.4Å; S270-E273 WeakPolarHBondContact OG-CB 3.38Å; S270-E273 VanDerWaalsContact OG-CD 3.3Å; S270-E273 VanDerWaalsContact OG-CG 3.28Å; S270-E273 WeakPolarHBondContact OG-CG 3.34Å; S270-E273 PolarHBondContact OG-N 3.29Å; S270-E273 PolarHBondContact OG-OE2 3.15Å; E273-A276 WeakPolarHBondContact O-CB 3.45Å; E273-A276 PolarHBondContact O-N 3.36Å; E273-L277 WeakPolarHBondContact O-CB 3.47Å; E273-L277 PolarHBondContact O-N 3.11Å |
| 274 | S | 96.8 | Very high | 95.8 | Very high | 44 Ų | 44 | 103.7 Ų | 103.7 | 31% | 0.308 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.1 | -41.1 | 176.3 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | S270 L271 A276 L277 V278 | S270-S274 WeakPolarHBondContact O-CB 3.37Å; S270-S274 PolarHBondContact O-N 3.35Å; S270-S274 PolarHBondContact O-OG 3.34Å; L271-S274 WeakPolarHBondContact CA-OG 3.43Å; L271-S274 PolarHBondContact O-OG 3.27Å; S274-A276 VanDerWaalsContact C-N 3.31Å; S274-A276 PolarHBondContact O-N 3.24Å; S274-L277 PolarHBondContact O-N 3.33Å; S274-V278 WeakPolarHBondContact O-CG2 3.4Å; S274-V278 PolarHBondContact O-N 2.85Å; S274-V278 VanDerWaalsContact O-N 3.12Å |
| 275 | A | 97.6 | Very high | 96.3 | Very high | 48 Ų | 48 | 105.8 Ų | 105.8 | 40% | 0.397 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.1 | -32.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L271 E272 R279 | L271-A275 VanDerWaalsContact O-CB 3.26Å; L271-A275 WeakPolarHBondContact O-CB 3.24Å; L271-A275 PolarHBondContact O-N 2.92Å; L271-A275 VanDerWaalsContact O-N 3.12Å; E272-A275 PolarHBondContact O-N 3.09Å; A275-R279 WeakPolarHBondContact O-CG 3.33Å; A275-R279 PolarHBondContact O-N 3.41Å; A275-R279 PolarHBondContact O-NE 2.87Å |
| 276 | A | 97.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 106.5 Ų | 106.5 | 35% | 0.347 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.1 | -45.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E272 E273 S274 V278 R279 E280 | E272-A276 WeakPolarHBondContact O-CB 3.38Å; E272-A276 PolarHBondContact O-N 3.43Å; E273-A276 WeakPolarHBondContact O-CB 3.45Å; E273-A276 PolarHBondContact O-N 3.36Å; S274-A276 VanDerWaalsContact C-N 3.31Å; S274-A276 PolarHBondContact O-N 3.24Å; A276-V278 VanDerWaalsContact C-N 3.34Å; A276-V278 PolarHBondContact O-N 2.98Å; A276-R279 VanDerWaalsContact CA-NH2 3.35Å; A276-R279 WeakPolarHBondContact O-CB 3.46Å; A276-R279 PolarHBondContact O-N 3.07Å; A276-R279 VanDerWaalsContact O-N 3.13Å; A276-E280 PolarHBondContact O-N 3.33Å |
| 277 | L | 96.7 | Very high | 97.1 | Very high | 96 Ų | 96 | 105.7 Ų | 105.7 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 178.9 | -167.7 | 76.8 | 0 | 0 | 0 | 111.7 | L269 E273 S274 E280 Q281 | L269-L277 HydrophobicContact CD1-CD2 4.33Å; E273-L277 WeakPolarHBondContact O-CB 3.47Å; E273-L277 PolarHBondContact O-N 3.11Å; S274-L277 PolarHBondContact O-N 3.33Å; L277-E280 PolarHBondContact O-N 2.96Å; L277-Q281 WeakPolarHBondContact O-CB 3.4Å; L277-Q281 PolarHBondContact O-N 2.96Å |
| 278 | V | 97.8 | Very high | 97.5 | Very high | 86 Ų | 86 | 104.8 Ų | 104.8 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | S274 A276 E280 Q281 T282 | S274-V278 WeakPolarHBondContact O-CG2 3.4Å; S274-V278 PolarHBondContact O-N 2.85Å; S274-V278 VanDerWaalsContact O-N 3.12Å; A276-V278 VanDerWaalsContact C-N 3.34Å; A276-V278 PolarHBondContact O-N 2.98Å; V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E280 PolarHBondContact O-N 2.93Å; V278-Q281 PolarHBondContact O-N 3.24Å; V278-T282 WeakPolarHBondContact O-CG2 3.24Å; V278-T282 PolarHBondContact O-N 3.21Å; V278-T282 PolarHBondContact O-OG1 2.89Å; V278-T282 VanDerWaalsContact O-OG1 3.13Å |
| 279 | R | 98.3 | Very high | 97.6 | Very high | 153 Ų | 153 | 102.3 Ų | 102.3 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -35.8 | 175.9 | -75.4 | 174.9 | -74.5 | 158.7 | -4.3 | 112.6 | A275 A276 T282 K283 | A275-R279 WeakPolarHBondContact O-CG 3.33Å; A275-R279 PolarHBondContact O-N 3.41Å; A275-R279 PolarHBondContact O-NE 2.87Å; A276-R279 VanDerWaalsContact CA-NH2 3.35Å; A276-R279 WeakPolarHBondContact O-CB 3.46Å; A276-R279 PolarHBondContact O-N 3.07Å; A276-R279 VanDerWaalsContact O-N 3.13Å; R279-T282 PolarHBondContact O-OG1 3.11Å; R279-K283 WeakPolarHBondContact O-CB 3.23Å; R279-K283 PolarHBondContact O-N 3.06Å |
| 280 | E | 98.1 | Very high | 97.8 | Very high | 96 Ų | 96 | 101.1 Ų | 101.1 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.3 | -41 | 175.1 | -162.2 | -166.7 | 156.4 | 0 | 0 | 111.6 | A276 L277 V278 K283 K284 | A276-E280 PolarHBondContact O-N 3.33Å; L277-E280 PolarHBondContact O-N 2.96Å; V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E280 PolarHBondContact O-N 2.93Å; E280-K283 PolarHBondContact O-N 3.33Å; E280-K284 WeakPolarHBondContact O-CG 3.44Å; E280-K284 PolarHBondContact O-N 3.32Å; E280-K284 WeakPolarHBondContact OE1-CE 3.42Å; E280-K284 IonicContact OE1-NZ 3.84Å; E280-K284 PolarHBondContact OE1-NZ 3Å |
| 281 | Q | 98.2 | Very high | 97.8 | Very high | 127 Ų | 127 | 104.8 Ų | 104.8 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.3 | -45.3 | 179.2 | -174.3 | 177 | -0 | 0 | 0 | 112.1 | L277 V278 K284 Q285 | L277-Q281 WeakPolarHBondContact O-CB 3.4Å; L277-Q281 PolarHBondContact O-N 2.96Å; V278-Q281 PolarHBondContact O-N 3.24Å; Q281-K284 PolarHBondContact O-N 3.32Å; Q281-Q285 PolarHBondContact O-N 2.9Å |
| 282 | T | 98.1 | Very high | 97.9 | Very high | 62 Ų | 62 | 101.6 Ų | 101.6 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | V278 R279 K284 Q285 Q286 | V278-T282 WeakPolarHBondContact O-CG2 3.24Å; V278-T282 PolarHBondContact O-N 3.21Å; V278-T282 PolarHBondContact O-OG1 2.89Å; V278-T282 VanDerWaalsContact O-OG1 3.13Å; R279-T282 PolarHBondContact O-OG1 3.11Å; T282-K284 PolarHBondContact O-N 2.96Å; T282-Q285 PolarHBondContact O-N 2.74Å; T282-Q286 WeakPolarHBondContact O-CB 3.48Å; T282-Q286 VanDerWaalsContact O-CG 3.32Å; T282-Q286 WeakPolarHBondContact O-CG 3.43Å; T282-Q286 PolarHBondContact O-N 3.47Å |
| 283 | K | 98.5 | Very high | 97.8 | Very high | 136 Ų | 136 | 96.4 Ų | 96.4 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.9 | -46.2 | 172.6 | -177.2 | -179.9 | 176.5 | -177.5 | 0 | 112 | R279 E280 Q285 Q286 E287 | R279-K283 WeakPolarHBondContact O-CB 3.23Å; R279-K283 PolarHBondContact O-N 3.06Å; E280-K283 PolarHBondContact O-N 3.33Å; K283-Q285 VanDerWaalsContact C-N 3.33Å; K283-Q285 PolarHBondContact O-N 2.74Å; K283-Q286 PolarHBondContact O-N 3.27Å; K283-E287 WeakPolarHBondContact O-CB 3.38Å; K283-E287 PolarHBondContact O-N 2.88Å |
| 284 | K | 98.4 | Very high | 97.7 | Very high | 118 Ų | 118 | 94.1 Ų | 94.1 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 176.3 | -77.2 | 174.5 | -178.3 | 167.9 | 0 | 112.5 | E280 Q281 T282 L288 | E280-K284 WeakPolarHBondContact O-CG 3.44Å; E280-K284 PolarHBondContact O-N 3.32Å; E280-K284 WeakPolarHBondContact OE1-CE 3.42Å; E280-K284 IonicContact OE1-NZ 3.84Å; E280-K284 PolarHBondContact OE1-NZ 3Å; Q281-K284 PolarHBondContact O-N 3.32Å; T282-K284 PolarHBondContact O-N 2.96Å; K284-L288 WeakPolarHBondContact O-CB 3.19Å; K284-L288 PolarHBondContact O-N 3.31Å |
| 285 | Q | 98.4 | Very high | 97.7 | Very high | 126 Ų | 126 | 98.1 Ų | 98.1 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -46.5 | 175.9 | -176.3 | 177.9 | -3.5 | 0 | 0 | 111.6 | Q281 T282 K283 E287 L288 Q289 | Q281-Q285 PolarHBondContact O-N 2.9Å; T282-Q285 PolarHBondContact O-N 2.74Å; K283-Q285 VanDerWaalsContact C-N 3.33Å; K283-Q285 PolarHBondContact O-N 2.74Å; Q285-E287 PolarHBondContact O-N 3.41Å; Q285-L288 PolarHBondContact O-N 3.4Å; Q285-Q289 WeakPolarHBondContact O-CB 3.38Å; Q285-Q289 PolarHBondContact O-N 2.81Å |
| 286 | Q | 98.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 102.5 Ų | 102.5 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.7 | -43.1 | 175.3 | -72.2 | 170.7 | -9 | 0 | 0 | 111.7 | T282 K283 Q289 A290 | T282-Q286 WeakPolarHBondContact O-CB 3.48Å; T282-Q286 VanDerWaalsContact O-CG 3.32Å; T282-Q286 WeakPolarHBondContact O-CG 3.43Å; T282-Q286 PolarHBondContact O-N 3.47Å; K283-Q286 PolarHBondContact O-N 3.27Å; Q286-Q289 PolarHBondContact O-N 3.45Å; Q286-A290 VanDerWaalsContact O-CB 3.26Å; Q286-A290 WeakPolarHBondContact O-CB 3.23Å; Q286-A290 PolarHBondContact O-N 2.95Å |
| 287 | E | 98.3 | Very high | 97.1 | Very high | 91 Ų | 91 | 106 Ų | 106 | 43% | 0.425 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 177 | -169.4 | -168.2 | 133.9 | 0 | 0 | 112 | K283 Q285 A290 K291 | K283-E287 WeakPolarHBondContact O-CB 3.38Å; K283-E287 PolarHBondContact O-N 2.88Å; Q285-E287 PolarHBondContact O-N 3.41Å; E287-A290 PolarHBondContact O-N 2.89Å; E287-K291 HydrophobicContact CG-CD 4.34Å; E287-K291 WeakPolarHBondContact O-CB 3.3Å; E287-K291 VanDerWaalsContact O-CG 3.3Å; E287-K291 WeakPolarHBondContact O-CG 3.46Å; E287-K291 PolarHBondContact O-N 3.37Å; E287-K291 WeakPolarHBondContact OE1-CE 3.39Å; E287-K291 IonicContact OE1-NZ 2.75Å; E287-K291 PolarHBondContact OE1-NZ 3.43Å |
| 288 | L | 98.4 | Very high | 96.6 | Very high | 120 Ų | 120 | 104.4 Ų | 104.4 | 63% | 0.628 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.7 | -39.6 | 177.5 | -171.7 | 147.2 | 0 | 0 | 0 | 111.7 | K284 Q285 K291 L292 | K284-L288 WeakPolarHBondContact O-CB 3.19Å; K284-L288 PolarHBondContact O-N 3.31Å; Q285-L288 PolarHBondContact O-N 3.4Å; L288-K291 PolarHBondContact O-N 3Å; L288-L292 WeakPolarHBondContact O-CB 3.41Å; L288-L292 PolarHBondContact O-N 2.89Å |
| 289 | Q | 97.9 | Very high | 96.1 | Very high | 128 Ų | 128 | 106.1 Ų | 106.1 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -44.1 | 172.5 | -178.7 | 176.3 | -8.2 | 0 | 0 | 111.5 | Q285 Q286 L292 A293 | Q285-Q289 WeakPolarHBondContact O-CB 3.38Å; Q285-Q289 PolarHBondContact O-N 2.81Å; Q286-Q289 PolarHBondContact O-N 3.45Å; Q289-L292 PolarHBondContact O-N 3.48Å; Q289-A293 WeakPolarHBondContact O-CB 3.42Å; Q289-A293 PolarHBondContact O-N 3.09Å |
| 290 | A | 97.8 | Very high | 95 | Very high | 59 Ų | 59 | 100.5 Ų | 100.5 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q286 E287 A293 A294 | Q286-A290 VanDerWaalsContact O-CB 3.26Å; Q286-A290 WeakPolarHBondContact O-CB 3.23Å; Q286-A290 PolarHBondContact O-N 2.95Å; E287-A290 PolarHBondContact O-N 2.89Å; A290-A293 PolarHBondContact O-N 2.8Å; A290-A294 VanDerWaalsContact O-CB 3.25Å; A290-A294 WeakPolarHBondContact O-CB 3.41Å; A290-A294 PolarHBondContact O-N 2.66Å |
| 291 | K | 97.8 | Very high | 93.3 | Very high | 129 Ų | 129 | 102.8 Ų | 102.8 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -44.8 | 173 | -79.5 | 169 | 170.7 | 173 | 0 | 112.1 | E287 L288 A294 Q295 | E287-K291 HydrophobicContact CG-CD 4.34Å; E287-K291 WeakPolarHBondContact O-CB 3.3Å; E287-K291 VanDerWaalsContact O-CG 3.3Å; E287-K291 WeakPolarHBondContact O-CG 3.46Å; E287-K291 PolarHBondContact O-N 3.37Å; E287-K291 WeakPolarHBondContact OE1-CE 3.39Å; E287-K291 IonicContact OE1-NZ 2.75Å; E287-K291 PolarHBondContact OE1-NZ 3.43Å; L288-K291 PolarHBondContact O-N 3Å; K291-A294 PolarHBondContact O-N 2.81Å; K291-Q295 WeakPolarHBondContact O-CB 3.23Å; K291-Q295 PolarHBondContact O-N 3.24Å |
| 292 | L | 97.7 | Very high | 91.6 | Very high | 87 Ų | 87 | 104.9 Ų | 104.9 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 177.3 | -172 | 155.4 | 0 | 0 | 0 | 111.7 | L288 Q289 Q295 K296 | L288-L292 WeakPolarHBondContact O-CB 3.41Å; L288-L292 PolarHBondContact O-N 2.89Å; Q289-L292 PolarHBondContact O-N 3.48Å; L292-Q295 PolarHBondContact O-N 2.87Å; L292-K296 HydrophobicContact CD2-CD 3.94Å; L292-K296 HydrophobicContact CD2-CG 4.43Å; L292-K296 WeakPolarHBondContact O-CG 3.33Å; L292-K296 PolarHBondContact O-N 3.06Å |
| 293 | A | 96.1 | Very high | 89.9 | Confident | 44 Ų | 44 | 108.1 Ų | 108.1 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -48 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q289 A290 Q295 K296 L297 | Q289-A293 WeakPolarHBondContact O-CB 3.42Å; Q289-A293 PolarHBondContact O-N 3.09Å; A290-A293 PolarHBondContact O-N 2.8Å; A293-Q295 VanDerWaalsContact C-N 3.33Å; A293-Q295 PolarHBondContact O-N 2.8Å; A293-K296 PolarHBondContact O-N 2.99Å; A293-L297 WeakPolarHBondContact O-CG 3.3Å; A293-L297 PolarHBondContact O-N 3.23Å |
| 294 | A | 95.9 | Very high | 88.5 | Confident | 58 Ų | 58 | 106.9 Ų | 106.9 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.5 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A290 K291 L297 S298 | A290-A294 VanDerWaalsContact O-CB 3.25Å; A290-A294 WeakPolarHBondContact O-CB 3.41Å; A290-A294 PolarHBondContact O-N 2.66Å; K291-A294 PolarHBondContact O-N 2.81Å; A294-L297 PolarHBondContact O-N 2.86Å; A294-S298 WeakPolarHBondContact O-CB 3.36Å; A294-S298 PolarHBondContact O-N 3.23Å; A294-S298 PolarHBondContact O-OG 2.92Å |
| 295 | Q | 95.4 | Very high | 87.1 | Confident | 127 Ų | 127 | 109.4 Ų | 109.4 | 59% | 0.593 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.4 | -52.7 | 172.4 | -179.2 | -179.9 | -17.9 | 0 | 0 | 110.9 | K291 L292 A293 L297 S298 E299 | K291-Q295 WeakPolarHBondContact O-CB 3.23Å; K291-Q295 PolarHBondContact O-N 3.24Å; L292-Q295 PolarHBondContact O-N 2.87Å; A293-Q295 VanDerWaalsContact C-N 3.33Å; A293-Q295 PolarHBondContact O-N 2.8Å; Q295-L297 VanDerWaalsContact C-N 3.33Å; Q295-L297 PolarHBondContact O-N 3.48Å; Q295-S298 CarbonylContact O-C 3.59Å; Q295-S298 PolarHBondContact O-N 3.28Å; Q295-S298 VanDerWaalsContact O-N 3.12Å; Q295-S298 PolarHBondContact O-OG 3.27Å; Q295-E299 PolarHBondContact O-N 3.42Å |
| 296 | K | 93.6 | Very high | 85.8 | Confident | 140 Ų | 140 | 106.3 Ų | 106.3 | 61% | 0.609 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.8 | -40.2 | 178.1 | -76 | -175.3 | 174.4 | -175.5 | 0 | 112.9 | L292 A293 E299 G300 | L292-K296 HydrophobicContact CD2-CD 3.94Å; L292-K296 HydrophobicContact CD2-CG 4.43Å; L292-K296 WeakPolarHBondContact O-CG 3.33Å; L292-K296 PolarHBondContact O-N 3.06Å; A293-K296 PolarHBondContact O-N 2.99Å; K296-E299 PolarHBondContact O-N 3.1Å; K296-G300 PolarHBondContact O-N 3.17Å |
| 297 | L | 88.9 | Confident | 84.6 | Confident | 116 Ų | 116 | 105.6 Ų | 105.6 | 61% | 0.607 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.5 | -41.5 | 174.1 | -69.3 | 175.4 | 0 | 0 | 0 | 111.4 | A293 A294 Q295 E299 G300 L301 | A293-L297 WeakPolarHBondContact O-CG 3.3Å; A293-L297 PolarHBondContact O-N 3.23Å; A294-L297 PolarHBondContact O-N 2.86Å; Q295-L297 VanDerWaalsContact C-N 3.33Å; Q295-L297 PolarHBondContact O-N 3.48Å; L297-E299 PolarHBondContact O-N 3.46Å; L297-G300 PolarHBondContact O-N 3.43Å; L297-L301 WeakPolarHBondContact O-CB 3.26Å; L297-L301 VanDerWaalsContact O-CD1 3.24Å; L297-L301 WeakPolarHBondContact O-CD1 3.37Å; L297-L301 PolarHBondContact O-N 3.34Å |
| 298 | S | 87.3 | Confident | 83.3 | Confident | 63 Ų | 63 | 110.6 Ų | 110.6 | 44% | 0.441 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.2 | -22.7 | 176.1 | 78.5 | 0 | 0 | 0 | 0 | 113.9 | A294 Q295 K302 | A294-S298 WeakPolarHBondContact O-CB 3.36Å; A294-S298 PolarHBondContact O-N 3.23Å; A294-S298 PolarHBondContact O-OG 2.92Å; Q295-S298 CarbonylContact O-C 3.59Å; Q295-S298 PolarHBondContact O-N 3.28Å; Q295-S298 VanDerWaalsContact O-N 3.12Å; Q295-S298 PolarHBondContact O-OG 3.27Å; S298-K302 WeakPolarHBondContact O-CE 3.13Å |
| 299 | E | 86.1 | Confident | 82 | Confident | 122 Ų | 122 | 110.1 Ų | 110.1 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.7 | -46.5 | 171.5 | -170.1 | 172.9 | 176.5 | 0 | 0 | 110.3 | Q295 K296 L297 L301 K302 | Q295-E299 PolarHBondContact O-N 3.42Å; K296-E299 PolarHBondContact O-N 3.1Å; L297-E299 PolarHBondContact O-N 3.46Å; E299-L301 PolarHBondContact O-N 3.28Å; E299-K302 WeakPolarHBondContact O-CB 3.32Å; E299-K302 PolarHBondContact O-N 3.48Å |
| 300 | G | 75.3 | Confident | 80.7 | Confident | 35 Ų | 35 | 108.5 Ų | 108.5 | 36% | 0.361 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.5 | -39 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | K296 L297 K302 I303 | K296-G300 PolarHBondContact O-N 3.17Å; L297-G300 PolarHBondContact O-N 3.43Å; G300-K302 PolarHBondContact O-N 3.26Å; G300-K302 VanDerWaalsContact O-N 3.14Å; G300-I303 VanDerWaalsContact O-CB 3.24Å; G300-I303 WeakPolarHBondContact O-CB 3.24Å; G300-I303 WeakPolarHBondContact O-CG1 3.46Å; G300-I303 PolarHBondContact O-N 3.18Å |
| 301 | L | 64.4 | Low | 79.2 | Confident | 144 Ų | 144 | 112.5 Ų | 112.5 | 75% | 0.754 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -12.7 | 178.3 | -100.8 | 75 | 0 | 0 | 0 | 114.1 | L297 E299 | L297-L301 WeakPolarHBondContact O-CB 3.26Å; L297-L301 VanDerWaalsContact O-CD1 3.24Å; L297-L301 WeakPolarHBondContact O-CD1 3.37Å; L297-L301 PolarHBondContact O-N 3.34Å; E299-L301 PolarHBondContact O-N 3.28Å |
| 302 | K | 61.2 | Low | 77.5 | Confident | 170 Ų | 170 | 109.9 Ų | 109.9 | 74% | 0.739 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -16.1 | 170.1 | -64.3 | 169.1 | -171.6 | 173.1 | 0 | 112.1 | S298 E299 G300 S304 | S298-K302 WeakPolarHBondContact O-CE 3.13Å; E299-K302 WeakPolarHBondContact O-CB 3.32Å; E299-K302 PolarHBondContact O-N 3.48Å; G300-K302 PolarHBondContact O-N 3.26Å; G300-K302 VanDerWaalsContact O-N 3.14Å; K302-S304 VanDerWaalsContact C-N 3.33Å; K302-S304 PolarHBondContact O-N 3.04Å; K302-S304 VanDerWaalsContact O-N 3.09Å |
| 303 | I | 63.3 | Low | 76.1 | Confident | 130 Ų | 130 | 106.7 Ų | 106.7 | 67% | 0.667 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -78.9 | 87.6 | 169.1 | -50.6 | 173.6 | 0 | 0 | 0 | 107.1 | G300 M305 | G300-I303 VanDerWaalsContact O-CB 3.24Å; G300-I303 WeakPolarHBondContact O-CB 3.24Å; G300-I303 WeakPolarHBondContact O-CG1 3.46Å; G300-I303 PolarHBondContact O-N 3.18Å; I303-M305 VanDerWaalsContact C-N 3.35Å; I303-M305 PolarHBondContact O-N 3.39Å |
| 304 | S | 68.7 | Low | 74.3 | Confident | 110 Ų | 110 | 109.9 Ų | 109.9 | 77% | 0.769 | 64% | 0.636 | S | S | * | * | trans | -65.9 | 93.4 | 173.1 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | K302 G306 | K302-S304 VanDerWaalsContact C-N 3.33Å; K302-S304 PolarHBondContact O-N 3.04Å; K302-S304 VanDerWaalsContact O-N 3.09Å; S304-G306 PolarHBondContact O-N 3.31Å | ||
| 305 | M | 67.8 | Low | 72.4 | Confident | 171 Ų | 171 | 113.8 Ų | 113.8 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | trans | -64.4 | 114.6 | 159.9 | -63.9 | -158 | -53.2 | 0 | 0 | 107.1 | I303 | I303-M305 VanDerWaalsContact C-N 3.35Å; I303-M305 PolarHBondContact O-N 3.39Å | ||
| 306 | G | 72.7 | Confident | 70.7 | Confident | 61 Ų | 61 | 111.7 Ų | 111.7 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | trans | -55.9 | 148.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S304 Y308 | S304-G306 PolarHBondContact O-N 3.31Å; G306-Y308 PolarHBondContact O-N 3.43Å | ||
| 307 | S | 71.8 | Confident | 69 | Low | 112 Ų | 112 | 109.8 Ų | 109.8 | 78% | 0.783 | 65% | 0.651 | S | S | * | * | trans | -62.7 | 94.4 | 179.6 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | T309 | S307-T309 PolarHBondContact O-N 2.83Š| ||
| 308 | Y | 71 | Confident | 67.6 | Low | 196 Ų | 196 | 112.7 Ų | 112.7 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | trans | -72.8 | 81.2 | 171.1 | -174.5 | -103.6 | 0 | 0 | 0 | 108.9 | G306 P310 | G306-Y308 PolarHBondContact O-N 3.43Å; Y308-P310 HydrophobicContact CD1-CB 4.47Å; Y308-P310 HydrophobicContact CE1-CB 3.8Å; Y308-P310 VanDerWaalsContact O-CD 3.24Å; Y308-P310 WeakPolarHBondContact O-CD 3.23Å | ||
| 309 | T | 71.3 | Confident | 66.4 | Low | 110 Ų | 110 | 120.6 Ų | 120.6 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | trans | -61.5 | 113.4 | 148.7 | 47.6 | 0 | 0 | 0 | 0 | 106.2 | S307 D311 | S307-T309 PolarHBondContact O-N 2.83Å; T309-D311 PolarHBondContact O-N 3.18Å | ||
| 310 | P | 70.9 | Confident | 65.2 | Low | 94 Ų | 94 | 122.2 Ų | 122.2 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | trans | -59.2 | 116.5 | 166.7 | 25.8 | -31.9 | 0 | 0 | 0 | 106.5 | Y308 G312 | Y308-P310 HydrophobicContact CD1-CB 4.47Å; Y308-P310 HydrophobicContact CE1-CB 3.8Å; Y308-P310 VanDerWaalsContact O-CD 3.24Å; Y308-P310 WeakPolarHBondContact O-CD 3.23Å; P310-G312 PolarHBondContact O-N 2.98Å | ||
| 311 | D | 66.4 | Low | 64.6 | Low | 144 Ų | 144 | 126.1 Ų | 126.1 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | -58.4 | 137.4 | 180 | -179.3 | 30 | 0 | 0 | 0 | 109.4 | T309 G313 | T309-D311 PolarHBondContact O-N 3.18Å; D311-G313 PolarHBondContact O-N 2.8Å | ||
| 312 | G | 62.1 | Low | 64.3 | Low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 69% | 0.692 | S | S | * | * | trans | -71.8 | 26.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P310 | P310-G312 PolarHBondContact O-N 2.98Š| ||
| 313 | G | 67.4 | Low | 64.5 | Low | 20 Ų | 20 | 124.5 Ų | 124.5 | 21% | 0.206 | 70% | 0.695 | C | S | . | * | S | Bend | trans | -68.6 | 166.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D311 M315 A316 | D311-G313 PolarHBondContact O-N 2.8Å; G313-M315 PolarHBondContact O-N 3.09Å; G313-A316 PolarHBondContact O-N 3.34Å; G313-A316 VanDerWaalsContact O-N 3.09Å |
| 314 | P | 59.1 | Low | 64.4 | Low | 110 Ų | 110 | 126.5 Ų | 126.5 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 1.4 | -165.4 | 24.8 | -35.4 | 0 | 0 | 0 | 116.2 | Y318 | P314-Y318 VanDerWaalsContact O-CD2 3.3Å; P314-Y318 WeakPolarHBondContact O-CD2 3.3Å; P314-Y318 VanDerWaalsContact O-CE2 3.23Å; P314-Y318 WeakPolarHBondContact O-CE2 3.16Å |
| 315 | M | 56 | Low | 64 | Low | 140 Ų | 140 | 124.7 Ų | 124.7 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -22 | 169.9 | -73.4 | -96.8 | 64.1 | 0 | 0 | 113.2 | G313 T317 Y318 | G313-M315 PolarHBondContact O-N 3.09Å; M315-T317 PolarHBondContact O-N 3.42Å; M315-Y318 HydrophobicContact CE-CD1 4.4Å; M315-Y318 HydrophobicContact CE-CD2 3.43Å; M315-Y318 VanDerWaalsContact CE-CD2 3.43Å; M315-Y318 HydrophobicContact CE-CE2 3.67Å; M315-Y318 HydrophobicContact CE-CG 3.82Å; M315-Y318 PolarHBondContact O-N 3.28Å |
| 316 | A | 59.1 | Low | 63.5 | Low | 84 Ų | 84 | 120.7 Ų | 120.7 | 69% | 0.694 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -29.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G313 Y318 | G313-A316 PolarHBondContact O-N 3.34Å; G313-A316 VanDerWaalsContact O-N 3.09Å; A316-Y318 VanDerWaalsContact C-N 3.29Å; A316-Y318 PolarHBondContact O-N 2.97Å |
| 317 | T | 58.9 | Low | 62.7 | Low | 99 Ų | 99 | 126.6 Ų | 126.6 | 61% | 0.607 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -6.5 | -174.8 | -28.6 | 0 | 0 | 0 | 0 | 114.3 | M315 R319 | M315-T317 PolarHBondContact O-N 3.42Å; T317-R319 VanDerWaalsContact C-N 3.28Å; T317-R319 PolarHBondContact O-N 3Å; T317-R319 VanDerWaalsContact O-N 3.16Å |
| 318 | Y | 59 | Low | 61.6 | Low | 178 Ų | 178 | 129.2 Ų | 129.2 | 70% | 0.698 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 10.3 | -166.8 | -85.4 | -93.8 | 0 | 0 | 0 | 116.2 | P314 M315 A316 | P314-Y318 VanDerWaalsContact O-CD2 3.3Å; P314-Y318 WeakPolarHBondContact O-CD2 3.3Å; P314-Y318 VanDerWaalsContact O-CE2 3.23Å; P314-Y318 WeakPolarHBondContact O-CE2 3.16Å; M315-Y318 HydrophobicContact CE-CD1 4.4Å; M315-Y318 HydrophobicContact CE-CD2 3.43Å; M315-Y318 VanDerWaalsContact CE-CD2 3.43Å; M315-Y318 HydrophobicContact CE-CE2 3.67Å; M315-Y318 HydrophobicContact CE-CG 3.82Å; M315-Y318 PolarHBondContact O-N 3.28Å; A316-Y318 VanDerWaalsContact C-N 3.29Å; A316-Y318 PolarHBondContact O-N 2.97Å |
| 319 | R | 62.2 | Low | 60.9 | Low | 229 Ų | 229 | 125.4 Ų | 125.4 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 13.8 | -179.8 | -81.2 | -163.5 | 172.7 | -86.7 | -1.8 | 117.2 | T317 V321 | T317-R319 VanDerWaalsContact C-N 3.28Å; T317-R319 PolarHBondContact O-N 3Å; T317-R319 VanDerWaalsContact O-N 3.16Å; R319-V321 PolarHBondContact O-N 3.16Å |
| 320 | E | 60.9 | Low | 60.4 | Low | 156 Ų | 156 | 124.4 Ų | 124.4 | 73% | 0.729 | 71% | 0.709 | S | S | * | * | trans | -80 | 75.2 | 163 | -73.2 | -177.1 | 151.6 | 0 | 0 | 110.1 | ||||
| 321 | V | 61.8 | Low | 60 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 71% | 0.709 | 71% | 0.713 | S | S | * | * | trans | -85.4 | 105.4 | 162.2 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | R319 D323 | R319-V321 PolarHBondContact O-N 3.16Å; V321-D323 PolarHBondContact O-N 2.91Å | ||
| 322 | H | 59.6 | Low | 59.4 | Low | 130 Ų | 130 | 128.9 Ų | 128.9 | 60% | 0.602 | 72% | 0.717 | S | S | * | * | trans | -76.6 | 110.1 | 173.4 | -72.2 | -102 | 0 | 0 | 0 | 109.5 | E324 | H322-E324 HydrophobicContact CB-CG 4.12Å; H322-E324 IonicContact ND1-OE1 3.48Å; H322-E324 PolarHBondContact O-N 2.78Å | ||
| 323 | D | 64.2 | Low | 58.7 | Low | 149 Ų | 149 | 136.7 Ų | 136.7 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -74.6 | 71.5 | 168.3 | -74.8 | -29.6 | 0 | 0 | 0 | 109.8 | V321 G325 | V321-D323 PolarHBondContact O-N 2.91Å; D323-G325 PolarHBondContact O-N 3.35Å | ||
| 324 | E | 61.1 | Low | 58.2 | Low | 173 Ų | 173 | 142.5 Ų | 142.5 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | -68.5 | 68.1 | 169.9 | -66.3 | -61 | 151.6 | 0 | 0 | 110.1 | H322 | H322-E324 HydrophobicContact CB-CG 4.12Å; H322-E324 IonicContact ND1-OE1 3.48Å; H322-E324 PolarHBondContact O-N 2.78Å | ||
| 325 | G | 61.1 | Low | 58.2 | Low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | -147.9 | 15.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115 | D323 | D323-G325 PolarHBondContact O-N 3.35Š| ||
| 326 | A | 57.2 | Low | 58.3 | Low | 88 Ų | 88 | 144.4 Ų | 144.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -120.2 | 65.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | L328 | A326-L328 PolarHBondContact O-N 3.04Š| ||
| 327 | H | 54.7 | Low | 58.3 | Low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -64 | 106 | 168.1 | -103.6 | -84.3 | 0 | 0 | 0 | 109.9 | S329 | H327-S329 PolarHBondContact O-N 3.34Å; H327-S329 VanDerWaalsContact O-N 3.09Å | ||
| 328 | L | 50.5 | Low | 58.2 | Low | 167 Ų | 167 | 151.1 Ų | 151.1 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -74.7 | 90.5 | 168.8 | -65.9 | 174.7 | 0 | 0 | 0 | 109.3 | A326 S330 | A326-L328 PolarHBondContact O-N 3.04Å; L328-S330 PolarHBondContact O-N 3.09Å | ||
| 329 | S | 54.3 | Low | 58.2 | Low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -82 | 97.9 | 165.5 | -76.8 | 0 | 0 | 0 | 0 | 110.1 | H327 | H327-S329 PolarHBondContact O-N 3.34Å; H327-S329 VanDerWaalsContact O-N 3.09Å | ||
| 330 | S | 61.1 | Low | 57.9 | Low | 90 Ų | 90 | 143.6 Ų | 143.6 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | -82 | -175.5 | 147.8 | 66.8 | 0 | 0 | 0 | 0 | 109.9 | L328 | L328-S330 PolarHBondContact O-N 3.09Š| ||
| 331 | E | 64 | Low | 57.7 | Low | 151 Ų | 151 | 142.6 Ų | 142.6 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 62.3 | 113.9 | -179.8 | -89.2 | 65.3 | -178.3 | 0 | 0 | 114.5 | ||||
| 332 | E | 53.2 | Low | 57.3 | Low | 180 Ų | 180 | 144.8 Ų | 144.8 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | 92.3 | 97 | 52.9 | -175.1 | 171.3 | 112.8 | 0 | 0 | 112.1 | |||||
| 333 | D | 47 | Very low | 57.1 | Low | 238 Ų | 238 | 146.1 Ų | 146.1 | 100% | 1.273 | 82% | 0.823 | S | S | * | * | -168.7 | 0 | 126.9 | -151.1 | 11.4 | 0 | 0 | 0 | 109.3 |
Retrieved 333 of 333 residues in 69.4 ms
(Link to these results)