| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.8 | Very low | 84 | Confident | 227 Ų | 227 | 98.5 Ų | 98.5 | 100% | 1.118 | 49% | 0.491 | S | S | * | . | 0 | 126 | 0 | -66.5 | -77.3 | -167.5 | 0 | 0 | 107.4 | Q3 | M1-Q3 PolarHBondContact O-N 2.72Š| |||
| 2 | P | 59.1 | Low | 85.1 | Confident | 129 Ų | 129 | 95.2 Ų | 95.2 | 84% | 0.838 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 130.2 | 168 | 24.8 | -30.4 | 0 | 0 | 0 | 108.2 | K4 | P2-K4 PolarHBondContact O-N 2.86Š|
| 3 | Q | 73.6 | Confident | 86 | Confident | 165 Ų | 165 | 94 Ų | 94 | 77% | 0.771 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 135.2 | 176.2 | -76.4 | -76.2 | 2.8 | 0 | 0 | 108.6 | M1 D5 | M1-Q3 PolarHBondContact O-N 2.72Å; Q3-D5 PolarHBondContact O-N 3.43Å |
| 4 | K | 84.9 | Confident | 86.8 | Confident | 176 Ų | 176 | 88.4 Ų | 88.4 | 77% | 0.765 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 130.7 | -178.5 | -152.3 | 165.5 | -173 | 167.8 | 0 | 108.5 | P2 | P2-K4 PolarHBondContact O-N 2.86Š|
| 5 | D | 91.5 | Very high | 87.5 | Confident | 28 Ų | 28 | 89.9 Ų | 89.9 | 15% | 0.15 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -65 | 125.2 | 179.8 | 178.3 | -46 | 0 | 0 | 0 | 109 | Q3 C7 Q8 S47 V48 V49 | Q3-D5 PolarHBondContact O-N 3.43Å; D5-C7 PolarHBondContact O-N 3.38Å; D5-C7 PolarHBondContact OD1-N 3.4Å; D5-Q8 HydrophobicContact CB-CB 4.06Å; D5-Q8 WeakPolarHBondContact O-CB 3.22Å; D5-Q8 PolarHBondContact O-N 3.49Å; D5-Q8 PolarHBondContact OD1-N 2.92Å; D5-S47 WeakPolarHBondContact OD1-CB 3.46Å; D5-S47 PolarHBondContact OD1-OG 3.25Å; D5-S47 VanDerWaalsContact OD2-CA 3.29Å; D5-S47 WeakPolarHBondContact OD2-CA 3.29Å; D5-S47 PolarHBondContact OD2-OG 3.22Å; D5-V48 PolarHBondContact OD2-N 3.5Å; D5-V49 PolarHBondContact OD2-N 2.95Å |
| 6 | P | 94.4 | Very high | 88.2 | Confident | 38 Ų | 38 | 91.8 Ų | 91.8 | 25% | 0.247 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -23.1 | -170.9 | 27.3 | -35.5 | 0 | 0 | 0 | 113.5 | Y42 R46 | P6-Y42 HydrophobicContact CB-CD2 4.21Å; P6-Y42 HydrophobicContact CB-CE1 4.14Å; P6-Y42 HydrophobicContact CB-CE2 3.63Å; P6-Y42 HydrophobicContact CG-CD1 4.43Å; P6-Y42 HydrophobicContact CG-CD2 4.01Å; P6-Y42 HydrophobicContact CG-CE1 4.38Å; P6-Y42 HydrophobicContact CG-CE2 3.96Å; P6-Y42 HydrophobicContact CG-CG 4.26Å; P6-R46 HydrophobicContact CG-CG 4.25Å |
| 7 | C | 95.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 5.8 | -178.1 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | D5 K9 Q10 A11 L35 C38 V49 C50 | D5-C7 PolarHBondContact O-N 3.38Å; D5-C7 PolarHBondContact OD1-N 3.4Å; C7-K9 PolarHBondContact O-N 3.33Å; C7-Q10 PolarHBondContact O-N 3.18Å; C7-Q10 PolarHBondContact O-OE1 3.07Å; C7-A11 PolarHBondContact O-N 3.25Å; C7-A11 VanDerWaalsContact O-N 3.16Å; C7-L35 HydrophobicContact CB-CD1 3.68Å; C7-C38 WeakPolarHBondContact CA-SG 3.08Å; C7-C38 HydrophobicContact CB-CB 3.95Å; C7-C38 WeakPolarHBondContact CB-SG 3.27Å; C7-C38 WeakPolarHBondContact SG-CB 3.44Å; C7-C38 CovalentContact SG-SG 2.04Å; C7-C38 PolarHBondContact SG-SG 3.27Å; C7-V49 HydrophobicContact CB-CG2 3.64Å; C7-C50 VanDerWaalsContact SG-SG 3.69Å |
| 8 | Q | 94.3 | Very high | 89.3 | Confident | 90 Ų | 90 | 84.1 Ų | 84.1 | 42% | 0.421 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.4 | -35.7 | 179 | -170.7 | 174.1 | 3.7 | 0 | 0 | 112.9 | D5 A11 C12 | D5-Q8 HydrophobicContact CB-CB 4.06Å; D5-Q8 WeakPolarHBondContact O-CB 3.22Å; D5-Q8 PolarHBondContact O-N 3.49Å; D5-Q8 PolarHBondContact OD1-N 2.92Å; Q8-A11 PolarHBondContact O-N 3.38Å; Q8-C12 PolarHBondContact O-N 2.99Å; Q8-C12 PolarHBondContact O-SG 3.07Å |
| 9 | K | 95.2 | Very high | 89.8 | Confident | 161 Ų | 161 | 86.2 Ų | 86.2 | 70% | 0.7 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60 | -51 | -179.9 | -178.4 | -176.1 | 176.5 | -173.8 | 0 | 110.8 | C7 A11 C12 E13 | C7-K9 PolarHBondContact O-N 3.33Å; K9-A11 VanDerWaalsContact C-N 3.33Å; K9-A11 PolarHBondContact O-N 2.98Å; K9-C12 PolarHBondContact O-N 2.74Å; K9-E13 WeakPolarHBondContact O-CG 3.48Å; K9-E13 PolarHBondContact O-N 3.12Å |
| 10 | Q | 95.1 | Very high | 90.2 | Very high | 51 Ų | 51 | 85.8 Ų | 85.8 | 24% | 0.238 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | -179.8 | -67.1 | 84.1 | -24.7 | 0 | 0 | 110.7 | C7 C12 E13 I14 L35 C38 | C7-Q10 PolarHBondContact O-N 3.18Å; C7-Q10 PolarHBondContact O-OE1 3.07Å; Q10-C12 VanDerWaalsContact C-N 3.34Å; Q10-C12 PolarHBondContact O-N 3.48Å; Q10-E13 PolarHBondContact O-N 3.03Å; Q10-E13 VanDerWaalsContact O-N 3.15Å; Q10-I14 WeakPolarHBondContact O-CG1 3.49Å; Q10-I14 PolarHBondContact O-N 3.48Å; Q10-L35 HydrophobicContact CB-CB 3.93Å; Q10-L35 HydrophobicContact CB-CD1 3.74Å; Q10-L35 HydrophobicContact CB-CG 4.41Å; Q10-C38 HydrophobicContact CG-CB 4.43Å |
| 11 | A | 95.5 | Very high | 90.6 | Very high | 19 Ų | 19 | 83.7 Ų | 83.7 | 16% | 0.157 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C7 Q8 K9 E13 I14 Q15 L35 V49 | C7-A11 PolarHBondContact O-N 3.25Å; C7-A11 VanDerWaalsContact O-N 3.16Å; Q8-A11 PolarHBondContact O-N 3.38Å; K9-A11 VanDerWaalsContact C-N 3.33Å; K9-A11 PolarHBondContact O-N 2.98Å; A11-E13 VanDerWaalsContact C-N 3.34Å; A11-E13 PolarHBondContact O-N 3.3Å; A11-I14 PolarHBondContact O-N 3.15Å; A11-Q15 PolarHBondContact O-N 3.09Å; A11-L35 HydrophobicContact CB-CD1 4.49Å; A11-L35 HydrophobicContact CB-CD2 4.27Å; A11-V49 HydrophobicContact CB-CB 3.93Å; A11-V49 HydrophobicContact CB-CG1 3.75Å; A11-V49 HydrophobicContact CB-CG2 4.1Å |
| 12 | C | 96.8 | Very high | 93.1 | Very high | 58 Ų | 58 | 79 Ų | 79 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 174.4 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | Q8 K9 Q10 I14 Q15 K16 | Q8-C12 PolarHBondContact O-N 2.99Å; Q8-C12 PolarHBondContact O-SG 3.07Å; K9-C12 PolarHBondContact O-N 2.74Å; Q10-C12 VanDerWaalsContact C-N 3.34Å; Q10-C12 PolarHBondContact O-N 3.48Å; C12-I14 VanDerWaalsContact C-N 3.33Å; C12-Q15 PolarHBondContact O-N 2.87Å; C12-K16 WeakPolarHBondContact O-CG 3.44Å; C12-K16 PolarHBondContact O-N 3.19Å |
| 13 | E | 97.4 | Very high | 94.9 | Very high | 80 Ų | 80 | 80.4 Ų | 80.4 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 176.2 | -65.9 | -60.1 | 108 | 0 | 0 | 112.1 | K9 Q10 A11 K16 C17 V31 | K9-E13 WeakPolarHBondContact O-CG 3.48Å; K9-E13 PolarHBondContact O-N 3.12Å; Q10-E13 PolarHBondContact O-N 3.03Å; Q10-E13 VanDerWaalsContact O-N 3.15Å; A11-E13 VanDerWaalsContact C-N 3.34Å; A11-E13 PolarHBondContact O-N 3.3Å; E13-K16 PolarHBondContact O-N 3.04Å; E13-K16 WeakPolarHBondContact OE1-CD 3.35Å; E13-K16 WeakPolarHBondContact OE1-CE 3.41Å; E13-K16 IonicContact OE1-NZ 2.72Å; E13-K16 PolarHBondContact OE1-NZ 2.04Å; E13-C17 WeakPolarHBondContact O-CB 3.49Å; E13-C17 PolarHBondContact O-N 3.46Å; E13-V31 HydrophobicContact CB-CG1 3.61Å |
| 14 | I | 97.1 | Very high | 96 | Very high | 15 Ų | 15 | 76 Ų | 76 | 8% | 0.077 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 172.4 | -66.1 | 171.2 | 0 | 0 | 0 | 110.1 | Q10 A11 C12 K16 C17 L18 V31 I32 L35 F53 | Q10-I14 WeakPolarHBondContact O-CG1 3.49Å; Q10-I14 PolarHBondContact O-N 3.48Å; A11-I14 PolarHBondContact O-N 3.15Å; C12-I14 VanDerWaalsContact C-N 3.33Å; I14-K16 VanDerWaalsContact C-N 3.35Å; I14-K16 PolarHBondContact O-N 3.23Å; I14-C17 WeakPolarHBondContact O-CB 3.49Å; I14-C17 PolarHBondContact O-N 2.84Å; I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 HydrophobicContact CG2-CG 4.26Å; I14-L18 WeakPolarHBondContact O-CB 3.39Å; I14-L18 WeakPolarHBondContact O-CG 3.17Å; I14-L18 PolarHBondContact O-N 3.47Å; I14-V31 HydrophobicContact CG1-CB 4.09Å; I14-V31 HydrophobicContact CG1-CG1 3.68Å; I14-I32 HydrophobicContact CD1-CB 4.46Å; I14-I32 HydrophobicContact CD1-CG1 3.91Å; I14-I32 HydrophobicContact CG1-CG1 4.1Å; I14-I32 HydrophobicContact CG2-CG1 4.26Å; I14-L35 HydrophobicContact CD1-CB 3.78Å; I14-L35 HydrophobicContact CD1-CD2 3.35Å; I14-L35 HydrophobicContact CD1-CG 4.2Å; I14-F53 HydrophobicContact CD1-CZ 4.36Å |
| 15 | Q | 97.2 | Very high | 96.5 | Very high | 112 Ų | 112 | 73 Ų | 73 | 52% | 0.523 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 179.3 | -65.9 | -59.7 | -55.6 | 0 | 0 | 111.7 | A11 C12 C17 L18 Q19 | A11-Q15 PolarHBondContact O-N 3.09Å; C12-Q15 PolarHBondContact O-N 2.87Å; Q15-C17 PolarHBondContact O-N 3.44Å; Q15-L18 PolarHBondContact O-N 3.49Å; Q15-Q19 WeakPolarHBondContact O-CG 3.43Å; Q15-Q19 PolarHBondContact O-N 3.06Å |
| 16 | K | 98.4 | Very high | 96.8 | Very high | 120 Ų | 120 | 76 Ų | 76 | 52% | 0.522 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 174.2 | -68.9 | 176.7 | -171.7 | 167.6 | 0 | 112.1 | C12 E13 I14 L18 Q19 A20 | C12-K16 WeakPolarHBondContact O-CG 3.44Å; C12-K16 PolarHBondContact O-N 3.19Å; E13-K16 PolarHBondContact O-N 3.04Å; E13-K16 WeakPolarHBondContact OE1-CD 3.35Å; E13-K16 WeakPolarHBondContact OE1-CE 3.41Å; E13-K16 IonicContact OE1-NZ 2.72Å; E13-K16 PolarHBondContact OE1-NZ 2.04Å; I14-K16 VanDerWaalsContact C-N 3.35Å; I14-K16 PolarHBondContact O-N 3.23Å; K16-L18 PolarHBondContact O-N 3.3Å; K16-Q19 PolarHBondContact O-N 3.01Å; K16-A20 WeakPolarHBondContact O-CB 3.37Å; K16-A20 PolarHBondContact O-N 3.41Å |
| 17 | C | 98.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 79.9 Ų | 79.9 | 14% | 0.135 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 178 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | E13 I14 Q15 A20 N21 C28 V31 | E13-C17 WeakPolarHBondContact O-CB 3.49Å; E13-C17 PolarHBondContact O-N 3.46Å; I14-C17 WeakPolarHBondContact O-CB 3.49Å; I14-C17 PolarHBondContact O-N 2.84Å; Q15-C17 PolarHBondContact O-N 3.44Å; C17-A20 PolarHBondContact O-N 2.85Å; C17-N21 VanDerWaalsContact O-CB 3.29Å; C17-N21 WeakPolarHBondContact O-CB 3.43Å; C17-N21 PolarHBondContact O-N 3.13Å; C17-N21 PolarHBondContact O-ND2 2.93Å; C17-N21 PolarHBondContact SG-ND2 3.26Å; C17-N21 VanDerWaalsContact SG-ND2 3.43Å; C17-C28 HydrophobicContact CB-CB 3.92Å; C17-C28 WeakPolarHBondContact CB-SG 3.33Å; C17-C28 PolarHBondContact O-SG 3.04Å; C17-C28 WeakPolarHBondContact SG-CA 3.32Å; C17-C28 WeakPolarHBondContact SG-CB 3.5Å; C17-C28 CovalentContact SG-SG 2.04Å; C17-C28 PolarHBondContact SG-SG 2.86Å; C17-V31 HydrophobicContact CB-CG2 4.36Å |
| 18 | L | 98.3 | Very high | 97 | Very high | 24 Ų | 24 | 80 Ų | 80 | 13% | 0.126 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.5 | -49.4 | 177.7 | -74.7 | 171.1 | 0 | 0 | 0 | 110.5 | I14 Q15 K16 A20 N21 N22 Y23 E25 C28 | I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 HydrophobicContact CG2-CG 4.26Å; I14-L18 WeakPolarHBondContact O-CB 3.39Å; I14-L18 WeakPolarHBondContact O-CG 3.17Å; I14-L18 PolarHBondContact O-N 3.47Å; Q15-L18 PolarHBondContact O-N 3.49Å; K16-L18 PolarHBondContact O-N 3.3Å; L18-A20 VanDerWaalsContact C-N 3.3Å; L18-A20 PolarHBondContact O-N 3.36Å; L18-N21 CarbonylContact O-C 3.46Å; L18-N21 PolarHBondContact O-N 3.28Å; L18-N22 PolarHBondContact O-N 3.21Å; L18-Y23 HydrophobicContact CB-CD1 4.01Å; L18-Y23 WeakPolarHBondContact O-CA 3.35Å; L18-Y23 PolarHBondContact O-N 3.04Å; L18-E25 HydrophobicContact CD2-CB 4.27Å; L18-C28 PolarHBondContact N-SG 2.94Å |
| 19 | Q | 98.4 | Very high | 97.2 | Very high | 125 Ų | 125 | 78.9 Ų | 78.9 | 58% | 0.584 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57.2 | -43.2 | 176.8 | -72.5 | -176.3 | -38.2 | 0 | 0 | 112.3 | Q15 K16 N21 Y23 | Q15-Q19 WeakPolarHBondContact O-CG 3.43Å; Q15-Q19 PolarHBondContact O-N 3.06Å; K16-Q19 PolarHBondContact O-N 3.01Å; Q19-N21 VanDerWaalsContact C-N 3.29Å; Q19-N21 PolarHBondContact O-N 3.14Å; Q19-Y23 HydrophobicContact CG-CE1 4.22Å |
| 20 | A | 98.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 74.5 Ų | 74.5 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -69.4 | -24.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | K16 C17 L18 | K16-A20 WeakPolarHBondContact O-CB 3.37Å; K16-A20 PolarHBondContact O-N 3.41Å; C17-A20 PolarHBondContact O-N 2.85Å; L18-A20 VanDerWaalsContact C-N 3.3Å; L18-A20 PolarHBondContact O-N 3.36Å |
| 21 | N | 97.9 | Very high | 97.3 | Very high | 42 Ų | 42 | 74 Ų | 74 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 22.1 | -175.3 | -73.3 | -79.1 | 0 | 0 | 0 | 113.3 | C17 L18 Q19 Y23 M24 K27 | C17-N21 VanDerWaalsContact O-CB 3.29Å; C17-N21 WeakPolarHBondContact O-CB 3.43Å; C17-N21 PolarHBondContact O-N 3.13Å; C17-N21 PolarHBondContact O-ND2 2.93Å; C17-N21 PolarHBondContact SG-ND2 3.26Å; C17-N21 VanDerWaalsContact SG-ND2 3.43Å; L18-N21 CarbonylContact O-C 3.46Å; L18-N21 PolarHBondContact O-N 3.28Å; Q19-N21 VanDerWaalsContact C-N 3.29Å; Q19-N21 PolarHBondContact O-N 3.14Å; N21-Y23 PolarHBondContact O-N 2.7Å; N21-M24 VanDerWaalsContact O-CB 3.32Å; N21-M24 WeakPolarHBondContact O-CB 3Å; N21-M24 WeakPolarHBondContact O-CE 3.06Å; N21-M24 PolarHBondContact O-N 3.45Å; N21-K27 HydrophobicContact CB-CB 4.05Å; N21-K27 HydrophobicContact CB-CD 4.07Å; N21-K27 VanDerWaalsContact OD1-CD 3.22Å; N21-K27 WeakPolarHBondContact OD1-CD 3.49Å |
| 22 | N | 97.5 | Very high | 97.3 | Very high | 129 Ų | 129 | 73.4 Ų | 73.4 | 69% | 0.69 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 40.4 | -177.5 | -56.1 | -77.5 | 0 | 0 | 0 | 112.3 | L18 M24 | L18-N22 PolarHBondContact O-N 3.21Å; N22-M24 HydrophobicContact CB-CE 4.32Å; N22-M24 PolarHBondContact O-N 3.45Å; N22-M24 VanDerWaalsContact O-N 3.14Å |
| 23 | Y | 96.9 | Very high | 97.3 | Very high | 158 Ų | 158 | 75.6 Ų | 75.6 | 62% | 0.62 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 18.9 | -179.5 | -51.5 | -86.2 | 0 | 0 | 0 | 114.6 | L18 Q19 N21 E25 | L18-Y23 HydrophobicContact CB-CD1 4.01Å; L18-Y23 WeakPolarHBondContact O-CA 3.35Å; L18-Y23 PolarHBondContact O-N 3.04Å; Q19-Y23 HydrophobicContact CG-CE1 4.22Å; N21-Y23 PolarHBondContact O-N 2.7Å; Y23-E25 PolarHBondContact O-N 2.89Å |
| 24 | M | 97.4 | Very high | 97.3 | Very high | 73 Ų | 73 | 76.2 Ų | 76.2 | 36% | 0.36 | 39% | 0.394 | S | S | . | . | trans | -74.4 | 94.5 | 171.8 | -71.8 | -177.2 | -87.1 | 0 | 0 | 110.8 | N21 N22 S26 K27 | N21-M24 VanDerWaalsContact O-CB 3.32Å; N21-M24 WeakPolarHBondContact O-CB 3Å; N21-M24 WeakPolarHBondContact O-CE 3.06Å; N21-M24 PolarHBondContact O-N 3.45Å; N22-M24 HydrophobicContact CB-CE 4.32Å; N22-M24 PolarHBondContact O-N 3.45Å; N22-M24 VanDerWaalsContact O-N 3.14Å; M24-S26 PolarHBondContact O-N 3.28Å; M24-K27 HydrophobicContact CB-CD 4.24Å; M24-K27 HydrophobicContact CB-CG 4.13Å; M24-K27 HydrophobicContact CE-CD 4.04Å; M24-K27 VanDerWaalsContact CE-NZ 3.29Å; M24-K27 WeakPolarHBondContact O-CB 3.37Å; M24-K27 PolarHBondContact O-N 3.49Å; M24-K27 HydrophobicContact SD-CD 4.29Å | ||
| 25 | E | 95 | Very high | 97.2 | Very high | 113 Ų | 113 | 75.7 Ų | 75.7 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -56.7 | -33.8 | 179.2 | -165.9 | -168.8 | 92.5 | 0 | 0 | 113.3 | L18 Y23 K27 C28 Q29 I32 | L18-E25 HydrophobicContact CD2-CB 4.27Å; Y23-E25 PolarHBondContact O-N 2.89Å; E25-K27 PolarHBondContact O-N 3.44Å; E25-K27 VanDerWaalsContact O-N 3.13Å; E25-C28 CarbonylContact O-C 3.57Å; E25-C28 WeakPolarHBondContact O-CA 3.38Å; E25-C28 PolarHBondContact O-N 2.99Å; E25-Q29 PolarHBondContact O-N 3.37Å; E25-Q29 PolarHBondContact O-NE2 3.39Å; E25-Q29 PolarHBondContact OE1-NE2 3.33Å; E25-I32 HydrophobicContact CG-CD1 3.31Å |
| 26 | S | 97 | Very high | 97.1 | Very high | 91 Ų | 91 | 74.1 Ų | 74.1 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -56.6 | -28.8 | 176.6 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | M24 Q29 | M24-S26 PolarHBondContact O-N 3.28Å; S26-Q29 WeakPolarHBondContact O-CG 3.5Å |
| 27 | K | 97.7 | Very high | 96.9 | Very high | 120 Ų | 120 | 73.7 Ų | 73.7 | 52% | 0.522 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -81.8 | -16.1 | 175.5 | -61.3 | -171 | 177.5 | -175.9 | 0 | 113.3 | N21 M24 E25 | N21-K27 HydrophobicContact CB-CB 4.05Å; N21-K27 HydrophobicContact CB-CD 4.07Å; N21-K27 VanDerWaalsContact OD1-CD 3.22Å; N21-K27 WeakPolarHBondContact OD1-CD 3.49Å; M24-K27 HydrophobicContact CB-CD 4.24Å; M24-K27 HydrophobicContact CB-CG 4.13Å; M24-K27 HydrophobicContact CE-CD 4.04Å; M24-K27 VanDerWaalsContact CE-NZ 3.29Å; M24-K27 WeakPolarHBondContact O-CB 3.37Å; M24-K27 PolarHBondContact O-N 3.49Å; M24-K27 HydrophobicContact SD-CD 4.29Å; E25-K27 PolarHBondContact O-N 3.44Å; E25-K27 VanDerWaalsContact O-N 3.13Å |
| 28 | C | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.007 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -103.1 | 6.7 | -177.2 | -62.1 | 0 | 0 | 0 | 0 | 113.8 | C17 L18 E25 A30 V31 I32 | C17-C28 HydrophobicContact CB-CB 3.92Å; C17-C28 WeakPolarHBondContact CB-SG 3.33Å; C17-C28 PolarHBondContact O-SG 3.04Å; C17-C28 WeakPolarHBondContact SG-CA 3.32Å; C17-C28 WeakPolarHBondContact SG-CB 3.5Å; C17-C28 CovalentContact SG-SG 2.04Å; C17-C28 PolarHBondContact SG-SG 2.86Å; L18-C28 PolarHBondContact N-SG 2.94Å; E25-C28 CarbonylContact O-C 3.57Å; E25-C28 WeakPolarHBondContact O-CA 3.38Å; E25-C28 PolarHBondContact O-N 2.99Å; C28-A30 PolarHBondContact O-N 2.95Å; C28-A30 VanDerWaalsContact O-N 3.12Å; C28-V31 PolarHBondContact O-N 3.16Å; C28-I32 HydrophobicContact CB-CD1 4.26Å; C28-I32 WeakPolarHBondContact O-CG1 3.39Å; C28-I32 PolarHBondContact O-N 3.18Å |
| 29 | Q | 97.5 | Very high | 96.6 | Very high | 67 Ų | 67 | 72 Ų | 72 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -53.2 | -36.2 | -177.6 | -70.1 | -62.8 | -50.5 | 0 | 0 | 113.3 | E25 S26 V31 I32 Q33 | E25-Q29 PolarHBondContact O-N 3.37Å; E25-Q29 PolarHBondContact O-NE2 3.39Å; E25-Q29 PolarHBondContact OE1-NE2 3.33Å; S26-Q29 WeakPolarHBondContact O-CG 3.5Å; Q29-V31 PolarHBondContact O-N 3.25Å; Q29-I32 PolarHBondContact O-N 3.2Å; Q29-Q33 WeakPolarHBondContact O-CB 3.42Å; Q29-Q33 VanDerWaalsContact O-CG 3.29Å; Q29-Q33 WeakPolarHBondContact O-CG 3.46Å; Q29-Q33 PolarHBondContact O-N 3.22Å |
| 30 | A | 96.5 | Very high | 96.4 | Very high | 70 Ų | 70 | 70.1 Ų | 70.1 | 58% | 0.579 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.4 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C28 Q33 E34 | C28-A30 PolarHBondContact O-N 2.95Å; C28-A30 VanDerWaalsContact O-N 3.12Å; A30-Q33 PolarHBondContact O-N 3.43Å; A30-E34 WeakPolarHBondContact O-CG 3.29Å; A30-E34 PolarHBondContact O-N 3.36Å; A30-E34 VanDerWaalsContact O-N 3.09Å |
| 31 | V | 96.3 | Very high | 96.2 | Very high | 40 Ų | 40 | 73.2 Ų | 73.2 | 24% | 0.242 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72 | -35.4 | -179.7 | -166.5 | 0 | 0 | 0 | 0 | 111 | E13 I14 C17 C28 Q29 E34 L35 | E13-V31 HydrophobicContact CB-CG1 3.61Å; I14-V31 HydrophobicContact CG1-CB 4.09Å; I14-V31 HydrophobicContact CG1-CG1 3.68Å; C17-V31 HydrophobicContact CB-CG2 4.36Å; C28-V31 PolarHBondContact O-N 3.16Å; Q29-V31 PolarHBondContact O-N 3.25Å; V31-E34 PolarHBondContact O-N 3.06Å; V31-L35 PolarHBondContact O-N 3.16Å |
| 32 | I | 96.2 | Very high | 95.8 | Very high | 7 Ų | 7 | 75.5 Ų | 75.5 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 174 | -67.2 | 165.1 | 0 | 0 | 0 | 110.7 | I14 E25 C28 Q29 E34 L35 R36 F53 | I14-I32 HydrophobicContact CD1-CB 4.46Å; I14-I32 HydrophobicContact CD1-CG1 3.91Å; I14-I32 HydrophobicContact CG1-CG1 4.1Å; I14-I32 HydrophobicContact CG2-CG1 4.26Å; E25-I32 HydrophobicContact CG-CD1 3.31Å; C28-I32 HydrophobicContact CB-CD1 4.26Å; C28-I32 WeakPolarHBondContact O-CG1 3.39Å; C28-I32 PolarHBondContact O-N 3.18Å; Q29-I32 PolarHBondContact O-N 3.2Å; I32-E34 VanDerWaalsContact C-N 3.32Å; I32-E34 PolarHBondContact O-N 3.4Å; I32-L35 PolarHBondContact O-N 2.9Å; I32-R36 PolarHBondContact O-N 3.31Å; I32-F53 HydrophobicContact CG2-CE1 3.79Å; I32-F53 HydrophobicContact CG2-CZ 4.35Å |
| 33 | Q | 96 | Very high | 95.5 | Very high | 104 Ų | 104 | 74.1 Ų | 74.1 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 174.8 | -76.2 | -178.9 | -7.1 | 0 | 0 | 112.1 | Q29 A30 L35 R36 K37 | Q29-Q33 WeakPolarHBondContact O-CB 3.42Å; Q29-Q33 VanDerWaalsContact O-CG 3.29Å; Q29-Q33 WeakPolarHBondContact O-CG 3.46Å; Q29-Q33 PolarHBondContact O-N 3.22Å; A30-Q33 PolarHBondContact O-N 3.43Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-L35 PolarHBondContact O-N 3.01Å; Q33-R36 PolarHBondContact O-N 3.1Å; Q33-K37 WeakPolarHBondContact O-CG 3.35Å; Q33-K37 PolarHBondContact O-N 3.36Å |
| 34 | E | 96.4 | Very high | 95 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 174.1 | -71.9 | -60.3 | 113.6 | 0 | 0 | 112.3 | A30 V31 I32 K37 C38 | A30-E34 WeakPolarHBondContact O-CG 3.29Å; A30-E34 PolarHBondContact O-N 3.36Å; A30-E34 VanDerWaalsContact O-N 3.09Å; V31-E34 PolarHBondContact O-N 3.06Å; I32-E34 VanDerWaalsContact C-N 3.32Å; I32-E34 PolarHBondContact O-N 3.4Å; E34-K37 PolarHBondContact O-N 3.43Å; E34-K37 WeakPolarHBondContact OE1-CD 3.42Å; E34-K37 WeakPolarHBondContact OE1-CE 3.44Å; E34-K37 IonicContact OE1-NZ 2.7Å; E34-K37 PolarHBondContact OE1-NZ 2.03Å; E34-C38 PolarHBondContact O-N 2.93Å |
| 35 | L | 95.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 173.1 | -179 | 61 | 0 | 0 | 0 | 111.4 | C7 Q10 A11 I14 V31 I32 Q33 K37 C38 C39 V49 F53 | C7-L35 HydrophobicContact CB-CD1 3.68Å; Q10-L35 HydrophobicContact CB-CB 3.93Å; Q10-L35 HydrophobicContact CB-CD1 3.74Å; Q10-L35 HydrophobicContact CB-CG 4.41Å; A11-L35 HydrophobicContact CB-CD1 4.49Å; A11-L35 HydrophobicContact CB-CD2 4.27Å; I14-L35 HydrophobicContact CD1-CB 3.78Å; I14-L35 HydrophobicContact CD1-CD2 3.35Å; I14-L35 HydrophobicContact CD1-CG 4.2Å; V31-L35 PolarHBondContact O-N 3.16Å; I32-L35 PolarHBondContact O-N 2.9Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-L35 PolarHBondContact O-N 3.01Å; L35-K37 VanDerWaalsContact C-N 3.34Å; L35-K37 PolarHBondContact O-N 3.19Å; L35-C38 WeakPolarHBondContact O-CA 3.28Å; L35-C38 VanDerWaalsContact O-CB 3.27Å; L35-C38 WeakPolarHBondContact O-CB 3.05Å; L35-C38 PolarHBondContact O-N 2.68Å; L35-C39 PolarHBondContact O-N 3.37Å; L35-C39 PolarHBondContact O-SG 2.96Å; L35-V49 HydrophobicContact CD1-CG2 4.04Å; L35-F53 HydrophobicContact CD2-CD2 3.85Å; L35-F53 HydrophobicContact CD2-CE2 3.2Å; L35-F53 HydrophobicContact CD2-CZ 3.68Å; L35-F53 HydrophobicContact CG-CD2 4.37Å; L35-F53 HydrophobicContact CG-CE2 4.1Å |
| 36 | R | 94.9 | Very high | 94.2 | Very high | 79 Ų | 79 | 74.1 Ų | 74.1 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 175.1 | -70.4 | -178.7 | 179.9 | 176.8 | 0.9 | 111.9 | I32 Q33 C38 C39 A40 F53 E56 | I32-R36 PolarHBondContact O-N 3.31Å; Q33-R36 PolarHBondContact O-N 3.1Å; R36-C38 VanDerWaalsContact C-N 3.28Å; R36-C38 PolarHBondContact O-N 3.43Å; R36-C39 PolarHBondContact O-N 3.23Å; R36-C39 VanDerWaalsContact O-N 3.16Å; R36-A40 PolarHBondContact O-N 2.88Å; R36-F53 HydrophobicContact CG-CD1 3.76Å; R36-F53 HydrophobicContact CG-CE1 4.25Å; R36-E56 IonicContact CZ-OE1 3.69Å; R36-E56 IonicContact NH2-OE1 2.68Å; R36-E56 PolarHBondContact NH2-OE1 2.04Å |
| 37 | K | 95 | Very high | 93.9 | Very high | 111 Ų | 111 | 69.9 Ų | 69.9 | 48% | 0.483 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.4 | -36.3 | 173.3 | -70.7 | 174.8 | -165.3 | 168.3 | 0 | 112.4 | Q33 E34 L35 Q41 | Q33-K37 WeakPolarHBondContact O-CG 3.35Å; Q33-K37 PolarHBondContact O-N 3.36Å; E34-K37 PolarHBondContact O-N 3.43Å; E34-K37 WeakPolarHBondContact OE1-CD 3.42Å; E34-K37 WeakPolarHBondContact OE1-CE 3.44Å; E34-K37 IonicContact OE1-NZ 2.7Å; E34-K37 PolarHBondContact OE1-NZ 2.03Å; L35-K37 VanDerWaalsContact C-N 3.34Å; L35-K37 PolarHBondContact O-N 3.19Å; K37-Q41 WeakPolarHBondContact O-CG 3.08Å; K37-Q41 PolarHBondContact O-NE2 3.32Å |
| 38 | C | 95.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.034 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 172.8 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | C7 Q10 E34 L35 R36 A40 Q41 Y42 | C7-C38 WeakPolarHBondContact CA-SG 3.08Å; C7-C38 HydrophobicContact CB-CB 3.95Å; C7-C38 WeakPolarHBondContact CB-SG 3.27Å; C7-C38 WeakPolarHBondContact SG-CB 3.44Å; C7-C38 CovalentContact SG-SG 2.04Å; C7-C38 PolarHBondContact SG-SG 3.27Å; Q10-C38 HydrophobicContact CG-CB 4.43Å; E34-C38 PolarHBondContact O-N 2.93Å; L35-C38 WeakPolarHBondContact O-CA 3.28Å; L35-C38 VanDerWaalsContact O-CB 3.27Å; L35-C38 WeakPolarHBondContact O-CB 3.05Å; L35-C38 PolarHBondContact O-N 2.68Å; R36-C38 VanDerWaalsContact C-N 3.28Å; R36-C38 PolarHBondContact O-N 3.43Å; C38-A40 VanDerWaalsContact C-N 3.31Å; C38-A40 PolarHBondContact O-N 2.64Å; C38-Q41 WeakPolarHBondContact O-CB 3.36Å; C38-Q41 PolarHBondContact O-N 3.28Å; C38-Q41 VanDerWaalsContact O-N 3.1Å; C38-Y42 VanDerWaalsContact O-CD2 3.28Å; C38-Y42 WeakPolarHBondContact O-CD2 3.38Å |
| 39 | C | 95 | Very high | 93.4 | Very high | 4 Ų | 4 | 72 Ų | 72 | 3% | 0.027 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 179.6 | -61.5 | 0 | 0 | 0 | 0 | 113 | L35 R36 Q41 Y42 C50 | L35-C39 PolarHBondContact O-N 3.37Å; L35-C39 PolarHBondContact O-SG 2.96Å; R36-C39 PolarHBondContact O-N 3.23Å; R36-C39 VanDerWaalsContact O-N 3.16Å; C39-Q41 PolarHBondContact O-N 3.45Å; C39-Y42 PolarHBondContact O-N 2.71Å; C39-C50 WeakPolarHBondContact CA-SG 3.42Å; C39-C50 HydrophobicContact CB-CB 3.63Å; C39-C50 WeakPolarHBondContact CB-SG 3.49Å; C39-C50 WeakPolarHBondContact SG-CA 3.37Å; C39-C50 WeakPolarHBondContact SG-CB 2.96Å; C39-C50 CovalentContact SG-SG 2.03Å; C39-C50 PolarHBondContact SG-SG 3.37Å |
| 40 | A | 92.9 | Very high | 93.3 | Very high | 85 Ų | 85 | 69 Ų | 69 | 70% | 0.702 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R36 C38 | R36-A40 PolarHBondContact O-N 2.88Å; C38-A40 VanDerWaalsContact C-N 3.31Å; C38-A40 PolarHBondContact O-N 2.64Å |
| 41 | Q | 94.1 | Very high | 92.9 | Very high | 142 Ų | 142 | 67.8 Ų | 67.8 | 66% | 0.664 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -13.4 | 179.1 | -70.1 | 169.4 | 57.7 | 0 | 0 | 113.4 | K37 C38 C39 | K37-Q41 WeakPolarHBondContact O-CG 3.08Å; K37-Q41 PolarHBondContact O-NE2 3.32Å; C38-Q41 WeakPolarHBondContact O-CB 3.36Å; C38-Q41 PolarHBondContact O-N 3.28Å; C38-Q41 VanDerWaalsContact O-N 3.1Å; C39-Q41 PolarHBondContact O-N 3.45Å |
| 42 | Y | 91.4 | Very high | 92.4 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -121.7 | 152.9 | -174.1 | -64.1 | -73.9 | 0 | 0 | 0 | 111.5 | P6 C38 C39 R46 | P6-Y42 HydrophobicContact CB-CD2 4.21Å; P6-Y42 HydrophobicContact CB-CE1 4.14Å; P6-Y42 HydrophobicContact CB-CE2 3.63Å; P6-Y42 HydrophobicContact CG-CD1 4.43Å; P6-Y42 HydrophobicContact CG-CD2 4.01Å; P6-Y42 HydrophobicContact CG-CE1 4.38Å; P6-Y42 HydrophobicContact CG-CE2 3.96Å; P6-Y42 HydrophobicContact CG-CG 4.26Å; C38-Y42 VanDerWaalsContact O-CD2 3.28Å; C38-Y42 WeakPolarHBondContact O-CD2 3.38Å; C39-Y42 PolarHBondContact O-N 2.71Å; Y42-R46 HydrophobicContact CD1-CG 4.05Å; Y42-R46 HydrophobicContact CG-CG 4.17Å |
| 43 | P | 89.4 | Confident | 91.9 | Very high | 100 Ų | 100 | 69.9 Ų | 69.9 | 65% | 0.649 | 38% | 0.379 | S | S | * | . | trans | -64 | 149.8 | 172.5 | 25.8 | -31.7 | 0 | 0 | 0 | 110.9 | G45 R46 | P43-G45 PolarHBondContact O-N 3.24Å; P43-R46 HydrophobicContact CG-CB 4.14Å; P43-R46 WeakPolarHBondContact O-CB 3.09Å; P43-R46 PolarHBondContact O-N 3.19Å | ||
| 44 | K | 87.2 | Confident | 91.3 | Very high | 144 Ų | 144 | 66 Ų | 66 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 135.2 | 179 | -54.1 | -94.9 | 141.3 | -140.8 | 0 | 110.1 | R46 E54 | K44-R46 VanDerWaalsContact C-N 3.26Å; K44-R46 PolarHBondContact O-N 3.36Å; K44-E54 WeakPolarHBondContact CA-OE1 3.29Å; K44-E54 HydrophobicContact CD-CB 4.24Å; K44-E54 VanDerWaalsContact CD-CD 3.5Å; K44-E54 HydrophobicContact CD-CG 4.13Å; K44-E54 WeakPolarHBondContact CD-OE1 3.25Å; K44-E54 VanDerWaalsContact CE-OE1 3.23Å; K44-E54 WeakPolarHBondContact CE-OE1 3.29Å; K44-E54 VanDerWaalsContact NZ-CD 3.33Å; K44-E54 IonicContact NZ-OE1 2.79Å; K44-E54 PolarHBondContact NZ-OE1 3.41Å |
| 45 | G | 85.8 | Confident | 90.5 | Very high | 56 Ų | 56 | 68.9 Ų | 68.9 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | -0.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | P43 S47 | P43-G45 PolarHBondContact O-N 3.24Å; G45-S47 VanDerWaalsContact C-N 3.26Å; G45-S47 PolarHBondContact O-N 2.96Å |
| 46 | R | 89.8 | Confident | 89.7 | Confident | 144 Ų | 144 | 72.5 Ų | 72.5 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -67 | -30.2 | 170.2 | 178.2 | 57.3 | 178.8 | -175.6 | 0.8 | 112.7 | P6 Y42 P43 K44 | P6-R46 HydrophobicContact CG-CG 4.25Å; Y42-R46 HydrophobicContact CD1-CG 4.05Å; Y42-R46 HydrophobicContact CG-CG 4.17Å; P43-R46 HydrophobicContact CG-CB 4.14Å; P43-R46 WeakPolarHBondContact O-CB 3.09Å; P43-R46 PolarHBondContact O-N 3.19Å; K44-R46 VanDerWaalsContact C-N 3.26Å; K44-R46 PolarHBondContact O-N 3.36Å |
| 47 | S | 91.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.014 | 39% | 0.392 | C | S | . | . | trans | -123.8 | 126.8 | 178.5 | 169.1 | 0 | 0 | 0 | 0 | 108.7 | D5 G45 V49 C50 S51 | D5-S47 WeakPolarHBondContact OD1-CB 3.46Å; D5-S47 PolarHBondContact OD1-OG 3.25Å; D5-S47 VanDerWaalsContact OD2-CA 3.29Å; D5-S47 WeakPolarHBondContact OD2-CA 3.29Å; D5-S47 PolarHBondContact OD2-OG 3.22Å; G45-S47 VanDerWaalsContact C-N 3.26Å; G45-S47 PolarHBondContact O-N 2.96Å; S47-V49 VanDerWaalsContact C-N 3.3Å; S47-V49 WeakPolarHBondContact OG-CG2 3.3Å; S47-V49 PolarHBondContact OG-N 3.11Å; S47-C50 VanDerWaalsContact CB-SG 3.53Å; S47-C50 PolarHBondContact O-N 3.49Å; S47-C50 PolarHBondContact OG-N 2.95Å; S47-C50 PolarHBondContact OG-SG 3.36Å; S47-C50 VanDerWaalsContact OG-SG 3.36Å; S47-S51 PolarHBondContact O-N 3.35Å; S47-S51 PolarHBondContact O-OG 3.49Å | ||
| 48 | V | 91.9 | Very high | 88.1 | Confident | 121 Ų | 121 | 74 Ų | 74 | 73% | 0.733 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -37.5 | 176.3 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | D5 C50 S51 | D5-V48 PolarHBondContact OD2-N 3.5Å; V48-C50 PolarHBondContact O-N 3.27Å; V48-S51 WeakPolarHBondContact O-CB 3.5Å; V48-S51 PolarHBondContact O-N 3.43Å |
| 49 | V | 92.9 | Very high | 87.4 | Confident | 45 Ų | 45 | 79.8 Ų | 79.8 | 27% | 0.273 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -28.1 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | D5 C7 A11 L35 S47 | D5-V49 PolarHBondContact OD2-N 2.95Å; C7-V49 HydrophobicContact CB-CG2 3.64Å; A11-V49 HydrophobicContact CB-CB 3.93Å; A11-V49 HydrophobicContact CB-CG1 3.75Å; A11-V49 HydrophobicContact CB-CG2 4.1Å; L35-V49 HydrophobicContact CD1-CG2 4.04Å; S47-V49 VanDerWaalsContact C-N 3.3Å; S47-V49 WeakPolarHBondContact OG-CG2 3.3Å; S47-V49 PolarHBondContact OG-N 3.11Å |
| 50 | C | 93.9 | Very high | 86.6 | Confident | 3 Ų | 3 | 83.2 Ų | 83.2 | 2% | 0.02 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -72.8 | -31.5 | 176.1 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | C7 C39 S47 V48 G52 F53 E54 | C7-C50 VanDerWaalsContact SG-SG 3.69Å; C39-C50 WeakPolarHBondContact CA-SG 3.42Å; C39-C50 HydrophobicContact CB-CB 3.63Å; C39-C50 WeakPolarHBondContact CB-SG 3.49Å; C39-C50 WeakPolarHBondContact SG-CA 3.37Å; C39-C50 WeakPolarHBondContact SG-CB 2.96Å; C39-C50 CovalentContact SG-SG 2.03Å; C39-C50 PolarHBondContact SG-SG 3.37Å; S47-C50 VanDerWaalsContact CB-SG 3.53Å; S47-C50 PolarHBondContact O-N 3.49Å; S47-C50 PolarHBondContact OG-N 2.95Å; S47-C50 PolarHBondContact OG-SG 3.36Å; S47-C50 VanDerWaalsContact OG-SG 3.36Å; V48-C50 PolarHBondContact O-N 3.27Å; C50-G52 PolarHBondContact O-N 3.01Å; C50-F53 WeakPolarHBondContact O-CA 2.98Å; C50-F53 WeakPolarHBondContact O-CB 3.28Å; C50-F53 PolarHBondContact O-N 3.34Å; C50-E54 HydrophobicContact CB-CG 4.46Å; C50-E54 VanDerWaalsContact O-CG 3.28Å; C50-E54 WeakPolarHBondContact O-CG 3.49Å; C50-E54 PolarHBondContact O-N 2.85Å |
| 51 | S | 88.7 | Confident | 85.9 | Confident | 44 Ų | 44 | 84.5 Ų | 84.5 | 31% | 0.308 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.6 | -25.6 | -174.9 | -54.6 | 0 | 0 | 0 | 0 | 114.4 | S47 V48 K55 | S47-S51 PolarHBondContact O-N 3.35Å; S47-S51 PolarHBondContact O-OG 3.49Å; V48-S51 WeakPolarHBondContact O-CB 3.5Å; V48-S51 PolarHBondContact O-N 3.43Å; S51-K55 WeakPolarHBondContact O-CG 3.49Å |
| 52 | G | 85.4 | Confident | 85.2 | Confident | 51 Ų | 51 | 81.6 Ų | 81.6 | 53% | 0.526 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.7 | -44.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C50 E56 | C50-G52 PolarHBondContact O-N 3.01Å; G52-E56 PolarHBondContact O-N 3.3Å |
| 53 | F | 85.9 | Confident | 84.4 | Confident | 41 Ų | 41 | 82.4 Ų | 82.4 | 18% | 0.18 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 179.8 | -75.5 | -86 | 0 | 0 | 0 | 112.8 | I14 I32 L35 R36 C50 K55 E56 E57 | I14-F53 HydrophobicContact CD1-CZ 4.36Å; I32-F53 HydrophobicContact CG2-CE1 3.79Å; I32-F53 HydrophobicContact CG2-CZ 4.35Å; L35-F53 HydrophobicContact CD2-CD2 3.85Å; L35-F53 HydrophobicContact CD2-CE2 3.2Å; L35-F53 HydrophobicContact CD2-CZ 3.68Å; L35-F53 HydrophobicContact CG-CD2 4.37Å; L35-F53 HydrophobicContact CG-CE2 4.1Å; R36-F53 HydrophobicContact CG-CD1 3.76Å; R36-F53 HydrophobicContact CG-CE1 4.25Å; C50-F53 WeakPolarHBondContact O-CA 2.98Å; C50-F53 WeakPolarHBondContact O-CB 3.28Å; C50-F53 PolarHBondContact O-N 3.34Å; F53-K55 VanDerWaalsContact C-N 3.27Å; F53-K55 PolarHBondContact O-N 2.97Å; F53-E56 PolarHBondContact O-N 3.25Å; F53-E57 PolarHBondContact O-N 3.39Å |
| 54 | E | 83.4 | Confident | 83.5 | Confident | 22 Ų | 22 | 84.9 Ų | 84.9 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.4 | -35.1 | -177.7 | -61 | -177.9 | 125.4 | 0 | 0 | 111.9 | K44 C50 E58 | K44-E54 WeakPolarHBondContact CA-OE1 3.29Å; K44-E54 HydrophobicContact CD-CB 4.24Å; K44-E54 VanDerWaalsContact CD-CD 3.5Å; K44-E54 HydrophobicContact CD-CG 4.13Å; K44-E54 WeakPolarHBondContact CD-OE1 3.25Å; K44-E54 VanDerWaalsContact CE-OE1 3.23Å; K44-E54 WeakPolarHBondContact CE-OE1 3.29Å; K44-E54 VanDerWaalsContact NZ-CD 3.33Å; K44-E54 IonicContact NZ-OE1 2.79Å; K44-E54 PolarHBondContact NZ-OE1 3.41Å; C50-E54 HydrophobicContact CB-CG 4.46Å; C50-E54 VanDerWaalsContact O-CG 3.28Å; C50-E54 WeakPolarHBondContact O-CG 3.49Å; C50-E54 PolarHBondContact O-N 2.85Å; E54-E58 PolarHBondContact O-N 3.32Å |
| 55 | K | 80 | Confident | 82.7 | Confident | 154 Ų | 154 | 82.2 Ų | 82.2 | 67% | 0.67 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.2 | -42 | 174.6 | -67.8 | 178.1 | -179.1 | -176.3 | 0 | 112.1 | S51 F53 E58 E59 | S51-K55 WeakPolarHBondContact O-CG 3.49Å; F53-K55 VanDerWaalsContact C-N 3.27Å; F53-K55 PolarHBondContact O-N 2.97Å; K55-E58 PolarHBondContact O-N 3.44Å; K55-E59 PolarHBondContact O-N 2.79Å |
| 56 | E | 79.6 | Confident | 81.6 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 36% | 0.364 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 178.3 | -176.9 | -173.2 | 90.9 | 0 | 0 | 112.1 | R36 G52 F53 E59 N60 | R36-E56 IonicContact CZ-OE1 3.69Å; R36-E56 IonicContact NH2-OE1 2.68Å; R36-E56 PolarHBondContact NH2-OE1 2.04Å; G52-E56 PolarHBondContact O-N 3.3Å; F53-E56 PolarHBondContact O-N 3.25Å; E56-E59 PolarHBondContact O-N 2.67Å; E56-N60 WeakPolarHBondContact O-CB 3.36Å; E56-N60 PolarHBondContact O-N 3.01Å; E56-N60 PolarHBondContact O-ND2 2.97Å; E56-N60 VanDerWaalsContact O-ND2 3.11Å |
| 57 | E | 78.1 | Confident | 80.3 | Confident | 81 Ų | 81 | 82.3 Ų | 82.3 | 38% | 0.379 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.5 | -75.6 | -171.5 | 94.8 | 0 | 0 | 111.7 | F53 N60 L61 | F53-E57 PolarHBondContact O-N 3.39Å; E57-N60 PolarHBondContact O-N 3.34Å; E57-L61 VanDerWaalsContact O-CG 3.25Å; E57-L61 WeakPolarHBondContact O-CG 3.07Å; E57-L61 PolarHBondContact O-N 3.32Å |
| 58 | E | 78.2 | Confident | 78.4 | Confident | 140 Ų | 140 | 94 Ų | 94 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -43.2 | 176.1 | -170.8 | 171.2 | 93.8 | 0 | 0 | 111.9 | E54 K55 L61 T62 | E54-E58 PolarHBondContact O-N 3.32Å; K55-E58 PolarHBondContact O-N 3.44Å; E58-L61 PolarHBondContact O-N 3.28Å; E58-T62 WeakPolarHBondContact O-CG2 3.42Å; E58-T62 PolarHBondContact O-N 3.21Å; E58-T62 PolarHBondContact O-OG1 3.02Å |
| 59 | E | 79.9 | Confident | 77.7 | Confident | 127 Ų | 127 | 92.6 Ų | 92.6 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 175.7 | -164.3 | 176.8 | 97.9 | 0 | 0 | 111.7 | K55 E56 L61 T62 L63 | K55-E59 PolarHBondContact O-N 2.79Å; E56-E59 PolarHBondContact O-N 2.67Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 2.98Å; E59-T62 WeakPolarHBondContact CA-OG1 3.47Å; E59-T62 PolarHBondContact O-N 3.13Å; E59-T62 PolarHBondContact O-OG1 3.24Å; E59-L63 HydrophobicContact CG-CD1 4.13Å; E59-L63 WeakPolarHBondContact O-CB 3.4Å; E59-L63 WeakPolarHBondContact O-CG 3.39Å; E59-L63 PolarHBondContact O-N 3.48Å |
| 60 | N | 79.2 | Confident | 76.9 | Confident | 77 Ų | 77 | 95.1 Ų | 95.1 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 175.1 | -95.9 | -78.7 | 0 | 0 | 0 | 113.1 | E56 E57 K64 | E56-N60 WeakPolarHBondContact O-CB 3.36Å; E56-N60 PolarHBondContact O-N 3.01Å; E56-N60 PolarHBondContact O-ND2 2.97Å; E56-N60 VanDerWaalsContact O-ND2 3.11Å; E57-N60 PolarHBondContact O-N 3.34Å; N60-K64 WeakPolarHBondContact O-CB 3.32Å; N60-K64 VanDerWaalsContact O-CG 3.29Å; N60-K64 WeakPolarHBondContact O-CG 3.43Å; N60-K64 PolarHBondContact O-N 2.95Å; N60-K64 VanDerWaalsContact O-N 3.13Å |
| 61 | L | 78.4 | Confident | 76 | Confident | 112 Ų | 112 | 100.2 Ų | 100.2 | 59% | 0.586 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.4 | -43 | 176.3 | -72 | 167.1 | 0 | 0 | 0 | 111.3 | E57 E58 E59 K64 S65 | E57-L61 VanDerWaalsContact O-CG 3.25Å; E57-L61 WeakPolarHBondContact O-CG 3.07Å; E57-L61 PolarHBondContact O-N 3.32Å; E58-L61 PolarHBondContact O-N 3.28Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 2.98Å; L61-K64 PolarHBondContact O-N 3.39Å; L61-S65 WeakPolarHBondContact O-CB 3.23Å; L61-S65 PolarHBondContact O-N 3.38Å; L61-S65 PolarHBondContact O-OG 2.98Å |
| 62 | T | 78.3 | Confident | 75.2 | Confident | 81 Ų | 81 | 103.5 Ų | 103.5 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -42 | 178.4 | 54.3 | 0 | 0 | 0 | 0 | 112 | E58 E59 K64 S65 A66 | E58-T62 WeakPolarHBondContact O-CG2 3.42Å; E58-T62 PolarHBondContact O-N 3.21Å; E58-T62 PolarHBondContact O-OG1 3.02Å; E59-T62 WeakPolarHBondContact CA-OG1 3.47Å; E59-T62 PolarHBondContact O-N 3.13Å; E59-T62 PolarHBondContact O-OG1 3.24Å; T62-K64 PolarHBondContact O-N 2.86Å; T62-S65 WeakPolarHBondContact O-CB 3.47Å; T62-S65 PolarHBondContact O-N 3.05Å; T62-A66 PolarHBondContact O-N 3.19Å |
| 63 | L | 74.6 | Confident | 74.6 | Confident | 107 Ų | 107 | 106.8 Ų | 106.8 | 56% | 0.56 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.7 | -42.1 | 174.4 | -73.5 | 165.9 | 0 | 0 | 0 | 112.6 | E59 S65 A66 S67 | E59-L63 HydrophobicContact CG-CD1 4.13Å; E59-L63 WeakPolarHBondContact O-CB 3.4Å; E59-L63 WeakPolarHBondContact O-CG 3.39Å; E59-L63 PolarHBondContact O-N 3.48Å; L63-S65 VanDerWaalsContact C-N 3.29Å; L63-S65 PolarHBondContact O-N 3.39Å; L63-A66 PolarHBondContact O-N 3.44Å; L63-S67 PolarHBondContact O-N 3.37Å |
| 64 | K | 71.3 | Confident | 73.9 | Confident | 152 Ų | 152 | 111.2 Ų | 111.2 | 66% | 0.661 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.2 | -31.9 | 175.4 | -77.9 | 176.1 | 179.3 | 178.1 | 0 | 113 | N60 L61 T62 | N60-K64 WeakPolarHBondContact O-CB 3.32Å; N60-K64 VanDerWaalsContact O-CG 3.29Å; N60-K64 WeakPolarHBondContact O-CG 3.43Å; N60-K64 PolarHBondContact O-N 2.95Å; N60-K64 VanDerWaalsContact O-N 3.13Å; L61-K64 PolarHBondContact O-N 3.39Å; T62-K64 PolarHBondContact O-N 2.86Å |
| 65 | S | 69.6 | Low | 73.2 | Confident | 89 Ų | 89 | 117.6 Ų | 117.6 | 62% | 0.622 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.2 | -33.4 | 178.4 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | L61 T62 L63 | L61-S65 WeakPolarHBondContact O-CB 3.23Å; L61-S65 PolarHBondContact O-N 3.38Å; L61-S65 PolarHBondContact O-OG 2.98Å; T62-S65 WeakPolarHBondContact O-CB 3.47Å; T62-S65 PolarHBondContact O-N 3.05Å; L63-S65 VanDerWaalsContact C-N 3.29Å; L63-S65 PolarHBondContact O-N 3.39Å |
| 66 | A | 63.7 | Low | 72.7 | Confident | 88 Ų | 88 | 114.8 Ų | 114.8 | 73% | 0.727 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -81.7 | -13.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T62 L63 | T62-A66 PolarHBondContact O-N 3.19Å; L63-A66 PolarHBondContact O-N 3.44Å |
| 67 | S | 62.1 | Low | 72.1 | Confident | 113 Ų | 113 | 117.8 Ų | 117.8 | 79% | 0.79 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 6 | 179.9 | -148.6 | 0 | 0 | 0 | 0 | 113.3 | L63 | L63-S67 PolarHBondContact O-N 3.37Š|
| 68 | K | 51.9 | Low | 71.5 | Confident | 247 Ų | 247 | 121.2 Ų | 121.2 | 100% | 1.074 | 65% | 0.653 | S | S | * | * | trans | -107.3 | 0 | -179.3 | -162.7 | -175.6 | -179.6 | -167.7 | 0 | 112.1 |
Retrieved 68 of 68 residues in 13.9 ms
(Link to these results)