| 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 | 79.6 | Confident | 95.2 | Very high | 195 Ų | 195 | 120.2 Ų | 120.2 | 96% | 0.961 | 58% | 0.581 | S | S | * | * | 0 | -29.1 | 0 | -61.5 | -49.9 | -118.6 | 0 | 0 | 115.1 | L3 L4 R5 | M1-L3 PolarHBondContact O-N 3.47Å; M1-L4 PolarHBondContact O-N 2.94Å; M1-L4 HydrophobicContact SD-CD1 4.16Å; M1-R5 PolarHBondContact O-N 3.39Å | |||
| 2 | R | 93.6 | Very high | 95.5 | Very high | 188 Ų | 188 | 119.9 Ų | 119.9 | 71% | 0.709 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -54.2 | -52.1 | -177.7 | -178.4 | 178.9 | 172.3 | 177.2 | -0.4 | 114.5 | L4 R5 E6 | R2-L4 VanDerWaalsContact C-N 3.33Å; R2-L4 PolarHBondContact O-N 3.44Å; R2-R5 WeakPolarHBondContact O-CB 3.28Å; R2-R5 PolarHBondContact O-N 3.33Å; R2-R5 VanDerWaalsContact O-N 3.14Å; R2-E6 PolarHBondContact O-N 3.45Å |
| 3 | L | 95.8 | Very high | 95.7 | Very high | 130 Ų | 130 | 115 Ų | 115 | 68% | 0.681 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.9 | -39.5 | -178.7 | -72.4 | 173 | 0 | 0 | 0 | 112.9 | M1 R5 E6 I7 | M1-L3 PolarHBondContact O-N 3.47Å; L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 3.06Å; L3-E6 PolarHBondContact O-N 3.09Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.02Å |
| 4 | L | 96.1 | Very high | 95.9 | Very high | 124 Ų | 124 | 112.7 Ų | 112.7 | 65% | 0.649 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.2 | -37.6 | 176.8 | -71.2 | 171.9 | 0 | 0 | 0 | 111.9 | M1 R2 G8 | M1-L4 PolarHBondContact O-N 2.94Å; M1-L4 HydrophobicContact SD-CD1 4.16Å; R2-L4 VanDerWaalsContact C-N 3.33Å; R2-L4 PolarHBondContact O-N 3.44Å; L4-G8 PolarHBondContact O-N 3.14Å; L4-G8 VanDerWaalsContact O-N 3.09Å |
| 5 | R | 96.6 | Very high | 96.1 | Very high | 161 Ų | 161 | 110.3 Ų | 110.3 | 61% | 0.608 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.5 | -46.7 | 175.3 | -167.6 | -175 | 74 | -147.6 | -0.9 | 111.3 | M1 R2 L3 I7 G8 E9 | M1-R5 PolarHBondContact O-N 3.39Å; R2-R5 WeakPolarHBondContact O-CB 3.28Å; R2-R5 PolarHBondContact O-N 3.33Å; R2-R5 VanDerWaalsContact O-N 3.14Å; L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 3.06Å; R5-I7 VanDerWaalsContact C-N 3.33Å; R5-I7 PolarHBondContact O-N 2.89Å; R5-G8 WeakPolarHBondContact O-CA 3.45Å; R5-G8 PolarHBondContact O-N 3.2Å; R5-E9 WeakPolarHBondContact CD-OE1 3.3Å; R5-E9 HydrophobicContact CG-CG 4.48Å; R5-E9 WeakPolarHBondContact CG-OE1 3.34Å; R5-E9 IonicContact NE-OE1 3.57Å; R5-E9 PolarHBondContact NE-OE1 3.29Å; R5-E9 WeakPolarHBondContact O-CG 3.47Å; R5-E9 PolarHBondContact O-N 3.35Å |
| 6 | E | 96.9 | Very high | 96.3 | Very high | 87 Ų | 87 | 110 Ų | 110 | 41% | 0.407 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 179.5 | -170.4 | 168.8 | -171.1 | 0 | 0 | 111.8 | R2 L3 G8 E9 L10 | R2-E6 PolarHBondContact O-N 3.45Å; L3-E6 PolarHBondContact O-N 3.09Å; E6-G8 VanDerWaalsContact C-N 3.33Å; E6-G8 PolarHBondContact O-N 2.94Å; E6-E9 PolarHBondContact O-N 3.44Å; E6-L10 WeakPolarHBondContact O-CB 3.25Å; E6-L10 VanDerWaalsContact O-CG 3.3Å; E6-L10 WeakPolarHBondContact O-CG 3.3Å; E6-L10 PolarHBondContact O-N 3.21Å |
| 7 | I | 97.3 | Very high | 96.4 | Very high | 108 Ų | 108 | 110.1 Ų | 110.1 | 55% | 0.554 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.8 | -41.4 | 172.1 | -69.5 | 166.6 | 0 | 0 | 0 | 111.2 | L3 R5 L10 Q11 | L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.02Å; R5-I7 VanDerWaalsContact C-N 3.33Å; R5-I7 PolarHBondContact O-N 2.89Å; I7-L10 PolarHBondContact O-N 3.41Å; I7-Q11 PolarHBondContact O-N 3.31Å |
| 8 | G | 97.6 | Very high | 96.6 | Very high | 40 Ų | 40 | 108.7 Ų | 108.7 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | L4 R5 E6 L10 Q11 E12 | L4-G8 PolarHBondContact O-N 3.14Å; L4-G8 VanDerWaalsContact O-N 3.09Å; R5-G8 WeakPolarHBondContact O-CA 3.45Å; R5-G8 PolarHBondContact O-N 3.2Å; E6-G8 VanDerWaalsContact C-N 3.33Å; E6-G8 PolarHBondContact O-N 2.94Å; G8-L10 VanDerWaalsContact C-N 3.32Å; G8-L10 PolarHBondContact O-N 2.95Å; G8-Q11 PolarHBondContact O-N 3.43Å; G8-E12 PolarHBondContact O-N 3.4Å |
| 9 | E | 98 | Very high | 96.7 | Very high | 90 Ų | 90 | 109.8 Ų | 109.8 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 176.7 | -70 | 166 | -171.6 | 0 | 0 | 111.3 | R5 E6 S13 | R5-E9 WeakPolarHBondContact CD-OE1 3.3Å; R5-E9 HydrophobicContact CG-CG 4.48Å; R5-E9 WeakPolarHBondContact CG-OE1 3.34Å; R5-E9 IonicContact NE-OE1 3.57Å; R5-E9 PolarHBondContact NE-OE1 3.29Å; R5-E9 WeakPolarHBondContact O-CG 3.47Å; R5-E9 PolarHBondContact O-N 3.35Å; E6-E9 PolarHBondContact O-N 3.44Å; E9-S13 WeakPolarHBondContact O-CB 3.5Å; E9-S13 PolarHBondContact O-N 3Å; E9-S13 PolarHBondContact O-OG 2.93Å |
| 10 | L | 98 | Very high | 96.8 | Very high | 101 Ų | 101 | 110.6 Ų | 110.6 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 174.9 | -74.9 | 172.8 | 0 | 0 | 0 | 112.1 | E6 I7 G8 S13 I14 | E6-L10 WeakPolarHBondContact O-CB 3.25Å; E6-L10 VanDerWaalsContact O-CG 3.3Å; E6-L10 WeakPolarHBondContact O-CG 3.3Å; E6-L10 PolarHBondContact O-N 3.21Å; I7-L10 PolarHBondContact O-N 3.41Å; G8-L10 VanDerWaalsContact C-N 3.32Å; G8-L10 PolarHBondContact O-N 2.95Å; L10-S13 PolarHBondContact O-N 3.24Å; L10-I14 WeakPolarHBondContact O-CB 3.33Å; L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.43Å; L10-I14 PolarHBondContact O-N 2.89Å |
| 11 | Q | 98.3 | Very high | 96.9 | Very high | 98 Ų | 98 | 110.1 Ų | 110.1 | 46% | 0.458 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 177.2 | -174.7 | 61.3 | 54.5 | 0 | 0 | 111.1 | I7 G8 S13 I14 D15 | I7-Q11 PolarHBondContact O-N 3.31Å; G8-Q11 PolarHBondContact O-N 3.43Å; Q11-S13 VanDerWaalsContact C-N 3.31Å; Q11-S13 PolarHBondContact O-N 3.45Å; Q11-I14 PolarHBondContact O-N 2.94Å; Q11-D15 PolarHBondContact NE2-OD1 2.91Å; Q11-D15 VanDerWaalsContact O-CG 3.24Å; Q11-D15 PolarHBondContact O-N 3.19Å |
| 12 | E | 98.4 | Very high | 97.8 | Very high | 117 Ų | 117 | 104.4 Ų | 104.4 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.8 | -173.8 | -178.5 | 179 | 0 | 0 | 111.5 | G8 I14 D15 Q16 | G8-E12 PolarHBondContact O-N 3.4Å; E12-I14 VanDerWaalsContact C-N 3.34Å; E12-I14 PolarHBondContact O-N 2.99Å; E12-D15 PolarHBondContact O-N 3.38Å; E12-Q16 VanDerWaalsContact O-CG 3.3Å; E12-Q16 WeakPolarHBondContact O-CG 3.43Å; E12-Q16 PolarHBondContact O-N 3Å; E12-Q16 PolarHBondContact OE1-NE2 2.95Å |
| 13 | S | 98.4 | Very high | 98 | Very high | 56 Ų | 56 | 100 Ų | 100 | 39% | 0.392 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 177.1 | -59 | 0 | 0 | 0 | 0 | 111.9 | E9 L10 Q11 Q16 L17 | E9-S13 WeakPolarHBondContact O-CB 3.5Å; E9-S13 PolarHBondContact O-N 3Å; E9-S13 PolarHBondContact O-OG 2.93Å; L10-S13 PolarHBondContact O-N 3.24Å; Q11-S13 VanDerWaalsContact C-N 3.31Å; Q11-S13 PolarHBondContact O-N 3.45Å; S13-Q16 PolarHBondContact O-N 2.8Å; S13-L17 WeakPolarHBondContact O-CB 3.41Å; S13-L17 VanDerWaalsContact O-CG 3.27Å; S13-L17 WeakPolarHBondContact O-CG 3.36Å; S13-L17 PolarHBondContact O-N 2.97Å |
| 14 | I | 98.7 | Very high | 98.2 | Very high | 83 Ų | 83 | 97.6 Ų | 97.6 | 43% | 0.426 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.1 | -72.3 | 165.1 | 0 | 0 | 0 | 110.3 | L10 Q11 E12 Q16 L17 I18 | L10-I14 WeakPolarHBondContact O-CB 3.33Å; L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.43Å; L10-I14 PolarHBondContact O-N 2.89Å; Q11-I14 PolarHBondContact O-N 2.94Å; E12-I14 VanDerWaalsContact C-N 3.34Å; E12-I14 PolarHBondContact O-N 2.99Å; I14-Q16 VanDerWaalsContact C-N 3.34Å; I14-Q16 PolarHBondContact O-N 3.28Å; I14-L17 PolarHBondContact O-N 3.36Å; I14-I18 HydrophobicContact CG2-CD1 3.75Å; I14-I18 HydrophobicContact CG2-CG1 4.42Å; I14-I18 WeakPolarHBondContact O-CG1 3.27Å; I14-I18 PolarHBondContact O-N 3.45Å |
| 15 | D | 98.8 | Very high | 98.3 | Very high | 76 Ų | 76 | 96.9 Ų | 96.9 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | -179.3 | -66.2 | -20 | 0 | 0 | 0 | 111.2 | Q11 E12 I18 Q19 | Q11-D15 PolarHBondContact NE2-OD1 2.91Å; Q11-D15 VanDerWaalsContact O-CG 3.24Å; Q11-D15 PolarHBondContact O-N 3.19Å; E12-D15 PolarHBondContact O-N 3.38Å; D15-I18 PolarHBondContact O-N 3.41Å; D15-Q19 WeakPolarHBondContact O-CG 3.48Å; D15-Q19 PolarHBondContact O-N 3.38Å |
| 16 | Q | 98.7 | Very high | 98.4 | Very high | 106 Ų | 106 | 94 Ų | 94 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 174.6 | -71.7 | 176.5 | 9.3 | 0 | 0 | 112.1 | E12 S13 I14 I18 Q19 Q20 | E12-Q16 VanDerWaalsContact O-CG 3.3Å; E12-Q16 WeakPolarHBondContact O-CG 3.43Å; E12-Q16 PolarHBondContact O-N 3Å; E12-Q16 PolarHBondContact OE1-NE2 2.95Å; S13-Q16 PolarHBondContact O-N 2.8Å; I14-Q16 VanDerWaalsContact C-N 3.34Å; I14-Q16 PolarHBondContact O-N 3.28Å; Q16-I18 PolarHBondContact O-N 3.32Å; Q16-Q19 PolarHBondContact O-N 3.41Å; Q16-Q20 WeakPolarHBondContact O-CB 3.45Å; Q16-Q20 PolarHBondContact O-N 3.44Å |
| 17 | L | 98.8 | Very high | 98.5 | Very high | 111 Ų | 111 | 95.2 Ų | 95.2 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -40 | 178.2 | -74.5 | 171.2 | 0 | 0 | 0 | 112 | S13 I14 Q20 L21 | S13-L17 WeakPolarHBondContact O-CB 3.41Å; S13-L17 VanDerWaalsContact O-CG 3.27Å; S13-L17 WeakPolarHBondContact O-CG 3.36Å; S13-L17 PolarHBondContact O-N 2.97Å; I14-L17 PolarHBondContact O-N 3.36Å; L17-Q20 PolarHBondContact O-N 3.45Å; L17-L21 VanDerWaalsContact O-CB 3.32Å; L17-L21 WeakPolarHBondContact O-CB 3.36Å; L17-L21 PolarHBondContact O-N 3.39Å |
| 18 | I | 98.8 | Very high | 98.6 | Very high | 86 Ų | 86 | 95.3 Ų | 95.3 | 44% | 0.441 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 175.7 | -71 | 169.2 | 0 | 0 | 0 | 110.5 | I14 D15 Q16 L21 N22 | I14-I18 HydrophobicContact CG2-CD1 3.75Å; I14-I18 HydrophobicContact CG2-CG1 4.42Å; I14-I18 WeakPolarHBondContact O-CG1 3.27Å; I14-I18 PolarHBondContact O-N 3.45Å; D15-I18 PolarHBondContact O-N 3.41Å; Q16-I18 PolarHBondContact O-N 3.32Å; I18-L21 PolarHBondContact O-N 3.03Å; I18-N22 PolarHBondContact O-N 3.02Å; I18-N22 PolarHBondContact O-ND2 3.24Å |
| 19 | Q | 98.7 | Very high | 98.6 | Very high | 130 Ų | 130 | 98 Ų | 98 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 176.3 | -73.3 | -175.9 | 6.4 | 0 | 0 | 111.8 | D15 Q16 L21 N22 N23 | D15-Q19 WeakPolarHBondContact O-CG 3.48Å; D15-Q19 PolarHBondContact O-N 3.38Å; Q16-Q19 PolarHBondContact O-N 3.41Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 2.92Å; Q19-N22 PolarHBondContact O-N 3.49Å; Q19-N23 WeakPolarHBondContact O-CB 3.45Å; Q19-N23 VanDerWaalsContact O-CG 3.25Å; Q19-N23 PolarHBondContact O-N 3.24Å; Q19-N23 PolarHBondContact O-ND2 2.98Å |
| 20 | Q | 98.7 | Very high | 98.7 | Very high | 125 Ų | 125 | 97.8 Ų | 97.8 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 179 | -172.3 | 176.3 | 6.6 | 0 | 0 | 112.1 | Q16 L17 N23 T24 | Q16-Q20 WeakPolarHBondContact O-CB 3.45Å; Q16-Q20 PolarHBondContact O-N 3.44Å; L17-Q20 PolarHBondContact O-N 3.45Å; Q20-N23 PolarHBondContact O-N 2.88Å; Q20-T24 WeakPolarHBondContact O-CB 3.34Å; Q20-T24 PolarHBondContact O-N 3.19Å; Q20-T24 PolarHBondContact O-OG1 3.48Å |
| 21 | L | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 98.3 Ų | 98.3 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 176.1 | 179.2 | 62.3 | 0 | 0 | 0 | 110.9 | L17 I18 Q19 N23 T24 Q25 | L17-L21 VanDerWaalsContact O-CB 3.32Å; L17-L21 WeakPolarHBondContact O-CB 3.36Å; L17-L21 PolarHBondContact O-N 3.39Å; I18-L21 PolarHBondContact O-N 3.03Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 2.92Å; L21-N23 VanDerWaalsContact C-N 3.35Å; L21-N23 PolarHBondContact O-N 3.06Å; L21-T24 PolarHBondContact O-N 2.95Å; L21-Q25 HydrophobicContact CD1-CG 4.35Å; L21-Q25 WeakPolarHBondContact O-CG 3.32Å; L21-Q25 PolarHBondContact O-N 3.42Å |
| 22 | N | 98.8 | Very high | 98.7 | Very high | 76 Ų | 76 | 97.2 Ų | 97.2 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 178.5 | -72.6 | -32.4 | 0 | 0 | 0 | 111.6 | I18 Q19 T24 Q25 I26 | I18-N22 PolarHBondContact O-N 3.02Å; I18-N22 PolarHBondContact O-ND2 3.24Å; Q19-N22 PolarHBondContact O-N 3.49Å; N22-T24 VanDerWaalsContact C-N 3.32Å; N22-T24 PolarHBondContact O-N 3Å; N22-Q25 PolarHBondContact O-N 3.49Å; N22-I26 WeakPolarHBondContact O-CG1 3.37Å; N22-I26 PolarHBondContact O-N 2.88Å |
| 23 | N | 98.8 | Very high | 98.8 | Very high | 95 Ų | 95 | 95.7 Ų | 95.7 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 177.3 | -71.6 | -17.3 | 0 | 0 | 0 | 111.7 | Q19 Q20 L21 Q25 I26 I27 | Q19-N23 WeakPolarHBondContact O-CB 3.45Å; Q19-N23 VanDerWaalsContact O-CG 3.25Å; Q19-N23 PolarHBondContact O-N 3.24Å; Q19-N23 PolarHBondContact O-ND2 2.98Å; Q20-N23 PolarHBondContact O-N 2.88Å; L21-N23 VanDerWaalsContact C-N 3.35Å; L21-N23 PolarHBondContact O-N 3.06Å; N23-Q25 VanDerWaalsContact C-N 3.35Å; N23-I26 PolarHBondContact O-N 2.81Å; N23-I27 VanDerWaalsContact O-CG1 3.31Å; N23-I27 WeakPolarHBondContact O-CG1 3.31Å; N23-I27 PolarHBondContact O-N 3.41Å |
| 24 | T | 98.6 | Very high | 98.8 | Very high | 80 Ų | 80 | 96 Ų | 96 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | Q20 L21 N22 I27 H28 | Q20-T24 WeakPolarHBondContact O-CB 3.34Å; Q20-T24 PolarHBondContact O-N 3.19Å; Q20-T24 PolarHBondContact O-OG1 3.48Å; L21-T24 PolarHBondContact O-N 2.95Å; N22-T24 VanDerWaalsContact C-N 3.32Å; N22-T24 PolarHBondContact O-N 3Å; T24-I27 PolarHBondContact O-N 3.34Å; T24-H28 VanDerWaalsContact O-CB 3.28Å; T24-H28 WeakPolarHBondContact O-CB 3.28Å; T24-H28 PolarHBondContact O-N 2.97Å |
| 25 | Q | 98.8 | Very high | 98.8 | Very high | 108 Ų | 108 | 97.6 Ų | 97.6 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 176.8 | -74.6 | 174.9 | -39.1 | 0 | 0 | 112.1 | L21 N22 N23 H28 Q29 | L21-Q25 HydrophobicContact CD1-CG 4.35Å; L21-Q25 WeakPolarHBondContact O-CG 3.32Å; L21-Q25 PolarHBondContact O-N 3.42Å; N22-Q25 PolarHBondContact O-N 3.49Å; N23-Q25 VanDerWaalsContact C-N 3.35Å; Q25-H28 PolarHBondContact O-N 3.49Å; Q25-Q29 PolarHBondContact O-N 3.28Å |
| 26 | I | 98.8 | Very high | 98.8 | Very high | 100 Ų | 100 | 97.5 Ų | 97.5 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -51.5 | 175.3 | -68.1 | 165.6 | 0 | 0 | 0 | 110.4 | N22 N23 H28 Q29 D30 | N22-I26 WeakPolarHBondContact O-CG1 3.37Å; N22-I26 PolarHBondContact O-N 2.88Å; N23-I26 PolarHBondContact O-N 2.81Å; I26-H28 VanDerWaalsContact C-N 3.26Å; I26-H28 PolarHBondContact O-N 3.42Å; I26-Q29 PolarHBondContact O-N 3.46Å; I26-Q29 VanDerWaalsContact O-N 3.12Å; I26-D30 PolarHBondContact O-N 2.95Å |
| 27 | I | 98.7 | Very high | 98.8 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 59% | 0.585 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.5 | -40.1 | 178.7 | -67.1 | 165.6 | 0 | 0 | 0 | 110.9 | N23 T24 D30 L31 | N23-I27 VanDerWaalsContact O-CG1 3.31Å; N23-I27 WeakPolarHBondContact O-CG1 3.31Å; N23-I27 PolarHBondContact O-N 3.41Å; T24-I27 PolarHBondContact O-N 3.34Å; I27-D30 PolarHBondContact O-N 3.31Å; I27-L31 WeakPolarHBondContact O-CB 3.48Å; I27-L31 PolarHBondContact O-N 3.39Å |
| 28 | H | 98.8 | Very high | 98.8 | Very high | 109 Ų | 109 | 99.1 Ų | 99.1 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 177.3 | -173 | 70.5 | 0 | 0 | 0 | 111.7 | T24 Q25 I26 D30 L31 L32 | T24-H28 VanDerWaalsContact O-CB 3.28Å; T24-H28 WeakPolarHBondContact O-CB 3.28Å; T24-H28 PolarHBondContact O-N 2.97Å; Q25-H28 PolarHBondContact O-N 3.49Å; I26-H28 VanDerWaalsContact C-N 3.26Å; I26-H28 PolarHBondContact O-N 3.42Å; H28-D30 PolarHBondContact O-N 3.34Å; H28-L31 PolarHBondContact O-N 3.45Å; H28-L32 WeakPolarHBondContact O-CG 3.38Å; H28-L32 PolarHBondContact O-N 2.99Å |
| 29 | Q | 98.9 | Very high | 98.8 | Very high | 98 Ų | 98 | 100.1 Ų | 100.1 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 177.7 | -170.4 | 58.3 | 56.9 | 0 | 0 | 111.9 | Q25 I26 L31 L32 N33 | Q25-Q29 PolarHBondContact O-N 3.28Å; I26-Q29 PolarHBondContact O-N 3.46Å; I26-Q29 VanDerWaalsContact O-N 3.12Å; Q29-L31 VanDerWaalsContact C-N 3.31Å; Q29-L31 PolarHBondContact O-N 3Å; Q29-L32 PolarHBondContact O-N 3.12Å; Q29-N33 PolarHBondContact NE2-OD1 3.35Å; Q29-N33 VanDerWaalsContact O-CG 3.26Å; Q29-N33 PolarHBondContact O-N 2.96Å; Q29-N33 PolarHBondContact O-ND2 3.05Å |
| 30 | D | 98.8 | Very high | 98.8 | Very high | 84 Ų | 84 | 99.3 Ų | 99.3 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 174.8 | -74.6 | -19 | 0 | 0 | 0 | 111.8 | I26 I27 H28 N33 N34 | I26-D30 PolarHBondContact O-N 2.95Å; I27-D30 PolarHBondContact O-N 3.31Å; H28-D30 PolarHBondContact O-N 3.34Å; D30-N33 PolarHBondContact O-N 2.89Å; D30-N34 WeakPolarHBondContact O-CB 3.35Å; D30-N34 VanDerWaalsContact O-CG 3.25Å; D30-N34 PolarHBondContact O-N 3.18Å; D30-N34 PolarHBondContact O-ND2 2.87Å |
| 31 | L | 98.9 | Very high | 98.8 | Very high | 112 Ų | 112 | 96.7 Ų | 96.7 | 59% | 0.586 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 176 | -173.8 | 62.9 | 0 | 0 | 0 | 111.8 | I27 H28 Q29 N34 K35 | I27-L31 WeakPolarHBondContact O-CB 3.48Å; I27-L31 PolarHBondContact O-N 3.39Å; H28-L31 PolarHBondContact O-N 3.45Å; Q29-L31 VanDerWaalsContact C-N 3.31Å; Q29-L31 PolarHBondContact O-N 3Å; L31-N34 PolarHBondContact O-N 3Å; L31-K35 WeakPolarHBondContact O-CB 3.44Å; L31-K35 PolarHBondContact O-N 3.24Å |
| 32 | L | 98.9 | Very high | 98.8 | Very high | 75 Ų | 75 | 97.4 Ų | 97.4 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 174.8 | -70.3 | 175.8 | 0 | 0 | 0 | 111.7 | H28 Q29 K35 S36 | H28-L32 WeakPolarHBondContact O-CG 3.38Å; H28-L32 PolarHBondContact O-N 2.99Å; Q29-L32 PolarHBondContact O-N 3.12Å; L32-K35 PolarHBondContact O-N 3.36Å; L32-S36 PolarHBondContact O-N 2.86Å |
| 33 | N | 98.9 | Very high | 98.8 | Very high | 86 Ų | 86 | 97.3 Ų | 97.3 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 176.6 | -67.9 | -21.8 | 0 | 0 | 0 | 111.4 | Q29 D30 S36 R37 | Q29-N33 PolarHBondContact NE2-OD1 3.35Å; Q29-N33 VanDerWaalsContact O-CG 3.26Å; Q29-N33 PolarHBondContact O-N 2.96Å; Q29-N33 PolarHBondContact O-ND2 3.05Å; D30-N33 PolarHBondContact O-N 2.89Å; N33-S36 PolarHBondContact O-N 2.75Å; N33-R37 PolarHBondContact O-N 3.38Å |
| 34 | N | 98.8 | Very high | 98.8 | Very high | 62 Ų | 62 | 96.8 Ų | 96.8 | 33% | 0.332 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 177 | -74.6 | -32.7 | 0 | 0 | 0 | 111.8 | D30 L31 R37 L38 | D30-N34 WeakPolarHBondContact O-CB 3.35Å; D30-N34 VanDerWaalsContact O-CG 3.25Å; D30-N34 PolarHBondContact O-N 3.18Å; D30-N34 PolarHBondContact O-ND2 2.87Å; L31-N34 PolarHBondContact O-N 3Å; N34-R37 PolarHBondContact O-N 3.05Å; N34-R37 PolarHBondContact OD1-NH1 3.4Å; N34-R37 PolarHBondContact OD1-NH2 3.39Å; N34-L38 WeakPolarHBondContact O-CG 2.85Å; N34-L38 PolarHBondContact O-N 2.96Å |
| 35 | K | 98.8 | Very high | 98.8 | Very high | 117 Ų | 117 | 99.4 Ų | 99.4 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -51 | 175.2 | 176.2 | -178.2 | 168.9 | -179.9 | 0 | 110.9 | L31 L32 R37 L38 E39 | L31-K35 WeakPolarHBondContact O-CB 3.44Å; L31-K35 PolarHBondContact O-N 3.24Å; L32-K35 PolarHBondContact O-N 3.36Å; K35-R37 VanDerWaalsContact C-N 3.3Å; K35-R37 PolarHBondContact O-N 3.3Å; K35-L38 PolarHBondContact O-N 3.42Å; K35-L38 VanDerWaalsContact O-N 3.15Å; K35-E39 WeakPolarHBondContact CE-OE1 3.33Å; K35-E39 HydrophobicContact CG-CG 4.41Å; K35-E39 IonicContact NZ-OE1 2.99Å; K35-E39 WeakPolarHBondContact O-CG 3.41Å; K35-E39 PolarHBondContact O-N 2.91Å |
| 36 | S | 98.8 | Very high | 98.8 | Very high | 73 Ų | 73 | 98.3 Ų | 98.3 | 51% | 0.51 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.3 | -41.3 | -180 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | L32 N33 E39 M40 | L32-S36 PolarHBondContact O-N 2.86Å; N33-S36 PolarHBondContact O-N 2.75Å; S36-E39 PolarHBondContact O-N 3.33Å; S36-M40 PolarHBondContact O-N 3.35Å |
| 37 | R | 98.8 | Very high | 98.8 | Very high | 144 Ų | 144 | 97.9 Ų | 97.9 | 54% | 0.543 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.1 | -173.5 | 174.8 | 66.7 | -128.8 | -6 | 112.1 | N33 N34 K35 M40 D41 | N33-R37 PolarHBondContact O-N 3.38Å; N34-R37 PolarHBondContact O-N 3.05Å; N34-R37 PolarHBondContact OD1-NH1 3.4Å; N34-R37 PolarHBondContact OD1-NH2 3.39Å; K35-R37 VanDerWaalsContact C-N 3.3Å; K35-R37 PolarHBondContact O-N 3.3Å; R37-M40 PolarHBondContact O-N 3.38Å; R37-D41 PolarHBondContact O-N 2.78Å |
| 38 | L | 98.9 | Very high | 98.8 | Very high | 108 Ų | 108 | 95.4 Ų | 95.4 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.7 | -37.8 | 178.8 | -71.6 | 172 | 0 | 0 | 0 | 112.5 | N34 K35 M40 D41 L42 | N34-L38 WeakPolarHBondContact O-CG 2.85Å; N34-L38 PolarHBondContact O-N 2.96Å; K35-L38 PolarHBondContact O-N 3.42Å; K35-L38 VanDerWaalsContact O-N 3.15Å; L38-M40 VanDerWaalsContact C-N 3.35Å; L38-D41 PolarHBondContact O-N 2.87Å; L38-L42 VanDerWaalsContact O-CB 3.29Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 PolarHBondContact O-N 2.92Å |
| 39 | E | 98.9 | Very high | 98.7 | Very high | 107 Ų | 107 | 94.5 Ų | 94.5 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.7 | -73.6 | 173.6 | 159.5 | 0 | 0 | 111.5 | K35 S36 L42 S43 | K35-E39 WeakPolarHBondContact CE-OE1 3.33Å; K35-E39 HydrophobicContact CG-CG 4.41Å; K35-E39 IonicContact NZ-OE1 2.99Å; K35-E39 WeakPolarHBondContact O-CG 3.41Å; K35-E39 PolarHBondContact O-N 2.91Å; S36-E39 PolarHBondContact O-N 3.33Å; E39-L42 PolarHBondContact O-N 3.15Å; E39-S43 WeakPolarHBondContact O-CB 3.4Å; E39-S43 PolarHBondContact O-N 2.99Å |
| 40 | M | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 96.3 Ų | 96.3 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.6 | -48.1 | 174.4 | -176.1 | 61.6 | 177.2 | 0 | 0 | 111.8 | S36 R37 L38 L42 S43 I44 | S36-M40 PolarHBondContact O-N 3.35Å; R37-M40 PolarHBondContact O-N 3.38Å; L38-M40 VanDerWaalsContact C-N 3.35Å; M40-L42 VanDerWaalsContact C-N 3.28Å; M40-L42 PolarHBondContact O-N 2.99Å; M40-S43 WeakPolarHBondContact O-CB 3.39Å; M40-S43 PolarHBondContact O-N 3.45Å; M40-S43 VanDerWaalsContact O-N 3.15Å; M40-I44 HydrophobicContact CE-CD1 4.01Å; M40-I44 HydrophobicContact CE-CG1 4.2Å; M40-I44 HydrophobicContact CG-CD1 4.15Å; M40-I44 WeakPolarHBondContact O-CG1 3.29Å; M40-I44 PolarHBondContact O-N 3.15Å |
| 41 | D | 98.9 | Very high | 98.6 | Very high | 69 Ų | 69 | 95.3 Ų | 95.3 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 178.2 | -76 | -14.6 | 0 | 0 | 0 | 111.7 | R37 L38 I44 K45 | R37-D41 PolarHBondContact O-N 2.78Å; L38-D41 PolarHBondContact O-N 2.87Å; D41-I44 PolarHBondContact O-N 3.35Å; D41-K45 WeakPolarHBondContact O-CB 3.39Å; D41-K45 VanDerWaalsContact O-CG 3.25Å; D41-K45 WeakPolarHBondContact O-CG 3.5Å; D41-K45 PolarHBondContact O-N 3.3Å |
| 42 | L | 98.8 | Very high | 98.5 | Very high | 116 Ų | 116 | 92.7 Ų | 92.7 | 61% | 0.607 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | 177.2 | -170.3 | 131.5 | 0 | 0 | 0 | 111.6 | L38 E39 M40 K45 T46 | L38-L42 VanDerWaalsContact O-CB 3.29Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 PolarHBondContact O-N 2.92Å; E39-L42 PolarHBondContact O-N 3.15Å; M40-L42 VanDerWaalsContact C-N 3.28Å; M40-L42 PolarHBondContact O-N 2.99Å; L42-K45 PolarHBondContact O-N 3.5Å; L42-T46 VanDerWaalsContact O-CB 3.29Å; L42-T46 WeakPolarHBondContact O-CB 3.5Å; L42-T46 PolarHBondContact O-N 2.96Å; L42-T46 PolarHBondContact O-OG1 3.45Å |
| 43 | S | 98.8 | Very high | 98.3 | Very high | 74 Ų | 74 | 97.2 Ų | 97.2 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | E39 M40 K45 T46 N47 | E39-S43 WeakPolarHBondContact O-CB 3.4Å; E39-S43 PolarHBondContact O-N 2.99Å; M40-S43 WeakPolarHBondContact O-CB 3.39Å; M40-S43 PolarHBondContact O-N 3.45Å; M40-S43 VanDerWaalsContact O-N 3.15Å; S43-K45 PolarHBondContact O-N 3.41Å; S43-T46 PolarHBondContact O-N 2.95Å; S43-N47 WeakPolarHBondContact O-CB 3.33Å; S43-N47 PolarHBondContact O-N 3.38Å |
| 44 | I | 98.8 | Very high | 98.2 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 43% | 0.426 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 177.1 | -66.6 | 168.4 | 0 | 0 | 0 | 110.9 | M40 D41 N47 S48 | M40-I44 HydrophobicContact CE-CD1 4.01Å; M40-I44 HydrophobicContact CE-CG1 4.2Å; M40-I44 HydrophobicContact CG-CD1 4.15Å; M40-I44 WeakPolarHBondContact O-CG1 3.29Å; M40-I44 PolarHBondContact O-N 3.15Å; D41-I44 PolarHBondContact O-N 3.35Å; I44-N47 PolarHBondContact O-N 3.3Å; I44-S48 WeakPolarHBondContact O-CB 3.25Å; I44-S48 PolarHBondContact O-N 2.92Å; I44-S48 PolarHBondContact O-OG 2.91Å |
| 45 | K | 98.7 | Very high | 97.9 | Very high | 136 Ų | 136 | 103 Ų | 103 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 179.6 | -74 | 172 | -171 | -68.3 | 0 | 111.6 | D41 L42 S43 N47 S48 I49 | D41-K45 WeakPolarHBondContact O-CB 3.39Å; D41-K45 VanDerWaalsContact O-CG 3.25Å; D41-K45 WeakPolarHBondContact O-CG 3.5Å; D41-K45 PolarHBondContact O-N 3.3Å; L42-K45 PolarHBondContact O-N 3.5Å; S43-K45 PolarHBondContact O-N 3.41Å; K45-N47 VanDerWaalsContact C-N 3.34Å; K45-N47 PolarHBondContact O-N 3.43Å; K45-S48 PolarHBondContact O-N 2.91Å; K45-I49 VanDerWaalsContact O-CG1 3.31Å; K45-I49 WeakPolarHBondContact O-CG1 3.33Å; K45-I49 PolarHBondContact O-N 2.88Å |
| 46 | T | 98.7 | Very high | 97.6 | Very high | 84 Ų | 84 | 99.7 Ų | 99.7 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | L42 S43 S48 I49 Y50 | L42-T46 VanDerWaalsContact O-CB 3.29Å; L42-T46 WeakPolarHBondContact O-CB 3.5Å; L42-T46 PolarHBondContact O-N 2.96Å; L42-T46 PolarHBondContact O-OG1 3.45Å; S43-T46 PolarHBondContact O-N 2.95Å; T46-S48 PolarHBondContact O-N 3.49Å; T46-I49 PolarHBondContact O-N 2.73Å; T46-Y50 WeakPolarHBondContact O-CB 3.44Å; T46-Y50 PolarHBondContact O-N 3.48Å |
| 47 | N | 98.4 | Very high | 97.2 | Very high | 91 Ų | 91 | 99.4 Ų | 99.4 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.1 | -175.6 | 49.5 | 0 | 0 | 0 | 112.3 | S43 I44 K45 I49 Y50 I51 | S43-N47 WeakPolarHBondContact O-CB 3.33Å; S43-N47 PolarHBondContact O-N 3.38Å; I44-N47 PolarHBondContact O-N 3.3Å; K45-N47 VanDerWaalsContact C-N 3.34Å; K45-N47 PolarHBondContact O-N 3.43Å; N47-I49 PolarHBondContact O-N 3.42Å; N47-Y50 PolarHBondContact O-N 2.89Å; N47-I51 WeakPolarHBondContact O-CG1 3.4Å; N47-I51 PolarHBondContact O-N 3.45Å |
| 48 | S | 98.2 | Very high | 96.5 | Very high | 63 Ų | 63 | 94.7 Ų | 94.7 | 44% | 0.441 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | I44 K45 T46 I51 D52 | I44-S48 WeakPolarHBondContact O-CB 3.25Å; I44-S48 PolarHBondContact O-N 2.92Å; I44-S48 PolarHBondContact O-OG 2.91Å; K45-S48 PolarHBondContact O-N 2.91Å; T46-S48 PolarHBondContact O-N 3.49Å; S48-I51 PolarHBondContact O-N 3.24Å; S48-D52 WeakPolarHBondContact O-CB 3.29Å; S48-D52 PolarHBondContact O-N 2.97Å |
| 49 | I | 97.7 | Very high | 95.9 | Very high | 90 Ų | 90 | 95.3 Ų | 95.3 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 176.5 | -69.7 | 167.4 | 0 | 0 | 0 | 110.8 | K45 T46 N47 D52 R53 | K45-I49 VanDerWaalsContact O-CG1 3.31Å; K45-I49 WeakPolarHBondContact O-CG1 3.33Å; K45-I49 PolarHBondContact O-N 2.88Å; T46-I49 PolarHBondContact O-N 2.73Å; N47-I49 PolarHBondContact O-N 3.42Å; I49-D52 PolarHBondContact O-N 3.37Å; I49-R53 WeakPolarHBondContact O-CB 3.31Å; I49-R53 WeakPolarHBondContact O-CG 3.32Å; I49-R53 PolarHBondContact O-N 3.42Å |
| 50 | Y | 98 | Very high | 95.3 | Very high | 136 Ų | 136 | 96.4 Ų | 96.4 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -50.6 | 176 | 176 | -101.9 | 0 | 0 | 0 | 111.1 | T46 N47 D52 R53 E54 | T46-Y50 WeakPolarHBondContact O-CB 3.44Å; T46-Y50 PolarHBondContact O-N 3.48Å; N47-Y50 PolarHBondContact O-N 2.89Å; Y50-D52 VanDerWaalsContact C-N 3.29Å; Y50-D52 PolarHBondContact O-N 2.87Å; Y50-R53 PolarHBondContact O-N 3.22Å; Y50-E54 HydrophobicContact CD1-CG 4.48Å; Y50-E54 HydrophobicContact CD2-CG 3.88Å; Y50-E54 HydrophobicContact CE1-CG 4.13Å; Y50-E54 HydrophobicContact CE2-CG 3.46Å; Y50-E54 VanDerWaalsContact CE2-CG 3.46Å; Y50-E54 HydrophobicContact CG-CG 4.37Å; Y50-E54 WeakPolarHBondContact O-CG 3.48Å; Y50-E54 PolarHBondContact O-N 3.13Å |
| 51 | I | 97.7 | Very high | 94.6 | Very high | 62 Ų | 62 | 99 Ų | 99 | 32% | 0.318 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.2 | -45.5 | 175.9 | -70.5 | 167.2 | 0 | 0 | 0 | 110.8 | N47 S48 R53 E54 K55 C56 | N47-I51 WeakPolarHBondContact O-CG1 3.4Å; N47-I51 PolarHBondContact O-N 3.45Å; S48-I51 PolarHBondContact O-N 3.24Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.44Å; I51-E54 PolarHBondContact O-N 2.75Å; I51-K55 HydrophobicContact CG2-CD 4.4Å; I51-K55 WeakPolarHBondContact O-CA 3.45Å; I51-K55 WeakPolarHBondContact O-CB 3.37Å; I51-K55 PolarHBondContact O-N 3.36Å; I51-C56 PolarHBondContact O-N 2.95Å |
| 52 | D | 96.4 | Very high | 93.7 | Very high | 58 Ų | 58 | 99 Ų | 99 | 31% | 0.31 | 50% | 0.499 | S | S | . | . | I | π-helix | trans | -60.7 | -43.1 | -179.6 | -177 | 57.5 | 0 | 0 | 0 | 112 | S48 I49 Y50 C56 L57 R60 | S48-D52 WeakPolarHBondContact O-CB 3.29Å; S48-D52 PolarHBondContact O-N 2.97Å; I49-D52 PolarHBondContact O-N 3.37Å; Y50-D52 VanDerWaalsContact C-N 3.29Å; Y50-D52 PolarHBondContact O-N 2.87Å; D52-C56 CarbonylContact O-C 3.5Å; D52-C56 PolarHBondContact O-N 2.94Å; D52-C56 VanDerWaalsContact O-N 3.13Å; D52-C56 WeakPolarHBondContact OD1-CB 3.48Å; D52-L57 WeakPolarHBondContact O-CB 3.39Å; D52-L57 PolarHBondContact O-N 3.47Å; D52-R60 IonicContact OD1-CZ 3.78Å; D52-R60 IonicContact OD1-NE 2.63Å; D52-R60 IonicContact OD1-NH1 3.93Å; D52-R60 IonicContact OD1-NH2 3.56Å; D52-R60 PolarHBondContact OD1-NH2 3.35Å; D52-R60 IonicContact OD2-CZ 3.18Å; D52-R60 IonicContact OD2-NH1 3.91Å; D52-R60 IonicContact OD2-NH2 2.69Å; D52-R60 PolarHBondContact OD2-NH2 3.24Å |
| 53 | R | 95.5 | Very high | 92.7 | Very high | 169 Ų | 169 | 101.2 Ų | 101.2 | 64% | 0.638 | 50% | 0.504 | S | S | * | . | I | π-helix | trans | -67.3 | -48.2 | 178 | -75.6 | 178.5 | 176.5 | -177.3 | -0.4 | 112.7 | I49 Y50 I51 | I49-R53 WeakPolarHBondContact O-CB 3.31Å; I49-R53 WeakPolarHBondContact O-CG 3.32Å; I49-R53 PolarHBondContact O-N 3.42Å; Y50-R53 PolarHBondContact O-N 3.22Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.44Å |
| 54 | E | 95.7 | Very high | 91.8 | Very high | 127 Ų | 127 | 99.5 Ų | 99.5 | 59% | 0.593 | 49% | 0.491 | S | S | * | . | I | π-helix | trans | -80.4 | -31 | -172 | -62 | -56.8 | 99.3 | 0 | 0 | 113.1 | Y50 I51 | Y50-E54 HydrophobicContact CD1-CG 4.48Å; Y50-E54 HydrophobicContact CD2-CG 3.88Å; Y50-E54 HydrophobicContact CE1-CG 4.13Å; Y50-E54 HydrophobicContact CE2-CG 3.46Å; Y50-E54 VanDerWaalsContact CE2-CG 3.46Å; Y50-E54 HydrophobicContact CG-CG 4.37Å; Y50-E54 WeakPolarHBondContact O-CG 3.48Å; Y50-E54 PolarHBondContact O-N 3.13Å; I51-E54 PolarHBondContact O-N 2.75Å |
| 55 | K | 91.8 | Very high | 90.4 | Very high | 142 Ų | 142 | 102.9 Ų | 102.9 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | I | π-helix | trans | -117.8 | -37.4 | -169.8 | -56.6 | -174.7 | 179.5 | 178.6 | 0 | 113.7 | I51 L59 | I51-K55 HydrophobicContact CG2-CD 4.4Å; I51-K55 WeakPolarHBondContact O-CA 3.45Å; I51-K55 WeakPolarHBondContact O-CB 3.37Å; I51-K55 PolarHBondContact O-N 3.36Å; K55-L59 WeakPolarHBondContact O-CD1 3.49Å |
| 56 | C | 93.1 | Very high | 89 | Confident | 48 Ų | 48 | 100 Ų | 100 | 32% | 0.324 | 50% | 0.498 | S | S | . | . | I | π-helix | trans | -99.4 | -32.4 | -170.1 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | I51 D52 G58 L59 R60 | I51-C56 PolarHBondContact O-N 2.95Å; D52-C56 CarbonylContact O-C 3.5Å; D52-C56 PolarHBondContact O-N 2.94Å; D52-C56 VanDerWaalsContact O-N 3.13Å; D52-C56 WeakPolarHBondContact OD1-CB 3.48Å; C56-G58 PolarHBondContact O-N 2.69Å; C56-L59 PolarHBondContact O-N 3.01Å; C56-R60 PolarHBondContact O-N 3.38Å |
| 57 | L | 89.7 | Confident | 87.4 | Confident | 68 Ų | 68 | 100.8 Ų | 100.8 | 36% | 0.356 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | -172.5 | -176.8 | 64.5 | 0 | 0 | 0 | 112.1 | D52 R60 K61 | D52-L57 WeakPolarHBondContact O-CB 3.39Å; D52-L57 PolarHBondContact O-N 3.47Å; L57-R60 PolarHBondContact O-N 3.39Å; L57-K61 WeakPolarHBondContact O-CG 3.48Å; L57-K61 PolarHBondContact O-N 3.11Å; L57-K61 VanDerWaalsContact O-N 3.1Å |
| 58 | G | 85.6 | Confident | 86 | Confident | 45 Ų | 45 | 100.9 Ų | 100.9 | 46% | 0.464 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C56 R60 K61 T62 | C56-G58 PolarHBondContact O-N 2.69Å; G58-R60 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 2.95Å; G58-K61 WeakPolarHBondContact O-CB 3.36Å; G58-K61 PolarHBondContact O-N 3.26Å; G58-K61 VanDerWaalsContact O-N 3.16Å; G58-T62 PolarHBondContact O-N 2.63Å; G58-T62 PolarHBondContact O-OG1 3.46Å |
| 59 | L | 86.6 | Confident | 84.4 | Confident | 121 Ų | 121 | 104.5 Ų | 104.5 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.3 | -38.4 | 177.8 | -62.2 | 175.1 | 0 | 0 | 0 | 112.2 | K55 C56 T62 F63 | K55-L59 WeakPolarHBondContact O-CD1 3.49Å; C56-L59 PolarHBondContact O-N 3.01Å; L59-T62 CarbonylContact O-C 3.55Å; L59-T62 PolarHBondContact O-N 3.04Å; L59-T62 PolarHBondContact O-OG1 3.16Å; L59-F63 WeakPolarHBondContact O-CB 3.23Å; L59-F63 PolarHBondContact O-N 3.1Å; L59-F63 VanDerWaalsContact O-N 3.11Å |
| 60 | R | 86.2 | Confident | 82.9 | Confident | 130 Ų | 130 | 105.7 Ų | 105.7 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | 175.9 | -78.9 | -175.3 | -68.4 | 155.1 | 1.7 | 112.7 | D52 C56 L57 G58 T62 F63 | D52-R60 IonicContact OD1-CZ 3.78Å; D52-R60 IonicContact OD1-NE 2.63Å; D52-R60 IonicContact OD1-NH1 3.93Å; D52-R60 IonicContact OD1-NH2 3.56Å; D52-R60 PolarHBondContact OD1-NH2 3.35Å; D52-R60 IonicContact OD2-CZ 3.18Å; D52-R60 IonicContact OD2-NH1 3.91Å; D52-R60 IonicContact OD2-NH2 2.69Å; D52-R60 PolarHBondContact OD2-NH2 3.24Å; C56-R60 PolarHBondContact O-N 3.38Å; L57-R60 PolarHBondContact O-N 3.39Å; G58-R60 VanDerWaalsContact C-N 3.31Å; G58-R60 PolarHBondContact O-N 2.95Å; R60-T62 PolarHBondContact O-N 3.33Å; R60-F63 WeakPolarHBondContact O-CB 3.48Å; R60-F63 PolarHBondContact O-N 3.45Å |
| 61 | K | 83.4 | Confident | 81.2 | Confident | 166 Ų | 166 | 102.2 Ų | 102.2 | 72% | 0.722 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.8 | -28.5 | 177.4 | -75.5 | 177.6 | 177.3 | -177.6 | 0 | 112.7 | L57 G58 | L57-K61 WeakPolarHBondContact O-CG 3.48Å; L57-K61 PolarHBondContact O-N 3.11Å; L57-K61 VanDerWaalsContact O-N 3.1Å; G58-K61 WeakPolarHBondContact O-CB 3.36Å; G58-K61 PolarHBondContact O-N 3.26Å; G58-K61 VanDerWaalsContact O-N 3.16Å |
| 62 | T | 80.7 | Confident | 79.6 | Confident | 69 Ų | 69 | 105.2 Ų | 105.2 | 42% | 0.423 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.3 | 11.5 | 178.3 | 61.7 | 0 | 0 | 0 | 0 | 112 | G58 L59 R60 P64 M65 | G58-T62 PolarHBondContact O-N 2.63Å; G58-T62 PolarHBondContact O-OG1 3.46Å; L59-T62 CarbonylContact O-C 3.55Å; L59-T62 PolarHBondContact O-N 3.04Å; L59-T62 PolarHBondContact O-OG1 3.16Å; R60-T62 PolarHBondContact O-N 3.33Å; T62-P64 CarbonylContact O-C 3.2Å; T62-M65 WeakPolarHBondContact CB-SD 3.22Å; T62-M65 HydrophobicContact CG2-SD 4.39Å; T62-M65 VanDerWaalsContact O-CA 3.23Å; T62-M65 WeakPolarHBondContact O-CA 3.43Å; T62-M65 PolarHBondContact O-N 3.4Å; T62-M65 PolarHBondContact OG1-SD 3.15Å |
| 63 | F | 76.2 | Confident | 78.1 | Confident | 163 Ų | 163 | 112.8 Ų | 112.8 | 72% | 0.715 | 60% | 0.603 | S | S | * | * | trans | -85.6 | 137.5 | 179.6 | -172.4 | -89.6 | 0 | 0 | 0 | 111.5 | L59 R60 | L59-F63 WeakPolarHBondContact O-CB 3.23Å; L59-F63 PolarHBondContact O-N 3.1Å; L59-F63 VanDerWaalsContact O-N 3.11Å; R60-F63 WeakPolarHBondContact O-CB 3.48Å; R60-F63 PolarHBondContact O-N 3.45Å | ||
| 64 | P | 80.5 | Confident | 77.2 | Confident | 39 Ų | 39 | 110 Ų | 110 | 25% | 0.253 | 60% | 0.601 | S | S | . | * | S | Bend | cis | -81.4 | 133.7 | -9.8 | 29.7 | -27 | 0 | 0 | 0 | 110.5 | T62 N66 I70 | T62-P64 CarbonylContact O-C 3.2Å; P64-N66 PolarHBondContact O-N 3.05Å; P64-I70 HydrophobicContact CB-CD1 4.49Å; P64-I70 HydrophobicContact CB-CG1 4.38Å; P64-I70 HydrophobicContact CG-CD1 3.1Å; P64-I70 HydrophobicContact CG-CG1 3.3Å |
| 65 | M | 69.3 | Low | 76.3 | Confident | 154 Ų | 154 | 109.1 Ų | 109.1 | 76% | 0.759 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -64.5 | -11.7 | -176.3 | -155.8 | 83.7 | 171.3 | 0 | 0 | 112.7 | T62 | T62-M65 WeakPolarHBondContact CB-SD 3.22Å; T62-M65 HydrophobicContact CG2-SD 4.39Å; T62-M65 VanDerWaalsContact O-CA 3.23Å; T62-M65 WeakPolarHBondContact O-CA 3.43Å; T62-M65 PolarHBondContact O-N 3.4Å; T62-M65 PolarHBondContact OG1-SD 3.15Å |
| 66 | N | 69.5 | Low | 75.4 | Confident | 76 Ų | 76 | 107.2 Ų | 107.2 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | trans | -128.6 | 107.4 | 179.5 | -166.8 | -14.6 | 0 | 0 | 0 | 110.3 | P64 S68 L69 | P64-N66 PolarHBondContact O-N 3.05Å; N66-S68 PolarHBondContact O-N 2.86Å; N66-S68 VanDerWaalsContact O-N 3.1Å; N66-S68 VanDerWaalsContact OD1-CB 3.22Å; N66-S68 WeakPolarHBondContact OD1-CB 3.44Å; N66-S68 PolarHBondContact OD1-N 3.11Å; N66-S68 VanDerWaalsContact OD1-N 3.11Å; N66-S68 PolarHBondContact OD1-OG 3.1Å; N66-L69 HydrophobicContact CB-CD1 3.94Å; N66-L69 HydrophobicContact CB-CG 4.17Å; N66-L69 WeakPolarHBondContact O-CB 3.45Å; N66-L69 PolarHBondContact O-N 3.18Å | ||
| 67 | P | 64.6 | Low | 74.4 | Confident | 100 Ų | 100 | 110.7 Ų | 110.7 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -54.4 | -27.7 | 176.4 | -23.5 | 32.1 | 0 | 0 | 0 | 113.3 | L69 I70 | P67-L69 PolarHBondContact O-N 3.12Å; P67-L69 VanDerWaalsContact O-N 3.15Å; P67-I70 PolarHBondContact O-N 3.2Å; P67-I70 VanDerWaalsContact O-N 3.12Å |
| 68 | S | 69.2 | Low | 73.4 | Confident | 93 Ų | 93 | 113.4 Ų | 113.4 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -64.6 | -15.5 | 178.8 | -41.4 | 0 | 0 | 0 | 0 | 113.9 | N66 | N66-S68 PolarHBondContact O-N 2.86Å; N66-S68 VanDerWaalsContact O-N 3.1Å; N66-S68 VanDerWaalsContact OD1-CB 3.22Å; N66-S68 WeakPolarHBondContact OD1-CB 3.44Å; N66-S68 PolarHBondContact OD1-N 3.11Å; N66-S68 VanDerWaalsContact OD1-N 3.11Å; N66-S68 PolarHBondContact OD1-OG 3.1Å |
| 69 | L | 65 | Low | 72.6 | Confident | 138 Ų | 138 | 117.9 Ų | 117.9 | 72% | 0.723 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -86.8 | -9.5 | 177.1 | -67.1 | 170.3 | 0 | 0 | 0 | 113.4 | N66 P67 | N66-L69 HydrophobicContact CB-CD1 3.94Å; N66-L69 HydrophobicContact CB-CG 4.17Å; N66-L69 WeakPolarHBondContact O-CB 3.45Å; N66-L69 PolarHBondContact O-N 3.18Å; P67-L69 PolarHBondContact O-N 3.12Å; P67-L69 VanDerWaalsContact O-N 3.15Å |
| 70 | I | 65.8 | Low | 71.6 | Confident | 115 Ų | 115 | 117.7 Ų | 117.7 | 59% | 0.59 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -17.2 | -179.7 | -30 | 173.3 | 0 | 0 | 0 | 112.2 | P64 P67 | P64-I70 HydrophobicContact CB-CD1 4.49Å; P64-I70 HydrophobicContact CB-CG1 4.38Å; P64-I70 HydrophobicContact CG-CD1 3.1Å; P64-I70 HydrophobicContact CG-CG1 3.3Å; P67-I70 PolarHBondContact O-N 3.2Å; P67-I70 VanDerWaalsContact O-N 3.12Å |
| 71 | A | 62.2 | Low | 70.5 | Confident | 63 Ų | 63 | 116.8 Ų | 116.8 | 52% | 0.521 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -74.4 | 131.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V73 | A71-V73 PolarHBondContact O-N 3.36Š|
| 72 | P | 63.8 | Low | 69.4 | Low | 125 Ų | 125 | 112.7 Ų | 112.7 | 81% | 0.812 | 65% | 0.651 | S | S | * | * | trans | -64.5 | 134.4 | 168.6 | 14 | -6.1 | 0 | 0 | 0 | 108.6 | ||||
| 73 | V | 66.1 | Low | 68.4 | Low | 217 Ų | 217 | 116.6 Ų | 116.6 | 100% | 1.315 | 67% | 0.672 | S | S | * | * | trans | -60.5 | 0 | 170.8 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | A71 | A71-V73 PolarHBondContact O-N 3.36Š|
Retrieved 73 of 73 residues in 37.5 ms
(Link to these results)