| 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 | 57.1 | Low | 81.4 | Confident | 221 Ų | 221 | 115.1 Ų | 115.1 | 100% | 1.089 | 60% | 0.6 | S | S | * | * | 0 | 102.5 | 0 | -76.5 | -85.6 | -154.2 | 0 | 0 | 107.6 | L3 | M1-L3 PolarHBondContact O-N 3.14Š| |||
| 2 | T | 69.4 | Low | 82.2 | Confident | 125 Ų | 125 | 113 Ų | 113 | 77% | 0.767 | 59% | 0.59 | S | S | * | * | trans | -66.5 | 93.2 | 179.7 | -0.1 | 0 | 0 | 0 | 0 | 109 | F4 | T2-F4 PolarHBondContact O-N 3.09Å; T2-F4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | L | 73.3 | Confident | 82.8 | Confident | 104 Ų | 104 | 115.5 Ų | 115.5 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | trans | -77.9 | 100.8 | -175.4 | -71.9 | 156.4 | 0 | 0 | 0 | 109.4 | M1 Y5 M8 | M1-L3 PolarHBondContact O-N 3.14Å; L3-Y5 PolarHBondContact O-N 3.31Å; L3-M8 HydrophobicContact CB-SD 4.44Å; L3-M8 HydrophobicContact CD2-CE 3.82Å; L3-M8 HydrophobicContact CD2-SD 3.37Å; L3-M8 WeakPolarHBondContact CD2-SD 3.49Å; L3-M8 HydrophobicContact CG-SD 4.47Å | ||
| 4 | F | 84.5 | Confident | 83.4 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 48% | 0.482 | 59% | 0.588 | S | S | . | * | trans | -85.2 | 103.3 | 165.7 | -64.6 | -69.1 | 0 | 0 | 0 | 108.6 | T2 W6 R7 M8 | T2-F4 PolarHBondContact O-N 3.09Å; T2-F4 VanDerWaalsContact O-N 3.17Å; F4-W6 HydrophobicContact CB-CD2 4.34Å; F4-W6 HydrophobicContact CB-CZ2 4.1Å; F4-W6 HydrophobicContact CD1-CZ2 4.24Å; F4-W6 AromaticContact CD1-NE1 3.72Å; F4-W6 HydrophobicContact CG-CZ2 4.1Å; F4-W6 AromaticContact CG-NE1 3.98Å; F4-W6 PolarHBondContact O-N 3.28Å; F4-W6 VanDerWaalsContact O-N 3.12Å; F4-R7 HydrophobicContact CB-CB 4.06Å; F4-R7 HydrophobicContact CB-CG 3.82Å; F4-R7 WeakPolarHBondContact O-CA 3.43Å; F4-R7 WeakPolarHBondContact O-CB 3.42Å; F4-R7 PolarHBondContact O-N 3.05Å; F4-M8 PolarHBondContact O-N 3.02Å | ||
| 5 | Y | 85.9 | Confident | 83.9 | Confident | 184 Ų | 184 | 116.9 Ų | 116.9 | 72% | 0.722 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -52.8 | -36.4 | -178 | -67.5 | -76 | 0 | 0 | 0 | 113.5 | L3 R7 M8 A9 | L3-Y5 PolarHBondContact O-N 3.31Å; Y5-R7 VanDerWaalsContact C-N 3.33Å; Y5-R7 PolarHBondContact O-N 3.28Å; Y5-M8 PolarHBondContact O-N 2.91Å; Y5-A9 PolarHBondContact O-N 2.94Å |
| 6 | W | 85.3 | Confident | 84.4 | Confident | 52 Ų | 52 | 116.5 Ų | 116.5 | 20% | 0.197 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -65.7 | -33.9 | 177.1 | 56.2 | -94.8 | 0 | 0 | 0 | 112.7 | F4 A9 V11 Y13 Y16 | F4-W6 HydrophobicContact CB-CD2 4.34Å; F4-W6 HydrophobicContact CB-CZ2 4.1Å; F4-W6 HydrophobicContact CD1-CZ2 4.24Å; F4-W6 AromaticContact CD1-NE1 3.72Å; F4-W6 HydrophobicContact CG-CZ2 4.1Å; F4-W6 AromaticContact CG-NE1 3.98Å; F4-W6 PolarHBondContact O-N 3.28Å; F4-W6 VanDerWaalsContact O-N 3.12Å; W6-A9 PolarHBondContact O-N 3.1Å; W6-V11 WeakPolarHBondContact O-CB 3.37Å; W6-V11 PolarHBondContact O-N 3.36Å; W6-Y13 HydrophobicContact CH2-CD2 4.31Å; W6-Y16 HydrophobicContact CB-CD2 3.68Å; W6-Y16 HydrophobicContact CB-CE2 4.33Å; W6-Y16 HydrophobicContact CB-CG 4.2Å; W6-Y16 AromaticContact CD1-CD2 4Å; W6-Y16 AromaticContact CD1-CE2 3.98Å; W6-Y16 HydrophobicContact CD2-CG 4.38Å; W6-Y16 AromaticContact CG-CD2 3.85Å; W6-Y16 HydrophobicContact CG-CD2 3.85Å; W6-Y16 HydrophobicContact CG-CE2 4.29Å; W6-Y16 HydrophobicContact CG-CG 4.09Å |
| 7 | R | 86.2 | Confident | 84.8 | Confident | 159 Ų | 159 | 113.2 Ų | 113.2 | 60% | 0.6 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.4 | -42.1 | 172.8 | -73 | -66.8 | -157.3 | 172.2 | 6.9 | 111.5 | F4 Y5 A9 G10 | F4-R7 HydrophobicContact CB-CB 4.06Å; F4-R7 HydrophobicContact CB-CG 3.82Å; F4-R7 WeakPolarHBondContact O-CA 3.43Å; F4-R7 WeakPolarHBondContact O-CB 3.42Å; F4-R7 PolarHBondContact O-N 3.05Å; Y5-R7 VanDerWaalsContact C-N 3.33Å; Y5-R7 PolarHBondContact O-N 3.28Å; R7-A9 VanDerWaalsContact C-N 3.28Å; R7-A9 PolarHBondContact O-N 3.46Å; R7-G10 PolarHBondContact O-N 3.45Å; R7-G10 VanDerWaalsContact O-N 3.13Å |
| 8 | M | 86.9 | Confident | 85.2 | Confident | 129 Ų | 129 | 112.2 Ų | 112.2 | 64% | 0.635 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.8 | -33.3 | 178.4 | -62.1 | -177.4 | 83.4 | 0 | 0 | 112.1 | L3 F4 Y5 G10 | L3-M8 HydrophobicContact CB-SD 4.44Å; L3-M8 HydrophobicContact CD2-CE 3.82Å; L3-M8 HydrophobicContact CD2-SD 3.37Å; L3-M8 WeakPolarHBondContact CD2-SD 3.49Å; L3-M8 HydrophobicContact CG-SD 4.47Å; F4-M8 PolarHBondContact O-N 3.02Å; Y5-M8 PolarHBondContact O-N 2.91Å; M8-G10 PolarHBondContact O-N 3.45Å |
| 9 | A | 87.9 | Confident | 85.5 | Confident | 73 Ų | 73 | 110.2 Ų | 110.2 | 60% | 0.603 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 2.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y5 W6 R7 V11 | Y5-A9 PolarHBondContact O-N 2.94Å; W6-A9 PolarHBondContact O-N 3.1Å; R7-A9 VanDerWaalsContact C-N 3.28Å; R7-A9 PolarHBondContact O-N 3.46Å; A9-V11 HydrophobicContact CB-CG2 3.98Å; A9-V11 PolarHBondContact O-N 3.42Å |
| 10 | G | 88.8 | Confident | 85.9 | Confident | 71 Ų | 71 | 106.8 Ų | 106.8 | 73% | 0.732 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 14 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R7 M8 | R7-G10 PolarHBondContact O-N 3.45Å; R7-G10 VanDerWaalsContact O-N 3.13Å; M8-G10 PolarHBondContact O-N 3.45Å |
| 11 | V | 89.8 | Confident | 86.2 | Confident | 38 Ų | 38 | 102.7 Ų | 102.7 | 23% | 0.23 | 52% | 0.524 | C | S | . | . | trans | -87.2 | 127.3 | -179.3 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | W6 A9 R15 | W6-V11 WeakPolarHBondContact O-CB 3.37Å; W6-V11 PolarHBondContact O-N 3.36Å; A9-V11 HydrophobicContact CB-CG2 3.98Å; A9-V11 PolarHBondContact O-N 3.42Å; V11-R15 HydrophobicContact CG1-CB 3.51Å; V11-R15 HydrophobicContact CG1-CG 3.5Å | ||
| 12 | N | 91.6 | Very high | 87.8 | Confident | 90 Ų | 90 | 97.2 Ų | 97.2 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | trans | -73.4 | 161.9 | 172 | 68.2 | 33.1 | 0 | 0 | 0 | 110.6 | I14 R15 Y16 | N12-I14 PolarHBondContact O-N 3.07Å; N12-I14 PolarHBondContact OD1-N 3.38Å; N12-R15 PolarHBondContact O-N 2.92Å; N12-R15 VanDerWaalsContact OD1-CB 3.27Å; N12-R15 WeakPolarHBondContact OD1-CB 3.49Å; N12-R15 PolarHBondContact OD1-N 3.33Å; N12-Y16 PolarHBondContact O-N 3.35Å | ||
| 13 | Y | 89.8 | Confident | 88.9 | Confident | 146 Ų | 146 | 95.9 Ų | 95.9 | 57% | 0.573 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.7 | -36.9 | -177.6 | 175.6 | -105.4 | 0 | 0 | 0 | 112.8 | W6 R15 Y16 S17 | W6-Y13 HydrophobicContact CH2-CD2 4.31Å; Y13-R15 PolarHBondContact O-N 3.43Å; Y13-Y16 HydrophobicContact CD2-CD1 4.47Å; Y13-Y16 PolarHBondContact O-N 3.26Å; Y13-S17 PolarHBondContact O-N 3.45Å |
| 14 | I | 91.7 | Very high | 89.8 | Confident | 113 Ų | 113 | 95.7 Ų | 95.7 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59 | -51 | 178.3 | -60.6 | 174.1 | 0 | 0 | 0 | 109.7 | N12 Y16 S17 E18 | N12-I14 PolarHBondContact O-N 3.07Å; N12-I14 PolarHBondContact OD1-N 3.38Å; I14-Y16 VanDerWaalsContact C-N 3.34Å; I14-Y16 PolarHBondContact O-N 3.32Å; I14-S17 WeakPolarHBondContact O-CB 3.48Å; I14-S17 PolarHBondContact O-N 2.88Å; I14-S17 VanDerWaalsContact O-N 3.17Å; I14-E18 HydrophobicContact CG2-CG 4.46Å; I14-E18 WeakPolarHBondContact O-CG 3.38Å; I14-E18 PolarHBondContact O-N 3.13Å |
| 15 | R | 90.7 | Very high | 90.1 | Very high | 139 Ų | 139 | 94.2 Ų | 94.2 | 53% | 0.525 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | -179.4 | -177.3 | 58.2 | 171.4 | -171.8 | -0.6 | 112.3 | V11 N12 Y13 E18 I19 | V11-R15 HydrophobicContact CG1-CB 3.51Å; V11-R15 HydrophobicContact CG1-CG 3.5Å; N12-R15 PolarHBondContact O-N 2.92Å; N12-R15 VanDerWaalsContact OD1-CB 3.27Å; N12-R15 WeakPolarHBondContact OD1-CB 3.49Å; N12-R15 PolarHBondContact OD1-N 3.33Å; Y13-R15 PolarHBondContact O-N 3.43Å; R15-E18 WeakPolarHBondContact CD-OE2 3.28Å; R15-E18 IonicContact CZ-OE2 3.93Å; R15-E18 IonicContact NH1-OE2 3.01Å; R15-E18 PolarHBondContact NH1-OE2 3.28Å; R15-E18 PolarHBondContact O-N 3.05Å; R15-I19 HydrophobicContact CG-CD1 4.17Å; R15-I19 WeakPolarHBondContact O-CD1 3.28Å; R15-I19 VanDerWaalsContact O-CG1 3.23Å; R15-I19 WeakPolarHBondContact O-CG1 3.29Å; R15-I19 PolarHBondContact O-N 3.48Å |
| 16 | Y | 91.3 | Very high | 90.3 | Very high | 110 Ų | 110 | 87.6 Ų | 87.6 | 43% | 0.431 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 172 | 171.3 | -101.3 | 0 | 0 | 0 | 111.5 | W6 N12 Y13 I14 E18 I19 A20 | W6-Y16 HydrophobicContact CB-CD2 3.68Å; W6-Y16 HydrophobicContact CB-CE2 4.33Å; W6-Y16 HydrophobicContact CB-CG 4.2Å; W6-Y16 AromaticContact CD1-CD2 4Å; W6-Y16 AromaticContact CD1-CE2 3.98Å; W6-Y16 HydrophobicContact CD2-CG 4.38Å; W6-Y16 AromaticContact CG-CD2 3.85Å; W6-Y16 HydrophobicContact CG-CD2 3.85Å; W6-Y16 HydrophobicContact CG-CE2 4.29Å; W6-Y16 HydrophobicContact CG-CG 4.09Å; N12-Y16 PolarHBondContact O-N 3.35Å; Y13-Y16 HydrophobicContact CD2-CD1 4.47Å; Y13-Y16 PolarHBondContact O-N 3.26Å; I14-Y16 VanDerWaalsContact C-N 3.34Å; I14-Y16 PolarHBondContact O-N 3.32Å; Y16-E18 PolarHBondContact O-N 3.29Å; Y16-I19 PolarHBondContact O-N 2.62Å; Y16-A20 PolarHBondContact O-N 3.28Å |
| 17 | S | 92.2 | Very high | 90.7 | Very high | 61 Ų | 61 | 90 Ų | 90 | 43% | 0.427 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 177.6 | -173.7 | 0 | 0 | 0 | 0 | 112.7 | Y13 I14 A20 G21 | Y13-S17 PolarHBondContact O-N 3.45Å; I14-S17 WeakPolarHBondContact O-CB 3.48Å; I14-S17 PolarHBondContact O-N 2.88Å; I14-S17 VanDerWaalsContact O-N 3.17Å; S17-A20 PolarHBondContact O-N 3.33Å; S17-G21 PolarHBondContact O-N 3.43Å |
| 18 | E | 91.8 | Very high | 90.9 | Very high | 95 Ų | 95 | 85.9 Ų | 85.9 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 174.3 | -75.1 | 176.5 | 166.5 | 0 | 0 | 111.5 | I14 R15 Y16 G21 K22 | I14-E18 HydrophobicContact CG2-CG 4.46Å; I14-E18 WeakPolarHBondContact O-CG 3.38Å; I14-E18 PolarHBondContact O-N 3.13Å; R15-E18 WeakPolarHBondContact CD-OE2 3.28Å; R15-E18 IonicContact CZ-OE2 3.93Å; R15-E18 IonicContact NH1-OE2 3.01Å; R15-E18 PolarHBondContact NH1-OE2 3.28Å; R15-E18 PolarHBondContact O-N 3.05Å; Y16-E18 PolarHBondContact O-N 3.29Å; E18-G21 PolarHBondContact O-N 3.05Å; E18-K22 WeakPolarHBondContact O-CB 3.42Å; E18-K22 PolarHBondContact O-N 2.87Å |
| 19 | I | 91.1 | Very high | 91.2 | Very high | 74 Ų | 74 | 88.4 Ų | 88.4 | 38% | 0.379 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 178.7 | -68.1 | 163.3 | 0 | 0 | 0 | 110.3 | R15 Y16 G21 K22 I23 | R15-I19 HydrophobicContact CG-CD1 4.17Å; R15-I19 WeakPolarHBondContact O-CD1 3.28Å; R15-I19 VanDerWaalsContact O-CG1 3.23Å; R15-I19 WeakPolarHBondContact O-CG1 3.29Å; R15-I19 PolarHBondContact O-N 3.48Å; Y16-I19 PolarHBondContact O-N 2.62Å; I19-G21 VanDerWaalsContact C-N 3.33Å; I19-G21 PolarHBondContact O-N 3.46Å; I19-K22 WeakPolarHBondContact O-CB 3.32Å; I19-K22 PolarHBondContact O-N 3.01Å; I19-I23 HydrophobicContact CG2-CD1 4.02Å; I19-I23 WeakPolarHBondContact O-CG1 3.5Å; I19-I23 PolarHBondContact O-N 3.46Å |
| 20 | A | 92.3 | Very high | 91.4 | Very high | 41 Ų | 41 | 89.6 Ų | 89.6 | 34% | 0.339 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y16 S17 K22 I23 V24 | Y16-A20 PolarHBondContact O-N 3.28Å; S17-A20 PolarHBondContact O-N 3.33Å; A20-K22 PolarHBondContact O-N 3.17Å; A20-I23 PolarHBondContact O-N 3.12Å; A20-V24 WeakPolarHBondContact O-CG2 3.48Å; A20-V24 PolarHBondContact O-N 3.17Å |
| 21 | G | 92.5 | Very high | 91.3 | Very high | 21 Ų | 21 | 91.1 Ų | 91.1 | 22% | 0.216 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S17 E18 I19 V24 R25 | S17-G21 PolarHBondContact O-N 3.43Å; E18-G21 PolarHBondContact O-N 3.05Å; I19-G21 VanDerWaalsContact C-N 3.33Å; I19-G21 PolarHBondContact O-N 3.46Å; G21-V24 PolarHBondContact O-N 3.26Å; G21-R25 VanDerWaalsContact O-CG 3.29Å; G21-R25 WeakPolarHBondContact O-CG 3.37Å; G21-R25 PolarHBondContact O-N 2.92Å |
| 22 | K | 91.6 | Very high | 91.3 | Very high | 106 Ų | 106 | 94.1 Ų | 94.1 | 46% | 0.461 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 174.1 | 165.5 | 167.7 | -174.2 | 116.5 | 0 | 112.2 | E18 I19 A20 R25 S26 E40 | E18-K22 WeakPolarHBondContact O-CB 3.42Å; E18-K22 PolarHBondContact O-N 2.87Å; I19-K22 WeakPolarHBondContact O-CB 3.32Å; I19-K22 PolarHBondContact O-N 3.01Å; A20-K22 PolarHBondContact O-N 3.17Å; K22-R25 PolarHBondContact O-N 2.86Å; K22-S26 WeakPolarHBondContact O-CB 3.37Å; K22-S26 PolarHBondContact O-N 3.25Å; K22-S26 PolarHBondContact O-OG 3.01Å; K22-E40 VanDerWaalsContact CG-OE1 3.29Å; K22-E40 WeakPolarHBondContact CG-OE1 3.46Å; K22-E40 IonicContact NZ-OE2 2.73Å; K22-E40 PolarHBondContact NZ-OE2 3.33Å |
| 23 | I | 92.3 | Very high | 91.2 | Very high | 98 Ų | 98 | 94.7 Ų | 94.7 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 178 | -66.5 | 167.4 | 0 | 0 | 0 | 110 | I19 A20 R25 S26 C27 | I19-I23 HydrophobicContact CG2-CD1 4.02Å; I19-I23 WeakPolarHBondContact O-CG1 3.5Å; I19-I23 PolarHBondContact O-N 3.46Å; A20-I23 PolarHBondContact O-N 3.12Å; I23-R25 VanDerWaalsContact C-N 3.31Å; I23-R25 PolarHBondContact O-N 3.31Å; I23-S26 WeakPolarHBondContact O-CA 3.4Å; I23-S26 WeakPolarHBondContact O-CB 3.33Å; I23-S26 PolarHBondContact O-N 2.9Å; I23-C27 PolarHBondContact O-N 3.2Å; I23-C27 VanDerWaalsContact O-N 3.1Å; I23-C27 PolarHBondContact O-SG 3.46Å |
| 24 | V | 92.1 | Very high | 91.1 | Very high | 99 Ų | 99 | 90.7 Ų | 90.7 | 60% | 0.6 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -57.3 | -43.5 | 179 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | A20 G21 S26 C27 | A20-V24 WeakPolarHBondContact O-CG2 3.48Å; A20-V24 PolarHBondContact O-N 3.17Å; G21-V24 PolarHBondContact O-N 3.26Å; V24-S26 VanDerWaalsContact C-N 3.31Å; V24-S26 PolarHBondContact O-N 3.42Å; V24-C27 PolarHBondContact O-N 3.42Å |
| 25 | R | 91.4 | Very high | 91 | Very high | 80 Ų | 80 | 90.8 Ų | 90.8 | 30% | 0.302 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -34.1 | 176.8 | -66.9 | 175.7 | -159.5 | 134.2 | 2.3 | 112.6 | G21 K22 I23 C27 L28 A36 | G21-R25 VanDerWaalsContact O-CG 3.29Å; G21-R25 WeakPolarHBondContact O-CG 3.37Å; G21-R25 PolarHBondContact O-N 2.92Å; K22-R25 PolarHBondContact O-N 2.86Å; I23-R25 VanDerWaalsContact C-N 3.31Å; I23-R25 PolarHBondContact O-N 3.31Å; R25-C27 VanDerWaalsContact C-N 3.28Å; R25-C27 PolarHBondContact O-N 3.08Å; R25-L28 WeakPolarHBondContact O-CB 3.45Å; R25-L28 PolarHBondContact O-N 3.23Å; R25-A36 HydrophobicContact CB-CB 3.9Å; R25-A36 HydrophobicContact CG-CB 3.89Å |
| 26 | S | 90.2 | Very high | 90.9 | Very high | 44 Ų | 44 | 84.4 Ų | 84.4 | 31% | 0.308 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.3 | -24.6 | 178.1 | -60.8 | 0 | 0 | 0 | 0 | 112.9 | K22 I23 V24 L28 | K22-S26 WeakPolarHBondContact O-CB 3.37Å; K22-S26 PolarHBondContact O-N 3.25Å; K22-S26 PolarHBondContact O-OG 3.01Å; I23-S26 WeakPolarHBondContact O-CA 3.4Å; I23-S26 WeakPolarHBondContact O-CB 3.33Å; I23-S26 PolarHBondContact O-N 2.9Å; V24-S26 VanDerWaalsContact C-N 3.31Å; V24-S26 PolarHBondContact O-N 3.42Å; S26-L28 VanDerWaalsContact C-N 3.32Å |
| 27 | C | 92.9 | Very high | 90.6 | Very high | 103 Ų | 103 | 82 Ų | 82 | 70% | 0.696 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -8.6 | 176.9 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | I23 V24 R25 | I23-C27 PolarHBondContact O-N 3.2Å; I23-C27 VanDerWaalsContact O-N 3.1Å; I23-C27 PolarHBondContact O-SG 3.46Å; V24-C27 PolarHBondContact O-N 3.42Å; R25-C27 VanDerWaalsContact C-N 3.28Å; R25-C27 PolarHBondContact O-N 3.08Å |
| 28 | L | 91.4 | Very high | 90.3 | Very high | 73 Ų | 73 | 87.3 Ų | 87.3 | 38% | 0.382 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -69.8 | 152.4 | 177.1 | -65.9 | 168.9 | 0 | 0 | 0 | 111.1 | R25 S26 L32 R33 A36 | R25-L28 WeakPolarHBondContact O-CB 3.45Å; R25-L28 PolarHBondContact O-N 3.23Å; S26-L28 VanDerWaalsContact C-N 3.32Å; L28-L32 HydrophobicContact CB-CB 4.42Å; L28-R33 HydrophobicContact CB-CB 4.13Å; L28-R33 WeakPolarHBondContact O-CB 3.5Å; L28-A36 HydrophobicContact CD1-CB 3.87Å |
| 29 | K | 91.9 | Very high | 89.8 | Confident | 182 Ų | 182 | 91 Ų | 91 | 79% | 0.791 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 154.9 | 171.6 | -164.6 | 173.1 | 180 | 178.3 | 0 | 110.3 | L32 R33 | K29-L32 PolarHBondContact O-N 3.36Å; K29-L32 VanDerWaalsContact O-N 3.09Å; K29-R33 PolarHBondContact O-N 2.94Å; K29-R33 VanDerWaalsContact O-N 3.14Å |
| 30 | E | 91.5 | Very high | 89.2 | Confident | 97 Ų | 97 | 90 Ų | 90 | 45% | 0.453 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 142.2 | 168.4 | -64.8 | -55.7 | 151.6 | 0 | 0 | 110.8 | R33 S34 | E30-R33 WeakPolarHBondContact OE1-CB 3.35Å; E30-R33 WeakPolarHBondContact OE1-CD 3.23Å; E30-S34 PolarHBondContact OE1-OG 3.2Å; E30-S34 WeakPolarHBondContact OE2-CB 3.29Å; E30-S34 PolarHBondContact OE2-N 3.03Å; E30-S34 PolarHBondContact OE2-OG 2.78Å |
| 31 | P | 88.5 | Confident | 88.3 | Confident | 104 Ų | 104 | 91 Ų | 91 | 68% | 0.675 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -90.1 | -5.3 | 7.6 | 35.2 | -36.1 | 0 | 0 | 0 | 115.3 | R33 S34 E35 | P31-R33 VanDerWaalsContact C-N 3.27Å; P31-R33 PolarHBondContact O-N 3.32Å; P31-S34 PolarHBondContact O-N 3.49Å; P31-E35 PolarHBondContact O-N 3.06Å |
| 32 | L | 89.1 | Confident | 87.6 | Confident | 100 Ų | 100 | 95.8 Ų | 95.8 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -32 | -173.5 | -62.9 | 175.6 | 0 | 0 | 0 | 112.6 | L28 K29 E35 A36 | L28-L32 HydrophobicContact CB-CB 4.42Å; K29-L32 PolarHBondContact O-N 3.36Å; K29-L32 VanDerWaalsContact O-N 3.09Å; L32-E35 PolarHBondContact O-N 3.43Å; L32-A36 VanDerWaalsContact O-CB 3.28Å; L32-A36 WeakPolarHBondContact O-CB 3.48Å; L32-A36 PolarHBondContact O-N 3.45Å |
| 33 | R | 88.6 | Confident | 86.9 | Confident | 103 Ų | 103 | 97.1 Ų | 97.1 | 39% | 0.389 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.7 | -51.8 | 174.7 | 179.4 | 177.8 | 178.6 | -164 | 2.5 | 111.6 | L28 K29 E30 P31 E35 A36 L37 | L28-R33 HydrophobicContact CB-CB 4.13Å; L28-R33 WeakPolarHBondContact O-CB 3.5Å; K29-R33 PolarHBondContact O-N 2.94Å; K29-R33 VanDerWaalsContact O-N 3.14Å; E30-R33 WeakPolarHBondContact OE1-CB 3.35Å; E30-R33 WeakPolarHBondContact OE1-CD 3.23Å; P31-R33 VanDerWaalsContact C-N 3.27Å; P31-R33 PolarHBondContact O-N 3.32Å; R33-E35 VanDerWaalsContact C-N 3.28Å; R33-E35 PolarHBondContact O-N 2.73Å; R33-A36 PolarHBondContact O-N 3.44Å; R33-A36 VanDerWaalsContact O-N 3.13Å; R33-L37 HydrophobicContact CG-CD1 3.84Å; R33-L37 HydrophobicContact CG-CG 4.2Å; R33-L37 WeakPolarHBondContact O-CB 3.44Å; R33-L37 VanDerWaalsContact O-CG 3.28Å; R33-L37 WeakPolarHBondContact O-CG 3.42Å; R33-L37 PolarHBondContact O-N 3.05Å |
| 34 | S | 88.7 | Confident | 86.4 | Confident | 61 Ų | 61 | 97.2 Ų | 97.2 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.7 | -40.5 | 178.5 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | E30 P31 | E30-S34 PolarHBondContact OE1-OG 3.2Å; E30-S34 WeakPolarHBondContact OE2-CB 3.29Å; E30-S34 PolarHBondContact OE2-N 3.03Å; E30-S34 PolarHBondContact OE2-OG 2.78Å; P31-S34 PolarHBondContact O-N 3.49Å |
| 35 | E | 89.2 | Confident | 85.9 | Confident | 115 Ų | 115 | 102 Ų | 102 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.7 | -167.2 | -174.2 | 161.5 | 0 | 0 | 112.1 | P31 L32 R33 K38 | P31-E35 PolarHBondContact O-N 3.06Å; L32-E35 PolarHBondContact O-N 3.43Å; R33-E35 VanDerWaalsContact C-N 3.28Å; R33-E35 PolarHBondContact O-N 2.73Å; E35-K38 PolarHBondContact O-N 3.13Å |
| 36 | A | 87.7 | Confident | 85.4 | Confident | 6 Ų | 6 | 107.5 Ų | 107.5 | 5% | 0.05 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -67.9 | -37.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | R25 L28 L32 R33 K38 R39 | R25-A36 HydrophobicContact CB-CB 3.9Å; R25-A36 HydrophobicContact CG-CB 3.89Å; L28-A36 HydrophobicContact CD1-CB 3.87Å; L32-A36 VanDerWaalsContact O-CB 3.28Å; L32-A36 WeakPolarHBondContact O-CB 3.48Å; L32-A36 PolarHBondContact O-N 3.45Å; R33-A36 PolarHBondContact O-N 3.44Å; R33-A36 VanDerWaalsContact O-N 3.13Å; A36-K38 VanDerWaalsContact C-N 3.27Å; A36-K38 PolarHBondContact O-N 3.48Å; A36-R39 WeakPolarHBondContact O-CB 3.27Å; A36-R39 PolarHBondContact O-N 2.98Å |
| 37 | L | 86 | Confident | 85.1 | Confident | 59 Ų | 59 | 107.6 Ų | 107.6 | 31% | 0.309 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.1 | -25.6 | 180 | -73.4 | 175.4 | 0 | 0 | 0 | 113.2 | R33 R39 E40 | R33-L37 HydrophobicContact CG-CD1 3.84Å; R33-L37 HydrophobicContact CG-CG 4.2Å; R33-L37 WeakPolarHBondContact O-CB 3.44Å; R33-L37 VanDerWaalsContact O-CG 3.28Å; R33-L37 WeakPolarHBondContact O-CG 3.42Å; R33-L37 PolarHBondContact O-N 3.05Å; L37-R39 PolarHBondContact O-N 3.24Å; L37-R39 VanDerWaalsContact O-N 3.08Å; L37-E40 WeakPolarHBondContact CD2-OE1 3.37Å; L37-E40 WeakPolarHBondContact O-CB 3.18Å; L37-E40 PolarHBondContact O-N 3.13Å |
| 38 | K | 85 | Confident | 84.6 | Confident | 172 Ų | 172 | 111.9 Ų | 111.9 | 75% | 0.748 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -56.9 | -25.9 | 174.5 | -69.1 | 174.7 | -176.3 | 178.3 | 0 | 112.7 | E35 A36 E40 | E35-K38 PolarHBondContact O-N 3.13Å; A36-K38 VanDerWaalsContact C-N 3.27Å; A36-K38 PolarHBondContact O-N 3.48Å; K38-E40 VanDerWaalsContact C-N 3.28Å; K38-E40 PolarHBondContact O-N 3.01Å |
| 39 | R | 82.7 | Confident | 84.3 | Confident | 173 Ų | 173 | 116.2 Ų | 116.2 | 65% | 0.653 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -75.3 | -11.2 | 178.7 | -62.7 | -175.8 | 173.8 | 111.8 | -0.8 | 114.1 | A36 L37 | A36-R39 WeakPolarHBondContact O-CB 3.27Å; A36-R39 PolarHBondContact O-N 2.98Å; L37-R39 PolarHBondContact O-N 3.24Å; L37-R39 VanDerWaalsContact O-N 3.08Å |
| 40 | E | 78.6 | Confident | 84 | Confident | 52 Ų | 52 | 113.9 Ų | 113.9 | 24% | 0.243 | 57% | 0.565 | C | S | . | * | G | 310 helix | trans | -80.5 | -18 | -177.6 | -65.2 | -170.4 | -178.1 | 0 | 0 | 113.7 | K22 L37 K38 T42 | K22-E40 VanDerWaalsContact CG-OE1 3.29Å; K22-E40 WeakPolarHBondContact CG-OE1 3.46Å; K22-E40 IonicContact NZ-OE2 2.73Å; K22-E40 PolarHBondContact NZ-OE2 3.33Å; L37-E40 WeakPolarHBondContact CD2-OE1 3.37Å; L37-E40 WeakPolarHBondContact O-CB 3.18Å; L37-E40 PolarHBondContact O-N 3.13Å; K38-E40 VanDerWaalsContact C-N 3.28Å; K38-E40 PolarHBondContact O-N 3.01Å; E40-T42 PolarHBondContact O-N 3.17Å; E40-T42 VanDerWaalsContact O-N 3.13Å |
| 41 | G | 73.1 | Confident | 83.5 | Confident | 63 Ų | 63 | 116.1 Ų | 116.1 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | trans | -69 | 107.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 42 | T | 77.2 | Confident | 83.1 | Confident | 121 Ų | 121 | 114.5 Ų | 114.5 | 74% | 0.742 | 58% | 0.582 | S | S | * | * | trans | -94.7 | 113.7 | 167.2 | 58.2 | 0 | 0 | 0 | 0 | 109.8 | E40 V44 | E40-T42 PolarHBondContact O-N 3.17Å; E40-T42 VanDerWaalsContact O-N 3.13Å; T42-V44 VanDerWaalsContact C-N 3.26Å; T42-V44 PolarHBondContact O-N 3.49Å | ||
| 43 | T | 77.7 | Confident | 82.6 | Confident | 135 Ų | 135 | 117.7 Ų | 117.7 | 83% | 0.828 | 59% | 0.592 | S | S | * | * | trans | -85.1 | 0.3 | 177.5 | -45.3 | 0 | 0 | 0 | 0 | 112.8 | K45 | T43-K45 PolarHBondContact O-N 3.37Š| ||
| 44 | V | 82 | Confident | 82.2 | Confident | 99 Ų | 99 | 118.3 Ų | 118.3 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 122.7 | -174.2 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | T42 F46 | T42-V44 VanDerWaalsContact C-N 3.26Å; T42-V44 PolarHBondContact O-N 3.49Å; V44-F46 HydrophobicContact CG1-CD2 4.5Å; V44-F46 HydrophobicContact CG1-CE1 4.3Å; V44-F46 HydrophobicContact CG1-CE2 4.04Å; V44-F46 HydrophobicContact CG1-CZ 3.94Å |
| 45 | K | 80.2 | Confident | 81.8 | Confident | 201 Ų | 201 | 118.3 Ų | 118.3 | 87% | 0.874 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 127.1 | 171.1 | -65.8 | -178.3 | -179.8 | 178.3 | 0 | 109 | T43 | T43-K45 PolarHBondContact O-N 3.37Š|
| 46 | F | 81.6 | Confident | 80.9 | Confident | 194 Ų | 194 | 117 Ų | 117 | 85% | 0.851 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 129.2 | 174.2 | -67.3 | -82.1 | 0 | 0 | 0 | 110.2 | V44 | V44-F46 HydrophobicContact CG1-CD2 4.5Å; V44-F46 HydrophobicContact CG1-CE1 4.3Å; V44-F46 HydrophobicContact CG1-CE2 4.04Å; V44-F46 HydrophobicContact CG1-CZ 3.94Å |
| 47 | A | 83.8 | Confident | 79.6 | Confident | 46 Ų | 46 | 126.2 Ų | 126.2 | 38% | 0.38 | 64% | 0.644 | S | S | . | * | trans | -117.8 | 119.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q54 | A47-Q54 HydrophobicContact CB-CG 4.11Å; A47-Q54 VanDerWaalsContact CB-NE2 3.28Å | ||
| 48 | R | 82.4 | Confident | 78 | Confident | 194 Ų | 194 | 127.5 Ų | 127.5 | 73% | 0.732 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.6 | 129 | 175.3 | -170.7 | 175.5 | -174.7 | 176.3 | 2.1 | 108.9 | V55 | R48-V55 PolarHBondContact O-N 3.34Å |
| 49 | W | 85.9 | Confident | 75.9 | Confident | 163 Ų | 163 | 132 Ų | 132 | 62% | 0.617 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 137.1 | 175.9 | -68.1 | 81 | 0 | 0 | 0 | 109.5 | K53 Q54 | W49-K53 VanDerWaalsContact CE3-C 3.47Å; W49-Q54 HydrophobicContact CD2-CB 4.21Å; W49-Q54 HydrophobicContact CE3-CB 4.23Å; W49-Q54 HydrophobicContact CH2-CB 4.09Å; W49-Q54 HydrophobicContact CZ2-CB 4.06Å; W49-Q54 HydrophobicContact CZ3-CB 4.18Å |
| 50 | K | 83.8 | Confident | 75.6 | Confident | 133 Ų | 133 | 130 Ų | 130 | 58% | 0.578 | 69% | 0.689 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -144.3 | 135.2 | 171.4 | -161.4 | -169.4 | 172.2 | -173.5 | 0 | 108.3 | G52 K53 V55 | K50-G52 PolarHBondContact O-N 3.2Å; K50-G52 VanDerWaalsContact O-N 3.15Å; K50-K53 PolarHBondContact N-O 2.97Å; K50-K53 PolarHBondContact O-N 3Å; K50-V55 HydrophobicContact CB-CG2 3.5Å; K50-V55 VanDerWaalsContact CB-CG2 3.5Å |
| 51 | D | 80.8 | Confident | 75.4 | Confident | 144 Ų | 144 | 134.1 Ų | 134.1 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.8 | 39.3 | 176.4 | -50.4 | -42.8 | 0 | 0 | 0 | 113.4 | K53 | D51-K53 PolarHBondContact O-N 2.84Š|
| 52 | G | 81.1 | Confident | 75.5 | Confident | 70 Ų | 70 | 138.1 Ų | 138.1 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.8 | 1.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | K50 | K50-G52 PolarHBondContact O-N 3.2Å; K50-G52 VanDerWaalsContact O-N 3.15Å |
| 53 | K | 77.8 | Confident | 75.4 | Confident | 167 Ų | 167 | 139.1 Ų | 139.1 | 73% | 0.726 | 71% | 0.714 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 145.2 | 175.5 | -66.4 | -178.6 | -178.7 | 177.9 | 0 | 110.8 | W49 K50 D51 V55 | W49-K53 VanDerWaalsContact CE3-C 3.47Å; K50-K53 PolarHBondContact N-O 2.97Å; K50-K53 PolarHBondContact O-N 3Å; D51-K53 PolarHBondContact O-N 2.84Å; K53-V55 PolarHBondContact O-N 3.15Å |
| 54 | Q | 82 | Confident | 75.3 | Confident | 116 Ų | 116 | 139.3 Ų | 139.3 | 54% | 0.542 | 71% | 0.707 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.1 | 117.8 | 169.5 | -174.1 | 177.6 | -5.2 | 0 | 0 | 107.7 | A47 W49 A56 | A47-Q54 HydrophobicContact CB-CG 4.11Å; A47-Q54 VanDerWaalsContact CB-NE2 3.28Å; W49-Q54 HydrophobicContact CD2-CB 4.21Å; W49-Q54 HydrophobicContact CE3-CB 4.23Å; W49-Q54 HydrophobicContact CH2-CB 4.09Å; W49-Q54 HydrophobicContact CZ2-CB 4.06Å; W49-Q54 HydrophobicContact CZ3-CB 4.18Å; Q54-A56 PolarHBondContact O-N 3.24Å |
| 55 | V | 79.2 | Confident | 74.8 | Confident | 61 Ų | 61 | 142 Ų | 142 | 37% | 0.37 | 71% | 0.714 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 117 | 173.7 | -170.6 | 0 | 0 | 0 | 0 | 106 | R48 K50 K53 K57 | R48-V55 PolarHBondContact O-N 3.34Å; K50-V55 HydrophobicContact CB-CG2 3.5Å; K50-V55 VanDerWaalsContact CB-CG2 3.5Å; K53-V55 PolarHBondContact O-N 3.15Å; V55-K57 PolarHBondContact O-N 3.06Å |
| 56 | A | 70 | Confident | 74.5 | Confident | 87 Ų | 87 | 137.8 Ų | 137.8 | 72% | 0.719 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 133.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108 | Q54 A58 | Q54-A56 PolarHBondContact O-N 3.24Å; A56-A58 PolarHBondContact O-N 3.26Å |
| 57 | K | 59.9 | Low | 73.9 | Confident | 201 Ų | 201 | 133.5 Ų | 133.5 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | trans | -39.4 | 108.8 | -173.2 | -161.9 | -178.1 | -176.5 | -168 | 0 | 110.2 | V55 E59 | V55-K57 PolarHBondContact O-N 3.06Å; K57-E59 PolarHBondContact O-N 3.3Å | ||
| 58 | A | 53.1 | Low | 73.1 | Confident | 86 Ų | 86 | 140.8 Ų | 140.8 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | -63.3 | 118.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | A56 | A56-A58 PolarHBondContact O-N 3.26Š| ||
| 59 | E | 41.2 | Very low | 72.2 | Confident | 267 Ų | 267 | 135.9 Ų | 135.9 | 100% | 1.248 | 72% | 0.716 | S | S | * | * | trans | -58.8 | 0 | 163.9 | -74.8 | -173.3 | 139.2 | 0 | 0 | 110.7 | K57 | K57-E59 PolarHBondContact O-N 3.3Š|
Retrieved 59 of 59 residues in 17.5 ms
(Link to these results)