| 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 | 86.4 | Confident | 95.4 | Very high | 127 Ų | 127 | 92.6 Ų | 92.6 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | 0 | -65.1 | 0 | -52.8 | -175.6 | -156.9 | 0 | 0 | 112.9 | G3 N4 A5 A22 D26 L29 | M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 3Å; M1-N4 WeakPolarHBondContact O-CA 3.34Å; M1-N4 WeakPolarHBondContact O-CB 3.44Å; M1-N4 PolarHBondContact O-N 3.4Å; M1-A5 PolarHBondContact O-N 3.3Å; M1-A22 HydrophobicContact CB-CB 3.82Å; M1-D26 HydrophobicContact SD-CB 3.92Å; M1-L29 HydrophobicContact CE-CD1 4.01Å; M1-L29 HydrophobicContact SD-CD1 3.62Å | |||
| 2 | A | 94.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 97.8 Ų | 97.8 | 15% | 0.149 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -60.7 | -32.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N4 A5 A6 I14 L19 A22 | A2-N4 VanDerWaalsContact C-N 3.29Å; A2-N4 PolarHBondContact O-N 2.84Å; A2-A5 PolarHBondContact O-N 3.43Å; A2-A6 PolarHBondContact O-N 3.46Å; A2-I14 HydrophobicContact CB-CD1 4.38Å; A2-I14 HydrophobicContact CB-CG2 4.28Å; A2-L19 HydrophobicContact CB-CD2 3.83Å; A2-A22 HydrophobicContact CB-CB 3.95Å |
| 3 | G | 96.9 | Very high | 95.7 | Very high | 29 Ų | 29 | 105.4 Ų | 105.4 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -35.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 A6 R7 | M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 3Å; G3-A6 PolarHBondContact O-N 3.13Å; G3-R7 WeakPolarHBondContact O-CG 3.35Å; G3-R7 PolarHBondContact O-N 3.3Å |
| 4 | N | 96.5 | Very high | 95.9 | Very high | 100 Ų | 100 | 103.9 Ų | 103.9 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.6 | -48.2 | 176.2 | -60.3 | 0.8 | 0 | 0 | 0 | 109.7 | M1 A2 A6 R7 D8 | M1-N4 WeakPolarHBondContact O-CA 3.34Å; M1-N4 WeakPolarHBondContact O-CB 3.44Å; M1-N4 PolarHBondContact O-N 3.4Å; A2-N4 VanDerWaalsContact C-N 3.29Å; A2-N4 PolarHBondContact O-N 2.84Å; N4-A6 PolarHBondContact O-N 2.88Å; N4-R7 CarbonylContact O-C 3.48Å; N4-R7 WeakPolarHBondContact O-CA 3.47Å; N4-R7 WeakPolarHBondContact O-CB 3.42Å; N4-R7 PolarHBondContact O-N 3.24Å; N4-D8 PolarHBondContact O-N 2.8Å |
| 5 | A | 96.2 | Very high | 96 | Very high | 12 Ų | 12 | 102.3 Ų | 102.3 | 10% | 0.099 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -56.9 | -36.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 A2 N9 H18 L21 | M1-A5 PolarHBondContact O-N 3.3Å; A2-A5 PolarHBondContact O-N 3.43Å; A5-N9 PolarHBondContact O-N 2.99Å; A5-N9 PolarHBondContact O-ND2 3.45Å; A5-H18 HydrophobicContact CB-CB 4.22Å; A5-L21 HydrophobicContact CB-CB 4.16Å |
| 6 | A | 97.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 99.3 Ų | 99.3 | 3% | 0.025 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A2 G3 N4 N9 K10 K11 I14 H18 | A2-A6 PolarHBondContact O-N 3.46Å; G3-A6 PolarHBondContact O-N 3.13Å; N4-A6 PolarHBondContact O-N 2.88Å; A6-N9 CarbonylContact O-C 3.34Å; A6-N9 PolarHBondContact O-N 2.9Å; A6-K10 PolarHBondContact O-N 3.26Å; A6-K11 CarbonylContact C-O 3.59Å; A6-K11 PolarHBondContact O-N 2.93Å; A6-K11 VanDerWaalsContact O-O 3.09Å; A6-I14 HydrophobicContact CB-CG1 4.23Å; A6-H18 HydrophobicContact CB-CB 4.47Å; A6-H18 VanDerWaalsContact CB-ND1 3.31Å; A6-H18 WeakPolarHBondContact CB-ND1 3.32Å |
| 7 | R | 97.4 | Very high | 96.2 | Very high | 193 Ų | 193 | 97.1 Ų | 97.1 | 73% | 0.728 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 176.7 | -72.2 | 176.8 | -179.6 | -169.5 | 0.8 | 112 | G3 N4 N9 K10 | G3-R7 WeakPolarHBondContact O-CG 3.35Å; G3-R7 PolarHBondContact O-N 3.3Å; N4-R7 CarbonylContact O-C 3.48Å; N4-R7 WeakPolarHBondContact O-CA 3.47Å; N4-R7 WeakPolarHBondContact O-CB 3.42Å; N4-R7 PolarHBondContact O-N 3.24Å; R7-N9 PolarHBondContact O-N 3.22Å; R7-K10 WeakPolarHBondContact O-CA 3.46Å; R7-K10 PolarHBondContact O-N 2.88Å |
| 8 | D | 95.7 | Very high | 96.3 | Very high | 127 Ų | 127 | 91.9 Ų | 91.9 | 68% | 0.679 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.8 | -33.3 | 177.9 | -61.3 | -22.3 | 0 | 0 | 0 | 111.7 | N4 K10 | N4-D8 PolarHBondContact O-N 2.8Å; D8-K10 PolarHBondContact O-N 3.04Å |
| 9 | N | 95.1 | Very high | 96.4 | Very high | 83 Ų | 83 | 91.1 Ų | 91.1 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 13.2 | 174.4 | -73.6 | -86.8 | 0 | 0 | 0 | 113.3 | A5 A6 R7 K11 | A5-N9 PolarHBondContact O-N 2.99Å; A5-N9 PolarHBondContact O-ND2 3.45Å; A6-N9 CarbonylContact O-C 3.34Å; A6-N9 PolarHBondContact O-N 2.9Å; R7-N9 PolarHBondContact O-N 3.22Å; N9-K11 HydrophobicContact CB-CG 4.47Å; N9-K11 WeakPolarHBondContact O-CG 3.5Å; N9-K11 PolarHBondContact O-N 3.4Å |
| 10 | K | 96.8 | Very high | 96.4 | Very high | 200 Ų | 200 | 87.6 Ų | 87.6 | 87% | 0.87 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 36.6 | 179.6 | -53.9 | 177.4 | -177.5 | 179.5 | 0 | 112.8 | A6 R7 D8 | A6-K10 PolarHBondContact O-N 3.26Å; R7-K10 WeakPolarHBondContact O-CA 3.46Å; R7-K10 PolarHBondContact O-N 2.88Å; D8-K10 PolarHBondContact O-N 3.04Å |
| 11 | K | 96.8 | Very high | 96.5 | Very high | 127 Ų | 127 | 84.4 Ų | 84.4 | 55% | 0.552 | 42% | 0.417 | S | S | * | . | trans | -116.8 | 143.2 | 177.2 | -58.8 | -59.4 | -179.3 | 176.7 | 0 | 110.5 | A6 N9 | A6-K11 CarbonylContact C-O 3.59Å; A6-K11 PolarHBondContact O-N 2.93Å; A6-K11 VanDerWaalsContact O-O 3.09Å; N9-K11 HydrophobicContact CB-CG 4.47Å; N9-K11 WeakPolarHBondContact O-CG 3.5Å; N9-K11 PolarHBondContact O-N 3.4Å | ||
| 12 | T | 96.7 | Very high | 97 | Very high | 154 Ų | 154 | 78.9 Ų | 78.9 | 95% | 0.945 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -86.9 | -28.1 | 173.5 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 13 | R | 98 | Very high | 97.1 | Very high | 197 Ų | 197 | 79 Ų | 79 | 74% | 0.743 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -97.7 | 136.1 | -179.6 | -170.5 | -178.2 | -65.4 | 142.1 | 0 | 111.5 | H18 | R13-H18 PolarHBondContact O-CE1 3.3Å; R13-H18 PolarHBondContact O-ND1 2.79Å |
| 14 | I | 97.6 | Very high | 97.1 | Very high | 85 Ų | 85 | 80.4 Ų | 80.4 | 44% | 0.436 | 39% | 0.385 | S | S | . | . | trans | -74.3 | 128 | 170.8 | -59.5 | 176.4 | 0 | 0 | 0 | 108.8 | A2 A6 H18 L19 | A2-I14 HydrophobicContact CB-CD1 4.38Å; A2-I14 HydrophobicContact CB-CG2 4.28Å; A6-I14 HydrophobicContact CB-CG1 4.23Å; I14-H18 HydrophobicContact CG2-CB 4.13Å; I14-L19 HydrophobicContact CG2-CD2 4.05Å; I14-L19 HydrophobicContact CG2-CG 4.18Å | ||
| 15 | I | 97.7 | Very high | 97.1 | Very high | 79 Ų | 79 | 81.1 Ų | 81.1 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | trans | -117.9 | 166.1 | 173.3 | 65.8 | 170.3 | 0 | 0 | 0 | 109.2 | R17 H18 L19 | I15-R17 HydrophobicContact CD1-CB 3.98Å; I15-R17 HydrophobicContact CG1-CB 4.03Å; I15-R17 PolarHBondContact O-N 3.39Å; I15-R17 VanDerWaalsContact O-N 3.08Å; I15-H18 PolarHBondContact N-ND1 3.49Å; I15-H18 WeakPolarHBondContact O-CB 3.25Å; I15-H18 PolarHBondContact O-N 3.2Å; I15-L19 PolarHBondContact O-N 3.24Å | ||
| 16 | P | 98.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 82.6 Ų | 82.6 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -54.1 | -33.3 | -177.9 | -29 | 36.8 | 0 | 0 | 0 | 114.6 | H18 L19 Q20 I38 A39 Q40 | P16-H18 VanDerWaalsContact C-N 3.32Å; P16-H18 PolarHBondContact O-N 3.21Å; P16-L19 WeakPolarHBondContact O-CB 3.43Å; P16-L19 PolarHBondContact O-N 2.99Å; P16-Q20 PolarHBondContact O-N 2.93Å; P16-I38 HydrophobicContact CB-CG2 4.36Å; P16-A39 WeakPolarHBondContact CB-O 3.31Å; P16-Q40 HydrophobicContact CB-CB 3.97Å; P16-Q40 HydrophobicContact CG-CB 4.14Å |
| 17 | R | 97.7 | Very high | 97.1 | Very high | 61 Ų | 61 | 90.7 Ų | 90.7 | 23% | 0.23 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -55.9 | -42.5 | 171.8 | 178.9 | 56.1 | 178 | 173.4 | -3.6 | 113.2 | I15 L19 Q20 L21 G41 V43 | I15-R17 HydrophobicContact CD1-CB 3.98Å; I15-R17 HydrophobicContact CG1-CB 4.03Å; I15-R17 PolarHBondContact O-N 3.39Å; I15-R17 VanDerWaalsContact O-N 3.08Å; R17-L19 VanDerWaalsContact C-N 3.33Å; R17-L19 PolarHBondContact O-N 3.13Å; R17-Q20 PolarHBondContact O-N 3.19Å; R17-L21 HydrophobicContact CG-CD1 4.24Å; R17-L21 HydrophobicContact CG-CG 4.44Å; R17-L21 VanDerWaalsContact O-CG 3.31Å; R17-L21 WeakPolarHBondContact O-CG 3.33Å; R17-L21 PolarHBondContact O-N 3.21Å; R17-G41 WeakPolarHBondContact CD-O 3.36Å; R17-G41 PolarHBondContact NH1-O 3.49Å; R17-V43 VanDerWaalsContact NH1-C 3.34Å; R17-V43 VanDerWaalsContact NH1-N 3.18Å; R17-V43 PolarHBondContact NH1-O 3.37Å; R17-V43 PolarHBondContact NH2-O 3.37Å |
| 18 | H | 97.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 89 Ų | 89 | 2% | 0.019 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.7 | -33.8 | -179.5 | -55 | 152.5 | 0 | 0 | 0 | 111.9 | A5 A6 R13 I14 I15 P16 A22 | A5-H18 HydrophobicContact CB-CB 4.22Å; A6-H18 HydrophobicContact CB-CB 4.47Å; A6-H18 VanDerWaalsContact CB-ND1 3.31Å; A6-H18 WeakPolarHBondContact CB-ND1 3.32Å; R13-H18 PolarHBondContact O-CE1 3.3Å; R13-H18 PolarHBondContact O-ND1 2.79Å; I14-H18 HydrophobicContact CG2-CB 4.13Å; I15-H18 PolarHBondContact N-ND1 3.49Å; I15-H18 WeakPolarHBondContact O-CB 3.25Å; I15-H18 PolarHBondContact O-N 3.2Å; P16-H18 VanDerWaalsContact C-N 3.32Å; P16-H18 PolarHBondContact O-N 3.21Å; H18-A22 WeakPolarHBondContact O-CB 3.03Å; H18-A22 PolarHBondContact O-N 3.24Å |
| 19 | L | 97.3 | Very high | 97.2 | Very high | 77 Ų | 77 | 85.8 Ų | 85.8 | 40% | 0.403 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 172.4 | -62.6 | 175.2 | 0 | 0 | 0 | 110.5 | A2 I14 I15 P16 R17 L21 A22 I23 | A2-L19 HydrophobicContact CB-CD2 3.83Å; I14-L19 HydrophobicContact CG2-CD2 4.05Å; I14-L19 HydrophobicContact CG2-CG 4.18Å; I15-L19 PolarHBondContact O-N 3.24Å; P16-L19 WeakPolarHBondContact O-CB 3.43Å; P16-L19 PolarHBondContact O-N 2.99Å; R17-L19 VanDerWaalsContact C-N 3.33Å; R17-L19 PolarHBondContact O-N 3.13Å; L19-L21 PolarHBondContact O-N 3.49Å; L19-A22 PolarHBondContact O-N 2.92Å; L19-I23 HydrophobicContact CB-CD1 4.49Å; L19-I23 WeakPolarHBondContact O-CB 3.43Å; L19-I23 WeakPolarHBondContact O-CD1 3.43Å; L19-I23 VanDerWaalsContact O-CG1 3.26Å; L19-I23 WeakPolarHBondContact O-CG1 3.44Å; L19-I23 PolarHBondContact O-N 3.2Å |
| 20 | Q | 97.5 | Very high | 97.3 | Very high | 20 Ų | 20 | 83.7 Ų | 83.7 | 9% | 0.093 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 178.2 | -176.7 | 75.2 | -2 | 0 | 0 | 111.8 | P16 R17 A22 I23 R24 G41 G42 | P16-Q20 PolarHBondContact O-N 2.93Å; R17-Q20 PolarHBondContact O-N 3.19Å; Q20-A22 PolarHBondContact O-N 3.43Å; Q20-I23 PolarHBondContact O-N 3.49Å; Q20-R24 HydrophobicContact CG-CG 4.17Å; Q20-R24 WeakPolarHBondContact O-CB 3.31Å; Q20-R24 VanDerWaalsContact O-CG 3.29Å; Q20-R24 WeakPolarHBondContact O-CG 3.39Å; Q20-R24 PolarHBondContact O-N 3.43Å; Q20-G41 WeakPolarHBondContact CB-O 3.06Å; Q20-G41 WeakPolarHBondContact CG-O 3.37Å; Q20-G42 WeakPolarHBondContact CG-O 3.27Å; Q20-G42 PolarHBondContact NE2-O 2.95Å; Q20-G42 VanDerWaalsContact NE2-O 3.16Å |
| 21 | L | 97.3 | Very high | 97.3 | Very high | 21 Ų | 21 | 82.2 Ų | 82.2 | 11% | 0.11 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 176.7 | -72.3 | 178.2 | 0 | 0 | 0 | 111.5 | A5 R17 L19 N25 L44 | A5-L21 HydrophobicContact CB-CB 4.16Å; R17-L21 HydrophobicContact CG-CD1 4.24Å; R17-L21 HydrophobicContact CG-CG 4.44Å; R17-L21 VanDerWaalsContact O-CG 3.31Å; R17-L21 WeakPolarHBondContact O-CG 3.33Å; R17-L21 PolarHBondContact O-N 3.21Å; L19-L21 PolarHBondContact O-N 3.49Å; L21-N25 VanDerWaalsContact O-CB 3.25Å; L21-N25 WeakPolarHBondContact O-CB 3.21Å; L21-N25 VanDerWaalsContact O-CG 3.28Å; L21-N25 PolarHBondContact O-N 3.01Å; L21-N25 VanDerWaalsContact O-N 3.13Å; L21-N25 PolarHBondContact O-ND2 3.49Å; L21-L44 HydrophobicContact CD2-CD2 3.65Å |
| 22 | A | 97.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 84.1 Ų | 84.1 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 A2 H18 L19 Q20 D26 | M1-A22 HydrophobicContact CB-CB 3.82Å; A2-A22 HydrophobicContact CB-CB 3.95Å; H18-A22 WeakPolarHBondContact O-CB 3.03Å; H18-A22 PolarHBondContact O-N 3.24Å; L19-A22 PolarHBondContact O-N 2.92Å; Q20-A22 PolarHBondContact O-N 3.43Å; A22-D26 WeakPolarHBondContact O-CB 3.47Å; A22-D26 PolarHBondContact O-N 3.33Å |
| 23 | I | 97.2 | Very high | 97.4 | Very high | 20 Ų | 20 | 78.9 Ų | 78.9 | 10% | 0.103 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.5 | -43.5 | -178.5 | -68.5 | 162.3 | 0 | 0 | 0 | 111.1 | L19 Q20 D26 L29 S30 L33 I38 | L19-I23 HydrophobicContact CB-CD1 4.49Å; L19-I23 WeakPolarHBondContact O-CB 3.43Å; L19-I23 WeakPolarHBondContact O-CD1 3.43Å; L19-I23 VanDerWaalsContact O-CG1 3.26Å; L19-I23 WeakPolarHBondContact O-CG1 3.44Å; L19-I23 PolarHBondContact O-N 3.2Å; Q20-I23 PolarHBondContact O-N 3.49Å; I23-D26 PolarHBondContact O-N 2.88Å; I23-D26 VanDerWaalsContact O-O 3.06Å; I23-L29 HydrophobicContact CG2-CB 4.38Å; I23-S30 WeakPolarHBondContact O-CB 3.39Å; I23-S30 PolarHBondContact O-N 3.07Å; I23-L33 HydrophobicContact CD1-CD1 3.7Å; I23-L33 HydrophobicContact CG1-CD1 3.97Å; I23-L33 HydrophobicContact CG2-CB 4.22Å; I23-L33 HydrophobicContact CG2-CD1 3.85Å; I23-I38 HydrophobicContact CD1-CD1 4.36Å; I23-I38 HydrophobicContact CD1-CG1 4.4Å |
| 24 | R | 96.7 | Very high | 97.3 | Very high | 58 Ų | 58 | 78 Ų | 78 | 22% | 0.219 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -81.2 | -20.6 | -173.7 | -60.4 | -56.7 | 176.7 | -156.1 | -2.9 | 113.8 | Q20 L33 V36 L44 | Q20-R24 HydrophobicContact CG-CG 4.17Å; Q20-R24 WeakPolarHBondContact O-CB 3.31Å; Q20-R24 VanDerWaalsContact O-CG 3.29Å; Q20-R24 WeakPolarHBondContact O-CG 3.39Å; Q20-R24 PolarHBondContact O-N 3.43Å; R24-L33 PolarHBondContact NH1-O 3.37Å; R24-V36 PolarHBondContact NH2-O 3.16Å; R24-L44 HydrophobicContact CB-CD1 3.63Å; R24-L44 HydrophobicContact CB-CD2 4.42Å; R24-L44 HydrophobicContact CB-CG 3.82Å |
| 25 | N | 96 | Very high | 97.3 | Very high | 116 Ų | 116 | 77.6 Ų | 77.6 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -84.5 | -13.3 | 172.4 | -73.8 | -39.5 | 0 | 0 | 0 | 113.2 | L21 L44 | L21-N25 VanDerWaalsContact O-CB 3.25Å; L21-N25 WeakPolarHBondContact O-CB 3.21Å; L21-N25 VanDerWaalsContact O-CG 3.28Å; L21-N25 PolarHBondContact O-N 3.01Å; L21-N25 VanDerWaalsContact O-N 3.13Å; L21-N25 PolarHBondContact O-ND2 3.49Å; N25-L44 WeakPolarHBondContact OD1-CD2 3.45Å |
| 26 | D | 96.8 | Very high | 97.3 | Very high | 43 Ų | 43 | 77.1 Ų | 77.1 | 23% | 0.23 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -101.7 | 127.1 | 177.8 | -178.1 | -101.8 | 0 | 0 | 0 | 110.5 | M1 A22 I23 E28 L29 S30 | M1-D26 HydrophobicContact SD-CB 3.92Å; A22-D26 WeakPolarHBondContact O-CB 3.47Å; A22-D26 PolarHBondContact O-N 3.33Å; I23-D26 PolarHBondContact O-N 2.88Å; I23-D26 VanDerWaalsContact O-O 3.06Å; D26-E28 PolarHBondContact OD1-N 3.37Å; D26-L29 HydrophobicContact CB-CB 4.16Å; D26-L29 HydrophobicContact CB-CD1 4.23Å; D26-L29 HydrophobicContact CB-CG 4.39Å; D26-L29 VanDerWaalsContact OD1-CB 3.3Å; D26-L29 WeakPolarHBondContact OD1-CB 3.26Å; D26-L29 WeakPolarHBondContact OD1-CG 3.44Å; D26-L29 PolarHBondContact OD1-N 2.86Å; D26-S30 WeakPolarHBondContact O-CB 3.38Å; D26-S30 PolarHBondContact O-N 3.11Å |
| 27 | E | 96.7 | Very high | 97.3 | Very high | 172 Ų | 172 | 80.7 Ų | 80.7 | 80% | 0.804 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.8 | -44.7 | -173.1 | -173 | 177.9 | 173.5 | 0 | 0 | 112 | S30 K31 | E27-S30 PolarHBondContact O-N 3.29Å; E27-K31 WeakPolarHBondContact O-CB 3.29Å; E27-K31 PolarHBondContact O-N 3.08Å |
| 28 | E | 97.9 | Very high | 97.3 | Very high | 159 Ų | 159 | 79.9 Ų | 79.9 | 74% | 0.743 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.5 | -49.2 | -177.3 | -64.5 | -174.6 | 179.5 | 0 | 0 | 111.1 | D26 K31 F32 | D26-E28 PolarHBondContact OD1-N 3.37Å; E28-K31 PolarHBondContact O-N 2.91Å; E28-F32 VanDerWaalsContact O-CB 3.27Å; E28-F32 WeakPolarHBondContact O-CB 3.18Å; E28-F32 PolarHBondContact O-N 3.49Å |
| 29 | L | 97.6 | Very high | 97.3 | Very high | 58 Ų | 58 | 83.3 Ų | 83.3 | 30% | 0.304 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.3 | -38 | 177.8 | -67.4 | 178.5 | 0 | 0 | 0 | 112.3 | M1 I23 D26 K31 F32 L33 | M1-L29 HydrophobicContact CE-CD1 4.01Å; M1-L29 HydrophobicContact SD-CD1 3.62Å; I23-L29 HydrophobicContact CG2-CB 4.38Å; D26-L29 HydrophobicContact CB-CB 4.16Å; D26-L29 HydrophobicContact CB-CD1 4.23Å; D26-L29 HydrophobicContact CB-CG 4.39Å; D26-L29 VanDerWaalsContact OD1-CB 3.3Å; D26-L29 WeakPolarHBondContact OD1-CB 3.26Å; D26-L29 WeakPolarHBondContact OD1-CG 3.44Å; D26-L29 PolarHBondContact OD1-N 2.86Å; L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 2.75Å; L29-F32 PolarHBondContact O-N 2.74Å; L29-L33 WeakPolarHBondContact O-CB 3.35Å; L29-L33 PolarHBondContact O-N 3.13Å |
| 30 | S | 96.9 | Very high | 97.3 | Very high | 39 Ų | 39 | 87.9 Ų | 87.9 | 27% | 0.273 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 177.6 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | I23 D26 E27 L33 K34 | I23-S30 WeakPolarHBondContact O-CB 3.39Å; I23-S30 PolarHBondContact O-N 3.07Å; D26-S30 WeakPolarHBondContact O-CB 3.38Å; D26-S30 PolarHBondContact O-N 3.11Å; E27-S30 PolarHBondContact O-N 3.29Å; S30-L33 CarbonylContact O-C 3.57Å; S30-K34 PolarHBondContact O-N 2.87Å |
| 31 | K | 97.8 | Very high | 97.3 | Very high | 169 Ų | 169 | 87 Ų | 87 | 74% | 0.735 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.1 | -45 | 174.9 | -175.4 | 178.3 | 179.5 | -179.3 | 0 | 111.8 | E27 E28 L29 K34 | E27-K31 WeakPolarHBondContact O-CB 3.29Å; E27-K31 PolarHBondContact O-N 3.08Å; E28-K31 PolarHBondContact O-N 2.91Å; L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 2.75Å; K31-K34 VanDerWaalsContact O-CB 3.28Å; K31-K34 WeakPolarHBondContact O-CB 3.3Å; K31-K34 PolarHBondContact O-N 2.92Å |
| 32 | F | 98 | Very high | 97.3 | Very high | 168 Ų | 168 | 88.4 Ų | 88.4 | 74% | 0.737 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 179.6 | -179.5 | -110.2 | 0 | 0 | 0 | 111.9 | E28 L29 K34 | E28-F32 VanDerWaalsContact O-CB 3.27Å; E28-F32 WeakPolarHBondContact O-CB 3.18Å; E28-F32 PolarHBondContact O-N 3.49Å; L29-F32 PolarHBondContact O-N 2.74Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-K34 PolarHBondContact O-N 3Å |
| 33 | L | 97.7 | Very high | 97.2 | Very high | 43 Ų | 43 | 93.2 Ų | 93.2 | 23% | 0.225 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 32.6 | 179.1 | -57.7 | 177.2 | 0 | 0 | 0 | 112.4 | I23 R24 L29 S30 G35 V36 | I23-L33 HydrophobicContact CD1-CD1 3.7Å; I23-L33 HydrophobicContact CG1-CD1 3.97Å; I23-L33 HydrophobicContact CG2-CB 4.22Å; I23-L33 HydrophobicContact CG2-CD1 3.85Å; R24-L33 PolarHBondContact NH1-O 3.37Å; L29-L33 WeakPolarHBondContact O-CB 3.35Å; L29-L33 PolarHBondContact O-N 3.13Å; S30-L33 CarbonylContact O-C 3.57Å; L33-G35 PolarHBondContact O-N 3.42Å; L33-V36 HydrophobicContact CB-CB 4.35Å; L33-V36 HydrophobicContact CB-CG2 4.45Å; L33-V36 HydrophobicContact CD2-CG2 4.34Å; L33-V36 PolarHBondContact O-N 3.43Å |
| 34 | K | 96.5 | Very high | 97.2 | Very high | 180 Ų | 180 | 95 Ų | 95 | 78% | 0.783 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 125.9 | 173.1 | -172.9 | 178.6 | -179 | -178.1 | 0 | 109.1 | S30 K31 F32 V36 | S30-K34 PolarHBondContact O-N 2.87Å; K31-K34 VanDerWaalsContact O-CB 3.28Å; K31-K34 WeakPolarHBondContact O-CB 3.3Å; K31-K34 PolarHBondContact O-N 2.92Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-K34 PolarHBondContact O-N 3Å; K34-V36 VanDerWaalsContact C-N 3.34Å |
| 35 | G | 97 | Very high | 97.1 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 78% | 0.784 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -7.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L33 | L33-G35 PolarHBondContact O-N 3.42Š|
| 36 | V | 98 | Very high | 97.1 | Very high | 68 Ų | 68 | 98 Ų | 98 | 41% | 0.412 | 54% | 0.543 | S | S | . | . | trans | -81.7 | 127.4 | 173 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | R24 L33 K34 I38 | R24-V36 PolarHBondContact NH2-O 3.16Å; L33-V36 HydrophobicContact CB-CB 4.35Å; L33-V36 HydrophobicContact CB-CG2 4.45Å; L33-V36 HydrophobicContact CD2-CG2 4.34Å; L33-V36 PolarHBondContact O-N 3.43Å; K34-V36 VanDerWaalsContact C-N 3.34Å; V36-I38 HydrophobicContact CG1-CD1 4.12Å | ||
| 37 | T | 97.8 | Very high | 97.1 | Very high | 131 Ų | 131 | 101.3 Ų | 101.3 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | trans | -94.5 | 121.9 | 174.8 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 38 | I | 96.9 | Very high | 97.1 | Very high | 44 Ų | 44 | 98.8 Ų | 98.8 | 23% | 0.226 | 55% | 0.548 | C | S | . | . | trans | -91.2 | 108.9 | 171.8 | -53.3 | -58.2 | 0 | 0 | 0 | 108.6 | P16 I23 V36 Q40 G41 | P16-I38 HydrophobicContact CB-CG2 4.36Å; I23-I38 HydrophobicContact CD1-CD1 4.36Å; I23-I38 HydrophobicContact CD1-CG1 4.4Å; V36-I38 HydrophobicContact CG1-CD1 4.12Å; I38-Q40 PolarHBondContact O-N 3.47Å; I38-G41 PolarHBondContact O-N 3.38Å; I38-G41 VanDerWaalsContact O-N 3.11Å | ||
| 39 | A | 98.2 | Very high | 96.9 | Very high | 76 Ų | 76 | 95 Ų | 95 | 63% | 0.628 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 137.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P16 G41 | P16-A39 WeakPolarHBondContact CB-O 3.31Å; A39-G41 PolarHBondContact O-N 2.84Å; A39-G41 VanDerWaalsContact O-N 3.13Å |
| 40 | Q | 97.6 | Very high | 96.7 | Very high | 173 Ų | 173 | 97.4 Ų | 97.4 | 81% | 0.808 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.1 | 15.4 | -177.1 | -56.7 | -65 | -29.3 | 0 | 0 | 115.2 | P16 I38 | P16-Q40 HydrophobicContact CB-CB 3.97Å; P16-Q40 HydrophobicContact CG-CB 4.14Å; I38-Q40 PolarHBondContact O-N 3.47Å |
| 41 | G | 97.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 101.8 Ų | 101.8 | 1% | 0.01 | 59% | 0.586 | C | S | . | * | trans | -81.2 | -29.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R17 Q20 I38 A39 | R17-G41 WeakPolarHBondContact CD-O 3.36Å; R17-G41 PolarHBondContact NH1-O 3.49Å; Q20-G41 WeakPolarHBondContact CB-O 3.06Å; Q20-G41 WeakPolarHBondContact CG-O 3.37Å; I38-G41 PolarHBondContact O-N 3.38Å; I38-G41 VanDerWaalsContact O-N 3.11Å; A39-G41 PolarHBondContact O-N 2.84Å; A39-G41 VanDerWaalsContact O-N 3.13Å | ||
| 42 | G | 97.2 | Very high | 96.3 | Very high | 51 Ų | 51 | 98.3 Ų | 98.3 | 53% | 0.526 | 57% | 0.574 | S | S | . | * | trans | 62.9 | -155.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q20 | Q20-G42 WeakPolarHBondContact CG-O 3.27Å; Q20-G42 PolarHBondContact NE2-O 2.95Å; Q20-G42 VanDerWaalsContact NE2-O 3.16Å | ||
| 43 | V | 96.8 | Very high | 96 | Very high | 112 Ų | 112 | 93.2 Ų | 93.2 | 68% | 0.679 | 56% | 0.558 | S | S | * | * | trans | -129.9 | 159.7 | -176 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | R17 | R17-V43 VanDerWaalsContact NH1-C 3.34Å; R17-V43 VanDerWaalsContact NH1-N 3.18Å; R17-V43 PolarHBondContact NH1-O 3.37Å; R17-V43 PolarHBondContact NH2-O 3.37Å | ||
| 44 | L | 95.5 | Very high | 95.3 | Very high | 57 Ų | 57 | 98.8 Ų | 98.8 | 30% | 0.298 | 58% | 0.58 | S | S | . | * | trans | -64 | 134.3 | 170.9 | -74 | 176.1 | 0 | 0 | 0 | 109.6 | L21 R24 N25 N46 | L21-L44 HydrophobicContact CD2-CD2 3.65Å; R24-L44 HydrophobicContact CB-CD1 3.63Å; R24-L44 HydrophobicContact CB-CD2 4.42Å; R24-L44 HydrophobicContact CB-CG 3.82Å; N25-L44 WeakPolarHBondContact OD1-CD2 3.45Å; L44-N46 PolarHBondContact O-N 3.4Å | ||
| 45 | P | 95.9 | Very high | 94.3 | Very high | 112 Ų | 112 | 99.2 Ų | 99.2 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | trans | -61.7 | 120.2 | 173 | -19.8 | 33.1 | 0 | 0 | 0 | 109.6 | ||||
| 46 | N | 96.2 | Very high | 92.8 | Very high | 126 Ų | 126 | 101.4 Ų | 101.4 | 67% | 0.674 | 58% | 0.581 | S | S | * | * | trans | -152.7 | 126.3 | 177 | -177.4 | 42.1 | 0 | 0 | 0 | 109.3 | L44 | L44-N46 PolarHBondContact O-N 3.4Š| ||
| 47 | I | 96.1 | Very high | 91.1 | Very high | 112 Ų | 112 | 104 Ų | 104 | 57% | 0.574 | 59% | 0.588 | S | S | * | * | trans | -119 | 125.3 | 176.7 | -60 | 174.4 | 0 | 0 | 0 | 107.2 | A49 L51 L52 | I47-A49 PolarHBondContact O-N 3.02Å; I47-L51 HydrophobicContact CG2-CB 3.97Å; I47-L52 HydrophobicContact CB-CD2 4.43Å; I47-L52 HydrophobicContact CG2-CD2 3.9Å; I47-L52 HydrophobicContact CG2-CG 4.38Å | ||
| 48 | Q | 96.1 | Very high | 89.4 | Confident | 119 Ų | 119 | 102.4 Ų | 102.4 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | trans | -61.1 | 136.6 | 176.1 | -67.3 | -65.2 | -21.5 | 0 | 0 | 110.1 | S50 L51 | Q48-S50 PolarHBondContact O-N 2.87Å; Q48-S50 VanDerWaalsContact O-N 3.07Å; Q48-L51 HydrophobicContact CB-CD1 4.11Å; Q48-L51 HydrophobicContact CB-CG 4.2Å; Q48-L51 WeakPolarHBondContact O-CB 3.28Å; Q48-L51 PolarHBondContact O-N 3.49Å | ||
| 49 | A | 93.8 | Very high | 87.6 | Confident | 81 Ų | 81 | 109.1 Ų | 109.1 | 67% | 0.669 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -58.1 | -28.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I47 L51 L52 | I47-A49 PolarHBondContact O-N 3.02Å; A49-L51 PolarHBondContact O-N 3.26Å; A49-L52 PolarHBondContact O-N 2.93Å |
| 50 | S | 94.1 | Very high | 85.7 | Confident | 108 Ų | 108 | 109.3 Ų | 109.3 | 76% | 0.755 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -66.9 | -20.8 | 175.3 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | Q48 | Q48-S50 PolarHBondContact O-N 2.87Å; Q48-S50 VanDerWaalsContact O-N 3.07Å |
| 51 | L | 94.1 | Very high | 83.9 | Confident | 131 Ų | 131 | 105.6 Ų | 105.6 | 69% | 0.686 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -91.2 | -6.4 | 179.1 | -57.2 | 176.8 | 0 | 0 | 0 | 112.6 | I47 Q48 A49 | I47-L51 HydrophobicContact CG2-CB 3.97Å; Q48-L51 HydrophobicContact CB-CD1 4.11Å; Q48-L51 HydrophobicContact CB-CG 4.2Å; Q48-L51 WeakPolarHBondContact O-CB 3.28Å; Q48-L51 PolarHBondContact O-N 3.49Å; A49-L51 PolarHBondContact O-N 3.26Å |
| 52 | L | 91.6 | Very high | 82.1 | Confident | 95 Ų | 95 | 114.6 Ų | 114.6 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -76 | 144.5 | 175.4 | -63.6 | 175 | 0 | 0 | 0 | 109.9 | I47 A49 K54 | I47-L52 HydrophobicContact CB-CD2 4.43Å; I47-L52 HydrophobicContact CG2-CD2 3.9Å; I47-L52 HydrophobicContact CG2-CG 4.38Å; A49-L52 PolarHBondContact O-N 2.93Å; L52-K54 PolarHBondContact O-N 2.85Å |
| 53 | P | 91.3 | Very high | 79.7 | Confident | 61 Ų | 61 | 120.4 Ų | 120.4 | 40% | 0.396 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 142 | 177.8 | 25.1 | -33.9 | 0 | 0 | 0 | 110.1 | K55 L58 | P53-K55 PolarHBondContact O-N 3.37Å; P53-L58 HydrophobicContact CB-CG 4.43Å; P53-L58 HydrophobicContact CG-CD1 4.29Å; P53-L58 HydrophobicContact CG-CD2 3.76Å; P53-L58 HydrophobicContact CG-CG 3.96Å |
| 54 | K | 84.3 | Confident | 76.9 | Confident | 160 Ų | 160 | 126.4 Ų | 126.4 | 70% | 0.696 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 138.8 | 173.3 | -67.8 | -179.5 | -178.8 | 175.7 | 0 | 107.7 | L52 T56 E57 | L52-K54 PolarHBondContact O-N 2.85Å; K54-T56 PolarHBondContact O-N 3.44Å; K54-E57 PolarHBondContact O-N 3.33Å |
| 55 | K | 75 | Confident | 76 | Confident | 190 Ų | 190 | 129.9 Ų | 129.9 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.3 | -24.9 | -175.9 | -75.7 | -179.7 | 176.7 | 177.5 | 0 | 114.3 | P53 | P53-K55 PolarHBondContact O-N 3.37Š|
| 56 | T | 64.7 | Low | 75 | Confident | 122 Ų | 122 | 130.8 Ų | 130.8 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -31.2 | 178.6 | -26.9 | 0 | 0 | 0 | 0 | 113.8 | K54 | K54-T56 PolarHBondContact O-N 3.44Š|
| 57 | E | 63.4 | Low | 73.8 | Confident | 121 Ų | 121 | 131.1 Ų | 131.1 | 57% | 0.565 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -82.4 | -28.6 | -174.7 | -67.7 | 172.3 | 176.6 | 0 | 0 | 112.9 | K54 K59 A60 | K54-E57 PolarHBondContact O-N 3.33Å; E57-K59 PolarHBondContact O-N 3.25Å; E57-K59 VanDerWaalsContact O-N 3.13Å; E57-A60 PolarHBondContact O-N 3.33Å |
| 58 | L | 60.5 | Low | 72.5 | Confident | 98 Ų | 98 | 132.2 Ų | 132.2 | 51% | 0.513 | 70% | 0.699 | S | S | . | * | G | 310 helix | trans | -64.1 | -17.9 | 180 | -71.4 | 169.6 | 0 | 0 | 0 | 114.2 | P53 | P53-L58 HydrophobicContact CB-CG 4.43Å; P53-L58 HydrophobicContact CG-CD1 4.29Å; P53-L58 HydrophobicContact CG-CD2 3.76Å; P53-L58 HydrophobicContact CG-CG 3.96Å |
| 59 | K | 59.2 | Low | 71 | Confident | 185 Ų | 185 | 133 Ų | 133 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -85.7 | -22.3 | 174 | -72.3 | -172.1 | 176.8 | -175.9 | 0 | 112.9 | E57 | E57-K59 PolarHBondContact O-N 3.25Å; E57-K59 VanDerWaalsContact O-N 3.13Å |
| 60 | A | 59.3 | Low | 69.5 | Low | 80 Ų | 80 | 136.5 Ų | 136.5 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -80.1 | -28.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E57 K62 | E57-A60 PolarHBondContact O-N 3.33Å; A60-K62 VanDerWaalsContact C-N 3.34Å; A60-K62 PolarHBondContact O-N 3.38Å |
| 61 | S | 59.7 | Low | 67.7 | Low | 96 Ų | 96 | 138.5 Ų | 138.5 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -87.5 | 8.8 | -178.4 | 52.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 62 | K | 59.5 | Low | 65.7 | Low | 189 Ų | 189 | 139.1 Ų | 139.1 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -111.2 | 17.6 | 176.7 | -95.5 | -172.4 | 178 | -177.5 | 0 | 113.9 | A60 | A60-K62 VanDerWaalsContact C-N 3.34Å; A60-K62 PolarHBondContact O-N 3.38Å |
| 63 | K | 46.9 | Very low | 63.5 | Low | 174 Ų | 174 | 142.8 Ų | 142.8 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | trans | -91.7 | 130.2 | 165.4 | -93.9 | -178.5 | 170.2 | -176.7 | 0 | 108.4 | ||||
| 64 | D | 38.5 | Very low | 61 | Low | 237 Ų | 237 | 150.2 Ų | 150.2 | 100% | 1.267 | 76% | 0.757 | S | S | * | * | trans | 85.5 | 0 | 175.8 | -46.2 | -42 | 0 | 0 | 0 | 117.5 |
Retrieved 64 of 64 residues in 35.2 ms
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