| 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 | 69.9 | Low | 76.2 | Confident | 205 Ų | 205 | 131 Ų | 131 | 100% | 1.01 | 67% | 0.667 | S | S | * | * | 0 | -62.2 | 0 | -66.5 | -62.4 | 180 | 0 | 0 | 111.7 | S3 R4 M5 | M1-S3 PolarHBondContact O-N 3.3Å; M1-R4 PolarHBondContact O-N 3.08Å; M1-R4 VanDerWaalsContact O-N 3.12Å; M1-M5 PolarHBondContact O-N 3.01Å; M1-M5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | L | 72.4 | Confident | 76.3 | Confident | 136 Ų | 136 | 125 Ų | 125 | 71% | 0.712 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -57.5 | -46 | -178.1 | -125.3 | 85.7 | 0 | 0 | 0 | 114.6 | R4 M5 L6 | L2-R4 PolarHBondContact O-N 3.28Å; L2-M5 PolarHBondContact O-N 3.11Å; L2-L6 WeakPolarHBondContact O-CB 3.38Å; L2-L6 WeakPolarHBondContact O-CG 3.32Å; L2-L6 PolarHBondContact O-N 3.41Å |
| 3 | S | 75.3 | Confident | 75.9 | Confident | 97 Ų | 97 | 124.5 Ų | 124.5 | 68% | 0.678 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -59 | -34.8 | 178.3 | 166.2 | 0 | 0 | 0 | 0 | 112.4 | M1 A7 | M1-S3 PolarHBondContact O-N 3.3Å; S3-A7 WeakPolarHBondContact O-CB 3.4Å; S3-A7 PolarHBondContact O-N 2.89Å |
| 4 | R | 80.1 | Confident | 75.8 | Confident | 213 Ų | 213 | 125.9 Ų | 125.9 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.4 | -36.2 | 178.5 | -163.4 | 159.7 | -178.9 | 150.5 | -3 | 112.1 | M1 L2 Y8 | M1-R4 PolarHBondContact O-N 3.08Å; M1-R4 VanDerWaalsContact O-N 3.12Å; L2-R4 PolarHBondContact O-N 3.28Å; R4-Y8 WeakPolarHBondContact O-CB 3.45Å; R4-Y8 PolarHBondContact O-N 2.76Å |
| 5 | M | 75.9 | Confident | 75.7 | Confident | 129 Ų | 129 | 120.7 Ų | 120.7 | 64% | 0.635 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65 | -44.9 | 170.3 | -71.6 | -165.3 | 88.8 | 0 | 0 | 111.5 | M1 L2 A7 Y8 L9 | M1-M5 PolarHBondContact O-N 3.01Å; M1-M5 VanDerWaalsContact O-N 3.09Å; L2-M5 PolarHBondContact O-N 3.11Å; M5-A7 VanDerWaalsContact C-N 3.35Å; M5-A7 PolarHBondContact O-N 2.69Å; M5-Y8 WeakPolarHBondContact O-CB 3.36Å; M5-Y8 PolarHBondContact O-N 2.71Å; M5-Y8 VanDerWaalsContact O-N 3.13Å; M5-L9 VanDerWaalsContact O-CG 3.26Å; M5-L9 WeakPolarHBondContact O-CG 3.42Å; M5-L9 PolarHBondContact O-N 2.89Å |
| 6 | L | 76.6 | Confident | 75.5 | Confident | 100 Ų | 100 | 117.6 Ų | 117.6 | 52% | 0.524 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.6 | -44.7 | 175.9 | -75.6 | 169.2 | 0 | 0 | 0 | 111.3 | L2 Y8 L9 V10 | L2-L6 WeakPolarHBondContact O-CB 3.38Å; L2-L6 WeakPolarHBondContact O-CG 3.32Å; L2-L6 PolarHBondContact O-N 3.41Å; L6-Y8 VanDerWaalsContact C-N 3.26Å; L6-Y8 PolarHBondContact O-N 3.3Å; L6-L9 PolarHBondContact O-N 3.11Å; L6-V10 WeakPolarHBondContact O-CB 3.43Å; L6-V10 VanDerWaalsContact O-CG2 3.22Å; L6-V10 WeakPolarHBondContact O-CG2 3.39Å; L6-V10 PolarHBondContact O-N 3.04Å |
| 7 | A | 77.4 | Confident | 75.1 | Confident | 58 Ų | 58 | 116.6 Ų | 116.6 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -58.9 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S3 M5 N11 | S3-A7 WeakPolarHBondContact O-CB 3.4Å; S3-A7 PolarHBondContact O-N 2.89Å; M5-A7 VanDerWaalsContact C-N 3.35Å; M5-A7 PolarHBondContact O-N 2.69Å; A7-N11 VanDerWaalsContact O-CB 3.24Å; A7-N11 WeakPolarHBondContact O-CB 2.94Å; A7-N11 PolarHBondContact O-N 3.48Å |
| 8 | Y | 79 | Confident | 75.1 | Confident | 181 Ų | 181 | 117.6 Ų | 117.6 | 71% | 0.71 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.4 | -41 | 177.6 | -156.6 | -93.2 | 0 | 0 | 0 | 112.8 | R4 M5 L6 N11 N12 | R4-Y8 WeakPolarHBondContact O-CB 3.45Å; R4-Y8 PolarHBondContact O-N 2.76Å; M5-Y8 WeakPolarHBondContact O-CB 3.36Å; M5-Y8 PolarHBondContact O-N 2.71Å; M5-Y8 VanDerWaalsContact O-N 3.13Å; L6-Y8 VanDerWaalsContact C-N 3.26Å; L6-Y8 PolarHBondContact O-N 3.3Å; Y8-N11 PolarHBondContact O-N 3.1Å; Y8-N12 PolarHBondContact O-N 3.24Å |
| 9 | L | 73 | Confident | 74.8 | Confident | 68 Ų | 68 | 115.2 Ų | 115.2 | 36% | 0.356 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.7 | -39.1 | 176.8 | -66.6 | 167.8 | 0 | 0 | 0 | 111.7 | M5 L6 N11 N12 V15 I16 | M5-L9 VanDerWaalsContact O-CG 3.26Å; M5-L9 WeakPolarHBondContact O-CG 3.42Å; M5-L9 PolarHBondContact O-N 2.89Å; L6-L9 PolarHBondContact O-N 3.11Å; L9-N11 VanDerWaalsContact C-N 3.32Å; L9-N12 PolarHBondContact O-N 2.91Å; L9-V15 HydrophobicContact CD2-CG1 3.57Å; L9-I16 WeakPolarHBondContact O-CG1 3.45Å |
| 10 | V | 78.1 | Confident | 74.6 | Confident | 105 Ų | 105 | 112.1 Ų | 112.1 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.3 | -24.9 | 177.6 | 173.5 | 0 | 0 | 0 | 0 | 112 | L6 N12 I16 | L6-V10 WeakPolarHBondContact O-CB 3.43Å; L6-V10 VanDerWaalsContact O-CG2 3.22Å; L6-V10 WeakPolarHBondContact O-CG2 3.39Å; L6-V10 PolarHBondContact O-N 3.04Å; V10-N12 VanDerWaalsContact C-N 3.29Å; V10-I16 WeakPolarHBondContact O-CD1 3.23Å |
| 11 | N | 80.5 | Confident | 74.7 | Confident | 149 Ų | 149 | 112 Ų | 112 | 80% | 0.797 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 2.7 | 178.2 | -149.5 | -3.3 | 0 | 0 | 0 | 112.9 | A7 Y8 L9 | A7-N11 VanDerWaalsContact O-CB 3.24Å; A7-N11 WeakPolarHBondContact O-CB 2.94Å; A7-N11 PolarHBondContact O-N 3.48Å; Y8-N11 PolarHBondContact O-N 3.1Å; L9-N11 VanDerWaalsContact C-N 3.32Å |
| 12 | N | 77.2 | Confident | 75.1 | Confident | 59 Ų | 59 | 104 Ų | 104 | 32% | 0.316 | 54% | 0.535 | S | S | . | . | trans | -120.6 | 106 | 177.2 | -167.4 | -51.5 | 0 | 0 | 0 | 111.1 | Y8 L9 V10 Q14 V15 I16 | Y8-N12 PolarHBondContact O-N 3.24Å; L9-N12 PolarHBondContact O-N 2.91Å; V10-N12 VanDerWaalsContact C-N 3.29Å; N12-Q14 VanDerWaalsContact C-N 3.35Å; N12-Q14 PolarHBondContact O-N 3.31Å; N12-Q14 PolarHBondContact OD1-N 3.03Å; N12-V15 HydrophobicContact CB-CB 4.25Å; N12-V15 HydrophobicContact CB-CG2 4.02Å; N12-V15 PolarHBondContact O-N 3.03Å; N12-V15 PolarHBondContact OD1-N 3.13Å; N12-I16 WeakPolarHBondContact O-CG1 3.36Å; N12-I16 PolarHBondContact O-N 3.38Å; N12-I16 VanDerWaalsContact O-N 3.16Å | ||
| 13 | L | 72.1 | Confident | 75.2 | Confident | 118 Ų | 118 | 107.7 Ų | 107.7 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.3 | -41.8 | -175.8 | -176.7 | 62.9 | 0 | 0 | 0 | 113.2 | V15 I16 E17 | L13-V15 VanDerWaalsContact C-N 3.28Å; L13-V15 PolarHBondContact O-N 2.78Å; L13-I16 WeakPolarHBondContact O-CB 3.35Å; L13-I16 PolarHBondContact O-N 2.92Å; L13-I16 VanDerWaalsContact O-N 3.17Å; L13-E17 WeakPolarHBondContact O-CG 3.41Å; L13-E17 PolarHBondContact O-N 2.7Å |
| 14 | Q | 73.4 | Confident | 75.4 | Confident | 144 Ų | 144 | 107.6 Ų | 107.6 | 67% | 0.673 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.2 | -35.3 | -179.6 | -72.3 | -180 | -39.4 | 0 | 0 | 112.1 | N12 E17 K18 | N12-Q14 VanDerWaalsContact C-N 3.35Å; N12-Q14 PolarHBondContact O-N 3.31Å; N12-Q14 PolarHBondContact OD1-N 3.03Å; Q14-E17 PolarHBondContact O-N 2.83Å; Q14-K18 VanDerWaalsContact O-CG 3.28Å; Q14-K18 WeakPolarHBondContact O-CG 3.34Å; Q14-K18 PolarHBondContact O-N 3.48Å; Q14-K18 VanDerWaalsContact O-N 3.1Å |
| 15 | V | 74.3 | Confident | 75.4 | Confident | 48 Ų | 48 | 100.6 Ų | 100.6 | 29% | 0.291 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.6 | -41.1 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | L9 N12 L13 E17 K18 L19 | L9-V15 HydrophobicContact CD2-CG1 3.57Å; N12-V15 HydrophobicContact CB-CB 4.25Å; N12-V15 HydrophobicContact CB-CG2 4.02Å; N12-V15 PolarHBondContact O-N 3.03Å; N12-V15 PolarHBondContact OD1-N 3.13Å; L13-V15 VanDerWaalsContact C-N 3.28Å; L13-V15 PolarHBondContact O-N 2.78Å; V15-E17 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 3.35Å; V15-K18 PolarHBondContact O-N 2.89Å; V15-L19 HydrophobicContact CG1-CD1 3.83Å; V15-L19 HydrophobicContact CG1-CG 4.2Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 WeakPolarHBondContact O-CG 3.35Å; V15-L19 PolarHBondContact O-N 3.3Å |
| 16 | I | 72.6 | Confident | 75.2 | Confident | 71 Ų | 71 | 101 Ų | 101 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 175.1 | -62.1 | 166.2 | 0 | 0 | 0 | 110.9 | L9 V10 N12 L13 L19 A20 | L9-I16 WeakPolarHBondContact O-CG1 3.45Å; V10-I16 WeakPolarHBondContact O-CD1 3.23Å; N12-I16 WeakPolarHBondContact O-CG1 3.36Å; N12-I16 PolarHBondContact O-N 3.38Å; N12-I16 VanDerWaalsContact O-N 3.16Å; L13-I16 WeakPolarHBondContact O-CB 3.35Å; L13-I16 PolarHBondContact O-N 2.92Å; L13-I16 VanDerWaalsContact O-N 3.17Å; I16-L19 CarbonylContact O-C 3.42Å; I16-L19 WeakPolarHBondContact O-CB 3.41Å; I16-L19 PolarHBondContact O-N 3.2Å; I16-A20 WeakPolarHBondContact O-CB 3.29Å; I16-A20 PolarHBondContact O-N 3.31Å |
| 17 | E | 69.1 | Low | 75.4 | Confident | 102 Ų | 102 | 104.3 Ų | 104.3 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 177.8 | -74.6 | 175.2 | 167.1 | 0 | 0 | 111.6 | L13 Q14 V15 L19 A20 E21 | L13-E17 WeakPolarHBondContact O-CG 3.41Å; L13-E17 PolarHBondContact O-N 2.7Å; Q14-E17 PolarHBondContact O-N 2.83Å; V15-E17 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 3.35Å; E17-L19 VanDerWaalsContact C-N 3.29Å; E17-L19 PolarHBondContact O-N 3.48Å; E17-A20 PolarHBondContact O-N 3.36Å; E17-E21 WeakPolarHBondContact O-CG 3.5Å; E17-E21 PolarHBondContact O-N 3.44Å |
| 18 | K | 74.6 | Confident | 75.5 | Confident | 134 Ų | 134 | 103.9 Ų | 103.9 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -35.8 | 177 | -68.1 | -73 | 151.4 | -146.8 | 0 | 112.5 | Q14 V15 E21 S22 | Q14-K18 VanDerWaalsContact O-CG 3.28Å; Q14-K18 WeakPolarHBondContact O-CG 3.34Å; Q14-K18 PolarHBondContact O-N 3.48Å; Q14-K18 VanDerWaalsContact O-N 3.1Å; V15-K18 PolarHBondContact O-N 2.89Å; K18-E21 IonicContact NZ-OE1 2.86Å; K18-E21 IonicContact NZ-OE2 3.51Å; K18-E21 PolarHBondContact NZ-OE2 2.9Å; K18-S22 PolarHBondContact O-N 3.49Å |
| 19 | L | 70.4 | Confident | 75.5 | Confident | 71 Ų | 71 | 98 Ų | 98 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 173.6 | -81.4 | 179.7 | 0 | 0 | 0 | 111.2 | V15 I16 E17 E21 S22 I25 | V15-L19 HydrophobicContact CG1-CD1 3.83Å; V15-L19 HydrophobicContact CG1-CG 4.2Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 WeakPolarHBondContact O-CG 3.35Å; V15-L19 PolarHBondContact O-N 3.3Å; I16-L19 CarbonylContact O-C 3.42Å; I16-L19 WeakPolarHBondContact O-CB 3.41Å; I16-L19 PolarHBondContact O-N 3.2Å; E17-L19 VanDerWaalsContact C-N 3.29Å; E17-L19 PolarHBondContact O-N 3.48Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 PolarHBondContact O-N 3.11Å; L19-S22 WeakPolarHBondContact O-CB 3.44Å; L19-S22 PolarHBondContact O-N 2.78Å; L19-S22 PolarHBondContact O-OG 2.95Å; L19-I25 VanDerWaalsContact C-CD1 3.48Å; L19-I25 HydrophobicContact CB-CD1 3.41Å; L19-I25 VanDerWaalsContact CB-CD1 3.41Å; L19-I25 HydrophobicContact CD1-CD1 4.48Å; L19-I25 HydrophobicContact CD2-CD1 3.91Å; L19-I25 HydrophobicContact CG-CD1 4.11Å; L19-I25 VanDerWaalsContact O-CB 3.29Å; L19-I25 WeakPolarHBondContact O-CB 3.31Å; L19-I25 WeakPolarHBondContact O-CD1 3.45Å |
| 20 | A | 69.8 | Low | 75.9 | Confident | 53 Ų | 53 | 99.4 Ų | 99.4 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -33.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I16 E17 S22 | I16-A20 WeakPolarHBondContact O-CB 3.29Å; I16-A20 PolarHBondContact O-N 3.31Å; E17-A20 PolarHBondContact O-N 3.36Å; A20-S22 PolarHBondContact O-N 3.46Å |
| 21 | E | 76.2 | Confident | 76.1 | Confident | 112 Ų | 112 | 100.1 Ų | 100.1 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -27.7 | 171.7 | -74.5 | 175.8 | 169.8 | 0 | 0 | 112.2 | E17 K18 L19 R26 | E17-E21 WeakPolarHBondContact O-CG 3.5Å; E17-E21 PolarHBondContact O-N 3.44Å; K18-E21 IonicContact NZ-OE1 2.86Å; K18-E21 IonicContact NZ-OE2 3.51Å; K18-E21 PolarHBondContact NZ-OE2 2.9Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 PolarHBondContact O-N 3.11Å; E21-R26 PolarHBondContact O-NH2 3.09Å |
| 22 | S | 80.1 | Confident | 76.1 | Confident | 35 Ų | 35 | 97.4 Ų | 97.4 | 25% | 0.245 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -63.8 | 145.4 | -178.6 | 84.7 | 0 | 0 | 0 | 0 | 113.1 | K18 L19 A20 I25 R26 | K18-S22 PolarHBondContact O-N 3.49Å; L19-S22 WeakPolarHBondContact O-CB 3.44Å; L19-S22 PolarHBondContact O-N 2.78Å; L19-S22 PolarHBondContact O-OG 2.95Å; A20-S22 PolarHBondContact O-N 3.46Å; S22-I25 PolarHBondContact O-N 3.36Å; S22-R26 PolarHBondContact O-N 2.98Å |
| 23 | R | 74.1 | Confident | 76.4 | Confident | 215 Ų | 215 | 97.2 Ų | 97.2 | 81% | 0.811 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.4 | -41.8 | 177.9 | -64.5 | -176 | 177.6 | -165.2 | -0.6 | 113.3 | I25 R26 R27 | R23-I25 PolarHBondContact O-N 3.27Å; R23-R26 PolarHBondContact O-N 3.43Å; R23-R27 WeakPolarHBondContact O-CG 3.38Å; R23-R27 PolarHBondContact O-N 2.99Å |
| 24 | P | 79.4 | Confident | 76.9 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | -179.4 | -25.1 | 35.5 | 0 | 0 | 0 | 113.8 | R27 A28 | P24-R27 PolarHBondContact O-N 3.18Å; P24-A28 PolarHBondContact O-N 3.45Å |
| 25 | I | 78.5 | Confident | 77.5 | Confident | 67 Ų | 67 | 94.1 Ų | 94.1 | 34% | 0.344 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.8 | -36.6 | -178.5 | -72.2 | 171.1 | 0 | 0 | 0 | 111 | L19 S22 R23 R27 A28 A29 | L19-I25 VanDerWaalsContact C-CD1 3.48Å; L19-I25 HydrophobicContact CB-CD1 3.41Å; L19-I25 VanDerWaalsContact CB-CD1 3.41Å; L19-I25 HydrophobicContact CD1-CD1 4.48Å; L19-I25 HydrophobicContact CD2-CD1 3.91Å; L19-I25 HydrophobicContact CG-CD1 4.11Å; L19-I25 VanDerWaalsContact O-CB 3.29Å; L19-I25 WeakPolarHBondContact O-CB 3.31Å; L19-I25 WeakPolarHBondContact O-CD1 3.45Å; S22-I25 PolarHBondContact O-N 3.36Å; R23-I25 PolarHBondContact O-N 3.27Å; I25-R27 VanDerWaalsContact C-N 3.28Å; I25-R27 PolarHBondContact O-N 2.91Å; I25-A28 PolarHBondContact O-N 3.3Å; I25-A29 WeakPolarHBondContact O-CB 3.25Å; I25-A29 PolarHBondContact O-N 3.46Å |
| 26 | R | 73.6 | Confident | 77.9 | Confident | 138 Ų | 138 | 96.5 Ų | 96.5 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.9 | -42.8 | 170 | -165.5 | 177.9 | -52.4 | -131.3 | 0.5 | 112 | E21 S22 R23 Q30 | E21-R26 PolarHBondContact O-NH2 3.09Å; S22-R26 PolarHBondContact O-N 2.98Å; R23-R26 PolarHBondContact O-N 3.43Å; R26-Q30 WeakPolarHBondContact O-CB 3.49Å; R26-Q30 WeakPolarHBondContact O-CG 3.37Å; R26-Q30 PolarHBondContact O-N 2.81Å |
| 27 | R | 79.8 | Confident | 78.2 | Confident | 168 Ų | 168 | 96.6 Ų | 96.6 | 63% | 0.634 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 175.1 | -68.6 | -59.4 | -172 | -173.9 | 5.7 | 112.1 | R23 P24 I25 A29 Q30 L31 | R23-R27 WeakPolarHBondContact O-CG 3.38Å; R23-R27 PolarHBondContact O-N 2.99Å; P24-R27 PolarHBondContact O-N 3.18Å; I25-R27 VanDerWaalsContact C-N 3.28Å; I25-R27 PolarHBondContact O-N 2.91Å; R27-A29 PolarHBondContact O-N 2.86Å; R27-Q30 VanDerWaalsContact NH1-OE1 3.11Å; R27-Q30 PolarHBondContact O-N 3.37Å; R27-L31 WeakPolarHBondContact O-CB 3.44Å; R27-L31 VanDerWaalsContact O-CG 3.29Å; R27-L31 WeakPolarHBondContact O-CG 3.25Å; R27-L31 PolarHBondContact O-N 2.95Å |
| 28 | A | 78.9 | Confident | 78.9 | Confident | 50 Ų | 50 | 96.8 Ų | 96.8 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | P24 I25 L31 T32 | P24-A28 PolarHBondContact O-N 3.45Å; I25-A28 PolarHBondContact O-N 3.3Å; A28-L31 PolarHBondContact O-N 3.48Å; A28-T32 WeakPolarHBondContact O-CB 3.09Å; A28-T32 PolarHBondContact O-N 3.32Å; A28-T32 PolarHBondContact O-OG1 3.44Å |
| 29 | A | 80.1 | Confident | 78.8 | Confident | 58 Ų | 58 | 93.3 Ų | 93.3 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I25 R27 T32 A33 | I25-A29 WeakPolarHBondContact O-CB 3.25Å; I25-A29 PolarHBondContact O-N 3.46Å; R27-A29 PolarHBondContact O-N 2.86Å; A29-T32 PolarHBondContact O-N 2.87Å; A29-A33 VanDerWaalsContact O-CB 3.3Å; A29-A33 WeakPolarHBondContact O-CB 3.27Å; A29-A33 PolarHBondContact O-N 3.39Å |
| 30 | Q | 81.7 | Confident | 79.1 | Confident | 96 Ų | 96 | 94.4 Ų | 94.4 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 174.9 | -75.8 | 172.4 | -7.1 | 0 | 0 | 112.1 | R26 R27 T32 A33 Y34 | R26-Q30 WeakPolarHBondContact O-CB 3.49Å; R26-Q30 WeakPolarHBondContact O-CG 3.37Å; R26-Q30 PolarHBondContact O-N 2.81Å; R27-Q30 VanDerWaalsContact NH1-OE1 3.11Å; R27-Q30 PolarHBondContact O-N 3.37Å; Q30-T32 VanDerWaalsContact C-N 3.33Å; Q30-T32 PolarHBondContact O-N 3.05Å; Q30-A33 PolarHBondContact O-N 3.22Å; Q30-Y34 WeakPolarHBondContact O-CB 3.37Å; Q30-Y34 PolarHBondContact O-N 3.4Å |
| 31 | L | 82.6 | Confident | 79.3 | Confident | 120 Ų | 120 | 96.9 Ų | 96.9 | 63% | 0.628 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | 176.5 | -72.7 | 170.8 | 0 | 0 | 0 | 111.4 | R27 A28 Y34 A35 | R27-L31 WeakPolarHBondContact O-CB 3.44Å; R27-L31 VanDerWaalsContact O-CG 3.29Å; R27-L31 WeakPolarHBondContact O-CG 3.25Å; R27-L31 PolarHBondContact O-N 2.95Å; A28-L31 PolarHBondContact O-N 3.48Å; L31-Y34 PolarHBondContact O-N 2.95Å; L31-A35 WeakPolarHBondContact O-CB 3.19Å; L31-A35 PolarHBondContact O-N 3.16Å |
| 32 | T | 80.2 | Confident | 78.9 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -48.2 | 178.5 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | A28 A29 Q30 Y34 A35 L36 | A28-T32 WeakPolarHBondContact O-CB 3.09Å; A28-T32 PolarHBondContact O-N 3.32Å; A28-T32 PolarHBondContact O-OG1 3.44Å; A29-T32 PolarHBondContact O-N 2.87Å; Q30-T32 VanDerWaalsContact C-N 3.33Å; Q30-T32 PolarHBondContact O-N 3.05Å; T32-Y34 VanDerWaalsContact C-N 3.31Å; T32-Y34 PolarHBondContact O-N 2.85Å; T32-A35 PolarHBondContact O-N 2.81Å; T32-L36 VanDerWaalsContact O-CB 3.26Å; T32-L36 WeakPolarHBondContact O-CB 3.37Å; T32-L36 PolarHBondContact O-N 3.35Å |
| 33 | A | 83 | Confident | 78 | Confident | 54 Ų | 54 | 95.6 Ų | 95.6 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A29 Q30 T37 | A29-A33 VanDerWaalsContact O-CB 3.3Å; A29-A33 WeakPolarHBondContact O-CB 3.27Å; A29-A33 PolarHBondContact O-N 3.39Å; Q30-A33 PolarHBondContact O-N 3.22Å; A33-T37 WeakPolarHBondContact O-CB 3.23Å; A33-T37 PolarHBondContact O-N 2.97Å; A33-T37 PolarHBondContact O-OG1 2.85Å |
| 34 | Y | 82.4 | Confident | 77.4 | Confident | 139 Ų | 139 | 93.6 Ų | 93.6 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -46.8 | 176.4 | -178.6 | -101 | 0 | 0 | 0 | 112 | Q30 L31 T32 T37 K38 | Q30-Y34 WeakPolarHBondContact O-CB 3.37Å; Q30-Y34 PolarHBondContact O-N 3.4Å; L31-Y34 PolarHBondContact O-N 2.95Å; T32-Y34 VanDerWaalsContact C-N 3.31Å; T32-Y34 PolarHBondContact O-N 2.85Å; Y34-T37 PolarHBondContact O-N 3.49Å; Y34-K38 HydrophobicContact CD1-CD 4.24Å; Y34-K38 HydrophobicContact CE1-CD 3.58Å; Y34-K38 HydrophobicContact CE1-CG 4.3Å; Y34-K38 HydrophobicContact CE2-CD 4.18Å; Y34-K38 HydrophobicContact CE2-CG 4.42Å; Y34-K38 VanDerWaalsContact O-CB 3.31Å; Y34-K38 WeakPolarHBondContact O-CB 3.19Å; Y34-K38 WeakPolarHBondContact O-CG 3.4Å; Y34-K38 PolarHBondContact O-N 2.98Å; Y34-K38 WeakPolarHBondContact OH-CE 3.36Å; Y34-K38 PolarHBondContact OH-NZ 3.45Å |
| 35 | A | 86.2 | Confident | 76.6 | Confident | 58 Ų | 58 | 92.5 Ų | 92.5 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L31 T32 K38 A39 | L31-A35 WeakPolarHBondContact O-CB 3.19Å; L31-A35 PolarHBondContact O-N 3.16Å; T32-A35 PolarHBondContact O-N 2.81Å; A35-K38 PolarHBondContact O-N 3.44Å; A35-A39 WeakPolarHBondContact O-CB 3.4Å; A35-A39 PolarHBondContact O-N 2.76Å |
| 36 | L | 83.1 | Confident | 75.5 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 177.9 | -177.4 | 63.2 | 0 | 0 | 0 | 111.3 | T32 K38 A39 Q40 | T32-L36 VanDerWaalsContact O-CB 3.26Å; T32-L36 WeakPolarHBondContact O-CB 3.37Å; T32-L36 PolarHBondContact O-N 3.35Å; L36-K38 VanDerWaalsContact C-N 3.35Å; L36-K38 PolarHBondContact O-N 2.89Å; L36-A39 PolarHBondContact O-N 3.3Å; L36-Q40 HydrophobicContact CD1-CG 4.49Å; L36-Q40 WeakPolarHBondContact O-CB 3.29Å; L36-Q40 VanDerWaalsContact O-CG 3.3Å; L36-Q40 WeakPolarHBondContact O-CG 3.31Å; L36-Q40 PolarHBondContact O-N 2.82Å |
| 37 | T | 79.4 | Confident | 74.7 | Confident | 72 Ų | 72 | 89.5 Ų | 89.5 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 178.2 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | A33 Y34 Q40 I41 | A33-T37 WeakPolarHBondContact O-CB 3.23Å; A33-T37 PolarHBondContact O-N 2.97Å; A33-T37 PolarHBondContact O-OG1 2.85Å; Y34-T37 PolarHBondContact O-N 3.49Å; T37-Q40 PolarHBondContact O-N 3.17Å; T37-I41 HydrophobicContact CG2-CD1 3.85Å; T37-I41 VanDerWaalsContact O-CG1 3.26Å; T37-I41 WeakPolarHBondContact O-CG1 3.37Å; T37-I41 PolarHBondContact O-N 2.99Å |
| 38 | K | 81.9 | Confident | 73.6 | Confident | 106 Ų | 106 | 86 Ų | 86 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 175.4 | -80.9 | -158.4 | 160.3 | -172.4 | 0 | 112.7 | Y34 A35 L36 Q40 I41 V42 | Y34-K38 HydrophobicContact CD1-CD 4.24Å; Y34-K38 HydrophobicContact CE1-CD 3.58Å; Y34-K38 HydrophobicContact CE1-CG 4.3Å; Y34-K38 HydrophobicContact CE2-CD 4.18Å; Y34-K38 HydrophobicContact CE2-CG 4.42Å; Y34-K38 VanDerWaalsContact O-CB 3.31Å; Y34-K38 WeakPolarHBondContact O-CB 3.19Å; Y34-K38 WeakPolarHBondContact O-CG 3.4Å; Y34-K38 PolarHBondContact O-N 2.98Å; Y34-K38 WeakPolarHBondContact OH-CE 3.36Å; Y34-K38 PolarHBondContact OH-NZ 3.45Å; A35-K38 PolarHBondContact O-N 3.44Å; L36-K38 VanDerWaalsContact C-N 3.35Å; L36-K38 PolarHBondContact O-N 2.89Å; K38-Q40 VanDerWaalsContact C-N 3.3Å; K38-Q40 PolarHBondContact O-N 2.95Å; K38-I41 PolarHBondContact O-N 2.83Å; K38-V42 WeakPolarHBondContact O-CB 3.46Å; K38-V42 VanDerWaalsContact O-CG2 3.28Å; K38-V42 WeakPolarHBondContact O-CG2 3.4Å; K38-V42 PolarHBondContact O-N 3.41Å |
| 39 | A | 73.6 | Confident | 72.5 | Confident | 61 Ų | 61 | 91.3 Ų | 91.3 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | A35 L36 G43 | A35-A39 WeakPolarHBondContact O-CB 3.4Å; A35-A39 PolarHBondContact O-N 2.76Å; L36-A39 PolarHBondContact O-N 3.3Å; A39-G43 WeakPolarHBondContact O-CA 3.23Å; A39-G43 PolarHBondContact O-N 2.78Å |
| 40 | Q | 75.7 | Confident | 71.3 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 174.4 | -74.2 | 178.1 | -4.6 | 0 | 0 | 112.1 | L36 T37 K38 R44 | L36-Q40 HydrophobicContact CD1-CG 4.49Å; L36-Q40 WeakPolarHBondContact O-CB 3.29Å; L36-Q40 VanDerWaalsContact O-CG 3.3Å; L36-Q40 WeakPolarHBondContact O-CG 3.31Å; L36-Q40 PolarHBondContact O-N 2.82Å; T37-Q40 PolarHBondContact O-N 3.17Å; K38-Q40 VanDerWaalsContact C-N 3.3Å; K38-Q40 PolarHBondContact O-N 2.95Å; Q40-R44 VanDerWaalsContact O-CB 3.23Å; Q40-R44 WeakPolarHBondContact O-CB 3.36Å; Q40-R44 WeakPolarHBondContact O-CG 3.31Å; Q40-R44 PolarHBondContact O-N 2.77Å |
| 41 | I | 74.3 | Confident | 69.9 | Low | 104 Ų | 104 | 95.1 Ų | 95.1 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.9 | -49 | 177.6 | -67.6 | 164.3 | 0 | 0 | 0 | 110.7 | T37 K38 G43 R44 D45 | T37-I41 HydrophobicContact CG2-CD1 3.85Å; T37-I41 VanDerWaalsContact O-CG1 3.26Å; T37-I41 WeakPolarHBondContact O-CG1 3.37Å; T37-I41 PolarHBondContact O-N 2.99Å; K38-I41 PolarHBondContact O-N 2.83Å; I41-G43 VanDerWaalsContact C-N 3.32Å; I41-G43 PolarHBondContact O-N 3.29Å; I41-R44 PolarHBondContact O-N 2.88Å; I41-D45 WeakPolarHBondContact O-CB 3.37Å; I41-D45 PolarHBondContact O-N 2.83Å |
| 42 | V | 69.4 | Low | 68.7 | Low | 91 Ų | 91 | 98.2 Ų | 98.2 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | K38 T46 | K38-V42 WeakPolarHBondContact O-CB 3.46Å; K38-V42 VanDerWaalsContact O-CG2 3.28Å; K38-V42 WeakPolarHBondContact O-CG2 3.4Å; K38-V42 PolarHBondContact O-N 3.41Å; V42-T46 HydrophobicContact CG1-CG2 4.36Å; V42-T46 VanDerWaalsContact O-CB 3.31Å; V42-T46 WeakPolarHBondContact O-CB 3.3Å; V42-T46 VanDerWaalsContact O-CG2 3.29Å; V42-T46 WeakPolarHBondContact O-CG2 3.44Å; V42-T46 PolarHBondContact O-N 3.45Å; V42-T46 PolarHBondContact O-OG1 2.96Å |
| 43 | G | 61.2 | Low | 67.2 | Low | 29 Ų | 29 | 96 Ų | 96 | 30% | 0.299 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A39 I41 T46 S47 | A39-G43 WeakPolarHBondContact O-CA 3.23Å; A39-G43 PolarHBondContact O-N 2.78Å; I41-G43 VanDerWaalsContact C-N 3.32Å; I41-G43 PolarHBondContact O-N 3.29Å; G43-T46 WeakPolarHBondContact CA-OG1 3.21Å; G43-T46 PolarHBondContact O-OG1 2.62Å; G43-S47 WeakPolarHBondContact O-CB 3.23Å; G43-S47 PolarHBondContact O-N 3.46Å; G43-S47 PolarHBondContact O-OG 2.95Å |
| 44 | R | 61.6 | Low | 65.7 | Low | 174 Ų | 174 | 102.8 Ų | 102.8 | 66% | 0.657 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.4 | -43.4 | 174 | -77.1 | 179.5 | -176.3 | 176.2 | 2.7 | 112.2 | Q40 I41 S47 E48 | Q40-R44 VanDerWaalsContact O-CB 3.23Å; Q40-R44 WeakPolarHBondContact O-CB 3.36Å; Q40-R44 WeakPolarHBondContact O-CG 3.31Å; Q40-R44 PolarHBondContact O-N 2.77Å; I41-R44 PolarHBondContact O-N 2.88Å; R44-S47 PolarHBondContact O-N 2.9Å; R44-E48 WeakPolarHBondContact O-CB 3.32Å; R44-E48 WeakPolarHBondContact O-CG 3.48Å; R44-E48 PolarHBondContact O-N 3.17Å |
| 45 | D | 61.4 | Low | 64.4 | Low | 70 Ų | 70 | 99 Ų | 99 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.7 | -36.3 | -179.9 | -165 | 24.2 | 0 | 0 | 0 | 111.5 | I41 R49 | I41-D45 WeakPolarHBondContact O-CB 3.37Å; I41-D45 PolarHBondContact O-N 2.83Å; D45-R49 WeakPolarHBondContact O-CB 3.25Å; D45-R49 VanDerWaalsContact O-CG 3.23Å; D45-R49 WeakPolarHBondContact O-CG 3.41Å; D45-R49 PolarHBondContact O-N 3.33Å; D45-R49 IonicContact OD1-CZ 2.79Å; D45-R49 IonicContact OD1-NE 3.32Å; D45-R49 PolarHBondContact OD1-NE 3.1Å; D45-R49 IonicContact OD1-NH2 3.7Å; D45-R49 IonicContact OD2-CZ 3.97Å; D45-R49 IonicContact OD2-NE 3.55Å; D45-R49 IonicContact OD2-NH2 3.71Å; D45-R49 PolarHBondContact OD2-NH2 3.32Å |
| 46 | T | 56.2 | Low | 62.9 | Low | 74 Ų | 74 | 100.4 Ų | 100.4 | 45% | 0.454 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.4 | -40.8 | 170.3 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | V42 G43 R49 V50 | V42-T46 HydrophobicContact CG1-CG2 4.36Å; V42-T46 VanDerWaalsContact O-CB 3.31Å; V42-T46 WeakPolarHBondContact O-CB 3.3Å; V42-T46 VanDerWaalsContact O-CG2 3.29Å; V42-T46 WeakPolarHBondContact O-CG2 3.44Å; V42-T46 PolarHBondContact O-N 3.45Å; V42-T46 PolarHBondContact O-OG1 2.96Å; G43-T46 WeakPolarHBondContact CA-OG1 3.21Å; G43-T46 PolarHBondContact O-OG1 2.62Å; T46-R49 PolarHBondContact O-N 3.29Å; T46-V50 VanDerWaalsContact O-CB 3.25Å; T46-V50 WeakPolarHBondContact O-CB 3.2Å; T46-V50 WeakPolarHBondContact O-CG2 3.28Å; T46-V50 PolarHBondContact O-N 2.76Å |
| 47 | S | 55.3 | Low | 61.5 | Low | 69 Ų | 69 | 106.1 Ų | 106.1 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 174.6 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | G43 R44 V50 M51 | G43-S47 WeakPolarHBondContact O-CB 3.23Å; G43-S47 PolarHBondContact O-N 3.46Å; G43-S47 PolarHBondContact O-OG 2.95Å; R44-S47 PolarHBondContact O-N 2.9Å; S47-V50 PolarHBondContact O-N 2.9Å; S47-M51 WeakPolarHBondContact O-CB 3.36Å; S47-M51 VanDerWaalsContact O-CG 3.25Å; S47-M51 WeakPolarHBondContact O-CG 3.34Å; S47-M51 PolarHBondContact O-N 3.47Å |
| 48 | E | 57.2 | Low | 60.3 | Low | 94 Ų | 94 | 108.6 Ų | 108.6 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 177.5 | -79.1 | -168.3 | -172.5 | 0 | 0 | 112.3 | R44 M51 R52 | R44-E48 WeakPolarHBondContact O-CB 3.32Å; R44-E48 WeakPolarHBondContact O-CG 3.48Å; R44-E48 PolarHBondContact O-N 3.17Å; E48-M51 PolarHBondContact O-N 3.19Å; E48-R52 WeakPolarHBondContact O-CB 3.44Å; E48-R52 WeakPolarHBondContact O-CG 3.22Å; E48-R52 PolarHBondContact O-N 3.09Å; E48-R52 IonicContact OE2-CZ 3.59Å; E48-R52 IonicContact OE2-NH1 3.85Å; E48-R52 IonicContact OE2-NH2 2.76Å; E48-R52 PolarHBondContact OE2-NH2 3.27Å |
| 49 | R | 56.5 | Low | 59 | Low | 162 Ų | 162 | 106.9 Ų | 106.9 | 61% | 0.611 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.2 | -36.1 | 173.2 | -72.8 | 176.6 | -161.1 | -160.1 | 7.7 | 112.5 | D45 T46 S53 | D45-R49 WeakPolarHBondContact O-CB 3.25Å; D45-R49 VanDerWaalsContact O-CG 3.23Å; D45-R49 WeakPolarHBondContact O-CG 3.41Å; D45-R49 PolarHBondContact O-N 3.33Å; D45-R49 IonicContact OD1-CZ 2.79Å; D45-R49 IonicContact OD1-NE 3.32Å; D45-R49 PolarHBondContact OD1-NE 3.1Å; D45-R49 IonicContact OD1-NH2 3.7Å; D45-R49 IonicContact OD2-CZ 3.97Å; D45-R49 IonicContact OD2-NE 3.55Å; D45-R49 IonicContact OD2-NH2 3.71Å; D45-R49 PolarHBondContact OD2-NH2 3.32Å; T46-R49 PolarHBondContact O-N 3.29Å; R49-S53 VanDerWaalsContact O-CB 3.27Å; R49-S53 WeakPolarHBondContact O-CB 3.31Å; R49-S53 PolarHBondContact O-N 3.12Å; R49-S53 PolarHBondContact O-OG 2.83Å |
| 50 | V | 53.9 | Low | 58 | Low | 74 Ų | 74 | 114.1 Ų | 114.1 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 173.9 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | T46 S47 L56 | T46-V50 VanDerWaalsContact O-CB 3.25Å; T46-V50 WeakPolarHBondContact O-CB 3.2Å; T46-V50 WeakPolarHBondContact O-CG2 3.28Å; T46-V50 PolarHBondContact O-N 2.76Å; S47-V50 PolarHBondContact O-N 2.9Å; V50-L56 HydrophobicContact CG1-CD1 4.28Å; V50-L56 HydrophobicContact CG1-CD2 3.73Å; V50-L56 HydrophobicContact CG1-CG 4.14Å; V50-L56 VanDerWaalsContact O-CD1 3.29Å; V50-L56 WeakPolarHBondContact O-CD1 3.2Å; V50-L56 WeakPolarHBondContact O-CG 3.24Å |
| 51 | M | 53.9 | Low | 57 | Low | 159 Ų | 159 | 116.8 Ų | 116.8 | 78% | 0.783 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -78.3 | -32.8 | 176.8 | -71.5 | -165 | 82.5 | 0 | 0 | 113.7 | S47 E48 | S47-M51 WeakPolarHBondContact O-CB 3.36Å; S47-M51 VanDerWaalsContact O-CG 3.25Å; S47-M51 WeakPolarHBondContact O-CG 3.34Å; S47-M51 PolarHBondContact O-N 3.47Å; E48-M51 PolarHBondContact O-N 3.19Å |
| 52 | R | 57.2 | Low | 55.9 | Low | 185 Ų | 185 | 117.8 Ų | 117.8 | 70% | 0.698 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -81.8 | -24.5 | 178 | -74.8 | -173 | -162.8 | 132.9 | 17 | 113.7 | E48 Q54 | E48-R52 WeakPolarHBondContact O-CB 3.44Å; E48-R52 WeakPolarHBondContact O-CG 3.22Å; E48-R52 PolarHBondContact O-N 3.09Å; E48-R52 IonicContact OE2-CZ 3.59Å; E48-R52 IonicContact OE2-NH1 3.85Å; E48-R52 IonicContact OE2-NH2 2.76Å; E48-R52 PolarHBondContact OE2-NH2 3.27Å; R52-Q54 PolarHBondContact O-N 3.47Å |
| 53 | S | 47.4 | Very low | 55 | Low | 47 Ų | 47 | 116.6 Ų | 116.6 | 33% | 0.329 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -83.4 | 119.3 | 178.7 | 63.7 | 0 | 0 | 0 | 0 | 109.7 | R49 T55 L56 | R49-S53 VanDerWaalsContact O-CB 3.27Å; R49-S53 WeakPolarHBondContact O-CB 3.31Å; R49-S53 PolarHBondContact O-N 3.12Å; R49-S53 PolarHBondContact O-OG 2.83Å; S53-T55 WeakPolarHBondContact CB-OG1 3.26Å; S53-T55 PolarHBondContact O-N 2.83Å; S53-L56 PolarHBondContact O-N 3.26Å |
| 54 | Q | 52.5 | Low | 54.4 | Low | 197 Ų | 197 | 118.5 Ų | 118.5 | 92% | 0.921 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 8.8 | 167.5 | -69.6 | 170.1 | -18.8 | 0 | 0 | 113.3 | R52 | R52-Q54 PolarHBondContact O-N 3.47Š|
| 55 | T | 55.3 | Low | 54.3 | Low | 59 Ų | 59 | 120.9 Ų | 120.9 | 36% | 0.362 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.3 | -10.6 | 178 | -32.8 | 0 | 0 | 0 | 0 | 113 | S53 R57 Q58 V59 | S53-T55 WeakPolarHBondContact CB-OG1 3.26Å; S53-T55 PolarHBondContact O-N 2.83Å; T55-R57 PolarHBondContact O-N 2.8Å; T55-R57 VanDerWaalsContact O-N 3.13Å; T55-Q58 HydrophobicContact CG2-CB 4.24Å; T55-Q58 PolarHBondContact O-N 2.84Å; T55-V59 HydrophobicContact CG2-CG2 4.07Å; T55-V59 WeakPolarHBondContact O-CG2 3.42Å; T55-V59 PolarHBondContact O-N 3.34Å |
| 56 | L | 53.2 | Low | 53.9 | Low | 88 Ų | 88 | 122.7 Ų | 122.7 | 46% | 0.461 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.9 | -24.9 | 175.7 | -84.8 | 172.3 | 0 | 0 | 0 | 114.1 | V50 S53 R60 | V50-L56 HydrophobicContact CG1-CD1 4.28Å; V50-L56 HydrophobicContact CG1-CD2 3.73Å; V50-L56 HydrophobicContact CG1-CG 4.14Å; V50-L56 VanDerWaalsContact O-CD1 3.29Å; V50-L56 WeakPolarHBondContact O-CD1 3.2Å; V50-L56 WeakPolarHBondContact O-CG 3.24Å; S53-L56 PolarHBondContact O-N 3.26Å; L56-R60 VanDerWaalsContact O-CB 3.23Å; L56-R60 WeakPolarHBondContact O-CB 3.4Å; L56-R60 PolarHBondContact O-N 3.3Å |
| 57 | R | 54 | Low | 53.8 | Low | 219 Ų | 219 | 123.9 Ų | 123.9 | 83% | 0.826 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.6 | -34.2 | 173.3 | -76.4 | -174.1 | 175 | -172.7 | -0.9 | 113 | T55 Q61 | T55-R57 PolarHBondContact O-N 2.8Å; T55-R57 VanDerWaalsContact O-N 3.13Å; R57-Q61 PolarHBondContact O-N 2.86Å |
| 58 | Q | 53.7 | Low | 53.8 | Low | 123 Ų | 123 | 124.3 Ų | 124.3 | 58% | 0.575 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.5 | -43.5 | 172.6 | -91.6 | 174.5 | -10.6 | 0 | 0 | 111.3 | T55 R60 Q61 E62 | T55-Q58 HydrophobicContact CG2-CB 4.24Å; T55-Q58 PolarHBondContact O-N 2.84Å; Q58-R60 VanDerWaalsContact C-N 3.31Å; Q58-R60 PolarHBondContact O-N 3.46Å; Q58-Q61 CarbonylContact O-C 3.57Å; Q58-Q61 PolarHBondContact O-N 3.38Å; Q58-Q61 VanDerWaalsContact O-N 3.08Å; Q58-E62 WeakPolarHBondContact O-CB 3.45Å; Q58-E62 WeakPolarHBondContact O-CG 3.47Å; Q58-E62 PolarHBondContact O-N 3.15Å |
| 59 | V | 55.8 | Low | 54 | Low | 70 Ų | 70 | 123.9 Ų | 123.9 | 42% | 0.424 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.8 | -32 | 175.7 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | T55 Q61 E62 A63 | T55-V59 HydrophobicContact CG2-CG2 4.07Å; T55-V59 WeakPolarHBondContact O-CG2 3.42Å; T55-V59 PolarHBondContact O-N 3.34Å; V59-Q61 VanDerWaalsContact C-N 3.34Å; V59-E62 PolarHBondContact O-N 3.24Å; V59-A63 WeakPolarHBondContact O-CA 3.26Å; V59-A63 WeakPolarHBondContact O-CB 3.22Å; V59-A63 PolarHBondContact O-N 3.01Å |
| 60 | R | 52.3 | Low | 54.4 | Low | 214 Ų | 214 | 123.8 Ų | 123.8 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.7 | -31.2 | 172.3 | -169.6 | 172.5 | -174.2 | -177.8 | 1.2 | 112.8 | L56 Q58 G64 | L56-R60 VanDerWaalsContact O-CB 3.23Å; L56-R60 WeakPolarHBondContact O-CB 3.4Å; L56-R60 PolarHBondContact O-N 3.3Å; Q58-R60 VanDerWaalsContact C-N 3.31Å; Q58-R60 PolarHBondContact O-N 3.46Å; R60-G64 PolarHBondContact O-N 2.92Å |
| 61 | Q | 54.3 | Low | 54.9 | Low | 150 Ų | 150 | 126.7 Ų | 126.7 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79.4 | -31 | 173.8 | -76.2 | -179.8 | 2.6 | 0 | 0 | 112.7 | R57 Q58 V59 | R57-Q61 PolarHBondContact O-N 2.86Å; Q58-Q61 CarbonylContact O-C 3.57Å; Q58-Q61 PolarHBondContact O-N 3.38Å; Q58-Q61 VanDerWaalsContact O-N 3.08Å; V59-Q61 VanDerWaalsContact C-N 3.34Å |
| 62 | E | 52.5 | Low | 55.7 | Low | 125 Ų | 125 | 125 Ų | 125 | 58% | 0.584 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -84.6 | -30.6 | 176.1 | -72.5 | -178.3 | 175.1 | 0 | 0 | 113.1 | Q58 V59 G64 R65 V66 | Q58-E62 WeakPolarHBondContact O-CB 3.45Å; Q58-E62 WeakPolarHBondContact O-CG 3.47Å; Q58-E62 PolarHBondContact O-N 3.15Å; V59-E62 PolarHBondContact O-N 3.24Å; E62-G64 VanDerWaalsContact C-N 3.26Å; E62-R65 CarbonylContact O-C 3.53Å; E62-R65 WeakPolarHBondContact O-CA 3.26Å; E62-R65 WeakPolarHBondContact O-CB 3.18Å; E62-R65 PolarHBondContact O-N 3.37Å; E62-V66 PolarHBondContact O-N 3.26Å; E62-V66 VanDerWaalsContact O-N 3.11Å |
| 63 | A | 49.3 | Very low | 56.7 | Low | 66 Ų | 66 | 121 Ų | 121 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -18.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V59 R65 | V59-A63 WeakPolarHBondContact O-CA 3.26Å; V59-A63 WeakPolarHBondContact O-CB 3.22Å; V59-A63 PolarHBondContact O-N 3.01Å; A63-R65 PolarHBondContact O-N 2.9Å |
| 64 | G | 49.6 | Very low | 58 | Low | 69 Ų | 69 | 121.8 Ų | 121.8 | 71% | 0.711 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -9.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R60 E62 | R60-G64 PolarHBondContact O-N 2.92Å; E62-G64 VanDerWaalsContact C-N 3.26Å |
| 65 | R | 57.8 | Low | 59.3 | Low | 224 Ų | 224 | 115.1 Ų | 115.1 | 85% | 0.845 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | -5 | -177.8 | -93.2 | -175 | 172.9 | 143.3 | -0.7 | 115.5 | E62 A63 | E62-R65 CarbonylContact O-C 3.53Å; E62-R65 WeakPolarHBondContact O-CA 3.26Å; E62-R65 WeakPolarHBondContact O-CB 3.18Å; E62-R65 PolarHBondContact O-N 3.37Å; A63-R65 PolarHBondContact O-N 2.9Å |
| 66 | V | 54.3 | Low | 60.6 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -151.3 | 124.2 | 179.9 | -174.9 | 0 | 0 | 0 | 0 | 112 | E62 | E62-V66 PolarHBondContact O-N 3.26Å; E62-V66 VanDerWaalsContact O-N 3.11Å |
| 67 | P | 53.7 | Low | 62.2 | Low | 98 Ų | 98 | 123.2 Ų | 123.2 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | -127 | 158.2 | -56.1 | 30.6 | -10.8 | 0 | 0 | 0 | 111.8 | D69 | P67-D69 PolarHBondContact O-N 3.13Š| |||
| 68 | G | 54.6 | Low | 63.7 | Low | 79 Ų | 79 | 119.2 Ų | 119.2 | 81% | 0.814 | 62% | 0.622 | S | S | * | * | trans | -73.7 | 26.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 69 | D | 62.8 | Low | 65.4 | Low | 84 Ų | 84 | 120.7 Ų | 120.7 | 45% | 0.449 | 62% | 0.622 | S | S | . | * | trans | -117.7 | 72.1 | -177.1 | -72.6 | -33.4 | 0 | 0 | 0 | 112.2 | P67 E71 E72 V73 | P67-D69 PolarHBondContact O-N 3.13Å; D69-E71 PolarHBondContact O-N 3.35Å; D69-E71 VanDerWaalsContact O-N 3.1Å; D69-E72 HydrophobicContact CB-CB 3.66Å; D69-E72 PolarHBondContact O-N 3.49Å; D69-V73 PolarHBondContact O-N 3.03Å | ||
| 70 | L | 63.5 | Low | 67.1 | Low | 160 Ų | 160 | 122 Ų | 122 | 84% | 0.838 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -48.5 | -31.5 | 159.7 | -107.4 | 97.1 | 0 | 0 | 0 | 111.1 | S74 | L70-S74 WeakPolarHBondContact O-CB 3.45Å; L70-S74 PolarHBondContact O-N 3.43Å |
| 71 | E | 65.6 | Low | 68.8 | Low | 135 Ų | 135 | 120.6 Ų | 120.6 | 63% | 0.631 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.8 | -41.3 | 177.8 | -162.2 | 171.4 | 167.1 | 0 | 0 | 112.4 | D69 S74 N75 | D69-E71 PolarHBondContact O-N 3.35Å; D69-E71 VanDerWaalsContact O-N 3.1Å; E71-S74 PolarHBondContact O-N 2.84Å; E71-S74 PolarHBondContact O-OG 2.88Å; E71-N75 WeakPolarHBondContact O-CB 3.26Å; E71-N75 VanDerWaalsContact O-CG 3.28Å; E71-N75 PolarHBondContact O-N 2.69Å; E71-N75 PolarHBondContact O-ND2 2.88Å; E71-N75 VanDerWaalsContact O-ND2 3.11Å |
| 72 | E | 71 | Confident | 70.6 | Confident | 123 Ų | 123 | 118 Ų | 118 | 58% | 0.575 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.1 | -38.3 | 178.9 | -164.4 | 174.4 | -156.2 | 0 | 0 | 111.8 | D69 N75 R76 | D69-E72 HydrophobicContact CB-CB 3.66Å; D69-E72 PolarHBondContact O-N 3.49Å; E72-N75 PolarHBondContact O-N 2.81Å; E72-R76 WeakPolarHBondContact O-CB 3.39Å; E72-R76 PolarHBondContact O-N 3.34Å |
| 73 | V | 77.3 | Confident | 72.4 | Confident | 101 Ų | 101 | 116 Ų | 116 | 61% | 0.612 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.2 | -43 | 171.4 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | D69 N75 R76 L77 | D69-V73 PolarHBondContact O-N 3.03Å; V73-N75 VanDerWaalsContact C-N 3.32Å; V73-N75 PolarHBondContact O-N 2.86Å; V73-R76 PolarHBondContact O-N 2.76Å; V73-L77 WeakPolarHBondContact O-CB 3.17Å; V73-L77 PolarHBondContact O-N 3.28Å |
| 74 | S | 74.4 | Confident | 74.3 | Confident | 64 Ų | 64 | 119.8 Ų | 119.8 | 45% | 0.448 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.4 | -39.7 | 176.3 | 85.2 | 0 | 0 | 0 | 0 | 112.1 | L70 E71 L77 R78 | L70-S74 WeakPolarHBondContact O-CB 3.45Å; L70-S74 PolarHBondContact O-N 3.43Å; E71-S74 PolarHBondContact O-N 2.84Å; E71-S74 PolarHBondContact O-OG 2.88Å; S74-L77 PolarHBondContact O-N 3.49Å; S74-R78 WeakPolarHBondContact O-CB 3.43Å; S74-R78 PolarHBondContact O-N 3.47Å |
| 75 | N | 81.1 | Confident | 76.4 | Confident | 58 Ų | 58 | 120.5 Ų | 120.5 | 31% | 0.31 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.5 | -33.4 | 179 | -80.1 | -37.8 | 0 | 0 | 0 | 112.2 | E71 E72 V73 R79 | E71-N75 WeakPolarHBondContact O-CB 3.26Å; E71-N75 VanDerWaalsContact O-CG 3.28Å; E71-N75 PolarHBondContact O-N 2.69Å; E71-N75 PolarHBondContact O-ND2 2.88Å; E71-N75 VanDerWaalsContact O-ND2 3.11Å; E72-N75 PolarHBondContact O-N 2.81Å; V73-N75 VanDerWaalsContact C-N 3.32Å; V73-N75 PolarHBondContact O-N 2.86Å; N75-R79 PolarHBondContact O-N 3.44Å; N75-R79 PolarHBondContact O-NE 3.48Å |
| 76 | R | 82.6 | Confident | 78 | Confident | 190 Ų | 190 | 116.3 Ų | 116.3 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72 | -41.4 | 173.4 | -157.4 | 167.1 | -171.2 | 173.9 | 1.4 | 111.2 | E72 V73 R78 R79 V80 | E72-R76 WeakPolarHBondContact O-CB 3.39Å; E72-R76 PolarHBondContact O-N 3.34Å; V73-R76 PolarHBondContact O-N 2.76Å; R76-R78 VanDerWaalsContact C-N 3.34Å; R76-R78 PolarHBondContact O-N 2.87Å; R76-R79 PolarHBondContact O-N 3.18Å; R76-V80 WeakPolarHBondContact O-CG2 3.02Å; R76-V80 PolarHBondContact O-N 2.89Å; R76-V80 VanDerWaalsContact O-N 3.11Å |
| 77 | L | 86.3 | Confident | 79.6 | Confident | 127 Ų | 127 | 117.8 Ų | 117.8 | 67% | 0.665 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.4 | -41.2 | 174.8 | -148.2 | 93.3 | 0 | 0 | 0 | 111.6 | V73 S74 V80 R81 | V73-L77 WeakPolarHBondContact O-CB 3.17Å; V73-L77 PolarHBondContact O-N 3.28Å; S74-L77 PolarHBondContact O-N 3.49Å; L77-V80 PolarHBondContact O-N 3.38Å; L77-R81 WeakPolarHBondContact O-CB 3.3Å; L77-R81 PolarHBondContact O-N 2.85Å |
| 78 | R | 85.8 | Confident | 81.4 | Confident | 134 Ų | 134 | 117 Ų | 117 | 51% | 0.506 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61 | -45.6 | 176.9 | -173.5 | 172.7 | 73.1 | 95.9 | -10.8 | 111.7 | S74 R76 R81 E82 | S74-R78 WeakPolarHBondContact O-CB 3.43Å; S74-R78 PolarHBondContact O-N 3.47Å; R76-R78 VanDerWaalsContact C-N 3.34Å; R76-R78 PolarHBondContact O-N 2.87Å; R78-R81 WeakPolarHBondContact O-CB 3.18Å; R78-R81 PolarHBondContact O-N 2.76Å; R78-E82 WeakPolarHBondContact CG-OE1 3.49Å; R78-E82 IonicContact CZ-OE1 3.66Å; R78-E82 IonicContact NH1-OE1 2.7Å; R78-E82 PolarHBondContact NH1-OE1 3.16Å; R78-E82 IonicContact NH1-OE2 3.94Å; R78-E82 WeakPolarHBondContact O-CG 3.29Å; R78-E82 PolarHBondContact O-N 3.35Å |
| 79 | R | 88 | Confident | 83 | Confident | 155 Ų | 155 | 120.2 Ų | 120.2 | 59% | 0.585 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61 | -45 | 176 | -85 | -177.2 | -87.1 | -177.4 | -8.1 | 112.5 | N75 R76 R81 E82 T83 | N75-R79 PolarHBondContact O-N 3.44Å; N75-R79 PolarHBondContact O-NE 3.48Å; R76-R79 PolarHBondContact O-N 3.18Å; R79-R81 VanDerWaalsContact C-N 3.33Å; R79-R81 PolarHBondContact O-N 2.83Å; R79-E82 PolarHBondContact O-N 3.5Å; R79-T83 PolarHBondContact O-N 3.44Å; R79-T83 PolarHBondContact O-OG1 3.45Å; R79-T83 VanDerWaalsContact O-OG1 3.09Å |
| 80 | V | 92.6 | Very high | 84.1 | Confident | 98 Ų | 98 | 119.6 Ų | 119.6 | 59% | 0.594 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.4 | -42.7 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | R76 L77 T83 F84 | R76-V80 WeakPolarHBondContact O-CG2 3.02Å; R76-V80 PolarHBondContact O-N 2.89Å; R76-V80 VanDerWaalsContact O-N 3.11Å; L77-V80 PolarHBondContact O-N 3.38Å; V80-T83 PolarHBondContact O-N 3.19Å; V80-F84 WeakPolarHBondContact O-CB 3.38Å; V80-F84 PolarHBondContact O-N 3.45Å |
| 81 | R | 88.6 | Confident | 85 | Confident | 183 Ų | 183 | 114.2 Ų | 114.2 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.4 | -45.5 | 175 | 179.5 | -172.6 | 172.4 | -152.8 | -1.8 | 111.7 | L77 R78 R79 F84 V85 | L77-R81 WeakPolarHBondContact O-CB 3.3Å; L77-R81 PolarHBondContact O-N 2.85Å; R78-R81 WeakPolarHBondContact O-CB 3.18Å; R78-R81 PolarHBondContact O-N 2.76Å; R79-R81 VanDerWaalsContact C-N 3.33Å; R79-R81 PolarHBondContact O-N 2.83Å; R81-F84 PolarHBondContact O-N 3.19Å; R81-V85 HydrophobicContact CG-CG2 4.45Å; R81-V85 VanDerWaalsContact O-CG2 3.31Å; R81-V85 WeakPolarHBondContact O-CG2 3.29Å; R81-V85 PolarHBondContact O-N 3.37Å |
| 82 | E | 91.3 | Very high | 85.8 | Confident | 96 Ų | 96 | 117.5 Ų | 117.5 | 45% | 0.449 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.3 | -44.4 | 179.8 | -76.7 | 171.3 | -170.8 | 0 | 0 | 111.7 | R78 R79 F84 V85 K86 | R78-E82 WeakPolarHBondContact CG-OE1 3.49Å; R78-E82 IonicContact CZ-OE1 3.66Å; R78-E82 IonicContact NH1-OE1 2.7Å; R78-E82 PolarHBondContact NH1-OE1 3.16Å; R78-E82 IonicContact NH1-OE2 3.94Å; R78-E82 WeakPolarHBondContact O-CG 3.29Å; R78-E82 PolarHBondContact O-N 3.35Å; R79-E82 PolarHBondContact O-N 3.5Å; E82-F84 VanDerWaalsContact C-N 3.35Å; E82-F84 PolarHBondContact O-N 3.32Å; E82-V85 PolarHBondContact O-N 2.99Å; E82-K86 WeakPolarHBondContact O-CB 3.36Å; E82-K86 PolarHBondContact O-N 2.93Å |
| 83 | T | 90.8 | Very high | 86.2 | Confident | 83 Ų | 83 | 116.7 Ų | 116.7 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60 | -46.3 | 174.3 | -55 | 0 | 0 | 0 | 0 | 111 | R79 V80 V85 K86 E87 | R79-T83 PolarHBondContact O-N 3.44Å; R79-T83 PolarHBondContact O-OG1 3.45Å; R79-T83 VanDerWaalsContact O-OG1 3.09Å; V80-T83 PolarHBondContact O-N 3.19Å; T83-V85 PolarHBondContact O-N 3.49Å; T83-K86 WeakPolarHBondContact O-CB 3.46Å; T83-K86 PolarHBondContact O-N 2.9Å; T83-E87 WeakPolarHBondContact O-CB 3.48Å; T83-E87 PolarHBondContact O-N 3.48Å |
| 84 | F | 88.6 | Confident | 86.2 | Confident | 146 Ų | 146 | 116 Ų | 116 | 64% | 0.64 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.8 | -43 | -179.9 | -157.5 | -91.9 | 0 | 0 | 0 | 112.4 | V80 R81 E82 K86 E87 V88 | V80-F84 WeakPolarHBondContact O-CB 3.38Å; V80-F84 PolarHBondContact O-N 3.45Å; R81-F84 PolarHBondContact O-N 3.19Å; E82-F84 VanDerWaalsContact C-N 3.35Å; E82-F84 PolarHBondContact O-N 3.32Å; F84-K86 VanDerWaalsContact C-N 3.31Å; F84-K86 PolarHBondContact O-N 3.05Å; F84-E87 PolarHBondContact O-N 3.23Å; F84-V88 HydrophobicContact CD1-CG2 3.89Å; F84-V88 HydrophobicContact CE1-CG2 3.78Å; F84-V88 WeakPolarHBondContact O-CB 3.21Å; F84-V88 WeakPolarHBondContact O-CG2 3.43Å; F84-V88 PolarHBondContact O-N 3.35Å |
| 85 | V | 94.9 | Very high | 86 | Confident | 83 Ų | 83 | 114.3 Ų | 114.3 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 111 | R81 E82 T83 K89 | R81-V85 HydrophobicContact CG-CG2 4.45Å; R81-V85 VanDerWaalsContact O-CG2 3.31Å; R81-V85 WeakPolarHBondContact O-CG2 3.29Å; R81-V85 PolarHBondContact O-N 3.37Å; E82-V85 PolarHBondContact O-N 2.99Å; T83-V85 PolarHBondContact O-N 3.49Å; V85-K89 VanDerWaalsContact O-CB 3.23Å; V85-K89 WeakPolarHBondContact O-CB 3.17Å; V85-K89 PolarHBondContact O-N 2.88Å |
| 86 | K | 89.7 | Confident | 85.3 | Confident | 137 Ų | 137 | 114.4 Ų | 114.4 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.4 | -49.2 | 177.9 | -168.2 | -176.5 | 177.1 | -165.7 | 0 | 111.2 | E82 T83 F84 V88 K89 D90 | E82-K86 WeakPolarHBondContact O-CB 3.36Å; E82-K86 PolarHBondContact O-N 2.93Å; T83-K86 WeakPolarHBondContact O-CB 3.46Å; T83-K86 PolarHBondContact O-N 2.9Å; F84-K86 VanDerWaalsContact C-N 3.31Å; F84-K86 PolarHBondContact O-N 3.05Å; K86-V88 VanDerWaalsContact C-N 3.34Å; K86-V88 PolarHBondContact O-N 3.28Å; K86-K89 PolarHBondContact O-N 3.4Å; K86-D90 WeakPolarHBondContact O-CB 3.44Å; K86-D90 PolarHBondContact O-N 3.4Å |
| 87 | E | 89.1 | Confident | 84.4 | Confident | 140 Ų | 140 | 112.5 Ų | 112.5 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -57.6 | -45.5 | 177.4 | -154.1 | 95.6 | -164 | 0 | 0 | 111.6 | T83 F84 D90 G91 | T83-E87 WeakPolarHBondContact O-CB 3.48Å; T83-E87 PolarHBondContact O-N 3.48Å; F84-E87 PolarHBondContact O-N 3.23Å; E87-D90 PolarHBondContact O-N 3.5Å; E87-G91 PolarHBondContact O-N 3.17Å |
| 88 | V | 91.2 | Very high | 83.1 | Confident | 80 Ų | 80 | 116.6 Ų | 116.6 | 49% | 0.485 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 179.1 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | F84 K86 W92 | F84-V88 HydrophobicContact CD1-CG2 3.89Å; F84-V88 HydrophobicContact CE1-CG2 3.78Å; F84-V88 WeakPolarHBondContact O-CB 3.21Å; F84-V88 WeakPolarHBondContact O-CG2 3.43Å; F84-V88 PolarHBondContact O-N 3.35Å; K86-V88 VanDerWaalsContact C-N 3.34Å; K86-V88 PolarHBondContact O-N 3.28Å; V88-W92 VanDerWaalsContact O-CB 3.31Å; V88-W92 WeakPolarHBondContact O-CB 3.15Å; V88-W92 PolarHBondContact O-N 2.92Å |
| 89 | K | 87.8 | Confident | 81.8 | Confident | 148 Ų | 148 | 117.1 Ų | 117.1 | 64% | 0.643 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.1 | -43.2 | 178.6 | -176.2 | 179 | 178.6 | -178.2 | 0 | 111.7 | V85 K86 W92 K93 | V85-K89 VanDerWaalsContact O-CB 3.23Å; V85-K89 WeakPolarHBondContact O-CB 3.17Å; V85-K89 PolarHBondContact O-N 2.88Å; K86-K89 PolarHBondContact O-N 3.4Å; K89-W92 PolarHBondContact O-N 3.49Å; K89-K93 WeakPolarHBondContact O-CB 3.28Å; K89-K93 PolarHBondContact O-N 3.1Å |
| 90 | D | 86.3 | Confident | 80.1 | Confident | 70 Ų | 70 | 118.7 Ų | 118.7 | 37% | 0.374 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.7 | -43.7 | 179.7 | -70.8 | -19.8 | 0 | 0 | 0 | 110.4 | K86 E87 W92 K93 D94 | K86-D90 WeakPolarHBondContact O-CB 3.44Å; K86-D90 PolarHBondContact O-N 3.4Å; E87-D90 PolarHBondContact O-N 3.5Å; D90-W92 VanDerWaalsContact C-N 3.31Å; D90-W92 PolarHBondContact O-N 3.18Å; D90-K93 PolarHBondContact O-N 2.76Å; D90-K93 VanDerWaalsContact O-N 3.16Å; D90-D94 PolarHBondContact O-N 2.92Å |
| 91 | G | 83 | Confident | 77.7 | Confident | 48 Ų | 48 | 126.2 Ų | 126.2 | 50% | 0.495 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -58.9 | -39.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E87 G95 | E87-G91 PolarHBondContact O-N 3.17Å; G91-G95 PolarHBondContact O-N 3.38Å |
| 92 | W | 82.1 | Confident | 77.2 | Confident | 204 Ų | 204 | 123.4 Ų | 123.4 | 77% | 0.773 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.1 | -41.6 | 175 | -167.8 | -72 | 0 | 0 | 0 | 112.4 | V88 K89 D90 S96 | V88-W92 VanDerWaalsContact O-CB 3.31Å; V88-W92 WeakPolarHBondContact O-CB 3.15Å; V88-W92 PolarHBondContact O-N 2.92Å; K89-W92 PolarHBondContact O-N 3.49Å; D90-W92 VanDerWaalsContact C-N 3.31Å; D90-W92 PolarHBondContact O-N 3.18Å; W92-S96 VanDerWaalsContact O-CB 3.25Å; W92-S96 WeakPolarHBondContact O-CB 3.48Å; W92-S96 PolarHBondContact O-N 3.3Å |
| 93 | K | 79.6 | Confident | 76.4 | Confident | 106 Ų | 106 | 124.8 Ų | 124.8 | 46% | 0.461 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.3 | -38.7 | -179.5 | -170.7 | 178 | -179.1 | -176.3 | 0 | 112 | K89 D90 R97 | K89-K93 WeakPolarHBondContact O-CB 3.28Å; K89-K93 PolarHBondContact O-N 3.1Å; D90-K93 PolarHBondContact O-N 2.76Å; D90-K93 VanDerWaalsContact O-N 3.16Å; K93-R97 WeakPolarHBondContact O-CG 3.35Å; K93-R97 PolarHBondContact O-N 3.02Å; K93-R97 VanDerWaalsContact O-N 3.17Å |
| 94 | D | 76.1 | Confident | 75.6 | Confident | 85 Ų | 85 | 127.1 Ų | 127.1 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.2 | -36.1 | 176.9 | -75.4 | -15.6 | 0 | 0 | 0 | 112.3 | D90 S96 R97 R98 | D90-D94 PolarHBondContact O-N 2.92Å; D94-S96 VanDerWaalsContact C-N 3.35Å; D94-R97 PolarHBondContact O-N 3.28Å; D94-R97 IonicContact OD1-NH1 3.41Å; D94-R97 PolarHBondContact OD1-NH1 3.42Å; D94-R98 PolarHBondContact O-N 2.57Å; D94-R98 VanDerWaalsContact O-N 3.1Å |
| 95 | G | 71 | Confident | 74.9 | Confident | 30 Ų | 30 | 126 Ų | 126 | 31% | 0.309 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.4 | -45.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | G91 R97 R98 I99 | G91-G95 PolarHBondContact O-N 3.38Å; G95-R97 VanDerWaalsContact C-N 3.3Å; G95-R97 PolarHBondContact O-N 3.37Å; G95-R98 PolarHBondContact O-N 2.79Å; G95-I99 WeakPolarHBondContact O-CD1 3.14Å; G95-I99 VanDerWaalsContact O-CG1 3.26Å; G95-I99 WeakPolarHBondContact O-CG1 3.41Å; G95-I99 PolarHBondContact O-N 3.07Å; G95-I99 VanDerWaalsContact O-N 3.15Å |
| 96 | S | 65.7 | Low | 73.6 | Confident | 59 Ų | 59 | 128.7 Ų | 128.7 | 41% | 0.413 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.9 | -33.7 | 176.4 | 161.9 | 0 | 0 | 0 | 0 | 113.7 | W92 D94 | W92-S96 VanDerWaalsContact O-CB 3.25Å; W92-S96 WeakPolarHBondContact O-CB 3.48Å; W92-S96 PolarHBondContact O-N 3.3Å; D94-S96 VanDerWaalsContact C-N 3.35Å |
| 97 | R | 64.3 | Low | 72.6 | Confident | 150 Ų | 150 | 128.1 Ų | 128.1 | 57% | 0.566 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.3 | -32.4 | 177.8 | -75.9 | 170.7 | 175.2 | 164.6 | -12 | 112.7 | K93 D94 G95 | K93-R97 WeakPolarHBondContact O-CG 3.35Å; K93-R97 PolarHBondContact O-N 3.02Å; K93-R97 VanDerWaalsContact O-N 3.17Å; D94-R97 PolarHBondContact O-N 3.28Å; D94-R97 IonicContact OD1-NH1 3.41Å; D94-R97 PolarHBondContact OD1-NH1 3.42Å; G95-R97 VanDerWaalsContact C-N 3.3Å; G95-R97 PolarHBondContact O-N 3.37Å |
| 98 | R | 58.4 | Low | 71.4 | Confident | 214 Ų | 214 | 127.3 Ų | 127.3 | 81% | 0.808 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.1 | -26.8 | 175.5 | -73.4 | -172.8 | -179.8 | -131.1 | 3.1 | 113.3 | D94 G95 K100 | D94-R98 PolarHBondContact O-N 2.57Å; D94-R98 VanDerWaalsContact O-N 3.1Å; G95-R98 PolarHBondContact O-N 2.79Å; R98-K100 VanDerWaalsContact C-N 3.29Å |
| 99 | I | 58.4 | Low | 69.9 | Low | 144 Ų | 144 | 130.9 Ų | 130.9 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -12.2 | 177.7 | -62.7 | 163.2 | 0 | 0 | 0 | 112.3 | G95 | G95-I99 WeakPolarHBondContact O-CD1 3.14Å; G95-I99 VanDerWaalsContact O-CG1 3.26Å; G95-I99 WeakPolarHBondContact O-CG1 3.41Å; G95-I99 PolarHBondContact O-N 3.07Å; G95-I99 VanDerWaalsContact O-N 3.15Å |
| 100 | K | 52.5 | Low | 68.4 | Low | 189 Ų | 189 | 129.5 Ų | 129.5 | 82% | 0.822 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 8.6 | 179.7 | -90.6 | -170.4 | 173.8 | -173.5 | 0 | 115 | R98 | R98-K100 VanDerWaalsContact C-N 3.29Š|
| 101 | K | 43 | Very low | 66.7 | Low | 255 Ų | 255 | 134.9 Ų | 134.9 | 100% | 1.109 | 63% | 0.632 | S | S | * | * | trans | -111.2 | 0 | 165.8 | -94.2 | -169.6 | 174.5 | -172.3 | 0 | 108.8 |
Retrieved 101 of 101 residues in 224.4 ms
(Link to these results)