| 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 | 58.4 | Low | 72.7 | Confident | 170 Ų | 170 | 82 Ų | 82 | 84% | 0.837 | 47% | 0.466 | S | S | * | . | 0 | -38.6 | 0 | -63.9 | -65.3 | -117 | 0 | 0 | 112.9 | V3 P5 A42 | M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 2.96Å; M1-P5 WeakPolarHBondContact O-CD 3.34Å; M1-A42 HydrophobicContact CE-CB 4.29Å | |||
| 2 | A | 64.7 | Low | 72.9 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | F4 P5 I6 | A2-F4 VanDerWaalsContact C-N 3.35Å; A2-F4 PolarHBondContact O-N 3.04Å; A2-P5 VanDerWaalsContact O-CD 3.3Å; A2-P5 WeakPolarHBondContact O-CD 3.49Å; A2-P5 VanDerWaalsContact O-CG 3.3Å; A2-P5 WeakPolarHBondContact O-CG 3.35Å; A2-I6 WeakPolarHBondContact O-CD1 3.36Å; A2-I6 VanDerWaalsContact O-CG1 3.3Å; A2-I6 WeakPolarHBondContact O-CG1 3.29Å |
| 3 | V | 69.6 | Low | 73.3 | Confident | 99 Ų | 99 | 83.9 Ų | 83.9 | 60% | 0.6 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.7 | -35.7 | -179.4 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | M1 I6 I7 | M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 2.96Å; V3-I6 PolarHBondContact O-N 3.39Å; V3-I7 HydrophobicContact CG1-CD1 3.67Å; V3-I7 HydrophobicContact CG1-CG1 4.29Å; V3-I7 WeakPolarHBondContact O-CG1 3.43Å; V3-I7 PolarHBondContact O-N 3.13Å |
| 4 | F | 73 | Confident | 73.4 | Confident | 46 Ų | 46 | 85.5 Ų | 85.5 | 20% | 0.202 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -60.9 | -56 | 179.7 | -179.2 | -99 | 0 | 0 | 0 | 112.7 | A2 I6 I7 C8 F31 F35 L38 | A2-F4 VanDerWaalsContact C-N 3.35Å; A2-F4 PolarHBondContact O-N 3.04Å; F4-I6 PolarHBondContact O-N 3.22Å; F4-I7 PolarHBondContact O-N 3.33Å; F4-C8 VanDerWaalsContact CD1-SG 3.57Å; F4-C8 WeakPolarHBondContact CE1-SG 3.39Å; F4-C8 VanDerWaalsContact CZ-SG 3.51Å; F4-C8 PolarHBondContact O-N 2.96Å; F4-C8 PolarHBondContact O-SG 3.31Å; F4-F31 HydrophobicContact CZ-CE2 4.2Å; F4-F31 HydrophobicContact CZ-CZ 4.12Å; F4-F35 AromaticContact CE1-CD2 3.43Å; F4-F35 HydrophobicContact CE1-CD2 3.43Å; F4-F35 VanDerWaalsContact CE1-CD2 3.43Å; F4-F35 HydrophobicContact CE1-CE2 4.06Å; F4-F35 HydrophobicContact CE1-CG 4.42Å; F4-F35 HydrophobicContact CE2-CB 4.43Å; F4-F35 HydrophobicContact CZ-CB 3.74Å; F4-F35 AromaticContact CZ-CD2 3.45Å; F4-F35 HydrophobicContact CZ-CD2 3.45Å; F4-F35 VanDerWaalsContact CZ-CD2 3.45Å; F4-F35 HydrophobicContact CZ-CE2 4.48Å; F4-F35 HydrophobicContact CZ-CG 4.05Å; F4-L38 HydrophobicContact CB-CD2 3.81Å; F4-L38 HydrophobicContact CD1-CD2 3.67Å; F4-L38 HydrophobicContact CD2-CD2 3.7Å; F4-L38 HydrophobicContact CE1-CD2 4.2Å; F4-L38 HydrophobicContact CE2-CD2 4.22Å; F4-L38 HydrophobicContact CG-CD2 3.41Å; F4-L38 VanDerWaalsContact CG-CD2 3.41Å; F4-L38 HydrophobicContact CZ-CD2 4.47Å |
| 5 | P | 75.9 | Confident | 73.2 | Confident | 66 Ų | 66 | 81.7 Ų | 81.7 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.9 | -29 | 179.3 | 21.8 | -32.3 | 0 | 0 | 0 | 113.5 | M1 A2 C8 T9 | M1-P5 WeakPolarHBondContact O-CD 3.34Å; A2-P5 VanDerWaalsContact O-CD 3.3Å; A2-P5 WeakPolarHBondContact O-CD 3.49Å; A2-P5 VanDerWaalsContact O-CG 3.3Å; A2-P5 WeakPolarHBondContact O-CG 3.35Å; P5-C8 WeakPolarHBondContact O-CB 3.12Å; P5-C8 PolarHBondContact O-N 3.45Å; P5-T9 WeakPolarHBondContact O-CG2 3.5Å; P5-T9 PolarHBondContact O-N 3.15Å; P5-T9 PolarHBondContact O-OG1 3.38Å |
| 6 | I | 76.8 | Confident | 73.3 | Confident | 105 Ų | 105 | 82.2 Ų | 82.2 | 54% | 0.538 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 174.3 | -64.7 | 167.6 | 0 | 0 | 0 | 111 | A2 V3 F4 C8 T9 L10 | A2-I6 WeakPolarHBondContact O-CD1 3.36Å; A2-I6 VanDerWaalsContact O-CG1 3.3Å; A2-I6 WeakPolarHBondContact O-CG1 3.29Å; V3-I6 PolarHBondContact O-N 3.39Å; F4-I6 PolarHBondContact O-N 3.22Å; I6-C8 VanDerWaalsContact C-N 3.31Å; I6-T9 PolarHBondContact O-OG1 3.39Å; I6-L10 WeakPolarHBondContact O-CB 3.06Å; I6-L10 PolarHBondContact O-N 3.21Å; I6-L10 VanDerWaalsContact O-N 3.07Å |
| 7 | I | 77.6 | Confident | 73.2 | Confident | 93 Ų | 93 | 87.2 Ų | 87.2 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 174.7 | -67.5 | 169.1 | 0 | 0 | 0 | 110.1 | V3 F4 L10 T11 | V3-I7 HydrophobicContact CG1-CD1 3.67Å; V3-I7 HydrophobicContact CG1-CG1 4.29Å; V3-I7 WeakPolarHBondContact O-CG1 3.43Å; V3-I7 PolarHBondContact O-N 3.13Å; F4-I7 PolarHBondContact O-N 3.33Å; I7-L10 PolarHBondContact O-N 3.44Å; I7-T11 HydrophobicContact CG2-CG2 4.34Å; I7-T11 WeakPolarHBondContact O-CG2 3.32Å; I7-T11 PolarHBondContact O-N 2.94Å; I7-T11 PolarHBondContact O-OG1 3.03Å |
| 8 | C | 72.6 | Confident | 72.8 | Confident | 15 Ų | 15 | 85.3 Ų | 85.3 | 10% | 0.101 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | F4 P5 I6 L10 T11 I12 F31 | F4-C8 VanDerWaalsContact CD1-SG 3.57Å; F4-C8 WeakPolarHBondContact CE1-SG 3.39Å; F4-C8 VanDerWaalsContact CZ-SG 3.51Å; F4-C8 PolarHBondContact O-N 2.96Å; F4-C8 PolarHBondContact O-SG 3.31Å; P5-C8 WeakPolarHBondContact O-CB 3.12Å; P5-C8 PolarHBondContact O-N 3.45Å; I6-C8 VanDerWaalsContact C-N 3.31Å; C8-L10 VanDerWaalsContact C-N 3.31Å; C8-L10 PolarHBondContact O-N 2.94Å; C8-T11 WeakPolarHBondContact CA-OG1 3.5Å; C8-T11 PolarHBondContact O-N 3.12Å; C8-T11 PolarHBondContact O-OG1 3.46Å; C8-I12 WeakPolarHBondContact O-CD1 3.4Å; C8-I12 VanDerWaalsContact O-CG1 3.27Å; C8-I12 WeakPolarHBondContact O-CG1 3.06Å; C8-I12 PolarHBondContact O-N 3.49Å; C8-F31 HydrophobicContact CB-CE2 3.52Å; C8-F31 HydrophobicContact CB-CZ 3.58Å; C8-F31 WeakPolarHBondContact SG-CE2 3.25Å; C8-F31 WeakPolarHBondContact SG-CZ 3.4Å |
| 9 | T | 78.6 | Confident | 72.4 | Confident | 85 Ų | 85 | 87.1 Ų | 87.1 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | -179.7 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | P5 I6 I12 V13 | P5-T9 WeakPolarHBondContact O-CG2 3.5Å; P5-T9 PolarHBondContact O-N 3.15Å; P5-T9 PolarHBondContact O-OG1 3.38Å; I6-T9 PolarHBondContact O-OG1 3.39Å; T9-I12 PolarHBondContact O-N 2.99Å; T9-V13 VanDerWaalsContact O-CG2 3.28Å; T9-V13 WeakPolarHBondContact O-CG2 2.95Å; T9-V13 PolarHBondContact O-N 3.01Å |
| 10 | L | 78.7 | Confident | 72.5 | Confident | 107 Ų | 107 | 87.4 Ų | 87.4 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 176.9 | -150.7 | 108.3 | 0 | 0 | 0 | 112 | I6 I7 C8 V13 L14 | I6-L10 WeakPolarHBondContact O-CB 3.06Å; I6-L10 PolarHBondContact O-N 3.21Å; I6-L10 VanDerWaalsContact O-N 3.07Å; I7-L10 PolarHBondContact O-N 3.44Å; C8-L10 VanDerWaalsContact C-N 3.31Å; C8-L10 PolarHBondContact O-N 2.94Å; L10-V13 PolarHBondContact O-N 3.11Å; L10-L14 HydrophobicContact CD2-CD1 3.96Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 3.49Å |
| 11 | T | 73.3 | Confident | 72.5 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 29% | 0.288 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 177.1 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | I7 C8 L14 D15 | I7-T11 HydrophobicContact CG2-CG2 4.34Å; I7-T11 WeakPolarHBondContact O-CG2 3.32Å; I7-T11 PolarHBondContact O-N 2.94Å; I7-T11 PolarHBondContact O-OG1 3.03Å; C8-T11 WeakPolarHBondContact CA-OG1 3.5Å; C8-T11 PolarHBondContact O-N 3.12Å; C8-T11 PolarHBondContact O-OG1 3.46Å; T11-L14 PolarHBondContact O-N 2.98Å; T11-D15 VanDerWaalsContact O-CB 3.24Å; T11-D15 WeakPolarHBondContact O-CB 3.43Å; T11-D15 PolarHBondContact O-N 3.35Å |
| 12 | I | 75.3 | Confident | 73.2 | Confident | 110 Ų | 110 | 87.4 Ų | 87.4 | 56% | 0.564 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.8 | -40.3 | 176.7 | -68.4 | 165 | 0 | 0 | 0 | 111 | C8 T9 D15 S16 | C8-I12 WeakPolarHBondContact O-CD1 3.4Å; C8-I12 VanDerWaalsContact O-CG1 3.27Å; C8-I12 WeakPolarHBondContact O-CG1 3.06Å; C8-I12 PolarHBondContact O-N 3.49Å; T9-I12 PolarHBondContact O-N 2.99Å; I12-D15 PolarHBondContact O-N 2.88Å; I12-S16 PolarHBondContact O-N 3.33Å |
| 13 | V | 78.2 | Confident | 73.7 | Confident | 79 Ų | 79 | 87.7 Ų | 87.7 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | T9 L10 D15 S16 F17 | T9-V13 VanDerWaalsContact O-CG2 3.28Å; T9-V13 WeakPolarHBondContact O-CG2 2.95Å; T9-V13 PolarHBondContact O-N 3.01Å; L10-V13 PolarHBondContact O-N 3.11Å; V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 2.84Å; V13-S16 WeakPolarHBondContact O-CB 3.45Å; V13-S16 PolarHBondContact O-N 3.46Å; V13-S16 VanDerWaalsContact O-N 3.15Å; V13-S16 PolarHBondContact O-OG 3.48Å; V13-F17 HydrophobicContact CG1-CD2 4.19Å; V13-F17 HydrophobicContact CG1-CE2 3.84Å; V13-F17 WeakPolarHBondContact O-CD2 3.38Å; V13-F17 PolarHBondContact O-N 2.99Å |
| 14 | L | 74.8 | Confident | 73.9 | Confident | 106 Ų | 106 | 88.8 Ų | 88.8 | 56% | 0.555 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.2 | -37.9 | 177.2 | -72.7 | 171.1 | 0 | 0 | 0 | 112.4 | L10 T11 S16 F17 N18 | L10-L14 HydrophobicContact CD2-CD1 3.96Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 3.49Å; T11-L14 PolarHBondContact O-N 2.98Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.48Å; L14-F17 PolarHBondContact O-N 3.38Å; L14-N18 PolarHBondContact O-N 3.44Å |
| 15 | D | 70.9 | Confident | 74.2 | Confident | 28 Ų | 28 | 91.1 Ų | 91.1 | 15% | 0.15 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 174.7 | -172 | 52.7 | 0 | 0 | 0 | 112.1 | T11 I12 V13 F17 N18 R24 | T11-D15 VanDerWaalsContact O-CB 3.24Å; T11-D15 WeakPolarHBondContact O-CB 3.43Å; T11-D15 PolarHBondContact O-N 3.35Å; I12-D15 PolarHBondContact O-N 2.88Å; V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 2.84Å; D15-F17 PolarHBondContact O-N 2.92Å; D15-N18 PolarHBondContact O-N 3.21Å; D15-N18 VanDerWaalsContact O-N 3.13Å; D15-R24 WeakPolarHBondContact OD1-CA 3.39Å; D15-R24 VanDerWaalsContact OD1-CB 3.25Å; D15-R24 WeakPolarHBondContact OD1-CB 3.41Å; D15-R24 VanDerWaalsContact OD1-CD 3.31Å; D15-R24 WeakPolarHBondContact OD1-CD 3.3Å; D15-R24 WeakPolarHBondContact OD1-CG 3.41Å; D15-R24 IonicContact OD1-NE 3.64Å; D15-R24 WeakPolarHBondContact OD2-CD 3.37Å; D15-R24 WeakPolarHBondContact OD2-CG 3.3Å; D15-R24 IonicContact OD2-CZ 3.67Å; D15-R24 IonicContact OD2-NE 2.72Å; D15-R24 PolarHBondContact OD2-NE 3.46Å; D15-R24 IonicContact OD2-NH2 3.74Å |
| 16 | S | 73.6 | Confident | 74.5 | Confident | 90 Ų | 90 | 92.2 Ų | 92.2 | 63% | 0.629 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.4 | -23.2 | 176.3 | 77.6 | 0 | 0 | 0 | 0 | 114.2 | I12 V13 L14 | I12-S16 PolarHBondContact O-N 3.33Å; V13-S16 WeakPolarHBondContact O-CB 3.45Å; V13-S16 PolarHBondContact O-N 3.46Å; V13-S16 VanDerWaalsContact O-N 3.15Å; V13-S16 PolarHBondContact O-OG 3.48Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.48Å |
| 17 | F | 72.9 | Confident | 74.5 | Confident | 168 Ų | 168 | 93.1 Ų | 93.1 | 74% | 0.737 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -90.9 | -13.1 | 176.4 | -75.3 | -74.2 | 0 | 0 | 0 | 113.4 | V13 L14 D15 | V13-F17 HydrophobicContact CG1-CD2 4.19Å; V13-F17 HydrophobicContact CG1-CE2 3.84Å; V13-F17 WeakPolarHBondContact O-CD2 3.38Å; V13-F17 PolarHBondContact O-N 2.99Å; L14-F17 PolarHBondContact O-N 3.38Å; D15-F17 PolarHBondContact O-N 2.92Å |
| 18 | N | 66.3 | Low | 74.6 | Confident | 53 Ų | 53 | 94 Ų | 94 | 28% | 0.283 | 49% | 0.485 | S | S | . | . | trans | -99.7 | 114.5 | -172.2 | -155.6 | -1.6 | 0 | 0 | 0 | 110.6 | L14 D15 N20 | L14-N18 PolarHBondContact O-N 3.44Å; D15-N18 PolarHBondContact O-N 3.21Å; D15-N18 VanDerWaalsContact O-N 3.13Å; N18-N20 VanDerWaalsContact C-N 3.3Å; N18-N20 PolarHBondContact O-N 3.29Å | ||
| 19 | S | 63.7 | Low | 75.2 | Confident | 118 Ų | 118 | 98.6 Ų | 98.6 | 83% | 0.825 | 51% | 0.508 | S | S | * | . | trans | -83.5 | -0.4 | -175.9 | 27.8 | 0 | 0 | 0 | 0 | 114.5 | F21 | S19-F21 PolarHBondContact O-N 3.29Š| ||
| 20 | N | 75.3 | Confident | 75.3 | Confident | 93 Ų | 93 | 99 Ų | 99 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | trans | -86.4 | 105.1 | 179.5 | -71.1 | -55.4 | 0 | 0 | 0 | 111.8 | N18 L22 L23 R24 | N18-N20 VanDerWaalsContact C-N 3.3Å; N18-N20 PolarHBondContact O-N 3.29Å; N20-L22 VanDerWaalsContact C-N 3.32Å; N20-L22 PolarHBondContact O-N 3.22Å; N20-L23 HydrophobicContact CB-CB 4.16Å; N20-L23 HydrophobicContact CB-CD1 3.9Å; N20-L23 HydrophobicContact CB-CG 4.18Å; N20-L23 PolarHBondContact O-N 3.24Å; N20-R24 PolarHBondContact O-N 3Å | ||
| 21 | F | 72.8 | Confident | 75.5 | Confident | 136 Ų | 136 | 96.4 Ų | 96.4 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -53.2 | -41.9 | -178.2 | -178 | -95 | 0 | 0 | 0 | 114.1 | S19 R24 E25 | S19-F21 PolarHBondContact O-N 3.29Å; F21-R24 WeakPolarHBondContact O-CB 3.38Å; F21-R24 PolarHBondContact O-N 2.99Å; F21-E25 HydrophobicContact CE1-CG 4.38Å; F21-E25 HydrophobicContact CZ-CG 4.45Å; F21-E25 PolarHBondContact O-N 3.17Å |
| 22 | L | 73.1 | Confident | 76 | Confident | 123 Ų | 123 | 98.1 Ų | 98.1 | 64% | 0.644 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.7 | -36.7 | -178.6 | -68.6 | 175.2 | 0 | 0 | 0 | 113.3 | N20 R24 I26 | N20-L22 VanDerWaalsContact C-N 3.32Å; N20-L22 PolarHBondContact O-N 3.22Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-I26 WeakPolarHBondContact O-CG1 3.18Å; L22-I26 PolarHBondContact O-N 3.4Å |
| 23 | L | 74.2 | Confident | 76.5 | Confident | 74 Ų | 74 | 97.7 Ų | 97.7 | 39% | 0.387 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 178.2 | -72.1 | 175.4 | 0 | 0 | 0 | 110.6 | N20 I26 Y27 | N20-L23 HydrophobicContact CB-CB 4.16Å; N20-L23 HydrophobicContact CB-CD1 3.9Å; N20-L23 HydrophobicContact CB-CG 4.18Å; N20-L23 PolarHBondContact O-N 3.24Å; L23-I26 PolarHBondContact O-N 3.43Å; L23-Y27 HydrophobicContact CB-CD2 4.45Å; L23-Y27 HydrophobicContact CB-CE2 4.29Å; L23-Y27 WeakPolarHBondContact O-CD2 3.47Å; L23-Y27 PolarHBondContact O-N 3.03Å |
| 24 | R | 73.9 | Confident | 76.8 | Confident | 122 Ų | 122 | 96.4 Ų | 96.4 | 46% | 0.46 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 176.3 | 174.1 | 155.4 | -164.2 | -117 | -0.4 | 112.9 | D15 N20 F21 L22 I26 Y27 Q28 | D15-R24 WeakPolarHBondContact OD1-CA 3.39Å; D15-R24 VanDerWaalsContact OD1-CB 3.25Å; D15-R24 WeakPolarHBondContact OD1-CB 3.41Å; D15-R24 VanDerWaalsContact OD1-CD 3.31Å; D15-R24 WeakPolarHBondContact OD1-CD 3.3Å; D15-R24 WeakPolarHBondContact OD1-CG 3.41Å; D15-R24 IonicContact OD1-NE 3.64Å; D15-R24 WeakPolarHBondContact OD2-CD 3.37Å; D15-R24 WeakPolarHBondContact OD2-CG 3.3Å; D15-R24 IonicContact OD2-CZ 3.67Å; D15-R24 IonicContact OD2-NE 2.72Å; D15-R24 PolarHBondContact OD2-NE 3.46Å; D15-R24 IonicContact OD2-NH2 3.74Å; N20-R24 PolarHBondContact O-N 3Å; F21-R24 WeakPolarHBondContact O-CB 3.38Å; F21-R24 PolarHBondContact O-N 2.99Å; L22-R24 VanDerWaalsContact C-N 3.31Å; R24-I26 PolarHBondContact O-N 3.47Å; R24-Y27 PolarHBondContact O-N 3.46Å; R24-Q28 PolarHBondContact O-N 3.19Å |
| 25 | E | 80.1 | Confident | 77.3 | Confident | 96 Ų | 96 | 96 Ų | 96 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.9 | -75.5 | -167 | 145.6 | 0 | 0 | 112.4 | F21 Y27 Q28 I29 | F21-E25 HydrophobicContact CE1-CG 4.38Å; F21-E25 HydrophobicContact CZ-CG 4.45Å; F21-E25 PolarHBondContact O-N 3.17Å; E25-Y27 PolarHBondContact O-N 2.98Å; E25-Q28 PolarHBondContact O-N 3.36Å; E25-I29 WeakPolarHBondContact O-CG1 3.27Å; E25-I29 PolarHBondContact O-N 2.79Å |
| 26 | I | 80.8 | Confident | 78 | Confident | 89 Ų | 89 | 98.1 Ų | 98.1 | 46% | 0.456 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 179.1 | -67.6 | 167.4 | 0 | 0 | 0 | 110.9 | L22 L23 R24 Q28 I29 I30 | L22-I26 WeakPolarHBondContact O-CG1 3.18Å; L22-I26 PolarHBondContact O-N 3.4Å; L23-I26 PolarHBondContact O-N 3.43Å; R24-I26 PolarHBondContact O-N 3.47Å; I26-Q28 VanDerWaalsContact C-N 3.32Å; I26-Q28 PolarHBondContact O-N 3.21Å; I26-I29 PolarHBondContact O-N 3.34Å; I26-I30 HydrophobicContact CG2-CD1 3.69Å; I26-I30 HydrophobicContact CG2-CG1 4.42Å; I26-I30 VanDerWaalsContact O-CG1 3.28Å; I26-I30 WeakPolarHBondContact O-CG1 3.38Å; I26-I30 PolarHBondContact O-N 2.99Å |
| 27 | Y | 78.3 | Confident | 78.5 | Confident | 124 Ų | 124 | 98.6 Ų | 98.6 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 176.7 | -79.6 | -62.4 | 0 | 0 | 0 | 112.1 | L23 R24 E25 I30 F31 | L23-Y27 HydrophobicContact CB-CD2 4.45Å; L23-Y27 HydrophobicContact CB-CE2 4.29Å; L23-Y27 WeakPolarHBondContact O-CD2 3.47Å; L23-Y27 PolarHBondContact O-N 3.03Å; R24-Y27 PolarHBondContact O-N 3.46Å; E25-Y27 PolarHBondContact O-N 2.98Å; Y27-I30 PolarHBondContact O-N 3.03Å; Y27-F31 WeakPolarHBondContact O-CB 3.41Å; Y27-F31 PolarHBondContact O-N 3.43Å |
| 28 | Q | 79.8 | Confident | 79.1 | Confident | 110 Ų | 110 | 93.2 Ų | 93.2 | 51% | 0.514 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 178.1 | -167.3 | 169.4 | -17.1 | 0 | 0 | 112 | R24 E25 I26 F31 D32 | R24-Q28 PolarHBondContact O-N 3.19Å; E25-Q28 PolarHBondContact O-N 3.36Å; I26-Q28 VanDerWaalsContact C-N 3.32Å; I26-Q28 PolarHBondContact O-N 3.21Å; Q28-F31 WeakPolarHBondContact O-CB 3.26Å; Q28-F31 PolarHBondContact O-N 3.19Å; Q28-D32 PolarHBondContact O-N 3.39Å |
| 29 | I | 83.6 | Confident | 80 | Confident | 113 Ų | 113 | 93.8 Ų | 93.8 | 58% | 0.579 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.8 | -45 | 176.3 | -67.3 | 166.2 | 0 | 0 | 0 | 111.4 | E25 I26 F31 D32 L33 | E25-I29 WeakPolarHBondContact O-CG1 3.27Å; E25-I29 PolarHBondContact O-N 2.79Å; I26-I29 PolarHBondContact O-N 3.34Å; I29-F31 PolarHBondContact O-N 3.31Å; I29-D32 PolarHBondContact O-N 3.25Å; I29-L33 WeakPolarHBondContact O-CB 3.17Å; I29-L33 PolarHBondContact O-N 2.9Å |
| 30 | I | 81.9 | Confident | 81 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 178.1 | -70.4 | 169.1 | 0 | 0 | 0 | 110.6 | I26 Y27 S34 | I26-I30 HydrophobicContact CG2-CD1 3.69Å; I26-I30 HydrophobicContact CG2-CG1 4.42Å; I26-I30 VanDerWaalsContact O-CG1 3.28Å; I26-I30 WeakPolarHBondContact O-CG1 3.38Å; I26-I30 PolarHBondContact O-N 2.99Å; Y27-I30 PolarHBondContact O-N 3.03Å; I30-S34 WeakPolarHBondContact O-CB 3.47Å; I30-S34 PolarHBondContact O-N 2.8Å; I30-S34 PolarHBondContact O-OG 3.46Å |
| 31 | F | 82.4 | Confident | 81.4 | Confident | 53 Ų | 53 | 95.5 Ų | 95.5 | 23% | 0.232 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.7 | -51.1 | 176.8 | -179.6 | -97 | 0 | 0 | 0 | 111.9 | F4 C8 Y27 Q28 I29 L33 S34 F35 | F4-F31 HydrophobicContact CZ-CE2 4.2Å; F4-F31 HydrophobicContact CZ-CZ 4.12Å; C8-F31 HydrophobicContact CB-CE2 3.52Å; C8-F31 HydrophobicContact CB-CZ 3.58Å; C8-F31 WeakPolarHBondContact SG-CE2 3.25Å; C8-F31 WeakPolarHBondContact SG-CZ 3.4Å; Y27-F31 WeakPolarHBondContact O-CB 3.41Å; Y27-F31 PolarHBondContact O-N 3.43Å; Q28-F31 WeakPolarHBondContact O-CB 3.26Å; Q28-F31 PolarHBondContact O-N 3.19Å; I29-F31 PolarHBondContact O-N 3.31Å; F31-L33 VanDerWaalsContact C-N 3.28Å; F31-L33 PolarHBondContact O-N 2.85Å; F31-S34 WeakPolarHBondContact O-CB 3.22Å; F31-S34 PolarHBondContact O-N 2.82Å; F31-S34 VanDerWaalsContact O-N 3.12Å; F31-F35 PolarHBondContact O-N 3.03Å |
| 32 | D | 83.9 | Confident | 81.9 | Confident | 83 Ų | 83 | 90 Ų | 90 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 178.8 | -74.7 | -16.6 | 0 | 0 | 0 | 111.9 | Q28 I29 F35 T36 | Q28-D32 PolarHBondContact O-N 3.39Å; I29-D32 PolarHBondContact O-N 3.25Å; D32-F35 PolarHBondContact O-N 3.39Å; D32-T36 WeakPolarHBondContact O-CB 3.42Å; D32-T36 PolarHBondContact O-N 2.96Å; D32-T36 PolarHBondContact O-OG1 2.92Å |
| 33 | L | 85.6 | Confident | 82.4 | Confident | 101 Ų | 101 | 87.9 Ų | 87.9 | 53% | 0.529 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 175.3 | -171.6 | 141.6 | 0 | 0 | 0 | 111.8 | I29 F31 T36 L37 | I29-L33 WeakPolarHBondContact O-CB 3.17Å; I29-L33 PolarHBondContact O-N 2.9Å; F31-L33 VanDerWaalsContact C-N 3.28Å; F31-L33 PolarHBondContact O-N 2.85Å; L33-T36 PolarHBondContact O-N 3.39Å; L33-L37 HydrophobicContact CD2-CD1 3.68Å; L33-L37 HydrophobicContact CD2-CG 4.41Å; L33-L37 WeakPolarHBondContact O-CG 3.42Å; L33-L37 PolarHBondContact O-N 3.35Å |
| 34 | S | 84.5 | Confident | 82.8 | Confident | 53 Ų | 53 | 90.8 Ų | 90.8 | 37% | 0.371 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | I30 F31 L37 L38 | I30-S34 WeakPolarHBondContact O-CB 3.47Å; I30-S34 PolarHBondContact O-N 2.8Å; I30-S34 PolarHBondContact O-OG 3.46Å; F31-S34 WeakPolarHBondContact O-CB 3.22Å; F31-S34 PolarHBondContact O-N 2.82Å; F31-S34 VanDerWaalsContact O-N 3.12Å; S34-L37 PolarHBondContact O-N 3.07Å; S34-L38 PolarHBondContact O-N 2.98Å |
| 35 | F | 84.9 | Confident | 83.1 | Confident | 98 Ų | 98 | 88.5 Ų | 88.5 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 174.5 | -178.6 | -115.6 | 0 | 0 | 0 | 111.5 | F4 F31 D32 L37 L38 C39 | F4-F35 AromaticContact CE1-CD2 3.43Å; F4-F35 HydrophobicContact CE1-CD2 3.43Å; F4-F35 VanDerWaalsContact CE1-CD2 3.43Å; F4-F35 HydrophobicContact CE1-CE2 4.06Å; F4-F35 HydrophobicContact CE1-CG 4.42Å; F4-F35 HydrophobicContact CE2-CB 4.43Å; F4-F35 HydrophobicContact CZ-CB 3.74Å; F4-F35 AromaticContact CZ-CD2 3.45Å; F4-F35 HydrophobicContact CZ-CD2 3.45Å; F4-F35 VanDerWaalsContact CZ-CD2 3.45Å; F4-F35 HydrophobicContact CZ-CE2 4.48Å; F4-F35 HydrophobicContact CZ-CG 4.05Å; F31-F35 PolarHBondContact O-N 3.03Å; D32-F35 PolarHBondContact O-N 3.39Å; F35-L37 VanDerWaalsContact C-N 3.31Å; F35-L37 PolarHBondContact O-N 2.87Å; F35-L38 WeakPolarHBondContact O-CB 3.42Å; F35-L38 PolarHBondContact O-N 3.12Å; F35-L38 VanDerWaalsContact O-N 3.07Å; F35-C39 PolarHBondContact O-N 2.87Å; F35-C39 PolarHBondContact O-SG 3.44Å |
| 36 | T | 86.6 | Confident | 83.2 | Confident | 71 Ų | 71 | 86.4 Ų | 86.4 | 44% | 0.436 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58 | -45.7 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | D32 L33 L38 C39 F40 | D32-T36 WeakPolarHBondContact O-CB 3.42Å; D32-T36 PolarHBondContact O-N 2.96Å; D32-T36 PolarHBondContact O-OG1 2.92Å; L33-T36 PolarHBondContact O-N 3.39Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 2.94Å; T36-C39 WeakPolarHBondContact O-CB 3.37Å; T36-C39 PolarHBondContact O-N 2.76Å; T36-F40 HydrophobicContact CG2-CD2 4.08Å; T36-F40 HydrophobicContact CG2-CE2 3.73Å; T36-F40 WeakPolarHBondContact O-CD2 3.44Å; T36-F40 PolarHBondContact O-N 2.9Å |
| 37 | L | 84.1 | Confident | 83.1 | Confident | 100 Ų | 100 | 85.6 Ų | 85.6 | 52% | 0.524 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 174.9 | -76.2 | 170.9 | 0 | 0 | 0 | 112.1 | L33 S34 F35 C39 F40 L41 | L33-L37 HydrophobicContact CD2-CD1 3.68Å; L33-L37 HydrophobicContact CD2-CG 4.41Å; L33-L37 WeakPolarHBondContact O-CG 3.42Å; L33-L37 PolarHBondContact O-N 3.35Å; S34-L37 PolarHBondContact O-N 3.07Å; F35-L37 VanDerWaalsContact C-N 3.31Å; F35-L37 PolarHBondContact O-N 2.87Å; L37-C39 VanDerWaalsContact C-N 3.33Å; L37-C39 PolarHBondContact O-N 3.38Å; L37-F40 PolarHBondContact O-N 2.96Å; L37-L41 WeakPolarHBondContact O-CB 3.3Å; L37-L41 PolarHBondContact O-N 3.44Å |
| 38 | L | 85.2 | Confident | 83.1 | Confident | 55 Ų | 55 | 85.3 Ų | 85.3 | 29% | 0.288 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62 | -41 | 176.7 | -174.2 | 70.8 | 0 | 0 | 0 | 111.8 | F4 S34 F35 T36 F40 L41 A42 | F4-L38 HydrophobicContact CB-CD2 3.81Å; F4-L38 HydrophobicContact CD1-CD2 3.67Å; F4-L38 HydrophobicContact CD2-CD2 3.7Å; F4-L38 HydrophobicContact CE1-CD2 4.2Å; F4-L38 HydrophobicContact CE2-CD2 4.22Å; F4-L38 HydrophobicContact CG-CD2 3.41Å; F4-L38 VanDerWaalsContact CG-CD2 3.41Å; F4-L38 HydrophobicContact CZ-CD2 4.47Å; S34-L38 PolarHBondContact O-N 2.98Å; F35-L38 WeakPolarHBondContact O-CB 3.42Å; F35-L38 PolarHBondContact O-N 3.12Å; F35-L38 VanDerWaalsContact O-N 3.07Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 2.94Å; L38-F40 PolarHBondContact O-N 3.49Å; L38-L41 PolarHBondContact O-N 2.9Å; L38-A42 WeakPolarHBondContact O-CB 3.37Å; L38-A42 PolarHBondContact O-N 3.23Å |
| 39 | C | 85 | Confident | 82.9 | Confident | 65 Ų | 65 | 87.7 Ų | 87.7 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.6 | -33.7 | 176.5 | -72.7 | 0 | 0 | 0 | 0 | 112.6 | F35 T36 L37 P43 | F35-C39 PolarHBondContact O-N 2.87Å; F35-C39 PolarHBondContact O-SG 3.44Å; T36-C39 WeakPolarHBondContact O-CB 3.37Å; T36-C39 PolarHBondContact O-N 2.76Å; L37-C39 VanDerWaalsContact C-N 3.33Å; L37-C39 PolarHBondContact O-N 3.38Å; C39-P43 WeakPolarHBondContact O-CD 3.3Å; C39-P43 WeakPolarHBondContact O-CG 3.34Å |
| 40 | F | 85.3 | Confident | 82.8 | Confident | 153 Ų | 153 | 84 Ų | 84 | 67% | 0.671 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -78.8 | -38.5 | 172.6 | -74.2 | -68.8 | 0 | 0 | 0 | 112.8 | T36 L37 L38 P43 | T36-F40 HydrophobicContact CG2-CD2 4.08Å; T36-F40 HydrophobicContact CG2-CE2 3.73Å; T36-F40 WeakPolarHBondContact O-CD2 3.44Å; T36-F40 PolarHBondContact O-N 2.9Å; L37-F40 PolarHBondContact O-N 2.96Å; L38-F40 PolarHBondContact O-N 3.49Å; F40-P43 WeakPolarHBondContact O-CD 3.21Å; F40-P43 WeakPolarHBondContact O-CG 3.34Å |
| 41 | L | 84 | Confident | 82.6 | Confident | 94 Ų | 94 | 87 Ų | 87 | 49% | 0.492 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -74 | -34.2 | -176.7 | -135.8 | 90.6 | 0 | 0 | 0 | 112.6 | L37 L38 Y44 L45 | L37-L41 WeakPolarHBondContact O-CB 3.3Å; L37-L41 PolarHBondContact O-N 3.44Å; L38-L41 PolarHBondContact O-N 2.9Å; L41-Y44 WeakPolarHBondContact O-CB 3.47Å; L41-Y44 PolarHBondContact O-N 3.19Å; L41-L45 HydrophobicContact CD2-CD1 3.87Å; L41-L45 HydrophobicContact CD2-CG 4.44Å; L41-L45 HydrophobicContact CG-CD1 4.39Å; L41-L45 WeakPolarHBondContact O-CB 3.4Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 3.06Å |
| 42 | A | 83.4 | Confident | 82.4 | Confident | 20 Ų | 20 | 87.3 Ų | 87.3 | 17% | 0.165 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -57.8 | -52.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 L38 Y44 L45 T46 | M1-A42 HydrophobicContact CE-CB 4.29Å; L38-A42 WeakPolarHBondContact O-CB 3.37Å; L38-A42 PolarHBondContact O-N 3.23Å; A42-Y44 VanDerWaalsContact C-N 3.29Å; A42-Y44 PolarHBondContact O-N 3.41Å; A42-L45 PolarHBondContact O-N 3.21Å; A42-T46 WeakPolarHBondContact O-CB 3.41Å; A42-T46 PolarHBondContact O-N 3.03Å; A42-T46 PolarHBondContact O-OG1 2.86Å |
| 43 | P | 82.2 | Confident | 82.1 | Confident | 79 Ų | 79 | 89.8 Ų | 89.8 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 176.4 | 23.5 | -32.4 | 0 | 0 | 0 | 112.3 | C39 F40 Y47 | C39-P43 WeakPolarHBondContact O-CD 3.3Å; C39-P43 WeakPolarHBondContact O-CG 3.34Å; F40-P43 WeakPolarHBondContact O-CD 3.21Å; F40-P43 WeakPolarHBondContact O-CG 3.34Å; P43-Y47 WeakPolarHBondContact O-CB 3.3Å; P43-Y47 PolarHBondContact O-N 3.03Å |
| 44 | Y | 82.8 | Confident | 82 | Confident | 136 Ų | 136 | 87.9 Ų | 87.9 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 174.9 | 176.4 | -100.4 | 0 | 0 | 0 | 112.2 | L41 A42 Y47 K48 | L41-Y44 WeakPolarHBondContact O-CB 3.47Å; L41-Y44 PolarHBondContact O-N 3.19Å; A42-Y44 VanDerWaalsContact C-N 3.29Å; A42-Y44 PolarHBondContact O-N 3.41Å; Y44-Y47 PolarHBondContact O-N 2.95Å; Y44-K48 HydrophobicContact CE1-CG 4.3Å; Y44-K48 HydrophobicContact CE2-CG 4.48Å; Y44-K48 PolarHBondContact O-N 2.92Å; Y44-K48 WeakPolarHBondContact OH-CE 3.24Å |
| 45 | L | 80.4 | Confident | 81.9 | Confident | 73 Ų | 73 | 89.6 Ų | 89.6 | 38% | 0.382 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 176 | -77.7 | 169.8 | 0 | 0 | 0 | 111.6 | L41 A42 Y47 K48 M49 | L41-L45 HydrophobicContact CD2-CD1 3.87Å; L41-L45 HydrophobicContact CD2-CG 4.44Å; L41-L45 HydrophobicContact CG-CD1 4.39Å; L41-L45 WeakPolarHBondContact O-CB 3.4Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 3.06Å; A42-L45 PolarHBondContact O-N 3.21Å; L45-Y47 VanDerWaalsContact C-N 3.29Å; L45-Y47 PolarHBondContact O-N 2.72Å; L45-K48 PolarHBondContact O-N 3.45Å; L45-K48 VanDerWaalsContact O-N 3.12Å; L45-M49 WeakPolarHBondContact O-CB 3.41Å; L45-M49 VanDerWaalsContact O-CG 3.3Å; L45-M49 WeakPolarHBondContact O-CG 3.43Å; L45-M49 PolarHBondContact O-N 3.06Å |
| 46 | T | 82 | Confident | 81.8 | Confident | 52 Ų | 52 | 89.8 Ų | 89.8 | 32% | 0.319 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 175.2 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | A42 K48 M49 S50 W53 | A42-T46 WeakPolarHBondContact O-CB 3.41Å; A42-T46 PolarHBondContact O-N 3.03Å; A42-T46 PolarHBondContact O-OG1 2.86Å; T46-K48 PolarHBondContact O-N 3.49Å; T46-M49 PolarHBondContact O-N 2.97Å; T46-S50 WeakPolarHBondContact O-CB 3.28Å; T46-S50 PolarHBondContact O-N 3.4Å; T46-W53 HydrophobicContact CG2-CD2 4.37Å; T46-W53 HydrophobicContact CG2-CG 4Å |
| 47 | Y | 79.7 | Confident | 81.5 | Confident | 73 Ų | 73 | 88.7 Ų | 88.7 | 29% | 0.286 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.7 | 176.6 | -99.8 | 0 | 0 | 0 | 112.1 | P43 Y44 L45 Q54 L57 | P43-Y47 WeakPolarHBondContact O-CB 3.3Å; P43-Y47 PolarHBondContact O-N 3.03Å; Y44-Y47 PolarHBondContact O-N 2.95Å; L45-Y47 VanDerWaalsContact C-N 3.29Å; L45-Y47 PolarHBondContact O-N 2.72Å; Y47-Q54 HydrophobicContact CD2-CG 3.92Å; Y47-Q54 HydrophobicContact CE1-CG 4.43Å; Y47-Q54 HydrophobicContact CE2-CB 4.12Å; Y47-Q54 HydrophobicContact CE2-CG 3.73Å; Y47-Q54 HydrophobicContact CG-CG 4.39Å; Y47-Q54 WeakPolarHBondContact O-CG 3.45Å; Y47-Q54 PolarHBondContact O-NE2 3.36Å; Y47-L57 HydrophobicContact CD2-CD1 3.49Å; Y47-L57 VanDerWaalsContact CD2-CD1 3.49Å; Y47-L57 HydrophobicContact CE2-CB 4.35Å; Y47-L57 HydrophobicContact CE2-CD1 3.89Å |
| 48 | K | 77.3 | Confident | 81.4 | Confident | 118 Ų | 118 | 89.1 Ų | 89.1 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -71.3 | -34.8 | 179.6 | -76.1 | -72.9 | -172.3 | 171.8 | 0 | 113.6 | Y44 L45 T46 Q54 | Y44-K48 HydrophobicContact CE1-CG 4.3Å; Y44-K48 HydrophobicContact CE2-CG 4.48Å; Y44-K48 PolarHBondContact O-N 2.92Å; Y44-K48 WeakPolarHBondContact OH-CE 3.24Å; L45-K48 PolarHBondContact O-N 3.45Å; L45-K48 VanDerWaalsContact O-N 3.12Å; T46-K48 PolarHBondContact O-N 3.49Å; K48-Q54 PolarHBondContact O-NE2 2.96Å |
| 49 | M | 76.1 | Confident | 81.3 | Confident | 159 Ų | 159 | 95 Ų | 95 | 78% | 0.783 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -90.3 | -20.6 | -172.7 | -66.9 | -66.9 | -177.3 | 0 | 0 | 114.1 | L45 T46 | L45-M49 WeakPolarHBondContact O-CB 3.41Å; L45-M49 VanDerWaalsContact O-CG 3.3Å; L45-M49 WeakPolarHBondContact O-CG 3.43Å; L45-M49 PolarHBondContact O-N 3.06Å; T46-M49 PolarHBondContact O-N 2.97Å |
| 50 | S | 81.3 | Confident | 81.2 | Confident | 37 Ų | 37 | 96 Ų | 96 | 26% | 0.259 | 47% | 0.465 | S | S | . | . | trans | -116.1 | 110.5 | -177.2 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | T46 A52 W53 Q54 | T46-S50 WeakPolarHBondContact O-CB 3.28Å; T46-S50 PolarHBondContact O-N 3.4Å; S50-A52 PolarHBondContact O-N 2.92Å; S50-W53 PolarHBondContact O-N 2.98Å; S50-Q54 WeakPolarHBondContact O-CG 3.39Å; S50-Q54 PolarHBondContact O-N 3.38Å | ||
| 51 | E | 77.3 | Confident | 81 | Confident | 153 Ų | 153 | 93.2 Ų | 93.2 | 72% | 0.715 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.5 | -31.9 | 174.5 | -66.2 | -168.1 | 164.4 | 0 | 0 | 112.5 | Q54 N55 | E51-Q54 PolarHBondContact O-N 3.31Å; E51-N55 VanDerWaalsContact O-CG 3.28Å; E51-N55 PolarHBondContact O-N 3Å; E51-N55 PolarHBondContact O-ND2 3.49Å |
| 52 | A | 79.3 | Confident | 80.8 | Confident | 61 Ų | 61 | 93 Ų | 93 | 50% | 0.504 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S50 Q54 N55 E56 | S50-A52 PolarHBondContact O-N 2.92Å; A52-Q54 VanDerWaalsContact C-N 3.34Å; A52-Q54 PolarHBondContact O-N 2.75Å; A52-N55 PolarHBondContact O-N 3.44Å; A52-E56 PolarHBondContact O-N 3.34Å |
| 53 | W | 78.1 | Confident | 80.7 | Confident | 135 Ų | 135 | 101 Ų | 101 | 51% | 0.511 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 175.7 | -94 | 101.1 | 0 | 0 | 0 | 112.8 | T46 S50 N55 E56 L57 | T46-W53 HydrophobicContact CG2-CD2 4.37Å; T46-W53 HydrophobicContact CG2-CG 4Å; S50-W53 PolarHBondContact O-N 2.98Å; W53-N55 VanDerWaalsContact C-N 3.33Å; W53-N55 PolarHBondContact O-N 3.36Å; W53-E56 PolarHBondContact O-N 2.96Å; W53-L57 HydrophobicContact CE3-CD1 4.39Å; W53-L57 WeakPolarHBondContact O-CB 3.45Å; W53-L57 PolarHBondContact O-N 3.12Å |
| 54 | Q | 81.8 | Confident | 80.8 | Confident | 60 Ų | 60 | 102.7 Ų | 102.7 | 28% | 0.28 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 176 | -64.7 | 178.9 | 18.1 | 0 | 0 | 111.9 | Y47 K48 S50 E51 A52 H58 | Y47-Q54 HydrophobicContact CD2-CG 3.92Å; Y47-Q54 HydrophobicContact CE1-CG 4.43Å; Y47-Q54 HydrophobicContact CE2-CB 4.12Å; Y47-Q54 HydrophobicContact CE2-CG 3.73Å; Y47-Q54 HydrophobicContact CG-CG 4.39Å; Y47-Q54 WeakPolarHBondContact O-CG 3.45Å; Y47-Q54 PolarHBondContact O-NE2 3.36Å; K48-Q54 PolarHBondContact O-NE2 2.96Å; S50-Q54 WeakPolarHBondContact O-CG 3.39Å; S50-Q54 PolarHBondContact O-N 3.38Å; E51-Q54 PolarHBondContact O-N 3.31Å; A52-Q54 VanDerWaalsContact C-N 3.34Å; A52-Q54 PolarHBondContact O-N 2.75Å; Q54-H58 WeakPolarHBondContact O-CB 3.32Å; Q54-H58 PolarHBondContact O-N 3.45Å |
| 55 | N | 82.3 | Confident | 80.2 | Confident | 89 Ų | 89 | 99 Ų | 99 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69 | -40 | -179.8 | -72.3 | -28 | 0 | 0 | 0 | 112 | E51 A52 W53 H58 R59 | E51-N55 VanDerWaalsContact O-CG 3.28Å; E51-N55 PolarHBondContact O-N 3Å; E51-N55 PolarHBondContact O-ND2 3.49Å; A52-N55 PolarHBondContact O-N 3.44Å; W53-N55 VanDerWaalsContact C-N 3.33Å; W53-N55 PolarHBondContact O-N 3.36Å; N55-H58 PolarHBondContact O-N 2.88Å; N55-R59 WeakPolarHBondContact O-CG 3.36Å; N55-R59 PolarHBondContact O-N 3.43Å |
| 56 | E | 83.6 | Confident | 79.5 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 174.8 | -74.8 | -175.6 | 172.7 | 0 | 0 | 112.1 | A52 W53 H58 R59 I60 | A52-E56 PolarHBondContact O-N 3.34Å; W53-E56 PolarHBondContact O-N 2.96Å; E56-H58 VanDerWaalsContact C-N 3.27Å; E56-H58 PolarHBondContact O-N 3.15Å; E56-R59 WeakPolarHBondContact O-CB 3.31Å; E56-R59 PolarHBondContact O-N 2.82Å; E56-R59 VanDerWaalsContact O-N 3.12Å; E56-I60 WeakPolarHBondContact O-CG1 3.04Å; E56-I60 PolarHBondContact O-N 2.62Å |
| 57 | L | 81.1 | Confident | 78.2 | Confident | 48 Ų | 48 | 109.1 Ų | 109.1 | 25% | 0.251 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 173.9 | -94.6 | 157.7 | 0 | 0 | 0 | 111.4 | Y47 W53 R59 I60 Y61 | Y47-L57 HydrophobicContact CD2-CD1 3.49Å; Y47-L57 VanDerWaalsContact CD2-CD1 3.49Å; Y47-L57 HydrophobicContact CE2-CB 4.35Å; Y47-L57 HydrophobicContact CE2-CD1 3.89Å; W53-L57 HydrophobicContact CE3-CD1 4.39Å; W53-L57 WeakPolarHBondContact O-CB 3.45Å; W53-L57 PolarHBondContact O-N 3.12Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 3.03Å; L57-I60 PolarHBondContact O-N 3.01Å; L57-Y61 HydrophobicContact CB-CD2 4.43Å; L57-Y61 HydrophobicContact CB-CE2 4.35Å; L57-Y61 HydrophobicContact CD2-CD2 4.44Å; L57-Y61 HydrophobicContact CD2-CE2 3.83Å; L57-Y61 WeakPolarHBondContact O-CD2 3.49Å; L57-Y61 PolarHBondContact O-N 3.07Å |
| 58 | H | 81.3 | Confident | 77.1 | Confident | 109 Ų | 109 | 112.1 Ų | 112.1 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 175.6 | -175.7 | 58.5 | 0 | 0 | 0 | 112.1 | Q54 N55 E56 I60 Y61 V62 | Q54-H58 WeakPolarHBondContact O-CB 3.32Å; Q54-H58 PolarHBondContact O-N 3.45Å; N55-H58 PolarHBondContact O-N 2.88Å; E56-H58 VanDerWaalsContact C-N 3.27Å; E56-H58 PolarHBondContact O-N 3.15Å; H58-I60 VanDerWaalsContact C-N 3.31Å; H58-I60 PolarHBondContact O-N 3.37Å; H58-Y61 PolarHBondContact O-N 3.39Å; H58-V62 VanDerWaalsContact O-CG2 3.29Å; H58-V62 WeakPolarHBondContact O-CG2 3.25Å; H58-V62 PolarHBondContact O-N 2.88Å |
| 59 | R | 82.6 | Confident | 75.8 | Confident | 177 Ų | 177 | 112.3 Ų | 112.3 | 67% | 0.668 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.7 | -41.3 | 174.7 | -72 | 172.4 | -178.7 | -176.4 | 1 | 111.8 | N55 E56 L57 V62 K63 | N55-R59 WeakPolarHBondContact O-CG 3.36Å; N55-R59 PolarHBondContact O-N 3.43Å; E56-R59 WeakPolarHBondContact O-CB 3.31Å; E56-R59 PolarHBondContact O-N 2.82Å; E56-R59 VanDerWaalsContact O-N 3.12Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 3.03Å; R59-V62 PolarHBondContact O-N 3Å; R59-K63 WeakPolarHBondContact O-CB 3.43Å; R59-K63 WeakPolarHBondContact O-CG 3.28Å; R59-K63 PolarHBondContact O-N 2.92Å |
| 60 | I | 83.6 | Confident | 74.5 | Confident | 88 Ų | 88 | 111.9 Ų | 111.9 | 45% | 0.451 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65 | -46.9 | 177.1 | -66.1 | 165 | 0 | 0 | 0 | 110.5 | E56 L57 H58 V62 K63 I64 | E56-I60 WeakPolarHBondContact O-CG1 3.04Å; E56-I60 PolarHBondContact O-N 2.62Å; L57-I60 PolarHBondContact O-N 3.01Å; H58-I60 VanDerWaalsContact C-N 3.31Å; H58-I60 PolarHBondContact O-N 3.37Å; I60-V62 VanDerWaalsContact C-N 3.33Å; I60-V62 PolarHBondContact O-N 3.4Å; I60-K63 PolarHBondContact O-N 3.49Å; I60-K63 VanDerWaalsContact O-N 3.15Å; I60-I64 HydrophobicContact CG2-CD1 3.63Å; I60-I64 HydrophobicContact CG2-CG1 4.45Å; I60-I64 WeakPolarHBondContact O-CG1 3.04Å; I60-I64 PolarHBondContact O-N 3.07Å |
| 61 | Y | 80.3 | Confident | 72.7 | Confident | 94 Ų | 94 | 119.3 Ų | 119.3 | 37% | 0.369 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.4 | -42.3 | 176.8 | -81.2 | -62.6 | 0 | 0 | 0 | 112.6 | L57 H58 I64 G65 L66 | L57-Y61 HydrophobicContact CB-CD2 4.43Å; L57-Y61 HydrophobicContact CB-CE2 4.35Å; L57-Y61 HydrophobicContact CD2-CD2 4.44Å; L57-Y61 HydrophobicContact CD2-CE2 3.83Å; L57-Y61 WeakPolarHBondContact O-CD2 3.49Å; L57-Y61 PolarHBondContact O-N 3.07Å; H58-Y61 PolarHBondContact O-N 3.39Å; Y61-I64 PolarHBondContact O-N 3.02Å; Y61-G65 PolarHBondContact O-N 3.46Å; Y61-L66 HydrophobicContact CD1-CB 4.13Å; Y61-L66 HydrophobicContact CD1-CD1 4.05Å; Y61-L66 HydrophobicContact CE1-CD1 4.31Å; Y61-L66 PolarHBondContact O-N 3.29Å; Y61-L66 VanDerWaalsContact O-N 3.11Å |
| 62 | V | 80.9 | Confident | 71.3 | Confident | 89 Ų | 89 | 119.5 Ų | 119.5 | 54% | 0.539 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64 | -41.9 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 111 | H58 R59 I60 I64 G65 | H58-V62 VanDerWaalsContact O-CG2 3.29Å; H58-V62 WeakPolarHBondContact O-CG2 3.25Å; H58-V62 PolarHBondContact O-N 2.88Å; R59-V62 PolarHBondContact O-N 3Å; I60-V62 VanDerWaalsContact C-N 3.33Å; I60-V62 PolarHBondContact O-N 3.4Å; V62-I64 VanDerWaalsContact C-N 3.33Å; V62-I64 PolarHBondContact O-N 3.3Å; V62-G65 PolarHBondContact O-N 3.27Å; V62-G65 VanDerWaalsContact O-N 3.13Å |
| 63 | K | 81.5 | Confident | 69.6 | Low | 187 Ų | 187 | 125.3 Ų | 125.3 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.6 | -34.3 | 177 | -80.1 | -176.2 | 176.7 | -173.2 | 0 | 113.5 | R59 I60 G65 | R59-K63 WeakPolarHBondContact O-CB 3.43Å; R59-K63 WeakPolarHBondContact O-CG 3.28Å; R59-K63 PolarHBondContact O-N 2.92Å; I60-K63 PolarHBondContact O-N 3.49Å; I60-K63 VanDerWaalsContact O-N 3.15Å; K63-G65 PolarHBondContact O-N 3.3Å |
| 64 | I | 82.7 | Confident | 67.9 | Low | 115 Ų | 115 | 124 Ų | 124 | 59% | 0.59 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -2.6 | 177.9 | -63.8 | 169.3 | 0 | 0 | 0 | 111.2 | I60 Y61 V62 L66 | I60-I64 HydrophobicContact CG2-CD1 3.63Å; I60-I64 HydrophobicContact CG2-CG1 4.45Å; I60-I64 WeakPolarHBondContact O-CG1 3.04Å; I60-I64 PolarHBondContact O-N 3.07Å; Y61-I64 PolarHBondContact O-N 3.02Å; V62-I64 VanDerWaalsContact C-N 3.33Å; V62-I64 PolarHBondContact O-N 3.3Å; I64-L66 HydrophobicContact CG2-CD1 3.87Å; I64-L66 HydrophobicContact CG2-CG 4.15Å; I64-L66 PolarHBondContact O-N 3.43Å |
| 65 | G | 71.9 | Confident | 66.2 | Low | 60 Ų | 60 | 127.1 Ų | 127.1 | 62% | 0.619 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.3 | 6.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y61 V62 K63 R67 | Y61-G65 PolarHBondContact O-N 3.46Å; V62-G65 PolarHBondContact O-N 3.27Å; V62-G65 VanDerWaalsContact O-N 3.13Å; K63-G65 PolarHBondContact O-N 3.3Å; G65-R67 PolarHBondContact O-N 3.01Å |
| 66 | L | 64.6 | Low | 64.1 | Low | 104 Ų | 104 | 134 Ų | 134 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | trans | -77.5 | 74.3 | 173.1 | -73 | 167 | 0 | 0 | 0 | 108.9 | Y61 I64 K68 | Y61-L66 HydrophobicContact CD1-CB 4.13Å; Y61-L66 HydrophobicContact CD1-CD1 4.05Å; Y61-L66 HydrophobicContact CE1-CD1 4.31Å; Y61-L66 PolarHBondContact O-N 3.29Å; Y61-L66 VanDerWaalsContact O-N 3.11Å; I64-L66 HydrophobicContact CG2-CD1 3.87Å; I64-L66 HydrophobicContact CG2-CG 4.15Å; I64-L66 PolarHBondContact O-N 3.43Å; L66-K68 PolarHBondContact O-N 3.49Å | ||
| 67 | R | 54.8 | Low | 62.2 | Low | 232 Ų | 232 | 140 Ų | 140 | 88% | 0.875 | 68% | 0.676 | S | S | * | * | trans | -65.5 | 101.8 | 173.8 | -164.9 | 176.6 | -172.4 | 178.3 | 1.8 | 108.2 | G65 P69 | G65-R67 PolarHBondContact O-N 3.01Å; R67-P69 WeakPolarHBondContact O-CD 3.19Å | ||
| 68 | K | 57.7 | Low | 60.3 | Low | 137 Ų | 137 | 142 Ų | 142 | 60% | 0.596 | 69% | 0.694 | S | S | * | * | trans | -56.5 | 126.2 | 169 | -90.7 | -174.3 | 176.2 | 178.5 | 0 | 108.7 | L66 N70 | L66-K68 PolarHBondContact O-N 3.49Å; K68-N70 PolarHBondContact O-N 3.28Å | ||
| 69 | P | 49.9 | Very low | 58.5 | Low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -65.8 | 118.4 | 167.1 | 27.1 | -29.9 | 0 | 0 | 0 | 107.8 | R67 | R67-P69 WeakPolarHBondContact O-CD 3.19Š|
| 70 | N | 47.7 | Very low | 56.7 | Low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | trans | 39.3 | 96.9 | 163.6 | -67 | -17.5 | 0 | 0 | 0 | 117.1 | K68 I72 | K68-N70 PolarHBondContact O-N 3.28Å; N70-I72 PolarHBondContact O-N 3.22Å | ||
| 71 | K | 43.8 | Very low | 55 | Low | 193 Ų | 193 | 144.4 Ų | 144.4 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | trans | -52.5 | 106.8 | 153.9 | -162.4 | 178 | -172.8 | -178.7 | 0 | 107.3 | Q73 | K71-Q73 PolarHBondContact O-N 3.39Š| ||
| 72 | I | 48.5 | Very low | 53.5 | Low | 158 Ų | 158 | 145.7 Ų | 145.7 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | trans | -50.3 | 113.4 | 168.1 | -65.1 | 168.6 | 0 | 0 | 0 | 105.8 | N70 S74 | N70-I72 PolarHBondContact O-N 3.22Å; I72-S74 VanDerWaalsContact C-N 3.3Å; I72-S74 PolarHBondContact O-N 3.13Å | ||
| 73 | Q | 43.8 | Very low | 51.8 | Low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | -61.1 | 96 | 174.7 | -74 | 174 | -9.2 | 0 | 0 | 107 | K71 V75 | K71-Q73 PolarHBondContact O-N 3.39Å; Q73-V75 VanDerWaalsContact C-N 3.31Å; Q73-V75 PolarHBondContact O-N 2.96Å | ||
| 74 | S | 40.9 | Very low | 50.3 | Low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | -61.3 | 104.9 | 157.9 | 55.9 | 0 | 0 | 0 | 0 | 106 | I72 R76 | I72-S74 VanDerWaalsContact C-N 3.3Å; I72-S74 PolarHBondContact O-N 3.13Å; S74-R76 PolarHBondContact O-N 3.34Å | ||
| 75 | V | 47.2 | Very low | 49.1 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | -16.7 | 96.5 | 167.1 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | Q73 Y77 | Q73-V75 VanDerWaalsContact C-N 3.31Å; Q73-V75 PolarHBondContact O-N 2.96Å; V75-Y77 HydrophobicContact CG1-CD2 3.94Å | ||
| 76 | R | 37.5 | Very low | 48.3 | Very low | 234 Ų | 234 | 150.1 Ų | 150.1 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -110.7 | 82.1 | 163 | -143 | -175.6 | -154.2 | -170.1 | 8.2 | 106.3 | S74 S78 | S74-R76 PolarHBondContact O-N 3.34Å; R76-S78 VanDerWaalsContact C-N 3.28Å; R76-S78 PolarHBondContact O-N 3.23Å | ||
| 77 | Y | 44.4 | Very low | 47.7 | Very low | 228 Ų | 228 | 147.3 Ų | 147.3 | 89% | 0.894 | 73% | 0.73 | S | S | * | * | trans | -61.6 | 97.9 | 153.7 | -99.1 | -89.4 | 0 | 0 | 0 | 106.6 | V75 | V75-Y77 HydrophobicContact CG1-CD2 3.94Š| ||
| 78 | S | 41.4 | Very low | 47.5 | Very low | 90 Ų | 90 | 143.8 Ų | 143.8 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | trans | -171.9 | 111.5 | 157.5 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | R76 | R76-S78 VanDerWaalsContact C-N 3.28Å; R76-S78 PolarHBondContact O-N 3.23Å | ||
| 79 | S | 43.7 | Very low | 47.1 | Very low | 80 Ų | 80 | 142.1 Ų | 142.1 | 56% | 0.559 | 72% | 0.721 | S | S | * | * | trans | 32.5 | 115.8 | 163.3 | 72.1 | 0 | 0 | 0 | 0 | 118.8 | K81 | S79-K81 PolarHBondContact O-N 3.42Š| ||
| 80 | R | 44.3 | Very low | 47.4 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | trans | -65.9 | 101.2 | 159.4 | -72.9 | 179.8 | -176.4 | 169.4 | 1.6 | 108 | ||||
| 81 | K | 48 | Very low | 47.5 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 51% | 0.513 | 70% | 0.696 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 115.6 | 162.2 | -67.1 | -166.2 | -177.7 | -163.8 | 0 | 108.5 | S79 N91 | S79-K81 PolarHBondContact O-N 3.42Å; K81-N91 WeakPolarHBondContact CE-OD1 3.35Å |
| 82 | L | 47.5 | Very low | 47.8 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 63% | 0.634 | 68% | 0.682 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 127.3 | 171.8 | -70.4 | 169.7 | 0 | 0 | 0 | 108 | ||
| 83 | K | 45.6 | Very low | 47.4 | Very low | 161 Ų | 161 | 135 Ų | 135 | 70% | 0.7 | 68% | 0.683 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.1 | 178.1 | -160 | 172.2 | -170.7 | 177.8 | 0 | 108.3 | ||
| 84 | G | 51.3 | Low | 47.5 | Very low | 32 Ų | 32 | 134.8 Ų | 134.8 | 33% | 0.33 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 161.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F86 G87 E88 | G84-F86 PolarHBondContact O-N 3.4Å; G84-G87 PolarHBondContact O-N 3.25Å; G84-E88 PolarHBondContact N-O 3.24Å |
| 85 | T | 56.5 | Low | 47.2 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 90% | 0.896 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -7.3 | 179.3 | 35.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 86 | F | 54.5 | Low | 47.2 | Very low | 205 Ų | 205 | 141.5 Ų | 141.5 | 90% | 0.899 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 8.3 | 172 | -77.6 | -87.5 | 0 | 0 | 0 | 114.1 | G84 | G84-F86 PolarHBondContact O-N 3.4Š|
| 87 | G | 53.7 | Low | 47.8 | Very low | 44 Ų | 44 | 136.6 Ų | 136.6 | 45% | 0.454 | 70% | 0.695 | S | S | . | * | S | Bend | trans | 85.8 | 6.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | G84 | G84-G87 PolarHBondContact O-N 3.25Š|
| 88 | E | 48.7 | Very low | 47.9 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | trans | -85.9 | 135.3 | 169.5 | -71.7 | -174 | 158.9 | 0 | 0 | 111.6 | G84 | G84-E88 PolarHBondContact N-O 3.24Š| ||
| 89 | D | 49.6 | Very low | 48.3 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 54% | 0.54 | 69% | 0.688 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 113.2 | 179.9 | -74.2 | -18.2 | 0 | 0 | 0 | 109.7 | ||
| 90 | I | 56 | Low | 48.6 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 54% | 0.544 | 70% | 0.696 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 115.2 | 177.7 | -52.7 | 172 | 0 | 0 | 0 | 108.3 | V92 | I90-V92 HydrophobicContact CG2-CG2 4.46Å; I90-V92 PolarHBondContact O-N 3.42Å |
| 91 | N | 50.1 | Low | 48.9 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 51% | 0.513 | 69% | 0.685 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.3 | 112.8 | 169.3 | -77.1 | -12.6 | 0 | 0 | 0 | 108.6 | K81 E93 | K81-N91 WeakPolarHBondContact CE-OD1 3.35Å; N91-E93 PolarHBondContact O-N 3.42Å |
| 92 | V | 51.6 | Low | 49 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | trans | -90.9 | 102.2 | 171.2 | -175 | 0 | 0 | 0 | 0 | 107.7 | I90 M94 | I90-V92 HydrophobicContact CG2-CG2 4.46Å; I90-V92 PolarHBondContact O-N 3.42Å; V92-M94 PolarHBondContact O-N 3.18Å | ||
| 93 | E | 40 | Very low | 49.1 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 85% | 0.846 | 70% | 0.702 | S | S | * | * | trans | -77.6 | 113.8 | 166.7 | -65.3 | -174.6 | 172.8 | 0 | 0 | 107.7 | N91 | N91-E93 PolarHBondContact O-N 3.42Š| ||
| 94 | M | 45.8 | Very low | 49.4 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 87% | 0.872 | 70% | 0.702 | S | S | * | * | trans | -82.1 | 115.9 | 169 | -78.8 | -176.6 | 166.5 | 0 | 0 | 107.7 | V92 | V92-M94 PolarHBondContact O-N 3.18Š| ||
| 95 | N | 34.6 | Very low | 49.2 | Very low | 233 Ų | 233 | 139.8 Ų | 139.8 | 100% | 1.246 | 74% | 0.736 | S | S | * | * | trans | -73.4 | 0 | 168.9 | -154.3 | 39 | 0 | 0 | 0 | 110.6 |
Retrieved 95 of 95 residues in 78.2 ms
(Link to these results)