| 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 | 68.4 | Low | 86.9 | Confident | 124 Ų | 124 | 96.4 Ų | 96.4 | 61% | 0.611 | 46% | 0.46 | S | S | * | . | 0 | -45.7 | 0 | -92.2 | -164.2 | -101.3 | 0 | 0 | 111.6 | T4 L5 V80 K83 | M1-T4 WeakPolarHBondContact CA-OG1 3.43Å; M1-T4 PolarHBondContact O-OG1 3.26Å; M1-L5 WeakPolarHBondContact O-CB 3.43Å; M1-L5 PolarHBondContact O-N 2.82Å; M1-V80 HydrophobicContact CB-CG2 3.89Å; M1-V80 HydrophobicContact SD-CG2 4.33Å; M1-K83 HydrophobicContact CE-CD 3.96Å | |||
| 2 | E | 78 | Confident | 87.3 | Confident | 146 Ų | 146 | 88.4 Ų | 88.4 | 68% | 0.682 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 170.9 | -70.6 | 176.5 | 177.8 | 0 | 0 | 112.4 | T4 L5 F6 V80 | E2-T4 PolarHBondContact O-N 2.98Å; E2-L5 WeakPolarHBondContact O-CB 3.43Å; E2-L5 PolarHBondContact O-N 3.12Å; E2-F6 PolarHBondContact O-N 3.15Å; E2-V80 HydrophobicContact CG-CG1 3.94Å |
| 3 | E | 85.3 | Confident | 87.9 | Confident | 161 Ų | 161 | 92.4 Ų | 92.4 | 75% | 0.752 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 175.7 | -171.4 | 175.9 | -170.9 | 0 | 0 | 112.8 | L5 F6 Q7 | E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.19Å; E3-F6 PolarHBondContact O-N 2.82Å; E3-Q7 WeakPolarHBondContact O-CB 3.48Å; E3-Q7 PolarHBondContact O-N 3.18Å |
| 4 | T | 83.8 | Confident | 88.4 | Confident | 78 Ų | 78 | 92.7 Ų | 92.7 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 175 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | M1 E2 Q7 L8 | M1-T4 WeakPolarHBondContact CA-OG1 3.43Å; M1-T4 PolarHBondContact O-OG1 3.26Å; E2-T4 PolarHBondContact O-N 2.98Å; T4-Q7 PolarHBondContact O-N 3.28Å; T4-L8 WeakPolarHBondContact O-CB 3.38Å; T4-L8 VanDerWaalsContact O-CG 3.25Å; T4-L8 WeakPolarHBondContact O-CG 3.31Å; T4-L8 PolarHBondContact O-N 2.93Å |
| 5 | L | 87.8 | Confident | 88.7 | Confident | 22 Ų | 22 | 87.8 Ų | 87.8 | 12% | 0.115 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68 | -44.2 | 175.1 | 176.9 | 123.5 | 0 | 0 | 0 | 111.5 | M1 E2 E3 Q7 L8 R9 A73 V76 Q77 | M1-L5 WeakPolarHBondContact O-CB 3.43Å; M1-L5 PolarHBondContact O-N 2.82Å; E2-L5 WeakPolarHBondContact O-CB 3.43Å; E2-L5 PolarHBondContact O-N 3.12Å; E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.19Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-Q7 PolarHBondContact O-N 3.17Å; L5-L8 PolarHBondContact O-N 3.42Å; L5-R9 WeakPolarHBondContact O-CG 3.28Å; L5-R9 PolarHBondContact O-N 2.96Å; L5-A73 WeakPolarHBondContact CD1-O 3.27Å; L5-V76 HydrophobicContact CB-CG1 4.15Å; L5-V76 HydrophobicContact CD1-CB 4.13Å; L5-V76 HydrophobicContact CD1-CG1 3.89Å; L5-Q77 HydrophobicContact CD1-CB 3.6Å; L5-Q77 HydrophobicContact CD1-CG 4.36Å; L5-Q77 VanDerWaalsContact CD1-OE1 3.23Å |
| 6 | F | 91.6 | Very high | 89 | Confident | 135 Ų | 135 | 87.1 Ų | 87.1 | 59% | 0.592 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -56.9 | -47.7 | 172.9 | 176.3 | -95.9 | 0 | 0 | 0 | 110.9 | E2 E3 L8 R9 F10 | E2-F6 PolarHBondContact O-N 3.15Å; E3-F6 PolarHBondContact O-N 2.82Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L8 PolarHBondContact O-N 3.09Å; F6-R9 PolarHBondContact O-N 2.81Å; F6-F10 VanDerWaalsContact O-CB 3.25Å; F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 PolarHBondContact O-N 3.02Å |
| 7 | Q | 91.6 | Very high | 89.5 | Confident | 105 Ų | 105 | 92.9 Ų | 92.9 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 178.4 | -161.2 | 68.4 | 15.6 | 0 | 0 | 112.3 | E3 T4 L5 F10 T11 | E3-Q7 WeakPolarHBondContact O-CB 3.48Å; E3-Q7 PolarHBondContact O-N 3.18Å; T4-Q7 PolarHBondContact O-N 3.28Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-Q7 PolarHBondContact O-N 3.17Å; Q7-F10 PolarHBondContact O-N 3.46Å; Q7-T11 VanDerWaalsContact O-CB 3.31Å; Q7-T11 WeakPolarHBondContact O-CB 3.4Å; Q7-T11 PolarHBondContact O-N 3.21Å; Q7-T11 PolarHBondContact O-OG1 2.99Å |
| 8 | L | 91.1 | Very high | 89.6 | Confident | 51 Ų | 51 | 91.6 Ų | 91.6 | 27% | 0.267 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.7 | -46 | 177.1 | -74.1 | 169.6 | 0 | 0 | 0 | 112.1 | T4 L5 F6 F10 T11 S12 V69 V72 A73 V76 | T4-L8 WeakPolarHBondContact O-CB 3.38Å; T4-L8 VanDerWaalsContact O-CG 3.25Å; T4-L8 WeakPolarHBondContact O-CG 3.31Å; T4-L8 PolarHBondContact O-N 2.93Å; L5-L8 PolarHBondContact O-N 3.42Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L8 PolarHBondContact O-N 3.09Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 PolarHBondContact O-N 3.5Å; L8-T11 PolarHBondContact O-N 2.89Å; L8-S12 WeakPolarHBondContact O-CB 3.43Å; L8-S12 PolarHBondContact O-N 3.27Å; L8-V69 HydrophobicContact CB-CG1 4.49Å; L8-V69 HydrophobicContact CD2-CG1 4.15Å; L8-V69 WeakPolarHBondContact O-CG1 3.49Å; L8-V72 HydrophobicContact CD1-CG1 4.35Å; L8-A73 HydrophobicContact CB-CB 3.9Å; L8-V76 HydrophobicContact CD1-CG2 4.21Å |
| 9 | R | 91.8 | Very high | 89.8 | Confident | 90 Ų | 90 | 87.1 Ų | 87.1 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 175.9 | -71.3 | -66.7 | -169.1 | 168.1 | 2.9 | 112 | L5 F6 S12 K13 D70 A73 | L5-R9 WeakPolarHBondContact O-CG 3.28Å; L5-R9 PolarHBondContact O-N 2.96Å; F6-R9 PolarHBondContact O-N 2.81Å; R9-S12 PolarHBondContact O-N 3.29Å; R9-K13 PolarHBondContact O-N 3.46Å; R9-K13 VanDerWaalsContact O-N 3.11Å; R9-D70 IonicContact CZ-OD1 3.37Å; R9-D70 IonicContact NE-OD1 3.62Å; R9-D70 VanDerWaalsContact NH1-CG 3.26Å; R9-D70 IonicContact NH1-OD1 2.82Å; R9-D70 PolarHBondContact NH1-OD1 3.39Å; R9-D70 IonicContact NH1-OD2 3.62Å; R9-D70 PolarHBondContact NH1-OD2 3.5Å; R9-D70 VanDerWaalsContact NH1-OD2 3.15Å; R9-A73 HydrophobicContact CG-CB 4.06Å |
| 10 | F | 93.9 | Very high | 90.1 | Very high | 102 Ų | 102 | 89.3 Ų | 89.3 | 45% | 0.447 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 175.3 | -178.4 | -97.3 | 0 | 0 | 0 | 111.4 | F6 Q7 L8 S12 K13 Q14 | F6-F10 VanDerWaalsContact O-CB 3.25Å; F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 PolarHBondContact O-N 3.02Å; Q7-F10 PolarHBondContact O-N 3.46Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 PolarHBondContact O-N 3.5Å; F10-S12 PolarHBondContact O-N 2.76Å; F10-K13 PolarHBondContact O-N 3.13Å; F10-Q14 WeakPolarHBondContact O-CB 3.3Å; F10-Q14 PolarHBondContact O-N 2.84Å |
| 11 | T | 92.3 | Very high | 90.4 | Very high | 46 Ų | 46 | 91 Ų | 91 | 28% | 0.282 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 177.5 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | Q7 L8 K13 Q14 L15 | Q7-T11 VanDerWaalsContact O-CB 3.31Å; Q7-T11 WeakPolarHBondContact O-CB 3.4Å; Q7-T11 PolarHBondContact O-N 3.21Å; Q7-T11 PolarHBondContact O-OG1 2.99Å; L8-T11 PolarHBondContact O-N 2.89Å; T11-K13 PolarHBondContact O-N 3.49Å; T11-Q14 WeakPolarHBondContact O-CB 3.37Å; T11-Q14 PolarHBondContact O-N 2.94Å; T11-Q14 VanDerWaalsContact O-N 3.11Å; T11-L15 HydrophobicContact CG2-CD1 4.21Å; T11-L15 HydrophobicContact CG2-CG 4.35Å; T11-L15 VanDerWaalsContact O-CG 3.28Å; T11-L15 WeakPolarHBondContact O-CG 3.47Å; T11-L15 PolarHBondContact O-N 2.92Å |
| 12 | S | 92.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.007 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -53.4 | -52.9 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | L8 R9 F10 Q14 L15 E16 A66 | L8-S12 WeakPolarHBondContact O-CB 3.43Å; L8-S12 PolarHBondContact O-N 3.27Å; R9-S12 PolarHBondContact O-N 3.29Å; F10-S12 PolarHBondContact O-N 2.76Å; S12-Q14 VanDerWaalsContact C-N 3.3Å; S12-Q14 PolarHBondContact O-N 3.38Å; S12-L15 WeakPolarHBondContact O-CB 3.49Å; S12-L15 PolarHBondContact O-N 3.07Å; S12-L15 VanDerWaalsContact O-N 3.15Å; S12-E16 PolarHBondContact O-N 2.88Å; S12-A66 PolarHBondContact OG-O 3.38Å |
| 13 | K | 94.5 | Very high | 92.2 | Very high | 140 Ų | 140 | 83.4 Ų | 83.4 | 61% | 0.609 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.1 | -34.5 | 176.3 | -83.6 | -168.4 | 174.7 | -178.8 | 0 | 113.5 | R9 F10 T11 R17 | R9-K13 PolarHBondContact O-N 3.46Å; R9-K13 VanDerWaalsContact O-N 3.11Å; F10-K13 PolarHBondContact O-N 3.13Å; T11-K13 PolarHBondContact O-N 3.49Å; K13-R17 WeakPolarHBondContact O-CG 3.31Å; K13-R17 PolarHBondContact O-N 2.84Å |
| 14 | Q | 94.7 | Very high | 92.7 | Very high | 97 Ų | 97 | 82.3 Ų | 82.3 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 176.4 | -169.8 | 176.1 | 9.5 | 0 | 0 | 111 | F10 T11 S12 R17 L18 | F10-Q14 WeakPolarHBondContact O-CB 3.3Å; F10-Q14 PolarHBondContact O-N 2.84Å; T11-Q14 WeakPolarHBondContact O-CB 3.37Å; T11-Q14 PolarHBondContact O-N 2.94Å; T11-Q14 VanDerWaalsContact O-N 3.11Å; S12-Q14 VanDerWaalsContact C-N 3.3Å; S12-Q14 PolarHBondContact O-N 3.38Å; Q14-R17 PolarHBondContact O-N 3.09Å; Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 3.49Å |
| 15 | L | 93.7 | Very high | 93.2 | Very high | 19 Ų | 19 | 81.5 Ų | 81.5 | 10% | 0.099 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 175.5 | -64.5 | 173.6 | 0 | 0 | 0 | 111.7 | T11 S12 R17 L18 A19 W62 M65 A66 V69 | T11-L15 HydrophobicContact CG2-CD1 4.21Å; T11-L15 HydrophobicContact CG2-CG 4.35Å; T11-L15 VanDerWaalsContact O-CG 3.28Å; T11-L15 WeakPolarHBondContact O-CG 3.47Å; T11-L15 PolarHBondContact O-N 2.92Å; S12-L15 WeakPolarHBondContact O-CB 3.49Å; S12-L15 PolarHBondContact O-N 3.07Å; S12-L15 VanDerWaalsContact O-N 3.15Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 2.81Å; L15-A19 PolarHBondContact O-N 3.35Å; L15-W62 HydrophobicContact CD2-CE3 3.54Å; L15-W62 HydrophobicContact CD2-CZ3 3.64Å; L15-M65 HydrophobicContact CD1-CB 4.13Å; L15-A66 HydrophobicContact CB-CB 3.75Å; L15-V69 HydrophobicContact CD1-CG2 4.09Å |
| 16 | E | 94.1 | Very high | 93.3 | Very high | 76 Ų | 76 | 80.7 Ų | 80.7 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 173.2 | -71.2 | -178.8 | 177.9 | 0 | 0 | 112.6 | S12 L18 A19 K20 A66 | S12-E16 PolarHBondContact O-N 2.88Å; E16-L18 VanDerWaalsContact C-N 3.34Å; E16-A19 WeakPolarHBondContact O-CB 3.44Å; E16-A19 PolarHBondContact O-N 2.92Å; E16-K20 WeakPolarHBondContact O-CG 3.49Å; E16-K20 PolarHBondContact O-N 3.17Å; E16-A66 HydrophobicContact CG-CB 3.82Å |
| 17 | R | 95.9 | Very high | 93.3 | Very high | 187 Ų | 187 | 80.3 Ų | 80.3 | 71% | 0.706 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.4 | -39.9 | 175.2 | -77.3 | 178.3 | 176.1 | 172.9 | -1 | 111.7 | K13 Q14 L15 K20 K21 | K13-R17 WeakPolarHBondContact O-CG 3.31Å; K13-R17 PolarHBondContact O-N 2.84Å; Q14-R17 PolarHBondContact O-N 3.09Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 3.38Å; R17-K20 PolarHBondContact O-N 2.82Å; R17-K21 WeakPolarHBondContact O-CB 3.41Å; R17-K21 PolarHBondContact O-N 3.23Å |
| 18 | L | 93 | Very high | 93.4 | Very high | 68 Ų | 68 | 81.8 Ų | 81.8 | 36% | 0.356 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 175.3 | -70.8 | 172.9 | 0 | 0 | 0 | 111.5 | Q14 L15 E16 K21 A22 W62 | Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 3.49Å; L15-L18 PolarHBondContact O-N 2.81Å; E16-L18 VanDerWaalsContact C-N 3.34Å; L18-K21 PolarHBondContact O-N 2.96Å; L18-A22 WeakPolarHBondContact O-CB 3.3Å; L18-A22 PolarHBondContact O-N 3.29Å; L18-W62 HydrophobicContact CB-CG 4.42Å |
| 19 | A | 93 | Very high | 93.3 | Very high | 6 Ų | 6 | 81.1 Ų | 81.1 | 5% | 0.05 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.5 | -51.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L15 E16 K21 A22 E23 W62 L63 | L15-A19 PolarHBondContact O-N 3.35Å; E16-A19 WeakPolarHBondContact O-CB 3.44Å; E16-A19 PolarHBondContact O-N 2.92Å; A19-K21 VanDerWaalsContact C-N 3.28Å; A19-K21 PolarHBondContact O-N 3Å; A19-A22 PolarHBondContact O-N 3.38Å; A19-A22 VanDerWaalsContact O-N 3.13Å; A19-E23 PolarHBondContact O-N 3.04Å; A19-W62 HydrophobicContact CB-CB 3.79Å; A19-L63 HydrophobicContact CB-CB 4.24Å |
| 20 | K | 95.3 | Very high | 93.2 | Very high | 132 Ų | 132 | 81 Ų | 81 | 57% | 0.574 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.8 | -35.2 | 176.2 | -73.2 | 179.3 | 178.7 | 176.5 | 0 | 112.8 | E16 R17 K24 | E16-K20 WeakPolarHBondContact O-CG 3.49Å; E16-K20 PolarHBondContact O-N 3.17Å; R17-K20 PolarHBondContact O-N 2.82Å; K20-K24 WeakPolarHBondContact O-CG 3.37Å; K20-K24 PolarHBondContact O-N 3.19Å; K20-K24 VanDerWaalsContact O-N 3.17Å |
| 21 | K | 95.4 | Very high | 93.2 | Very high | 125 Ų | 125 | 78.5 Ų | 78.5 | 54% | 0.543 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 175.6 | -172.3 | -178.9 | 176.1 | -173.9 | 0 | 111.2 | R17 L18 A19 K24 E25 | R17-K21 WeakPolarHBondContact O-CB 3.41Å; R17-K21 PolarHBondContact O-N 3.23Å; L18-K21 PolarHBondContact O-N 2.96Å; A19-K21 VanDerWaalsContact C-N 3.28Å; A19-K21 PolarHBondContact O-N 3Å; K21-K24 PolarHBondContact O-N 3.02Å; K21-E25 WeakPolarHBondContact CE-OE1 3.32Å; K21-E25 WeakPolarHBondContact O-CG 3.32Å; K21-E25 PolarHBondContact O-N 3.34Å |
| 22 | A | 93 | Very high | 93 | Very high | 5 Ų | 5 | 80.5 Ų | 80.5 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L18 A19 E25 S26 | L18-A22 WeakPolarHBondContact O-CB 3.3Å; L18-A22 PolarHBondContact O-N 3.29Å; A19-A22 PolarHBondContact O-N 3.38Å; A19-A22 VanDerWaalsContact O-N 3.13Å; A22-E25 PolarHBondContact O-N 2.81Å; A22-S26 WeakPolarHBondContact O-CB 3.4Å; A22-S26 PolarHBondContact O-N 3.35Å |
| 23 | E | 92.6 | Very high | 92.9 | Very high | 106 Ų | 106 | 81.6 Ų | 81.6 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 172.2 | -79.4 | -175.4 | 145.9 | 0 | 0 | 112.2 | A19 E25 S26 E27 | A19-E23 PolarHBondContact O-N 3.04Å; E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.74Å; E23-S26 WeakPolarHBondContact O-CA 3.37Å; E23-S26 WeakPolarHBondContact O-CB 3.37Å; E23-S26 PolarHBondContact O-N 3.16Å; E23-S26 VanDerWaalsContact O-N 3.1Å; E23-E27 PolarHBondContact O-N 2.94Å |
| 24 | K | 95.6 | Very high | 92.5 | Very high | 138 Ų | 138 | 81.8 Ų | 81.8 | 60% | 0.6 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.8 | -37.4 | 176.1 | -74.4 | -177.8 | 179.2 | -174.3 | 0 | 112.7 | K20 K21 K28 | K20-K24 WeakPolarHBondContact O-CG 3.37Å; K20-K24 PolarHBondContact O-N 3.19Å; K20-K24 VanDerWaalsContact O-N 3.17Å; K21-K24 PolarHBondContact O-N 3.02Å; K24-K28 WeakPolarHBondContact O-CG 3.41Å; K24-K28 PolarHBondContact O-N 2.97Å |
| 25 | E | 93.2 | Very high | 92.3 | Very high | 61 Ų | 61 | 83.6 Ų | 83.6 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 174.2 | -75.4 | 177.8 | -171.5 | 0 | 0 | 111.3 | K21 A22 E23 E27 K28 E29 K55 | K21-E25 WeakPolarHBondContact CE-OE1 3.32Å; K21-E25 WeakPolarHBondContact O-CG 3.32Å; K21-E25 PolarHBondContact O-N 3.34Å; A22-E25 PolarHBondContact O-N 2.81Å; E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.74Å; E25-E27 PolarHBondContact O-N 3.45Å; E25-K28 PolarHBondContact O-N 3.04Å; E25-E29 PolarHBondContact O-N 2.91Å; E25-K55 HydrophobicContact CB-CD 4.24Å; E25-K55 WeakPolarHBondContact OE2-CE 3.09Å; E25-K55 IonicContact OE2-NZ 3.15Å; E25-K55 PolarHBondContact OE2-NZ 3.34Å |
| 26 | S | 90 | Very high | 91.8 | Very high | 5 Ų | 5 | 83 Ų | 83 | 4% | 0.035 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 173.7 | 168.6 | 0 | 0 | 0 | 0 | 112 | A22 E23 K28 E29 Q30 A52 | A22-S26 WeakPolarHBondContact O-CB 3.4Å; A22-S26 PolarHBondContact O-N 3.35Å; E23-S26 WeakPolarHBondContact O-CA 3.37Å; E23-S26 WeakPolarHBondContact O-CB 3.37Å; E23-S26 PolarHBondContact O-N 3.16Å; E23-S26 VanDerWaalsContact O-N 3.1Å; S26-K28 VanDerWaalsContact C-N 3.31Å; S26-K28 PolarHBondContact O-N 3.45Å; S26-E29 PolarHBondContact O-N 3.28Å; S26-Q30 WeakPolarHBondContact O-CG 3.34Å; S26-Q30 PolarHBondContact O-N 3.32Å; S26-A52 PolarHBondContact OG-O 3.45Å |
| 27 | E | 93 | Very high | 91.3 | Very high | 126 Ų | 126 | 84.2 Ų | 84.2 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.6 | -39.6 | 177.4 | -71.8 | 177.7 | 170 | 0 | 0 | 112.5 | E23 E25 Q30 A31 | E23-E27 PolarHBondContact O-N 2.94Å; E25-E27 PolarHBondContact O-N 3.45Å; E27-Q30 PolarHBondContact O-N 3.41Å; E27-A31 PolarHBondContact O-N 3.48Å |
| 28 | K | 93.9 | Very high | 90.9 | Very high | 137 Ų | 137 | 83 Ų | 83 | 60% | 0.596 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 175.5 | -72.8 | 174.2 | -175.9 | -178.1 | 0 | 111.7 | K24 E25 S26 A31 K32 | K24-K28 WeakPolarHBondContact O-CG 3.41Å; K24-K28 PolarHBondContact O-N 2.97Å; E25-K28 PolarHBondContact O-N 3.04Å; S26-K28 VanDerWaalsContact C-N 3.31Å; S26-K28 PolarHBondContact O-N 3.45Å; K28-A31 WeakPolarHBondContact O-CB 3.33Å; K28-A31 PolarHBondContact O-N 2.99Å; K28-K32 WeakPolarHBondContact O-CG 3.36Å; K28-K32 PolarHBondContact O-N 3.24Å; K28-K32 VanDerWaalsContact O-N 3.11Å |
| 29 | E | 88.9 | Confident | 90.6 | Very high | 36 Ų | 36 | 86.9 Ų | 86.9 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 176.4 | -66.8 | -53.8 | 139.1 | 0 | 0 | 111.4 | E25 S26 A31 K32 V33 Y48 N51 A52 | E25-E29 PolarHBondContact O-N 2.91Å; S26-E29 PolarHBondContact O-N 3.28Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 3.43Å; E29-K32 WeakPolarHBondContact O-CA 3.47Å; E29-K32 WeakPolarHBondContact O-CB 3.21Å; E29-K32 PolarHBondContact O-N 3.05Å; E29-K32 IonicContact OE1-NZ 2.91Å; E29-K32 PolarHBondContact OE1-NZ 3.25Å; E29-K32 WeakPolarHBondContact OE2-CD 3.32Å; E29-K32 IonicContact OE2-NZ 3.89Å; E29-V33 WeakPolarHBondContact O-CG2 3.45Å; E29-V33 PolarHBondContact O-N 2.89Å; E29-Y48 VanDerWaalsContact OE2-CD1 3.23Å; E29-Y48 WeakPolarHBondContact OE2-CD1 3.43Å; E29-N51 HydrophobicContact CG-CB 4.48Å; E29-A52 HydrophobicContact CB-CB 3.85Å |
| 30 | Q | 89.6 | Confident | 90.4 | Very high | 87 Ų | 87 | 95.5 Ų | 95.5 | 41% | 0.407 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 172.4 | -70.7 | 178.1 | 5.9 | 0 | 0 | 112.6 | S26 E27 K32 V33 K34 A52 | S26-Q30 WeakPolarHBondContact O-CG 3.34Å; S26-Q30 PolarHBondContact O-N 3.32Å; E27-Q30 PolarHBondContact O-N 3.41Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-K32 PolarHBondContact O-N 3.41Å; Q30-V33 WeakPolarHBondContact O-CB 3.46Å; Q30-V33 PolarHBondContact O-N 3.12Å; Q30-K34 PolarHBondContact O-N 2.86Å; Q30-K34 VanDerWaalsContact O-N 3.09Å; Q30-A52 HydrophobicContact CG-CB 3.9Å |
| 31 | A | 92.6 | Very high | 89.9 | Confident | 50 Ų | 50 | 92.5 Ų | 92.5 | 41% | 0.413 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | E27 K28 E29 K34 K35 | E27-A31 PolarHBondContact O-N 3.48Å; K28-A31 WeakPolarHBondContact O-CB 3.33Å; K28-A31 PolarHBondContact O-N 2.99Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 3.43Å; A31-K34 PolarHBondContact O-N 2.89Å; A31-K35 WeakPolarHBondContact O-CG 3.31Å; A31-K35 PolarHBondContact O-N 3.47Å |
| 32 | K | 88.6 | Confident | 89.5 | Confident | 89 Ų | 89 | 91 Ų | 91 | 39% | 0.387 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 173.3 | -67.2 | 173.6 | -173.4 | 171.3 | 0 | 112.1 | K28 E29 Q30 K34 K35 A36 Y48 | K28-K32 WeakPolarHBondContact O-CG 3.36Å; K28-K32 PolarHBondContact O-N 3.24Å; K28-K32 VanDerWaalsContact O-N 3.11Å; E29-K32 WeakPolarHBondContact O-CA 3.47Å; E29-K32 WeakPolarHBondContact O-CB 3.21Å; E29-K32 PolarHBondContact O-N 3.05Å; E29-K32 IonicContact OE1-NZ 2.91Å; E29-K32 PolarHBondContact OE1-NZ 3.25Å; E29-K32 WeakPolarHBondContact OE2-CD 3.32Å; E29-K32 IonicContact OE2-NZ 3.89Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-K32 PolarHBondContact O-N 3.41Å; K32-K34 VanDerWaalsContact C-N 3.34Å; K32-K34 PolarHBondContact O-N 3.07Å; K32-K35 PolarHBondContact O-N 3.43Å; K32-A36 WeakPolarHBondContact O-CB 3.47Å; K32-A36 PolarHBondContact O-N 2.84Å; K32-Y48 HydrophobicContact CB-CD1 4.38Å; K32-Y48 HydrophobicContact CB-CD2 4.21Å; K32-Y48 HydrophobicContact CB-CG 4.15Å; K32-Y48 HydrophobicContact CD-CD1 4.26Å; K32-Y48 HydrophobicContact CD-CE1 4.15Å |
| 33 | V | 89.6 | Confident | 89.1 | Confident | 23 Ų | 23 | 96.7 Ų | 96.7 | 14% | 0.139 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -56.5 | -48.8 | 172.3 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | E29 Q30 K35 A36 L37 A45 Y48 A49 | E29-V33 WeakPolarHBondContact O-CG2 3.45Å; E29-V33 PolarHBondContact O-N 2.89Å; Q30-V33 WeakPolarHBondContact O-CB 3.46Å; Q30-V33 PolarHBondContact O-N 3.12Å; V33-K35 VanDerWaalsContact C-N 3.3Å; V33-K35 PolarHBondContact O-N 2.81Å; V33-A36 PolarHBondContact O-N 3.06Å; V33-L37 HydrophobicContact CG1-CD1 3.93Å; V33-L37 HydrophobicContact CG1-CG 4.32Å; V33-L37 WeakPolarHBondContact O-CG 3.48Å; V33-L37 PolarHBondContact O-N 2.69Å; V33-A45 HydrophobicContact CG1-CB 4.48Å; V33-Y48 VanDerWaalsContact CG2-C 3.47Å; V33-Y48 VanDerWaalsContact CG2-CB 3.49Å; V33-A49 HydrophobicContact CG2-CB 3.95Å; V33-A49 VanDerWaalsContact CG2-N 3.29Å |
| 34 | K | 87.8 | Confident | 88.5 | Confident | 145 Ų | 145 | 94.1 Ų | 94.1 | 63% | 0.63 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -57.3 | -42.6 | 178.1 | -70 | 178.3 | -178.5 | 179.6 | 0 | 112 | Q30 A31 K32 Q38 | Q30-K34 PolarHBondContact O-N 2.86Å; Q30-K34 VanDerWaalsContact O-N 3.09Å; A31-K34 PolarHBondContact O-N 2.89Å; K32-K34 VanDerWaalsContact C-N 3.34Å; K32-K34 PolarHBondContact O-N 3.07Å; K34-Q38 WeakPolarHBondContact O-CG 3.39Å; K34-Q38 PolarHBondContact O-N 3.39Å |
| 35 | K | 90.1 | Very high | 88 | Confident | 135 Ų | 135 | 87.8 Ų | 87.8 | 59% | 0.587 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | 176.5 | -70 | -179.8 | -180 | -175.7 | 0 | 112.7 | A31 K32 V33 L37 Q38 Q39 | A31-K35 WeakPolarHBondContact O-CG 3.31Å; A31-K35 PolarHBondContact O-N 3.47Å; K32-K35 PolarHBondContact O-N 3.43Å; V33-K35 VanDerWaalsContact C-N 3.3Å; V33-K35 PolarHBondContact O-N 2.81Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.16Å; K35-Q38 WeakPolarHBondContact O-CB 3.36Å; K35-Q38 PolarHBondContact O-N 2.96Å; K35-Q39 WeakPolarHBondContact O-CG 3.43Å; K35-Q39 PolarHBondContact O-N 3.31Å; K35-Q39 VanDerWaalsContact O-N 3.17Å |
| 36 | A | 83.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 92.8 Ų | 92.8 | 5% | 0.05 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K32 V33 Q39 K40 N41 A45 Y48 | K32-A36 WeakPolarHBondContact O-CB 3.47Å; K32-A36 PolarHBondContact O-N 2.84Å; V33-A36 PolarHBondContact O-N 3.06Å; A36-Q39 CarbonylContact O-C 3.59Å; A36-Q39 PolarHBondContact O-N 3.27Å; A36-K40 PolarHBondContact O-N 3.49Å; A36-N41 PolarHBondContact O-N 2.91Å; A36-N41 VanDerWaalsContact O-N 3.1Å; A36-A45 HydrophobicContact CB-CB 3.89Å; A36-Y48 HydrophobicContact CB-CD2 4.27Å |
| 37 | L | 81.6 | Confident | 87.5 | Confident | 102 Ų | 102 | 96.3 Ų | 96.3 | 53% | 0.534 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 173.7 | -71.8 | 172.6 | 0 | 0 | 0 | 112.4 | V33 K35 Q39 K40 A45 | V33-L37 HydrophobicContact CG1-CD1 3.93Å; V33-L37 HydrophobicContact CG1-CG 4.32Å; V33-L37 WeakPolarHBondContact O-CG 3.48Å; V33-L37 PolarHBondContact O-N 2.69Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.16Å; L37-Q39 PolarHBondContact O-N 2.97Å; L37-K40 PolarHBondContact O-N 3.46Å; L37-A45 HydrophobicContact CD2-CB 3.82Å; L37-A45 HydrophobicContact CG-CB 3.98Å |
| 38 | Q | 88.3 | Confident | 87.2 | Confident | 161 Ų | 161 | 94.4 Ų | 94.4 | 75% | 0.752 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.5 | -32.9 | 174.1 | -72.3 | 172.4 | -11.8 | 0 | 0 | 112.4 | K34 K35 K40 | K34-Q38 WeakPolarHBondContact O-CG 3.39Å; K34-Q38 PolarHBondContact O-N 3.39Å; K35-Q38 WeakPolarHBondContact O-CB 3.36Å; K35-Q38 PolarHBondContact O-N 2.96Å; Q38-K40 PolarHBondContact O-N 3.46Å |
| 39 | Q | 87.9 | Confident | 86.9 | Confident | 149 Ų | 149 | 89.4 Ų | 89.4 | 70% | 0.696 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 4.8 | 176.2 | -65.8 | 174.1 | -1.1 | 0 | 0 | 113.2 | K35 A36 L37 N41 | K35-Q39 WeakPolarHBondContact O-CG 3.43Å; K35-Q39 PolarHBondContact O-N 3.31Å; K35-Q39 VanDerWaalsContact O-N 3.17Å; A36-Q39 CarbonylContact O-C 3.59Å; A36-Q39 PolarHBondContact O-N 3.27Å; L37-Q39 PolarHBondContact O-N 2.97Å; Q39-N41 PolarHBondContact O-N 2.86Å; Q39-N41 VanDerWaalsContact O-N 3.11Å |
| 40 | K | 87.3 | Confident | 86.9 | Confident | 187 Ų | 187 | 94.2 Ų | 94.2 | 81% | 0.813 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 20.7 | -175.2 | -64 | -174.8 | 176.9 | -176.3 | 0 | 114.4 | A36 L37 Q38 V42 | A36-K40 PolarHBondContact O-N 3.49Å; L37-K40 PolarHBondContact O-N 3.46Å; Q38-K40 PolarHBondContact O-N 3.46Å; K40-V42 PolarHBondContact O-N 2.96Å |
| 41 | N | 86 | Confident | 86.8 | Confident | 69 Ų | 69 | 92.3 Ų | 92.3 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | trans | -93.3 | 87.8 | 177.3 | -170.9 | -17.8 | 0 | 0 | 0 | 110.2 | A36 Q39 C44 A45 | A36-N41 PolarHBondContact O-N 2.91Å; A36-N41 VanDerWaalsContact O-N 3.1Å; Q39-N41 PolarHBondContact O-N 2.86Å; Q39-N41 VanDerWaalsContact O-N 3.11Å; N41-C44 HydrophobicContact CB-CB 4.46Å; N41-C44 PolarHBondContact ND2-SG 3.11Å; N41-C44 PolarHBondContact OD1-N 2.89Å; N41-A45 WeakPolarHBondContact O-CB 3.25Å; N41-A45 PolarHBondContact O-N 3.34Å; N41-A45 VanDerWaalsContact O-N 3.13Å | ||
| 42 | V | 85.7 | Confident | 86.5 | Confident | 93 Ų | 93 | 90.1 Ų | 90.1 | 56% | 0.564 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.3 | -37.1 | -173.7 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | K40 A45 R46 | K40-V42 PolarHBondContact O-N 2.96Å; V42-A45 PolarHBondContact O-N 3.45Å; V42-R46 PolarHBondContact O-N 3.3Å |
| 43 | E | 84.9 | Confident | 86.6 | Confident | 126 Ų | 126 | 90.8 Ų | 90.8 | 59% | 0.589 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.9 | -46 | -180 | -66.7 | -58.6 | 131.6 | 0 | 0 | 111.5 | A45 R46 V47 | E43-A45 PolarHBondContact O-N 3.19Å; E43-R46 PolarHBondContact O-N 3.38Å; E43-V47 PolarHBondContact O-N 2.87Å |
| 44 | C | 80.6 | Confident | 86.7 | Confident | 51 Ų | 51 | 95.6 Ų | 95.6 | 35% | 0.345 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 175.2 | -70.7 | 0 | 0 | 0 | 0 | 112.5 | N41 R46 V47 Y48 | N41-C44 HydrophobicContact CB-CB 4.46Å; N41-C44 PolarHBondContact ND2-SG 3.11Å; N41-C44 PolarHBondContact OD1-N 2.89Å; C44-R46 VanDerWaalsContact C-N 3.31Å; C44-R46 PolarHBondContact O-N 3.38Å; C44-V47 PolarHBondContact O-N 3.09Å; C44-Y48 HydrophobicContact CB-CE2 4.21Å; C44-Y48 WeakPolarHBondContact O-CD2 3.49Å; C44-Y48 PolarHBondContact O-N 2.85Å; C44-Y48 VanDerWaalsContact O-N 3.08Å |
| 45 | A | 84.4 | Confident | 86.8 | Confident | 5 Ų | 5 | 90.9 Ų | 90.9 | 4% | 0.041 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V33 A36 L37 N41 V42 E43 Y48 A49 | V33-A45 HydrophobicContact CG1-CB 4.48Å; A36-A45 HydrophobicContact CB-CB 3.89Å; L37-A45 HydrophobicContact CD2-CB 3.82Å; L37-A45 HydrophobicContact CG-CB 3.98Å; N41-A45 WeakPolarHBondContact O-CB 3.25Å; N41-A45 PolarHBondContact O-N 3.34Å; N41-A45 VanDerWaalsContact O-N 3.13Å; V42-A45 PolarHBondContact O-N 3.45Å; E43-A45 PolarHBondContact O-N 3.19Å; A45-Y48 PolarHBondContact O-N 3.45Å; A45-A49 WeakPolarHBondContact O-CB 3.3Å; A45-A49 PolarHBondContact O-N 3.22Å |
| 46 | R | 83.7 | Confident | 86.9 | Confident | 167 Ų | 167 | 89.9 Ų | 89.9 | 63% | 0.63 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 176.6 | -177.1 | 178.4 | -89.8 | 169.3 | -8.6 | 111.8 | V42 E43 C44 A49 E50 | V42-R46 PolarHBondContact O-N 3.3Å; E43-R46 PolarHBondContact O-N 3.38Å; C44-R46 VanDerWaalsContact C-N 3.31Å; C44-R46 PolarHBondContact O-N 3.38Å; R46-A49 PolarHBondContact O-N 3.12Å; R46-E50 PolarHBondContact O-N 3.41Å |
| 47 | V | 89.8 | Confident | 87.1 | Confident | 79 Ų | 79 | 94.1 Ų | 94.1 | 48% | 0.479 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 178.1 | 176.2 | 0 | 0 | 0 | 0 | 112 | E43 C44 A49 E50 N51 | E43-V47 PolarHBondContact O-N 2.87Å; C44-V47 PolarHBondContact O-N 3.09Å; V47-A49 VanDerWaalsContact C-N 3.33Å; V47-A49 PolarHBondContact O-N 3.39Å; V47-E50 PolarHBondContact O-N 3.11Å; V47-N51 PolarHBondContact O-N 3.16Å; V47-N51 VanDerWaalsContact O-N 3.09Å; V47-N51 PolarHBondContact O-ND2 3.4Å |
| 48 | Y | 86.2 | Confident | 87.4 | Confident | 85 Ų | 85 | 92 Ų | 92 | 33% | 0.333 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67 | -34.3 | 175.9 | -67.5 | -50.6 | 0 | 0 | 0 | 112.4 | E29 K32 V33 A36 C44 A45 N51 A52 | E29-Y48 VanDerWaalsContact OE2-CD1 3.23Å; E29-Y48 WeakPolarHBondContact OE2-CD1 3.43Å; K32-Y48 HydrophobicContact CB-CD1 4.38Å; K32-Y48 HydrophobicContact CB-CD2 4.21Å; K32-Y48 HydrophobicContact CB-CG 4.15Å; K32-Y48 HydrophobicContact CD-CD1 4.26Å; K32-Y48 HydrophobicContact CD-CE1 4.15Å; V33-Y48 VanDerWaalsContact CG2-C 3.47Å; V33-Y48 VanDerWaalsContact CG2-CB 3.49Å; A36-Y48 HydrophobicContact CB-CD2 4.27Å; C44-Y48 HydrophobicContact CB-CE2 4.21Å; C44-Y48 WeakPolarHBondContact O-CD2 3.49Å; C44-Y48 PolarHBondContact O-N 2.85Å; C44-Y48 VanDerWaalsContact O-N 3.08Å; A45-Y48 PolarHBondContact O-N 3.45Å; Y48-N51 PolarHBondContact O-N 3.32Å; Y48-A52 WeakPolarHBondContact O-CB 3.33Å; Y48-A52 PolarHBondContact O-N 2.95Å |
| 49 | A | 87.3 | Confident | 87.4 | Confident | 33 Ų | 33 | 84.4 Ų | 84.4 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V33 A45 R46 V47 N51 A52 I53 | V33-A49 HydrophobicContact CG2-CB 3.95Å; V33-A49 VanDerWaalsContact CG2-N 3.29Å; A45-A49 WeakPolarHBondContact O-CB 3.3Å; A45-A49 PolarHBondContact O-N 3.22Å; R46-A49 PolarHBondContact O-N 3.12Å; V47-A49 VanDerWaalsContact C-N 3.33Å; V47-A49 PolarHBondContact O-N 3.39Å; A49-N51 VanDerWaalsContact C-N 3.34Å; A49-N51 PolarHBondContact O-N 3.05Å; A49-A52 WeakPolarHBondContact O-CB 3.44Å; A49-A52 PolarHBondContact O-N 3.23Å; A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 2.93Å |
| 50 | E | 90.1 | Very high | 87.6 | Confident | 136 Ų | 136 | 80.7 Ų | 80.7 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.5 | -44.9 | 174.9 | -171.4 | 179.6 | 173.3 | 0 | 0 | 111.4 | R46 V47 A52 I53 R54 | R46-E50 PolarHBondContact O-N 3.41Å; V47-E50 PolarHBondContact O-N 3.11Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 3.36Å; E50-I53 PolarHBondContact O-N 3.4Å; E50-R54 WeakPolarHBondContact O-CB 3.33Å; E50-R54 PolarHBondContact O-N 2.83Å |
| 51 | N | 86.5 | Confident | 87.7 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 175.3 | -81.1 | -42.3 | 0 | 0 | 0 | 112.8 | E29 V47 Y48 A49 R54 K55 | E29-N51 HydrophobicContact CG-CB 4.48Å; V47-N51 PolarHBondContact O-N 3.16Å; V47-N51 VanDerWaalsContact O-N 3.09Å; V47-N51 PolarHBondContact O-ND2 3.4Å; Y48-N51 PolarHBondContact O-N 3.32Å; A49-N51 VanDerWaalsContact C-N 3.34Å; A49-N51 PolarHBondContact O-N 3.05Å; N51-R54 PolarHBondContact O-N 2.82Å; N51-R54 PolarHBondContact OD1-NH2 2.9Å; N51-K55 WeakPolarHBondContact O-CB 3.48Å; N51-K55 WeakPolarHBondContact O-CG 3.32Å; N51-K55 PolarHBondContact O-N 3.15Å |
| 52 | A | 86.8 | Confident | 88 | Confident | 4 Ų | 4 | 77 Ų | 77 | 3% | 0.033 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S26 E29 Q30 Y48 A49 E50 K55 K56 | S26-A52 PolarHBondContact OG-O 3.45Å; E29-A52 HydrophobicContact CB-CB 3.85Å; Q30-A52 HydrophobicContact CG-CB 3.9Å; Y48-A52 WeakPolarHBondContact O-CB 3.33Å; Y48-A52 PolarHBondContact O-N 2.95Å; A49-A52 WeakPolarHBondContact O-CB 3.44Å; A49-A52 PolarHBondContact O-N 3.23Å; E50-A52 VanDerWaalsContact C-N 3.34Å; E50-A52 PolarHBondContact O-N 3.36Å; A52-K55 PolarHBondContact O-N 3.11Å; A52-K56 WeakPolarHBondContact O-CB 3.39Å; A52-K56 PolarHBondContact O-N 3.39Å |
| 53 | I | 89.9 | Confident | 88.2 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 178.3 | -67.6 | 169.7 | 0 | 0 | 0 | 110.5 | A49 E50 K55 K56 N57 | A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 2.93Å; E50-I53 PolarHBondContact O-N 3.4Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.43Å; I53-K56 PolarHBondContact O-N 3.01Å; I53-N57 PolarHBondContact O-N 2.92Å |
| 54 | R | 92.2 | Very high | 88.5 | Confident | 123 Ų | 123 | 77.4 Ų | 77.4 | 46% | 0.464 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 176.4 | -175.7 | 175.5 | 63.3 | 98.7 | -11.3 | 111.5 | E50 N51 N57 E58 | E50-R54 WeakPolarHBondContact O-CB 3.33Å; E50-R54 PolarHBondContact O-N 2.83Å; N51-R54 PolarHBondContact O-N 2.82Å; N51-R54 PolarHBondContact OD1-NH2 2.9Å; R54-N57 PolarHBondContact O-N 2.9Å; R54-E58 IonicContact CZ-OE1 2.69Å; R54-E58 IonicContact NH1-OE1 2.71Å; R54-E58 PolarHBondContact NH1-OE1 3.32Å; R54-E58 WeakPolarHBondContact O-CG 3.44Å; R54-E58 PolarHBondContact O-N 3.47Å |
| 55 | K | 91.1 | Very high | 89 | Confident | 46 Ų | 46 | 79.4 Ų | 79.4 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 178.5 | -76.1 | -75.5 | 172.5 | 178.6 | 0 | 113.1 | E25 N51 A52 I53 E58 G59 | E25-K55 HydrophobicContact CB-CD 4.24Å; E25-K55 WeakPolarHBondContact OE2-CE 3.09Å; E25-K55 IonicContact OE2-NZ 3.15Å; E25-K55 PolarHBondContact OE2-NZ 3.34Å; N51-K55 WeakPolarHBondContact O-CB 3.48Å; N51-K55 WeakPolarHBondContact O-CG 3.32Å; N51-K55 PolarHBondContact O-N 3.15Å; A52-K55 PolarHBondContact O-N 3.11Å; I53-K55 VanDerWaalsContact C-N 3.34Å; I53-K55 PolarHBondContact O-N 3.43Å; K55-E58 IonicContact NZ-OE2 3.96Å; K55-E58 PolarHBondContact NZ-OE2 3.31Å; K55-E58 PolarHBondContact O-N 3.49Å; K55-G59 PolarHBondContact O-N 3.38Å |
| 56 | K | 91 | Very high | 89.3 | Confident | 115 Ų | 115 | 79.2 Ų | 79.2 | 50% | 0.5 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 172.9 | -171.3 | -176.3 | 174.4 | 79.3 | 0 | 111.1 | A52 I53 G59 V60 | A52-K56 WeakPolarHBondContact O-CB 3.39Å; A52-K56 PolarHBondContact O-N 3.39Å; I53-K56 PolarHBondContact O-N 3.01Å; K56-G59 PolarHBondContact O-N 2.88Å; K56-V60 WeakPolarHBondContact O-CG2 3.31Å; K56-V60 PolarHBondContact O-N 3.15Å |
| 57 | N | 88.4 | Confident | 89.7 | Confident | 95 Ų | 95 | 74.7 Ų | 74.7 | 51% | 0.508 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 177.5 | -72.6 | -12.1 | 0 | 0 | 0 | 112.3 | I53 R54 G59 V60 N61 | I53-N57 PolarHBondContact O-N 2.92Å; R54-N57 PolarHBondContact O-N 2.9Å; N57-G59 VanDerWaalsContact C-N 3.31Å; N57-G59 PolarHBondContact O-N 2.69Å; N57-V60 PolarHBondContact O-N 3.48Å; N57-N61 PolarHBondContact O-N 2.91Å |
| 58 | E | 87.2 | Confident | 89.7 | Confident | 56 Ų | 56 | 79 Ų | 79 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56 | -46.6 | 170.5 | -77.2 | 173.6 | -162.8 | 0 | 0 | 110.6 | R54 K55 V60 N61 W62 | R54-E58 IonicContact CZ-OE1 2.69Å; R54-E58 IonicContact NH1-OE1 2.71Å; R54-E58 PolarHBondContact NH1-OE1 3.32Å; R54-E58 WeakPolarHBondContact O-CG 3.44Å; R54-E58 PolarHBondContact O-N 3.47Å; K55-E58 IonicContact NZ-OE2 3.96Å; K55-E58 PolarHBondContact NZ-OE2 3.31Å; K55-E58 PolarHBondContact O-N 3.49Å; E58-V60 PolarHBondContact O-N 2.84Å; E58-N61 PolarHBondContact O-N 3.11Å; E58-W62 PolarHBondContact O-N 3.46Å |
| 59 | G | 89 | Confident | 90 | Very high | 3 Ų | 3 | 76.4 Ų | 76.4 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K55 K56 N57 N61 W62 L63 | K55-G59 PolarHBondContact O-N 3.38Å; K56-G59 PolarHBondContact O-N 2.88Å; N57-G59 VanDerWaalsContact C-N 3.31Å; N57-G59 PolarHBondContact O-N 2.69Å; G59-N61 VanDerWaalsContact C-N 3.34Å; G59-N61 PolarHBondContact O-N 3.34Å; G59-W62 PolarHBondContact O-N 3.33Å; G59-L63 PolarHBondContact O-N 2.94Å |
| 60 | V | 91.3 | Very high | 90.1 | Very high | 71 Ų | 71 | 77.4 Ų | 77.4 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 177 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | K56 N57 E58 L63 R64 | K56-V60 WeakPolarHBondContact O-CG2 3.31Å; K56-V60 PolarHBondContact O-N 3.15Å; N57-V60 PolarHBondContact O-N 3.48Å; E58-V60 PolarHBondContact O-N 2.84Å; V60-L63 PolarHBondContact O-N 3.16Å; V60-R64 WeakPolarHBondContact O-CB 3.36Å; V60-R64 PolarHBondContact O-N 3.5Å |
| 61 | N | 90.6 | Very high | 90.1 | Very high | 92 Ų | 92 | 73.4 Ų | 73.4 | 49% | 0.492 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.7 | -96.1 | -4.8 | 0 | 0 | 0 | 112.1 | N57 E58 G59 L63 R64 M65 | N57-N61 PolarHBondContact O-N 2.91Å; E58-N61 PolarHBondContact O-N 3.11Å; G59-N61 VanDerWaalsContact C-N 3.34Å; G59-N61 PolarHBondContact O-N 3.34Å; N61-L63 VanDerWaalsContact C-N 3.35Å; N61-L63 PolarHBondContact O-N 2.93Å; N61-R64 PolarHBondContact O-N 3.3Å; N61-M65 WeakPolarHBondContact O-CG 3.44Å; N61-M65 PolarHBondContact O-N 3.14Å |
| 62 | W | 91.1 | Very high | 90.2 | Very high | 87 Ų | 87 | 74.8 Ų | 74.8 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 175.5 | -69.9 | 125.9 | 0 | 0 | 0 | 112.2 | L15 L18 A19 E58 G59 M65 A66 | L15-W62 HydrophobicContact CD2-CE3 3.54Å; L15-W62 HydrophobicContact CD2-CZ3 3.64Å; L18-W62 HydrophobicContact CB-CG 4.42Å; A19-W62 HydrophobicContact CB-CB 3.79Å; E58-W62 PolarHBondContact O-N 3.46Å; G59-W62 PolarHBondContact O-N 3.33Å; W62-M65 HydrophobicContact CE3-SD 4.22Å; W62-M65 HydrophobicContact CZ3-CE 4.28Å; W62-M65 HydrophobicContact CZ3-SD 4.23Å; W62-M65 PolarHBondContact O-N 2.87Å; W62-A66 WeakPolarHBondContact O-CB 3.28Å; W62-A66 PolarHBondContact O-N 3.34Å |
| 63 | L | 90.8 | Very high | 90.4 | Very high | 89 Ų | 89 | 74.6 Ų | 74.6 | 47% | 0.466 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 176.3 | -174.9 | 63.8 | 0 | 0 | 0 | 111.4 | A19 G59 V60 N61 M65 A66 S67 | A19-L63 HydrophobicContact CB-CB 4.24Å; G59-L63 PolarHBondContact O-N 2.94Å; V60-L63 PolarHBondContact O-N 3.16Å; N61-L63 VanDerWaalsContact C-N 3.35Å; N61-L63 PolarHBondContact O-N 2.93Å; L63-M65 VanDerWaalsContact C-N 3.33Å; L63-M65 PolarHBondContact O-N 2.93Å; L63-A66 WeakPolarHBondContact O-CB 3.47Å; L63-A66 PolarHBondContact O-N 3Å; L63-A66 VanDerWaalsContact O-N 3.16Å; L63-S67 PolarHBondContact O-N 3.46Å; L63-S67 PolarHBondContact O-OG 2.84Å |
| 64 | R | 91.4 | Very high | 90.4 | Very high | 137 Ų | 137 | 72.3 Ų | 72.3 | 52% | 0.517 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 176.5 | -173.5 | -177.8 | -67.6 | 177.8 | -2.6 | 112 | V60 N61 R68 | V60-R64 WeakPolarHBondContact O-CB 3.36Å; V60-R64 PolarHBondContact O-N 3.5Å; N61-R64 PolarHBondContact O-N 3.3Å; R64-R68 VanDerWaalsContact O-CG 3.31Å; R64-R68 WeakPolarHBondContact O-CG 3.29Å; R64-R68 PolarHBondContact O-N 3.16Å; R64-R68 VanDerWaalsContact O-N 3.14Å |
| 65 | M | 90.1 | Very high | 90.2 | Very high | 94 Ų | 94 | 74.1 Ų | 74.1 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 174.7 | -75.3 | 174.4 | 70.2 | 0 | 0 | 111.5 | L15 N61 W62 L63 R68 V69 | L15-M65 HydrophobicContact CD1-CB 4.13Å; N61-M65 WeakPolarHBondContact O-CG 3.44Å; N61-M65 PolarHBondContact O-N 3.14Å; W62-M65 HydrophobicContact CE3-SD 4.22Å; W62-M65 HydrophobicContact CZ3-CE 4.28Å; W62-M65 HydrophobicContact CZ3-SD 4.23Å; W62-M65 PolarHBondContact O-N 2.87Å; L63-M65 VanDerWaalsContact C-N 3.33Å; L63-M65 PolarHBondContact O-N 2.93Å; M65-R68 PolarHBondContact O-N 3.27Å; M65-V69 VanDerWaalsContact O-CG2 3.3Å; M65-V69 WeakPolarHBondContact O-CG2 3.49Å; M65-V69 PolarHBondContact O-N 3.41Å |
| 66 | A | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S12 L15 E16 W62 L63 R68 V69 D70 | S12-A66 PolarHBondContact OG-O 3.38Å; L15-A66 HydrophobicContact CB-CB 3.75Å; E16-A66 HydrophobicContact CG-CB 3.82Å; W62-A66 WeakPolarHBondContact O-CB 3.28Å; W62-A66 PolarHBondContact O-N 3.34Å; L63-A66 WeakPolarHBondContact O-CB 3.47Å; L63-A66 PolarHBondContact O-N 3Å; L63-A66 VanDerWaalsContact O-N 3.16Å; A66-R68 VanDerWaalsContact C-N 3.31Å; A66-R68 PolarHBondContact O-N 2.81Å; A66-V69 PolarHBondContact O-N 3.47Å; A66-V69 VanDerWaalsContact O-N 3.16Å; A66-D70 PolarHBondContact O-N 3.4Å |
| 67 | S | 90.9 | Very high | 89.9 | Confident | 72 Ų | 72 | 71.7 Ų | 71.7 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | L63 D70 A71 | L63-S67 PolarHBondContact O-N 3.46Å; L63-S67 PolarHBondContact O-OG 2.84Å; S67-D70 PolarHBondContact O-N 2.76Å; S67-A71 WeakPolarHBondContact O-CB 3.25Å; S67-A71 PolarHBondContact O-N 3.01Å |
| 68 | R | 90.4 | Very high | 89.9 | Confident | 170 Ų | 170 | 71.3 Ų | 71.3 | 64% | 0.642 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 175.7 | -73.6 | 174.4 | 176.4 | -166.9 | -1.9 | 111.9 | R64 M65 A66 D70 A71 V72 | R64-R68 VanDerWaalsContact O-CG 3.31Å; R64-R68 WeakPolarHBondContact O-CG 3.29Å; R64-R68 PolarHBondContact O-N 3.16Å; R64-R68 VanDerWaalsContact O-N 3.14Å; M65-R68 PolarHBondContact O-N 3.27Å; A66-R68 VanDerWaalsContact C-N 3.31Å; A66-R68 PolarHBondContact O-N 2.81Å; R68-D70 VanDerWaalsContact C-N 3.35Å; R68-A71 PolarHBondContact O-N 2.84Å; R68-V72 WeakPolarHBondContact O-CG2 3.31Å; R68-V72 PolarHBondContact O-N 3.45Å; R68-V72 VanDerWaalsContact O-N 3.12Å |
| 69 | V | 91.9 | Very high | 89.8 | Confident | 31 Ų | 31 | 71.3 Ų | 71.3 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | L8 L15 M65 A66 V72 A73 | L8-V69 HydrophobicContact CB-CG1 4.49Å; L8-V69 HydrophobicContact CD2-CG1 4.15Å; L8-V69 WeakPolarHBondContact O-CG1 3.49Å; L15-V69 HydrophobicContact CD1-CG2 4.09Å; M65-V69 VanDerWaalsContact O-CG2 3.3Å; M65-V69 WeakPolarHBondContact O-CG2 3.49Å; M65-V69 PolarHBondContact O-N 3.41Å; A66-V69 PolarHBondContact O-N 3.47Å; A66-V69 VanDerWaalsContact O-N 3.16Å; V69-V72 PolarHBondContact O-N 3.19Å; V69-A73 WeakPolarHBondContact O-CB 3.45Å; V69-A73 PolarHBondContact O-N 2.69Å |
| 70 | D | 89.6 | Confident | 89.8 | Confident | 54 Ų | 54 | 72 Ų | 72 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 177.5 | -158.4 | 63.3 | 0 | 0 | 0 | 112.4 | R9 A66 S67 R68 V72 A73 S74 | R9-D70 IonicContact CZ-OD1 3.37Å; R9-D70 IonicContact NE-OD1 3.62Å; R9-D70 VanDerWaalsContact NH1-CG 3.26Å; R9-D70 IonicContact NH1-OD1 2.82Å; R9-D70 PolarHBondContact NH1-OD1 3.39Å; R9-D70 IonicContact NH1-OD2 3.62Å; R9-D70 PolarHBondContact NH1-OD2 3.5Å; R9-D70 VanDerWaalsContact NH1-OD2 3.15Å; A66-D70 PolarHBondContact O-N 3.4Å; S67-D70 PolarHBondContact O-N 2.76Å; R68-D70 VanDerWaalsContact C-N 3.35Å; D70-V72 VanDerWaalsContact C-N 3.31Å; D70-V72 PolarHBondContact O-N 3Å; D70-A73 WeakPolarHBondContact O-CB 3.5Å; D70-A73 PolarHBondContact O-N 3.15Å; D70-A73 VanDerWaalsContact O-N 3.16Å; D70-S74 WeakPolarHBondContact O-CB 3.25Å; D70-S74 PolarHBondContact O-N 3.07Å |
| 71 | A | 89.7 | Confident | 89.5 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S67 R68 S74 K75 | S67-A71 WeakPolarHBondContact O-CB 3.25Å; S67-A71 PolarHBondContact O-N 3.01Å; R68-A71 PolarHBondContact O-N 2.84Å; A71-S74 PolarHBondContact O-N 3.34Å; A71-K75 WeakPolarHBondContact O-CG 3.46Å; A71-K75 PolarHBondContact O-N 2.98Å; A71-K75 VanDerWaalsContact O-N 3.11Å |
| 72 | V | 90.1 | Very high | 89.3 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 46% | 0.461 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 174.5 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | L8 R68 V69 D70 S74 K75 V76 | L8-V72 HydrophobicContact CD1-CG1 4.35Å; R68-V72 WeakPolarHBondContact O-CG2 3.31Å; R68-V72 PolarHBondContact O-N 3.45Å; R68-V72 VanDerWaalsContact O-N 3.12Å; V69-V72 PolarHBondContact O-N 3.19Å; D70-V72 VanDerWaalsContact C-N 3.31Å; D70-V72 PolarHBondContact O-N 3Å; V72-S74 VanDerWaalsContact C-N 3.27Å; V72-S74 PolarHBondContact O-N 2.91Å; V72-K75 PolarHBondContact O-N 3.42Å; V72-V76 HydrophobicContact CG1-CG2 4.41Å; V72-V76 WeakPolarHBondContact O-CG2 3.28Å; V72-V76 PolarHBondContact O-N 3.28Å |
| 73 | A | 89.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L5 L8 R9 V69 D70 V76 Q77 | L5-A73 WeakPolarHBondContact CD1-O 3.27Å; L8-A73 HydrophobicContact CB-CB 3.9Å; R9-A73 HydrophobicContact CG-CB 4.06Å; V69-A73 WeakPolarHBondContact O-CB 3.45Å; V69-A73 PolarHBondContact O-N 2.69Å; D70-A73 WeakPolarHBondContact O-CB 3.5Å; D70-A73 PolarHBondContact O-N 3.15Å; D70-A73 VanDerWaalsContact O-N 3.16Å; A73-V76 PolarHBondContact O-N 3.28Å; A73-Q77 PolarHBondContact O-N 3.32Å |
| 74 | S | 89.4 | Confident | 88.9 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | 175.9 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | D70 A71 V72 V76 Q77 T78 | D70-S74 WeakPolarHBondContact O-CB 3.25Å; D70-S74 PolarHBondContact O-N 3.07Å; A71-S74 PolarHBondContact O-N 3.34Å; V72-S74 VanDerWaalsContact C-N 3.27Å; V72-S74 PolarHBondContact O-N 2.91Å; S74-V76 VanDerWaalsContact C-N 3.32Å; S74-V76 PolarHBondContact O-N 2.88Å; S74-Q77 WeakPolarHBondContact O-CB 3.28Å; S74-Q77 PolarHBondContact O-N 3.21Å; S74-Q77 VanDerWaalsContact O-N 3.11Å; S74-T78 PolarHBondContact O-N 3.26Å; S74-T78 PolarHBondContact O-OG1 3.48Å |
| 75 | K | 87.9 | Confident | 88.7 | Confident | 162 Ų | 162 | 70.4 Ų | 70.4 | 70% | 0.704 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | 174.6 | -69 | -178.7 | -177.6 | -169.7 | 0 | 112.3 | A71 V72 Q77 T78 A79 | A71-K75 WeakPolarHBondContact O-CG 3.46Å; A71-K75 PolarHBondContact O-N 2.98Å; A71-K75 VanDerWaalsContact O-N 3.11Å; V72-K75 PolarHBondContact O-N 3.42Å; K75-Q77 VanDerWaalsContact C-N 3.34Å; K75-T78 PolarHBondContact O-N 2.86Å; K75-A79 PolarHBondContact O-N 3.45Å; K75-A79 VanDerWaalsContact O-N 3.07Å |
| 76 | V | 88.9 | Confident | 88.6 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 175.7 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | L5 L8 V72 A73 S74 A79 V80 | L5-V76 HydrophobicContact CB-CG1 4.15Å; L5-V76 HydrophobicContact CD1-CB 4.13Å; L5-V76 HydrophobicContact CD1-CG1 3.89Å; L8-V76 HydrophobicContact CD1-CG2 4.21Å; V72-V76 HydrophobicContact CG1-CG2 4.41Å; V72-V76 WeakPolarHBondContact O-CG2 3.28Å; V72-V76 PolarHBondContact O-N 3.28Å; A73-V76 PolarHBondContact O-N 3.28Å; S74-V76 VanDerWaalsContact C-N 3.32Å; S74-V76 PolarHBondContact O-N 2.88Å; V76-A79 PolarHBondContact O-N 3.45Å; V76-V80 HydrophobicContact CG1-CG2 4.31Å; V76-V80 WeakPolarHBondContact O-CG2 3.4Å; V76-V80 PolarHBondContact O-N 3.01Å |
| 77 | Q | 88.4 | Confident | 88.5 | Confident | 71 Ų | 71 | 76.8 Ų | 76.8 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.7 | -50.6 | 175.3 | -173.6 | 57.9 | 53.4 | 0 | 0 | 110.8 | L5 A73 S74 K75 A79 V80 T81 | L5-Q77 HydrophobicContact CD1-CB 3.6Å; L5-Q77 HydrophobicContact CD1-CG 4.36Å; L5-Q77 VanDerWaalsContact CD1-OE1 3.23Å; A73-Q77 PolarHBondContact O-N 3.32Å; S74-Q77 WeakPolarHBondContact O-CB 3.28Å; S74-Q77 PolarHBondContact O-N 3.21Å; S74-Q77 VanDerWaalsContact O-N 3.11Å; K75-Q77 VanDerWaalsContact C-N 3.34Å; Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 2.97Å; Q77-V80 PolarHBondContact O-N 3.37Å; Q77-V80 VanDerWaalsContact O-N 3.16Å; Q77-T81 PolarHBondContact NE2-OG1 3.05Å; Q77-T81 PolarHBondContact O-N 3.47Å; Q77-T81 PolarHBondContact O-OG1 2.94Å; Q77-T81 VanDerWaalsContact O-OG1 3.09Å |
| 78 | T | 88.5 | Confident | 88.4 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 53% | 0.534 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 178.5 | -57 | 0 | 0 | 0 | 0 | 110.8 | S74 K75 V80 T81 M82 | S74-T78 PolarHBondContact O-N 3.26Å; S74-T78 PolarHBondContact O-OG1 3.48Å; K75-T78 PolarHBondContact O-N 2.86Å; T78-V80 PolarHBondContact O-N 3.41Å; T78-T81 PolarHBondContact O-N 2.94Å; T78-M82 WeakPolarHBondContact O-CB 3.45Å; T78-M82 PolarHBondContact O-N 3.15Å |
| 79 | A | 85.5 | Confident | 88.2 | Confident | 56 Ų | 56 | 75.7 Ų | 75.7 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K75 V76 Q77 K83 | K75-A79 PolarHBondContact O-N 3.45Å; K75-A79 VanDerWaalsContact O-N 3.07Å; V76-A79 PolarHBondContact O-N 3.45Å; Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 2.97Å; A79-K83 VanDerWaalsContact O-CB 3.3Å; A79-K83 WeakPolarHBondContact O-CB 3.42Å; A79-K83 PolarHBondContact O-N 2.79Å |
| 80 | V | 87.1 | Confident | 87.9 | Confident | 19 Ų | 19 | 75.6 Ų | 75.6 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.7 | -47.7 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | M1 E2 V76 Q77 T78 M82 K83 G84 | M1-V80 HydrophobicContact CB-CG2 3.89Å; M1-V80 HydrophobicContact SD-CG2 4.33Å; E2-V80 HydrophobicContact CG-CG1 3.94Å; V76-V80 HydrophobicContact CG1-CG2 4.31Å; V76-V80 WeakPolarHBondContact O-CG2 3.4Å; V76-V80 PolarHBondContact O-N 3.01Å; Q77-V80 PolarHBondContact O-N 3.37Å; Q77-V80 VanDerWaalsContact O-N 3.16Å; T78-V80 PolarHBondContact O-N 3.41Å; V80-M82 PolarHBondContact O-N 2.98Å; V80-K83 PolarHBondContact O-N 2.72Å; V80-G84 PolarHBondContact O-N 3.29Å |
| 81 | T | 86.6 | Confident | 87.8 | Confident | 75 Ų | 75 | 78.5 Ų | 78.5 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60 | -47 | 177 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | Q77 T78 K83 G84 V85 | Q77-T81 PolarHBondContact NE2-OG1 3.05Å; Q77-T81 PolarHBondContact O-N 3.47Å; Q77-T81 PolarHBondContact O-OG1 2.94Å; Q77-T81 VanDerWaalsContact O-OG1 3.09Å; T78-T81 PolarHBondContact O-N 2.94Å; T81-K83 VanDerWaalsContact C-N 3.34Å; T81-K83 PolarHBondContact O-N 3.36Å; T81-G84 WeakPolarHBondContact O-CA 3.41Å; T81-G84 PolarHBondContact O-N 2.72Å; T81-V85 WeakPolarHBondContact O-CG2 3.43Å; T81-V85 PolarHBondContact O-N 3.47Å |
| 82 | M | 86.8 | Confident | 87.6 | Confident | 127 Ų | 127 | 80.1 Ų | 80.1 | 63% | 0.626 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | -179.8 | -164.1 | 152 | -178 | 0 | 0 | 111.7 | T78 V80 G84 V85 T86 | T78-M82 WeakPolarHBondContact O-CB 3.45Å; T78-M82 PolarHBondContact O-N 3.15Å; V80-M82 PolarHBondContact O-N 2.98Å; M82-G84 VanDerWaalsContact C-N 3.3Å; M82-G84 PolarHBondContact O-N 2.73Å; M82-V85 PolarHBondContact O-N 2.83Å; M82-T86 PolarHBondContact O-N 3.32Å; M82-T86 PolarHBondContact O-OG1 2.85Å |
| 83 | K | 86.1 | Confident | 87.4 | Confident | 132 Ų | 132 | 80.3 Ų | 80.3 | 57% | 0.574 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.2 | -39.5 | 171 | -174.8 | 178.2 | -179.2 | 179.2 | 0 | 112.1 | M1 A79 V80 T81 K87 | M1-K83 HydrophobicContact CE-CD 3.96Å; A79-K83 VanDerWaalsContact O-CB 3.3Å; A79-K83 WeakPolarHBondContact O-CB 3.42Å; A79-K83 PolarHBondContact O-N 2.79Å; V80-K83 PolarHBondContact O-N 2.72Å; T81-K83 VanDerWaalsContact C-N 3.34Å; T81-K83 PolarHBondContact O-N 3.36Å; K83-K87 WeakPolarHBondContact O-CB 3.04Å; K83-K87 PolarHBondContact O-N 3.48Å |
| 84 | G | 86.7 | Confident | 87.2 | Confident | 31 Ų | 31 | 88 Ų | 88 | 32% | 0.32 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V80 T81 M82 K87 N88 | V80-G84 PolarHBondContact O-N 3.29Å; T81-G84 WeakPolarHBondContact O-CA 3.41Å; T81-G84 PolarHBondContact O-N 2.72Å; M82-G84 VanDerWaalsContact C-N 3.3Å; M82-G84 PolarHBondContact O-N 2.73Å; G84-K87 PolarHBondContact O-N 2.82Å; G84-N88 VanDerWaalsContact O-CG 3.3Å; G84-N88 PolarHBondContact O-N 3.29Å |
| 85 | V | 87.8 | Confident | 86.8 | Confident | 76 Ų | 76 | 88.4 Ų | 88.4 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 176 | 175 | 0 | 0 | 0 | 0 | 111.1 | T81 M82 K87 N88 M89 | T81-V85 WeakPolarHBondContact O-CG2 3.43Å; T81-V85 PolarHBondContact O-N 3.47Å; M82-V85 PolarHBondContact O-N 2.83Å; V85-K87 VanDerWaalsContact C-N 3.32Å; V85-K87 PolarHBondContact O-N 3.46Å; V85-N88 PolarHBondContact O-N 2.84Å; V85-M89 HydrophobicContact CG1-CG 4.35Å; V85-M89 HydrophobicContact CG1-SD 4.38Å; V85-M89 WeakPolarHBondContact O-CG 3.44Å; V85-M89 PolarHBondContact O-N 3.37Å |
| 86 | T | 87.4 | Confident | 86.3 | Confident | 89 Ų | 89 | 84.7 Ų | 84.7 | 55% | 0.546 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 176.9 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | M82 M89 G90 | M82-T86 PolarHBondContact O-N 3.32Å; M82-T86 PolarHBondContact O-OG1 2.85Å; T86-M89 PolarHBondContact O-N 3.39Å; T86-G90 PolarHBondContact O-N 3.26Å |
| 87 | K | 89.9 | Confident | 85.8 | Confident | 140 Ų | 140 | 87.6 Ų | 87.6 | 61% | 0.609 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 175.5 | -176.1 | -176.8 | 177.2 | -174 | 0 | 111.4 | K83 G84 V85 G90 Q91 | K83-K87 WeakPolarHBondContact O-CB 3.04Å; K83-K87 PolarHBondContact O-N 3.48Å; G84-K87 PolarHBondContact O-N 2.82Å; V85-K87 VanDerWaalsContact C-N 3.32Å; V85-K87 PolarHBondContact O-N 3.46Å; K87-G90 PolarHBondContact O-N 3.13Å; K87-Q91 PolarHBondContact O-N 3.02Å; K87-Q91 VanDerWaalsContact O-N 3.07Å |
| 88 | N | 88.4 | Confident | 85.4 | Confident | 94 Ų | 94 | 92 Ų | 92 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | 178.6 | -69 | -10.2 | 0 | 0 | 0 | 111.3 | G84 V85 G90 Q91 V92 | G84-N88 VanDerWaalsContact O-CG 3.3Å; G84-N88 PolarHBondContact O-N 3.29Å; V85-N88 PolarHBondContact O-N 2.84Å; N88-G90 VanDerWaalsContact C-N 3.29Å; N88-G90 PolarHBondContact O-N 3.1Å; N88-Q91 WeakPolarHBondContact O-CB 3.41Å; N88-Q91 PolarHBondContact O-N 3.37Å; N88-Q91 VanDerWaalsContact O-N 3.09Å; N88-V92 WeakPolarHBondContact O-CG2 3.49Å; N88-V92 PolarHBondContact O-N 3.06Å |
| 89 | M | 84.9 | Confident | 84.6 | Confident | 124 Ų | 124 | 89.8 Ų | 89.8 | 61% | 0.611 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.8 | -41.3 | 173.4 | -73.9 | -168.6 | 85.2 | 0 | 0 | 111.5 | V85 T86 Q91 V92 T93 | V85-M89 HydrophobicContact CG1-CG 4.35Å; V85-M89 HydrophobicContact CG1-SD 4.38Å; V85-M89 WeakPolarHBondContact O-CG 3.44Å; V85-M89 PolarHBondContact O-N 3.37Å; T86-M89 PolarHBondContact O-N 3.39Å; M89-Q91 VanDerWaalsContact C-N 3.29Å; M89-Q91 PolarHBondContact O-N 2.82Å; M89-V92 PolarHBondContact O-N 3.17Å; M89-T93 WeakPolarHBondContact O-CG2 3.41Å; M89-T93 PolarHBondContact O-N 2.72Å; M89-T93 PolarHBondContact O-OG1 3.25Å; M89-T93 VanDerWaalsContact O-OG1 3.09Å |
| 90 | G | 86.2 | Confident | 83.7 | Confident | 29 Ų | 29 | 91.1 Ų | 91.1 | 30% | 0.299 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -30.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T86 K87 N88 T93 K94 | T86-G90 PolarHBondContact O-N 3.26Å; K87-G90 PolarHBondContact O-N 3.13Å; N88-G90 VanDerWaalsContact C-N 3.29Å; N88-G90 PolarHBondContact O-N 3.1Å; G90-T93 WeakPolarHBondContact CA-OG1 2.99Å; G90-T93 PolarHBondContact O-OG1 3.41Å; G90-K94 WeakPolarHBondContact O-CB 3.13Å; G90-K94 VanDerWaalsContact O-CG 3.28Å; G90-K94 WeakPolarHBondContact O-CG 2.94Å; G90-K94 PolarHBondContact O-N 3.15Å |
| 91 | Q | 88.3 | Confident | 82.9 | Confident | 115 Ų | 115 | 96.7 Ų | 96.7 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74.7 | -41.9 | 172.3 | -72.4 | -179.3 | -7.9 | 0 | 0 | 111.5 | K87 N88 M89 K94 A95 | K87-Q91 PolarHBondContact O-N 3.02Å; K87-Q91 VanDerWaalsContact O-N 3.07Å; N88-Q91 WeakPolarHBondContact O-CB 3.41Å; N88-Q91 PolarHBondContact O-N 3.37Å; N88-Q91 VanDerWaalsContact O-N 3.09Å; M89-Q91 VanDerWaalsContact C-N 3.29Å; M89-Q91 PolarHBondContact O-N 2.82Å; Q91-K94 PolarHBondContact O-N 2.98Å; Q91-A95 WeakPolarHBondContact O-CB 3.21Å; Q91-A95 PolarHBondContact O-N 3.48Å |
| 92 | V | 85.6 | Confident | 81.9 | Confident | 87 Ų | 87 | 97.7 Ų | 97.7 | 53% | 0.527 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.8 | 172 | 0 | 0 | 0 | 0 | 110.9 | N88 M89 A95 L96 | N88-V92 WeakPolarHBondContact O-CG2 3.49Å; N88-V92 PolarHBondContact O-N 3.06Å; M89-V92 PolarHBondContact O-N 3.17Å; V92-A95 PolarHBondContact O-N 2.97Å; V92-L96 HydrophobicContact CG1-CD1 4.06Å; V92-L96 WeakPolarHBondContact O-CB 3.47Å; V92-L96 PolarHBondContact O-N 2.97Å |
| 93 | T | 84.4 | Confident | 80.3 | Confident | 80 Ų | 80 | 94.7 Ų | 94.7 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 177.6 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | M89 G90 A95 L96 D97 | M89-T93 WeakPolarHBondContact O-CG2 3.41Å; M89-T93 PolarHBondContact O-N 2.72Å; M89-T93 PolarHBondContact O-OG1 3.25Å; M89-T93 VanDerWaalsContact O-OG1 3.09Å; G90-T93 WeakPolarHBondContact CA-OG1 2.99Å; G90-T93 PolarHBondContact O-OG1 3.41Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 2.88Å; T93-L96 WeakPolarHBondContact O-CB 3.35Å; T93-L96 PolarHBondContact O-N 2.95Å; T93-D97 VanDerWaalsContact O-CB 3.31Å; T93-D97 WeakPolarHBondContact O-CB 3.41Å; T93-D97 PolarHBondContact O-N 3.49Å |
| 94 | K | 86.2 | Confident | 79 | Confident | 161 Ų | 161 | 94 Ų | 94 | 70% | 0.7 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -38.4 | 172.7 | -77 | 178.2 | -179.4 | -176.5 | 0 | 112.9 | G90 Q91 D97 K98 | G90-K94 WeakPolarHBondContact O-CB 3.13Å; G90-K94 VanDerWaalsContact O-CG 3.28Å; G90-K94 WeakPolarHBondContact O-CG 2.94Å; G90-K94 PolarHBondContact O-N 3.15Å; Q91-K94 PolarHBondContact O-N 2.98Å; K94-D97 PolarHBondContact O-N 2.88Å; K94-K98 WeakPolarHBondContact O-CB 3.4Å; K94-K98 PolarHBondContact O-N 3.23Å |
| 95 | A | 80.5 | Confident | 77.7 | Confident | 63 Ų | 63 | 99.8 Ų | 99.8 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q91 V92 T93 K98 A99 | Q91-A95 WeakPolarHBondContact O-CB 3.21Å; Q91-A95 PolarHBondContact O-N 3.48Å; V92-A95 PolarHBondContact O-N 2.97Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 2.88Å; A95-K98 PolarHBondContact O-N 2.99Å; A95-A99 VanDerWaalsContact O-CB 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 3.31Å |
| 96 | L | 77.8 | Confident | 76.3 | Confident | 85 Ų | 85 | 103.8 Ų | 103.8 | 45% | 0.445 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -44.8 | 172.4 | -103.7 | 150.8 | 0 | 0 | 0 | 111.9 | V92 T93 K98 A99 L100 | V92-L96 HydrophobicContact CG1-CD1 4.06Å; V92-L96 WeakPolarHBondContact O-CB 3.47Å; V92-L96 PolarHBondContact O-N 2.97Å; T93-L96 WeakPolarHBondContact O-CB 3.35Å; T93-L96 PolarHBondContact O-N 2.95Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.35Å; L96-A99 CarbonylContact O-C 3.41Å; L96-A99 WeakPolarHBondContact O-CB 3.31Å; L96-A99 PolarHBondContact O-N 3.32Å; L96-A99 VanDerWaalsContact O-N 3.13Å; L96-L100 WeakPolarHBondContact O-CB 3.34Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 3.13Å |
| 97 | D | 79.8 | Confident | 75 | Confident | 98 Ų | 98 | 105.7 Ų | 105.7 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.1 | -39.2 | -179.9 | -157 | 22.1 | 0 | 0 | 0 | 111.1 | T93 K94 N101 | T93-D97 VanDerWaalsContact O-CB 3.31Å; T93-D97 WeakPolarHBondContact O-CB 3.41Å; T93-D97 PolarHBondContact O-N 3.49Å; K94-D97 PolarHBondContact O-N 2.88Å; D97-N101 WeakPolarHBondContact O-CB 3.32Å; D97-N101 PolarHBondContact O-N 3.31Å; D97-N101 PolarHBondContact O-ND2 3.09Å |
| 98 | K | 80 | Confident | 73.6 | Confident | 165 Ų | 165 | 101 Ų | 101 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.4 | -38.2 | 171.7 | -166.3 | 176 | -177.9 | -178.8 | 0 | 112.3 | K94 A95 L96 S102 | K94-K98 WeakPolarHBondContact O-CB 3.4Å; K94-K98 PolarHBondContact O-N 3.23Å; A95-K98 PolarHBondContact O-N 2.99Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.35Å; K98-S102 WeakPolarHBondContact O-CB 3.5Å; K98-S102 PolarHBondContact O-N 3.48Å; K98-S102 PolarHBondContact O-OG 3.29Å |
| 99 | A | 69.8 | Low | 72.3 | Confident | 39 Ų | 39 | 100 Ų | 100 | 32% | 0.322 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A95 L96 S102 M103 | A95-A99 VanDerWaalsContact O-CB 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 3.31Å; L96-A99 CarbonylContact O-C 3.41Å; L96-A99 WeakPolarHBondContact O-CB 3.31Å; L96-A99 PolarHBondContact O-N 3.32Å; L96-A99 VanDerWaalsContact O-N 3.13Å; A99-S102 WeakPolarHBondContact CA-OG 3.48Å; A99-S102 CarbonylContact O-C 3.57Å; A99-S102 PolarHBondContact O-N 3.43Å; A99-S102 VanDerWaalsContact O-N 3.12Å; A99-S102 PolarHBondContact O-OG 3.42Å; A99-M103 WeakPolarHBondContact O-CB 3.5Å; A99-M103 WeakPolarHBondContact O-CG 3.47Å; A99-M103 PolarHBondContact O-N 3.32Å |
| 100 | L | 67.1 | Low | 71.6 | Confident | 85 Ų | 85 | 96.9 Ų | 96.9 | 45% | 0.445 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 176.1 | -75.6 | 167.7 | 0 | 0 | 0 | 111.7 | L96 S102 M103 V108 | L96-L100 WeakPolarHBondContact O-CB 3.34Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 3.13Å; L100-S102 PolarHBondContact O-N 2.9Å; L100-M103 PolarHBondContact O-N 3.48Å; L100-V108 HydrophobicContact CD2-CG1 4.29Å; L100-V108 HydrophobicContact CD2-CG2 4.1Å |
| 101 | N | 70.6 | Confident | 70.7 | Confident | 136 Ų | 136 | 98.7 Ų | 98.7 | 73% | 0.727 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.1 | -19.8 | 173.9 | -78.6 | -57.1 | 0 | 0 | 0 | 113.5 | D97 | D97-N101 WeakPolarHBondContact O-CB 3.32Å; D97-N101 PolarHBondContact O-N 3.31Å; D97-N101 PolarHBondContact O-ND2 3.09Å |
| 102 | S | 65.1 | Low | 69.9 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -1.2 | 176 | 71.2 | 0 | 0 | 0 | 0 | 114 | K98 A99 L100 | K98-S102 WeakPolarHBondContact O-CB 3.5Å; K98-S102 PolarHBondContact O-N 3.48Å; K98-S102 PolarHBondContact O-OG 3.29Å; A99-S102 WeakPolarHBondContact CA-OG 3.48Å; A99-S102 CarbonylContact O-C 3.57Å; A99-S102 PolarHBondContact O-N 3.43Å; A99-S102 VanDerWaalsContact O-N 3.12Å; A99-S102 PolarHBondContact O-OG 3.42Å; L100-S102 PolarHBondContact O-N 2.9Å |
| 103 | M | 53.5 | Low | 69.4 | Low | 65 Ų | 65 | 99.5 Ų | 99.5 | 32% | 0.32 | 54% | 0.542 | S | S | . | . | trans | -104.2 | 116.5 | -176.1 | -95.1 | -168.9 | 175 | 0 | 0 | 112.4 | A99 L100 K107 V108 V111 | A99-M103 WeakPolarHBondContact O-CB 3.5Å; A99-M103 WeakPolarHBondContact O-CG 3.47Å; A99-M103 PolarHBondContact O-N 3.32Å; L100-M103 PolarHBondContact O-N 3.48Å; M103-K107 HydrophobicContact CB-CB 4.46Å; M103-K107 HydrophobicContact CE-CB 3.6Å; M103-K107 HydrophobicContact CE-CD 3.98Å; M103-K107 HydrophobicContact CE-CG 4.33Å; M103-K107 HydrophobicContact CG-CB 3.82Å; M103-K107 HydrophobicContact CG-CD 4.24Å; M103-K107 HydrophobicContact SD-CB 3.44Å; M103-K107 WeakPolarHBondContact SD-CB 3.43Å; M103-V108 HydrophobicContact CB-CG2 4.03Å; M103-V111 HydrophobicContact CE-CG2 4.02Å; M103-V111 HydrophobicContact SD-CG2 4.22Å | ||
| 104 | D | 59.3 | Low | 68.9 | Low | 116 Ų | 116 | 102.4 Ų | 102.4 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | trans | -44.7 | 134.4 | 153.3 | -161.9 | -14.2 | 0 | 0 | 0 | 111.4 | Q106 K107 | D104-Q106 PolarHBondContact O-N 2.93Å; D104-K107 PolarHBondContact O-N 3.27Å | ||
| 105 | L | 58.6 | Low | 68.2 | Low | 153 Ų | 153 | 100.8 Ų | 100.8 | 80% | 0.801 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -51.1 | -26.8 | -170.5 | -84.7 | 147.9 | 0 | 0 | 0 | 114.1 | V108 | L105-V108 PolarHBondContact O-N 2.96Å |
| 106 | Q | 59.7 | Low | 67.9 | Low | 160 Ų | 160 | 104.1 Ų | 104.1 | 75% | 0.748 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.1 | -32.1 | 177.2 | -73.4 | -171.3 | -53.9 | 0 | 0 | 114.3 | D104 | D104-Q106 PolarHBondContact O-N 2.93Å |
| 107 | K | 60.1 | Low | 67.9 | Low | 130 Ų | 130 | 102.5 Ų | 102.5 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -80 | -24.4 | 179.3 | -71.7 | 179.9 | 178.9 | 174.1 | 0 | 112.4 | M103 D104 A110 V111 | M103-K107 HydrophobicContact CB-CB 4.46Å; M103-K107 HydrophobicContact CE-CB 3.6Å; M103-K107 HydrophobicContact CE-CD 3.98Å; M103-K107 HydrophobicContact CE-CG 4.33Å; M103-K107 HydrophobicContact CG-CB 3.82Å; M103-K107 HydrophobicContact CG-CD 4.24Å; M103-K107 HydrophobicContact SD-CB 3.44Å; M103-K107 WeakPolarHBondContact SD-CB 3.43Å; D104-K107 PolarHBondContact O-N 3.27Å; K107-A110 PolarHBondContact O-N 3.32Å; K107-V111 VanDerWaalsContact O-CG2 3.32Å; K107-V111 WeakPolarHBondContact O-CG2 3.49Å; K107-V111 PolarHBondContact O-N 3.16Å |
| 108 | V | 59.1 | Low | 67.1 | Low | 42 Ų | 42 | 103.9 Ų | 103.9 | 26% | 0.255 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 175 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | L100 M103 L105 V111 M112 | L100-V108 HydrophobicContact CD2-CG1 4.29Å; L100-V108 HydrophobicContact CD2-CG2 4.1Å; M103-V108 HydrophobicContact CB-CG2 4.03Å; L105-V108 PolarHBondContact O-N 2.96Å; V108-V111 PolarHBondContact O-N 3.12Å; V108-M112 PolarHBondContact O-N 3.32Å |
| 109 | S | 62.2 | Low | 66.7 | Low | 73 Ų | 73 | 98.8 Ų | 98.8 | 51% | 0.51 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 172.6 | -169 | 0 | 0 | 0 | 0 | 111.7 | V111 M112 D113 | S109-V111 VanDerWaalsContact C-N 3.28Å; S109-V111 PolarHBondContact O-N 2.76Å; S109-M112 PolarHBondContact O-N 3.38Å; S109-D113 PolarHBondContact O-N 2.96Å |
| 110 | A | 70 | Confident | 67 | Low | 58 Ų | 58 | 103.3 Ų | 103.3 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.6 | -28.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K107 K114 | K107-A110 PolarHBondContact O-N 3.32Å; A110-K114 WeakPolarHBondContact O-CB 3Å; A110-K114 PolarHBondContact O-N 2.9Å |
| 111 | V | 67.4 | Low | 67.3 | Low | 67 Ų | 67 | 103.3 Ų | 103.3 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -76.4 | -34.5 | 174.2 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | M103 K107 V108 S109 K114 F115 | M103-V111 HydrophobicContact CE-CG2 4.02Å; M103-V111 HydrophobicContact SD-CG2 4.22Å; K107-V111 VanDerWaalsContact O-CG2 3.32Å; K107-V111 WeakPolarHBondContact O-CG2 3.49Å; K107-V111 PolarHBondContact O-N 3.16Å; V108-V111 PolarHBondContact O-N 3.12Å; S109-V111 VanDerWaalsContact C-N 3.28Å; S109-V111 PolarHBondContact O-N 2.76Å; V111-K114 PolarHBondContact O-N 2.87Å; V111-F115 VanDerWaalsContact O-CB 3.32Å; V111-F115 WeakPolarHBondContact O-CB 3.42Å; V111-F115 PolarHBondContact O-N 2.75Å |
| 112 | M | 70.9 | Confident | 67.3 | Low | 117 Ų | 117 | 102 Ų | 102 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67 | -43.2 | 173.9 | -81.3 | -62.8 | 175.3 | 0 | 0 | 112.3 | V108 S109 K114 F115 E116 | V108-M112 PolarHBondContact O-N 3.32Å; S109-M112 PolarHBondContact O-N 3.38Å; M112-K114 PolarHBondContact O-N 2.97Å; M112-F115 PolarHBondContact O-N 2.88Å; M112-F115 VanDerWaalsContact O-N 3.16Å; M112-E116 PolarHBondContact O-N 2.91Å |
| 113 | D | 75.9 | Confident | 67.4 | Low | 101 Ų | 101 | 102.7 Ų | 102.7 | 54% | 0.54 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.9 | -37 | 173.7 | -65 | -14.4 | 0 | 0 | 0 | 111.3 | S109 S117 | S109-D113 PolarHBondContact O-N 2.96Å; D113-S117 WeakPolarHBondContact O-CB 3.16Å; D113-S117 PolarHBondContact O-N 2.78Å |
| 114 | K | 73.1 | Confident | 68.4 | Low | 141 Ų | 141 | 103.6 Ų | 103.6 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.2 | -30.3 | 177.8 | -142.6 | 173.4 | -168.9 | 178.3 | 0 | 112.9 | A110 V111 M112 Q118 | A110-K114 WeakPolarHBondContact O-CB 3Å; A110-K114 PolarHBondContact O-N 2.9Å; V111-K114 PolarHBondContact O-N 2.87Å; M112-K114 PolarHBondContact O-N 2.97Å; K114-Q118 WeakPolarHBondContact O-CB 3.13Å; K114-Q118 WeakPolarHBondContact O-CG 3.3Å; K114-Q118 PolarHBondContact O-N 2.7Å |
| 115 | F | 71.8 | Confident | 68.5 | Low | 128 Ų | 128 | 104.3 Ų | 104.3 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.1 | -43.8 | 173.7 | -179.7 | -98 | 0 | 0 | 0 | 110.7 | V111 M112 S117 Q118 V119 | V111-F115 VanDerWaalsContact O-CB 3.32Å; V111-F115 WeakPolarHBondContact O-CB 3.42Å; V111-F115 PolarHBondContact O-N 2.75Å; M112-F115 PolarHBondContact O-N 2.88Å; M112-F115 VanDerWaalsContact O-N 3.16Å; F115-S117 VanDerWaalsContact C-N 3.34Å; F115-S117 PolarHBondContact O-N 2.9Å; F115-Q118 PolarHBondContact O-N 3.5Å; F115-Q118 VanDerWaalsContact O-N 3.12Å; F115-V119 HydrophobicContact CD1-CG2 4.02Å; F115-V119 HydrophobicContact CD2-CG2 4.36Å; F115-V119 HydrophobicContact CE1-CG2 3.63Å; F115-V119 HydrophobicContact CE2-CG2 4Å; F115-V119 HydrophobicContact CG-CG2 4.37Å; F115-V119 HydrophobicContact CZ-CG2 3.62Å; F115-V119 WeakPolarHBondContact O-CB 3.33Å; F115-V119 WeakPolarHBondContact O-CG2 3.43Å; F115-V119 PolarHBondContact O-N 3.46Å |
| 116 | E | 74.8 | Confident | 68.8 | Low | 132 Ų | 132 | 100.4 Ų | 100.4 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.6 | -46.3 | 174.2 | -166.8 | 170 | -159.2 | 0 | 0 | 110.6 | M112 Q118 V119 Q120 | M112-E116 PolarHBondContact O-N 2.91Å; E116-Q118 PolarHBondContact O-N 2.87Å; E116-V119 PolarHBondContact O-N 3.26Å; E116-Q120 VanDerWaalsContact O-CB 3.29Å; E116-Q120 WeakPolarHBondContact O-CB 3.34Å; E116-Q120 PolarHBondContact O-N 3.36Å |
| 117 | S | 77 | Confident | 69.1 | Low | 52 Ų | 52 | 95.6 Ų | 95.6 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 171.2 | 162.9 | 0 | 0 | 0 | 0 | 113.8 | D113 F115 N121 | D113-S117 WeakPolarHBondContact O-CB 3.16Å; D113-S117 PolarHBondContact O-N 2.78Å; F115-S117 VanDerWaalsContact C-N 3.34Å; F115-S117 PolarHBondContact O-N 2.9Å; S117-N121 WeakPolarHBondContact O-CB 3.18Å; S117-N121 PolarHBondContact O-N 2.85Å; S117-N121 PolarHBondContact O-ND2 2.91Å |
| 118 | Q | 63.7 | Low | 69.4 | Low | 127 Ų | 127 | 93 Ų | 93 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -75.4 | -35.9 | -179.5 | -80.5 | -172.9 | -2.8 | 0 | 0 | 113 | K114 F115 E116 N121 L122 | K114-Q118 WeakPolarHBondContact O-CB 3.13Å; K114-Q118 WeakPolarHBondContact O-CG 3.3Å; K114-Q118 PolarHBondContact O-N 2.7Å; F115-Q118 PolarHBondContact O-N 3.5Å; F115-Q118 VanDerWaalsContact O-N 3.12Å; E116-Q118 PolarHBondContact O-N 2.87Å; Q118-N121 PolarHBondContact O-N 3.33Å; Q118-L122 VanDerWaalsContact O-CB 3.31Å; Q118-L122 WeakPolarHBondContact O-CB 3.28Å; Q118-L122 PolarHBondContact O-N 3.32Å |
| 119 | V | 71.4 | Confident | 69.6 | Low | 57 Ų | 57 | 97 Ų | 97 | 35% | 0.345 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | F115 E116 N121 L122 D123 | F115-V119 HydrophobicContact CD1-CG2 4.02Å; F115-V119 HydrophobicContact CD2-CG2 4.36Å; F115-V119 HydrophobicContact CE1-CG2 3.63Å; F115-V119 HydrophobicContact CE2-CG2 4Å; F115-V119 HydrophobicContact CG-CG2 4.37Å; F115-V119 HydrophobicContact CZ-CG2 3.62Å; F115-V119 WeakPolarHBondContact O-CB 3.33Å; F115-V119 WeakPolarHBondContact O-CG2 3.43Å; F115-V119 PolarHBondContact O-N 3.46Å; E116-V119 PolarHBondContact O-N 3.26Å; V119-N121 VanDerWaalsContact C-N 3.35Å; V119-N121 PolarHBondContact O-N 2.9Å; V119-L122 WeakPolarHBondContact O-CB 3.36Å; V119-L122 PolarHBondContact O-N 2.92Å; V119-L122 VanDerWaalsContact O-N 3.15Å; V119-D123 PolarHBondContact O-N 3.47Å |
| 120 | Q | 75.9 | Confident | 69.9 | Low | 135 Ų | 135 | 100 Ų | 100 | 63% | 0.631 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -40.1 | 175.6 | -147.1 | 172.6 | 19.8 | 0 | 0 | 111.5 | E116 D123 V124 | E116-Q120 VanDerWaalsContact O-CB 3.29Å; E116-Q120 WeakPolarHBondContact O-CB 3.34Å; E116-Q120 PolarHBondContact O-N 3.36Å; Q120-D123 PolarHBondContact O-N 3.08Å; Q120-V124 VanDerWaalsContact O-CG2 3.28Å; Q120-V124 WeakPolarHBondContact O-CG2 3.2Å; Q120-V124 PolarHBondContact O-N 3.48Å |
| 121 | N | 72.8 | Confident | 69.8 | Low | 85 Ų | 85 | 102 Ų | 102 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.7 | -32 | 172.5 | -80.6 | -46.8 | 0 | 0 | 0 | 113 | S117 Q118 V119 H125 | S117-N121 WeakPolarHBondContact O-CB 3.18Å; S117-N121 PolarHBondContact O-N 2.85Å; S117-N121 PolarHBondContact O-ND2 2.91Å; Q118-N121 PolarHBondContact O-N 3.33Å; V119-N121 VanDerWaalsContact C-N 3.35Å; V119-N121 PolarHBondContact O-N 2.9Å; N121-H125 VanDerWaalsContact O-CB 3.27Å; N121-H125 WeakPolarHBondContact O-CB 3.48Å; N121-H125 PolarHBondContact O-CD2 3.45Å; N121-H125 VanDerWaalsContact O-CD2 3.27Å; N121-H125 PolarHBondContact O-N 2.9Å |
| 122 | L | 71.9 | Confident | 69.6 | Low | 109 Ų | 109 | 102.2 Ų | 102.2 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68 | -41.5 | 174.7 | -166.1 | 86 | 0 | 0 | 0 | 110.7 | Q118 V119 H125 T126 | Q118-L122 VanDerWaalsContact O-CB 3.31Å; Q118-L122 WeakPolarHBondContact O-CB 3.28Å; Q118-L122 PolarHBondContact O-N 3.32Å; V119-L122 WeakPolarHBondContact O-CB 3.36Å; V119-L122 PolarHBondContact O-N 2.92Å; V119-L122 VanDerWaalsContact O-N 3.15Å; L122-H125 PolarHBondContact O-N 2.71Å; L122-T126 VanDerWaalsContact O-CB 3.25Å; L122-T126 WeakPolarHBondContact O-CB 3.29Å; L122-T126 PolarHBondContact O-N 2.91Å; L122-T126 PolarHBondContact O-OG1 3.4Å |
| 123 | D | 66.4 | Low | 68.9 | Low | 109 Ų | 109 | 101.4 Ų | 101.4 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 174.1 | -87.9 | -11.8 | 0 | 0 | 0 | 111.3 | V119 Q120 T126 S127 | V119-D123 PolarHBondContact O-N 3.47Å; Q120-D123 PolarHBondContact O-N 3.08Å; D123-T126 PolarHBondContact O-N 3.22Å; D123-S127 VanDerWaalsContact O-CB 3.28Å; D123-S127 WeakPolarHBondContact O-CB 3.45Å; D123-S127 PolarHBondContact O-N 3.05Å |
| 124 | V | 74.6 | Confident | 68.1 | Low | 83 Ų | 83 | 100 Ų | 100 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 174.8 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | Q120 S127 V128 | Q120-V124 VanDerWaalsContact O-CG2 3.28Å; Q120-V124 WeakPolarHBondContact O-CG2 3.2Å; Q120-V124 PolarHBondContact O-N 3.48Å; V124-S127 PolarHBondContact O-N 3.27Å; V124-V128 HydrophobicContact CG1-CG2 4.36Å; V124-V128 WeakPolarHBondContact O-CB 3.05Å; V124-V128 WeakPolarHBondContact O-CG2 3.23Å; V124-V128 PolarHBondContact O-N 3.5Å |
| 125 | H | 61 | Low | 67.5 | Low | 132 Ų | 132 | 97.2 Ų | 97.2 | 61% | 0.611 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.2 | -35 | 176.1 | -90.6 | -66.8 | 0 | 0 | 0 | 112.7 | N121 L122 M129 | N121-H125 VanDerWaalsContact O-CB 3.27Å; N121-H125 WeakPolarHBondContact O-CB 3.48Å; N121-H125 PolarHBondContact O-CD2 3.45Å; N121-H125 VanDerWaalsContact O-CD2 3.27Å; N121-H125 PolarHBondContact O-N 2.9Å; L122-H125 PolarHBondContact O-N 2.71Å; H125-M129 WeakPolarHBondContact O-CA 3.37Å; H125-M129 WeakPolarHBondContact O-CB 3.5Å; H125-M129 PolarHBondContact O-N 3.38Å |
| 126 | T | 65.1 | Low | 66.8 | Low | 70 Ų | 70 | 93.8 Ų | 93.8 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.7 | -44 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | L122 D123 M129 E130 | L122-T126 VanDerWaalsContact O-CB 3.25Å; L122-T126 WeakPolarHBondContact O-CB 3.29Å; L122-T126 PolarHBondContact O-N 2.91Å; L122-T126 PolarHBondContact O-OG1 3.4Å; D123-T126 PolarHBondContact O-N 3.22Å; T126-M129 CarbonylContact O-C 3.6Å; T126-M129 PolarHBondContact O-N 2.92Å; T126-E130 WeakPolarHBondContact O-CB 3.32Å; T126-E130 PolarHBondContact O-N 3.19Å |
| 127 | S | 65.1 | Low | 65.8 | Low | 59 Ų | 59 | 92.1 Ų | 92.1 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 172.9 | 167.9 | 0 | 0 | 0 | 0 | 112.1 | D123 V124 E130 D131 | D123-S127 VanDerWaalsContact O-CB 3.28Å; D123-S127 WeakPolarHBondContact O-CB 3.45Å; D123-S127 PolarHBondContact O-N 3.05Å; V124-S127 PolarHBondContact O-N 3.27Å; S127-E130 PolarHBondContact O-N 3.17Å; S127-D131 WeakPolarHBondContact O-CB 3.49Å; S127-D131 PolarHBondContact O-N 3.28Å |
| 128 | V | 66.8 | Low | 64.8 | Low | 76 Ų | 76 | 93.7 Ų | 93.7 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.5 | -35.2 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | V124 S132 | V124-V128 HydrophobicContact CG1-CG2 4.36Å; V124-V128 WeakPolarHBondContact O-CB 3.05Å; V124-V128 WeakPolarHBondContact O-CG2 3.23Å; V124-V128 PolarHBondContact O-N 3.5Å; V128-S132 WeakPolarHBondContact O-CB 3.35Å; V128-S132 PolarHBondContact O-N 2.97Å; V128-S132 PolarHBondContact O-OG 3.01Å |
| 129 | M | 64.7 | Low | 64.4 | Low | 126 Ų | 126 | 95 Ų | 95 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.2 | -39 | 174.3 | -177 | 172.8 | 177.4 | 0 | 0 | 111.1 | H125 T126 S132 M133 | H125-M129 WeakPolarHBondContact O-CA 3.37Å; H125-M129 WeakPolarHBondContact O-CB 3.5Å; H125-M129 PolarHBondContact O-N 3.38Å; T126-M129 CarbonylContact O-C 3.6Å; T126-M129 PolarHBondContact O-N 2.92Å; M129-S132 PolarHBondContact O-N 3.1Å; M129-M133 HydrophobicContact CE-SD 4.47Å; M129-M133 WeakPolarHBondContact O-CA 3.34Å; M129-M133 WeakPolarHBondContact O-CB 3.45Å; M129-M133 PolarHBondContact O-N 3.35Å |
| 130 | E | 67.9 | Low | 63.4 | Low | 135 Ų | 135 | 97.5 Ų | 97.5 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.4 | -39.7 | 176.1 | -165.4 | 164.7 | -153.5 | 0 | 0 | 110.6 | T126 S127 S134 | T126-E130 WeakPolarHBondContact O-CB 3.32Å; T126-E130 PolarHBondContact O-N 3.19Å; S127-E130 PolarHBondContact O-N 3.17Å; E130-S134 WeakPolarHBondContact O-CA 3.38Å; E130-S134 WeakPolarHBondContact O-CB 3.49Å; E130-S134 PolarHBondContact O-N 3.48Å |
| 131 | D | 68.3 | Low | 62.3 | Low | 100 Ų | 100 | 94.1 Ų | 94.1 | 54% | 0.535 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 172.7 | -77.1 | -19.7 | 0 | 0 | 0 | 112.5 | S127 S135 | S127-D131 WeakPolarHBondContact O-CB 3.49Å; S127-D131 PolarHBondContact O-N 3.28Å; D131-S135 WeakPolarHBondContact O-CB 3.46Å; D131-S135 PolarHBondContact O-N 2.96Å; D131-S135 PolarHBondContact O-OG 3.34Å |
| 132 | S | 61.8 | Low | 61.7 | Low | 72 Ų | 72 | 92.3 Ų | 92.3 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72 | -37.5 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | V128 M129 A136 | V128-S132 WeakPolarHBondContact O-CB 3.35Å; V128-S132 PolarHBondContact O-N 2.97Å; V128-S132 PolarHBondContact O-OG 3.01Å; M129-S132 PolarHBondContact O-N 3.1Å; S132-A136 WeakPolarHBondContact O-CB 3.34Å; S132-A136 PolarHBondContact O-N 3.24Å |
| 133 | M | 56.7 | Low | 61.1 | Low | 101 Ų | 101 | 94 Ų | 94 | 50% | 0.498 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -77 | -35.1 | 177.8 | -172.1 | 163.4 | 157 | 0 | 0 | 110.9 | M129 A136 M137 | M129-M133 HydrophobicContact CE-SD 4.47Å; M129-M133 WeakPolarHBondContact O-CA 3.34Å; M129-M133 WeakPolarHBondContact O-CB 3.45Å; M129-M133 PolarHBondContact O-N 3.35Å; M133-A136 PolarHBondContact O-N 2.96Å; M133-M137 HydrophobicContact CG-CG 4.18Å; M133-M137 WeakPolarHBondContact O-CB 3.39Å; M133-M137 WeakPolarHBondContact O-CG 3.42Å; M133-M137 PolarHBondContact O-N 2.85Å |
| 134 | S | 59.4 | Low | 61 | Low | 70 Ų | 70 | 95.9 Ų | 95.9 | 49% | 0.49 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.5 | -51.8 | 168.1 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | E130 A136 M137 T138 | E130-S134 WeakPolarHBondContact O-CA 3.38Å; E130-S134 WeakPolarHBondContact O-CB 3.49Å; E130-S134 PolarHBondContact O-N 3.48Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.48Å; S134-M137 PolarHBondContact O-N 2.83Å; S134-M137 VanDerWaalsContact O-N 3.12Å; S134-T138 PolarHBondContact O-N 3.23Å; S134-T138 PolarHBondContact O-OG1 3.49Å |
| 135 | S | 61 | Low | 60.2 | Low | 83 Ų | 83 | 97.8 Ų | 97.8 | 58% | 0.58 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.5 | -36.9 | 177.4 | -59.7 | 0 | 0 | 0 | 0 | 113.5 | D131 | D131-S135 WeakPolarHBondContact O-CB 3.46Å; D131-S135 PolarHBondContact O-N 2.96Å; D131-S135 PolarHBondContact O-OG 3.34Å |
| 136 | A | 55.4 | Low | 60.5 | Low | 56 Ų | 56 | 94.3 Ų | 94.3 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -76 | -33.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S132 M133 S134 L139 T140 | S132-A136 WeakPolarHBondContact O-CB 3.34Å; S132-A136 PolarHBondContact O-N 3.24Å; M133-A136 PolarHBondContact O-N 2.96Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.48Å; A136-L139 PolarHBondContact O-N 3.19Å; A136-T140 PolarHBondContact O-N 3.29Å; A136-T140 PolarHBondContact O-OG1 3.41Å |
| 137 | M | 54.8 | Low | 60.7 | Low | 98 Ų | 98 | 95.1 Ų | 95.1 | 48% | 0.483 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.7 | -33.7 | 175.6 | -74.6 | -99.1 | 125.6 | 0 | 0 | 111.5 | M133 S134 L139 T140 T141 | M133-M137 HydrophobicContact CG-CG 4.18Å; M133-M137 WeakPolarHBondContact O-CB 3.39Å; M133-M137 WeakPolarHBondContact O-CG 3.42Å; M133-M137 PolarHBondContact O-N 2.85Å; S134-M137 PolarHBondContact O-N 2.83Å; S134-M137 VanDerWaalsContact O-N 3.12Å; M137-L139 PolarHBondContact O-N 3.42Å; M137-T140 PolarHBondContact O-N 3.44Å; M137-T141 PolarHBondContact O-N 3.15Å; M137-T141 PolarHBondContact O-OG1 3.38Å |
| 138 | T | 55 | Low | 61.1 | Low | 84 Ų | 84 | 97.4 Ų | 97.4 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.1 | -32.2 | 174.6 | -33.2 | 0 | 0 | 0 | 0 | 112.1 | S134 | S134-T138 PolarHBondContact O-N 3.23Å; S134-T138 PolarHBondContact O-OG1 3.49Å |
| 139 | L | 56 | Low | 61.3 | Low | 155 Ų | 155 | 98.3 Ų | 98.3 | 81% | 0.812 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -81.4 | -26.8 | 179.2 | -161.8 | 72.1 | 0 | 0 | 0 | 113.1 | A136 M137 | A136-L139 PolarHBondContact O-N 3.19Å; M137-L139 PolarHBondContact O-N 3.42Å |
| 140 | T | 50.7 | Low | 61.8 | Low | 109 Ų | 109 | 97.3 Ų | 97.3 | 67% | 0.669 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -101.8 | -17.6 | -174.2 | -28.5 | 0 | 0 | 0 | 0 | 112.9 | A136 M137 | A136-T140 PolarHBondContact O-N 3.29Å; A136-T140 PolarHBondContact O-OG1 3.41Å; M137-T140 PolarHBondContact O-N 3.44Å |
| 141 | T | 52.6 | Low | 62 | Low | 65 Ų | 65 | 96.6 Ų | 96.6 | 40% | 0.399 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -139.4 | 83.8 | 178.4 | -8.2 | 0 | 0 | 0 | 0 | 107.4 | M137 Q143 V146 | M137-T141 PolarHBondContact O-N 3.15Å; M137-T141 PolarHBondContact O-OG1 3.38Å; T141-Q143 PolarHBondContact O-N 3.35Å; T141-V146 HydrophobicContact CG2-CG2 4.04Å |
| 142 | P | 61 | Low | 62.1 | Low | 46 Ų | 46 | 97.1 Ų | 97.1 | 30% | 0.299 | 53% | 0.532 | S | S | . | . | trans | -58 | 135.2 | 176.6 | -21.9 | 33.2 | 0 | 0 | 0 | 109.7 | E144 Q145 V146 | P142-E144 PolarHBondContact O-N 3.26Å; P142-Q145 HydrophobicContact CB-CG 4.26Å; P142-Q145 HydrophobicContact CG-CG 4.31Å; P142-Q145 PolarHBondContact O-N 2.91Å; P142-V146 PolarHBondContact O-N 2.85Å | ||
| 143 | Q | 58.1 | Low | 62.4 | Low | 144 Ų | 144 | 98.3 Ų | 98.3 | 67% | 0.673 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.7 | -34.5 | -177.8 | -162.7 | 163.4 | -15.3 | 0 | 0 | 111.8 | T141 Q145 V146 D147 | T141-Q143 PolarHBondContact O-N 3.35Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-Q145 PolarHBondContact O-N 3.4Å; Q143-V146 PolarHBondContact O-N 3.36Å; Q143-V146 VanDerWaalsContact O-N 3.15Å; Q143-D147 PolarHBondContact O-N 3.27Å |
| 144 | E | 64.1 | Low | 62.7 | Low | 150 Ų | 150 | 94.9 Ų | 94.9 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -54.3 | -43.3 | 170.2 | -109.7 | -170.5 | 165.5 | 0 | 0 | 113.4 | P142 V146 D147 D148 | P142-E144 PolarHBondContact O-N 3.26Å; E144-V146 VanDerWaalsContact C-N 3.28Å; E144-V146 PolarHBondContact O-N 2.86Å; E144-D147 PolarHBondContact O-N 3.19Å; E144-D148 WeakPolarHBondContact O-CB 3.45Å; E144-D148 PolarHBondContact O-N 3.29Å |
| 145 | Q | 59.6 | Low | 63.2 | Low | 123 Ų | 123 | 98 Ų | 98 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.8 | -25.4 | -178.3 | -67.6 | 179.9 | 9.5 | 0 | 0 | 112.3 | P142 Q143 L149 | P142-Q145 HydrophobicContact CB-CG 4.26Å; P142-Q145 HydrophobicContact CG-CG 4.31Å; P142-Q145 PolarHBondContact O-N 2.91Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-Q145 PolarHBondContact O-N 3.4Å; Q145-L149 VanDerWaalsContact O-CB 3.3Å; Q145-L149 WeakPolarHBondContact O-CB 3.48Å; Q145-L149 PolarHBondContact O-N 3.2Å |
| 146 | V | 67.2 | Low | 63 | Low | 59 Ų | 59 | 101.7 Ų | 101.7 | 36% | 0.358 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.9 | -42.1 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | T141 P142 Q143 E144 L149 I150 | T141-V146 HydrophobicContact CG2-CG2 4.04Å; P142-V146 PolarHBondContact O-N 2.85Å; Q143-V146 PolarHBondContact O-N 3.36Å; Q143-V146 VanDerWaalsContact O-N 3.15Å; E144-V146 VanDerWaalsContact C-N 3.28Å; E144-V146 PolarHBondContact O-N 2.86Å; V146-L149 PolarHBondContact O-N 3.01Å; V146-I150 HydrophobicContact CG1-CD1 4.05Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.49Å; V146-I150 PolarHBondContact O-N 3.22Å |
| 147 | D | 68.4 | Low | 63 | Low | 86 Ų | 86 | 101.6 Ų | 101.6 | 46% | 0.46 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 177.5 | -68.8 | -23.5 | 0 | 0 | 0 | 111.5 | Q143 E144 L149 I150 H151 | Q143-D147 PolarHBondContact O-N 3.27Å; E144-D147 PolarHBondContact O-N 3.19Å; D147-L149 VanDerWaalsContact C-N 3.35Å; D147-L149 PolarHBondContact O-N 2.91Å; D147-I150 PolarHBondContact O-N 3.46Å; D147-H151 WeakPolarHBondContact O-CB 3.33Å; D147-H151 PolarHBondContact O-N 2.86Å |
| 148 | D | 74.4 | Confident | 62.8 | Low | 108 Ų | 108 | 99.8 Ų | 99.8 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 172.9 | -79.6 | -14.7 | 0 | 0 | 0 | 111.8 | E144 H151 Q152 | E144-D148 WeakPolarHBondContact O-CB 3.45Å; E144-D148 PolarHBondContact O-N 3.29Å; D148-H151 PolarHBondContact O-N 3.05Å; D148-Q152 VanDerWaalsContact O-CB 3.28Å; D148-Q152 WeakPolarHBondContact O-CB 3.44Å; D148-Q152 PolarHBondContact O-N 3.11Å |
| 149 | L | 71 | Confident | 62.8 | Low | 95 Ų | 95 | 101.9 Ų | 101.9 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.5 | -37.7 | 177.3 | -176.3 | 65.8 | 0 | 0 | 0 | 111.5 | Q145 V146 D147 I153 | Q145-L149 VanDerWaalsContact O-CB 3.3Å; Q145-L149 WeakPolarHBondContact O-CB 3.48Å; Q145-L149 PolarHBondContact O-N 3.2Å; V146-L149 PolarHBondContact O-N 3.01Å; D147-L149 VanDerWaalsContact C-N 3.35Å; D147-L149 PolarHBondContact O-N 2.91Å; L149-I153 HydrophobicContact CD1-CD1 3.95Å; L149-I153 HydrophobicContact CD1-CG1 4.29Å; L149-I153 HydrophobicContact CD2-CD1 4.47Å; L149-I153 HydrophobicContact CG-CD1 3.81Å; L149-I153 HydrophobicContact CG-CG1 4.47Å; L149-I153 VanDerWaalsContact O-CB 3.31Å; L149-I153 WeakPolarHBondContact O-CB 3.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 3.36Å |
| 150 | I | 73.8 | Confident | 62.6 | Low | 104 Ų | 104 | 101.1 Ų | 101.1 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 174.1 | -71.7 | 169.1 | 0 | 0 | 0 | 110.4 | V146 D147 I153 A154 | V146-I150 HydrophobicContact CG1-CD1 4.05Å; V146-I150 VanDerWaalsContact O-CG1 3.29Å; V146-I150 WeakPolarHBondContact O-CG1 3.49Å; V146-I150 PolarHBondContact O-N 3.22Å; D147-I150 PolarHBondContact O-N 3.46Å; I150-I153 PolarHBondContact O-N 3.3Å; I150-A154 WeakPolarHBondContact O-CB 3.39Å; I150-A154 PolarHBondContact O-N 3.35Å |
| 151 | H | 72.6 | Confident | 62.5 | Low | 121 Ų | 121 | 100.9 Ų | 100.9 | 56% | 0.56 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 176.7 | -141.8 | -75.3 | 0 | 0 | 0 | 111.3 | D147 D148 I153 A154 E155 | D147-H151 WeakPolarHBondContact O-CB 3.33Å; D147-H151 PolarHBondContact O-N 2.86Å; D148-H151 PolarHBondContact O-N 3.05Å; H151-I153 PolarHBondContact O-N 2.95Å; H151-A154 PolarHBondContact O-N 3.35Å; H151-E155 IonicContact CE1-OE1 3.36Å; H151-E155 PolarHBondContact CE1-OE1 3.13Å; H151-E155 IonicContact ND1-OE1 2.86Å; H151-E155 PolarHBondContact ND1-OE1 3.32Å; H151-E155 WeakPolarHBondContact O-CB 3.4Å; H151-E155 WeakPolarHBondContact O-CG 3.48Å; H151-E155 PolarHBondContact O-N 3.47Å |
| 152 | Q | 69.7 | Low | 62.3 | Low | 111 Ų | 111 | 104.9 Ų | 104.9 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66 | -39.1 | 178.6 | -168.6 | 174.6 | 8 | 0 | 0 | 112.1 | D148 E156 | D148-Q152 VanDerWaalsContact O-CB 3.28Å; D148-Q152 WeakPolarHBondContact O-CB 3.44Å; D148-Q152 PolarHBondContact O-N 3.11Å; Q152-E156 WeakPolarHBondContact O-CB 3.33Å; Q152-E156 WeakPolarHBondContact O-CG 3.45Å; Q152-E156 PolarHBondContact O-N 3.09Å |
| 153 | I | 68.7 | Low | 61.7 | Low | 97 Ų | 97 | 106.2 Ų | 106.2 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72.9 | -33.7 | 175.5 | -68.8 | 171.3 | 0 | 0 | 0 | 111.5 | L149 I150 H151 G157 | L149-I153 HydrophobicContact CD1-CD1 3.95Å; L149-I153 HydrophobicContact CD1-CG1 4.29Å; L149-I153 HydrophobicContact CD2-CD1 4.47Å; L149-I153 HydrophobicContact CG-CD1 3.81Å; L149-I153 HydrophobicContact CG-CG1 4.47Å; L149-I153 VanDerWaalsContact O-CB 3.31Å; L149-I153 WeakPolarHBondContact O-CB 3.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 3.36Å; I150-I153 PolarHBondContact O-N 3.3Å; H151-I153 PolarHBondContact O-N 2.95Å; I153-G157 WeakPolarHBondContact O-CA 3.21Å; I153-G157 PolarHBondContact O-N 3.34Å |
| 154 | A | 63.7 | Low | 61.1 | Low | 28 Ų | 28 | 107.2 Ų | 107.2 | 23% | 0.231 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -66.8 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I150 H151 G158 L159 | I150-A154 WeakPolarHBondContact O-CB 3.39Å; I150-A154 PolarHBondContact O-N 3.35Å; H151-A154 PolarHBondContact O-N 3.35Å; A154-G158 PolarHBondContact O-N 3.47Å; A154-L159 PolarHBondContact O-N 3.3Å |
| 155 | E | 68.5 | Low | 60.4 | Low | 136 Ų | 136 | 106.2 Ų | 106.2 | 64% | 0.636 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.3 | -45.5 | 173.1 | -74.4 | 174.7 | -161.5 | 0 | 0 | 112.1 | H151 G157 G158 | H151-E155 IonicContact CE1-OE1 3.36Å; H151-E155 PolarHBondContact CE1-OE1 3.13Å; H151-E155 IonicContact ND1-OE1 2.86Å; H151-E155 PolarHBondContact ND1-OE1 3.32Å; H151-E155 WeakPolarHBondContact O-CB 3.4Å; H151-E155 WeakPolarHBondContact O-CG 3.48Å; H151-E155 PolarHBondContact O-N 3.47Å; E155-G157 VanDerWaalsContact C-N 3.33Å; E155-G157 PolarHBondContact O-N 3.26Å; E155-G158 PolarHBondContact O-N 3.38Å |
| 156 | E | 58.3 | Low | 59.8 | Low | 161 Ų | 161 | 106 Ų | 106 | 75% | 0.752 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.9 | -30.1 | 177.2 | -80.6 | -170.1 | 160 | 0 | 0 | 113.2 | Q152 G158 | Q152-E156 WeakPolarHBondContact O-CB 3.33Å; Q152-E156 WeakPolarHBondContact O-CG 3.45Å; Q152-E156 PolarHBondContact O-N 3.09Å; E156-G158 VanDerWaalsContact C-N 3.27Å; E156-G158 PolarHBondContact O-N 3.07Å |
| 157 | G | 55.4 | Low | 58.6 | Low | 53 Ų | 53 | 110.3 Ų | 110.3 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -6.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I153 E155 L159 | I153-G157 WeakPolarHBondContact O-CA 3.21Å; I153-G157 PolarHBondContact O-N 3.34Å; E155-G157 VanDerWaalsContact C-N 3.33Å; E155-G157 PolarHBondContact O-N 3.26Å; G157-L159 PolarHBondContact O-N 2.95Å; G157-L159 VanDerWaalsContact O-N 3.17Å |
| 158 | G | 50.6 | Low | 57.3 | Low | 61 Ų | 61 | 112.5 Ų | 112.5 | 63% | 0.629 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.9 | 21.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | A154 E155 E156 E160 | A154-G158 PolarHBondContact O-N 3.47Å; E155-G158 PolarHBondContact O-N 3.38Å; E156-G158 VanDerWaalsContact C-N 3.27Å; E156-G158 PolarHBondContact O-N 3.07Å; G158-E160 VanDerWaalsContact C-N 3.28Å; G158-E160 PolarHBondContact O-N 3.48Å |
| 159 | L | 54.5 | Low | 55.4 | Low | 128 Ų | 128 | 113 Ų | 113 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | trans | -79.1 | 88.7 | 169.6 | -82.9 | 153.7 | 0 | 0 | 0 | 106 | A154 G157 V161 | A154-L159 PolarHBondContact O-N 3.3Å; G157-L159 PolarHBondContact O-N 2.95Å; G157-L159 VanDerWaalsContact O-N 3.17Å; L159-V161 HydrophobicContact CB-CG2 4.47Å; L159-V161 PolarHBondContact O-N 3.11Å | ||
| 160 | E | 51.1 | Low | 54.1 | Low | 138 Ų | 138 | 114 Ų | 114 | 65% | 0.645 | 63% | 0.627 | S | S | * | * | trans | -59.9 | 78.3 | 163.6 | -73.9 | 178.9 | 149.8 | 0 | 0 | 109.1 | G158 M162 D163 | G158-E160 VanDerWaalsContact C-N 3.28Å; G158-E160 PolarHBondContact O-N 3.48Å; E160-M162 PolarHBondContact O-N 3.17Å; E160-M162 VanDerWaalsContact O-N 3.13Å; E160-D163 HydrophobicContact CB-CB 3.96Å; E160-D163 PolarHBondContact O-N 3.19Å; E160-D163 VanDerWaalsContact O-N 3.1Å | ||
| 161 | V | 50.1 | Low | 52.3 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.7 | -14.5 | 165.9 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | L159 | L159-V161 HydrophobicContact CB-CG2 4.47Å; L159-V161 PolarHBondContact O-N 3.11Å |
| 162 | M | 47.4 | Very low | 50.5 | Low | 149 Ų | 149 | 111.1 Ų | 111.1 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.8 | -27.9 | 173.4 | -137.7 | 66.8 | -170.8 | 0 | 0 | 114.1 | E160 N166 | E160-M162 PolarHBondContact O-N 3.17Å; E160-M162 VanDerWaalsContact O-N 3.13Å; M162-N166 PolarHBondContact O-ND2 3.27Å; M162-N166 VanDerWaalsContact O-ND2 3.15Å |
| 163 | D | 48.7 | Very low | 49.3 | Very low | 73 Ų | 73 | 112.9 Ų | 112.9 | 39% | 0.39 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -94.7 | -24.7 | -172.1 | -145.9 | 44.9 | 0 | 0 | 0 | 113.4 | E160 Q167 | E160-D163 HydrophobicContact CB-CB 3.96Å; E160-D163 PolarHBondContact O-N 3.19Å; E160-D163 VanDerWaalsContact O-N 3.1Å; D163-Q167 PolarHBondContact OD2-NE2 3.47Å |
| 164 | Q | 46.1 | Very low | 48.1 | Very low | 165 Ų | 165 | 112.7 Ų | 112.7 | 77% | 0.771 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -81.1 | -17.1 | 171.6 | -76.9 | -174 | -6.5 | 0 | 0 | 114.2 | ||
| 165 | L | 48.7 | Very low | 46.9 | Very low | 130 Ų | 130 | 116.8 Ų | 116.8 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -82.1 | -23.4 | 170.7 | -162.3 | 63.1 | 0 | 0 | 0 | 112.2 | ||
| 166 | N | 46.5 | Very low | 45.5 | Very low | 119 Ų | 119 | 115 Ų | 115 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -86.8 | -11.7 | -179.9 | -81.8 | -26.2 | 0 | 0 | 0 | 115 | M162 | M162-N166 PolarHBondContact O-ND2 3.27Å; M162-N166 VanDerWaalsContact O-ND2 3.15Å |
| 167 | Q | 43.2 | Very low | 44.6 | Very low | 149 Ų | 149 | 109.5 Ų | 109.5 | 70% | 0.696 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 8.9 | -180 | -71 | -176.5 | 35.8 | 0 | 0 | 114.5 | D163 | D163-Q167 PolarHBondContact OD2-NE2 3.47Š|
| 168 | L | 39.6 | Very low | 43.9 | Very low | 131 Ų | 131 | 112 Ų | 112 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -84.2 | 133.8 | 165.9 | -85.3 | 145.2 | 0 | 0 | 0 | 109.8 | ||
| 169 | P | 36.3 | Very low | 43.6 | Very low | 119 Ų | 119 | 114.1 Ų | 114.1 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | -63.4 | 139.9 | -161 | 17.2 | -23.8 | 0 | 0 | 0 | 113.4 | G171 | P169-G171 PolarHBondContact O-N 3.21Š| ||
| 170 | A | 41.8 | Very low | 43.2 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 95% | 0.95 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -44.1 | 103.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 171 | G | 37.5 | Very low | 43.2 | Very low | 75 Ų | 75 | 112 Ų | 112 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | trans | -167.2 | 25.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P169 | P169-G171 PolarHBondContact O-N 3.21Š| ||
| 172 | A | 34.2 | Very low | 43.2 | Very low | 91 Ų | 91 | 110.6 Ų | 110.6 | 75% | 0.752 | 68% | 0.681 | S | S | * | * | trans | -168.9 | 72.4 | 162 | 0 | 0 | 0 | 0 | 0 | 110.5 | S174 | A172-S174 VanDerWaalsContact C-N 3.26Å; A172-S174 PolarHBondContact O-N 3.33Å | ||
| 173 | T | 45.1 | Very low | 43.5 | Very low | 148 Ų | 148 | 109.8 Ų | 109.8 | 91% | 0.908 | 68% | 0.676 | S | S | * | * | trans | -64.1 | 89.5 | 159.7 | 47 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 174 | S | 42.2 | Very low | 43.7 | Very low | 93 Ų | 93 | 111.9 Ų | 111.9 | 65% | 0.65 | 68% | 0.683 | S | S | * | * | trans | 172.6 | 104.5 | 164.2 | 152.9 | 0 | 0 | 0 | 0 | 105.9 | A172 | A172-S174 VanDerWaalsContact C-N 3.26Å; A172-S174 PolarHBondContact O-N 3.33Å | ||
| 175 | L | 38.7 | Very low | 44.3 | Very low | 114 Ų | 114 | 109.9 Ų | 109.9 | 60% | 0.597 | 67% | 0.672 | S | S | * | * | trans | 171 | 45.9 | 146.7 | -88.4 | 161 | 0 | 0 | 0 | 111.2 | G177 E178 | L175-G177 PolarHBondContact O-N 3.46Å; L175-E178 HydrophobicContact CD2-CB 4.39Å; L175-E178 HydrophobicContact CD2-CG 3.63Å; L175-E178 WeakPolarHBondContact CD2-OE2 3.47Å | ||
| 176 | G | 40.3 | Very low | 44.8 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 100% | 1 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 44.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 177 | G | 38.9 | Very low | 46 | Very low | 46 Ų | 46 | 109.6 Ų | 109.6 | 47% | 0.474 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -160.4 | 24.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L175 | L175-G177 PolarHBondContact O-N 3.46Š|
| 178 | E | 39.8 | Very low | 47.2 | Very low | 106 Ų | 106 | 107.8 Ų | 107.8 | 50% | 0.495 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -105.9 | -15.8 | -178.5 | -101.6 | 175.5 | 156.6 | 0 | 0 | 115.8 | L175 S180 R181 | L175-E178 HydrophobicContact CD2-CB 4.39Å; L175-E178 HydrophobicContact CD2-CG 3.63Å; L175-E178 WeakPolarHBondContact CD2-OE2 3.47Å; E178-S180 PolarHBondContact O-N 3.1Å; E178-R181 PolarHBondContact O-N 3.37Å |
| 179 | S | 44.4 | Very low | 48.6 | Very low | 106 Ų | 106 | 106.7 Ų | 106.7 | 74% | 0.741 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.3 | -29.9 | 175.6 | -66.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 180 | S | 47.5 | Very low | 50.4 | Low | 74 Ų | 74 | 103.9 Ų | 103.9 | 52% | 0.517 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -75.9 | -25.4 | 176.4 | 69.7 | 0 | 0 | 0 | 0 | 113 | E178 E184 | E178-S180 PolarHBondContact O-N 3.1Å; S180-E184 PolarHBondContact O-N 2.93Å; S180-E184 VanDerWaalsContact O-N 3.16Å |
| 181 | R | 49.5 | Very low | 52.1 | Low | 147 Ų | 147 | 107.9 Ų | 107.9 | 56% | 0.555 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.1 | -26.4 | -174.1 | -159.5 | 174.7 | -169.7 | -165.1 | 4.7 | 112.8 | E178 K185 | E178-R181 PolarHBondContact O-N 3.37Å; R181-K185 WeakPolarHBondContact O-CB 3.42Å; R181-K185 WeakPolarHBondContact O-CD 3.5Å; R181-K185 WeakPolarHBondContact O-CG 3.49Å; R181-K185 PolarHBondContact O-N 3.03Å |
| 182 | S | 51.5 | Low | 53.8 | Low | 75 Ų | 75 | 112.6 Ų | 112.6 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -75.6 | -42.6 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | K185 E186 | S182-K185 PolarHBondContact O-N 3.05Å; S182-E186 PolarHBondContact O-N 3Å |
| 183 | Q | 52.8 | Low | 55.7 | Low | 132 Ų | 132 | 113.5 Ų | 113.5 | 62% | 0.617 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.8 | -42.6 | 174.8 | -111.5 | 159.9 | -27.1 | 0 | 0 | 112.7 | K185 E186 D187 | Q183-K185 VanDerWaalsContact C-N 3.28Å; Q183-K185 PolarHBondContact O-N 3.35Å; Q183-E186 PolarHBondContact O-N 3.44Å; Q183-D187 PolarHBondContact O-N 3.2Å |
| 184 | E | 53.8 | Low | 57.1 | Low | 117 Ų | 117 | 109.3 Ų | 109.3 | 55% | 0.547 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64 | -32.2 | 174.7 | -84.5 | -175.4 | 136.3 | 0 | 0 | 113.2 | S180 Q188 | S180-E184 PolarHBondContact O-N 2.93Å; S180-E184 VanDerWaalsContact O-N 3.16Å; E184-Q188 WeakPolarHBondContact O-CB 3.29Å; E184-Q188 VanDerWaalsContact O-CG 3.24Å; E184-Q188 WeakPolarHBondContact O-CG 3.36Å; E184-Q188 PolarHBondContact O-N 3.48Å |
| 185 | K | 58.1 | Low | 58.6 | Low | 124 Ų | 124 | 108.4 Ų | 108.4 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.6 | -39.6 | 177.4 | -79.2 | 174.6 | -178.2 | 175.7 | 0 | 111.7 | R181 S182 Q183 Q188 L189 | R181-K185 WeakPolarHBondContact O-CB 3.42Å; R181-K185 WeakPolarHBondContact O-CD 3.5Å; R181-K185 WeakPolarHBondContact O-CG 3.49Å; R181-K185 PolarHBondContact O-N 3.03Å; S182-K185 PolarHBondContact O-N 3.05Å; Q183-K185 VanDerWaalsContact C-N 3.28Å; Q183-K185 PolarHBondContact O-N 3.35Å; K185-Q188 PolarHBondContact O-N 2.72Å; K185-L189 WeakPolarHBondContact O-CB 3.49Å; K185-L189 PolarHBondContact O-N 2.93Å |
| 186 | E | 58.5 | Low | 60 | Low | 140 Ų | 140 | 109.9 Ų | 109.9 | 65% | 0.654 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.2 | -41.8 | 173.9 | -83.5 | -176.7 | 140.5 | 0 | 0 | 112.1 | S182 Q183 Q188 L189 S190 | S182-E186 PolarHBondContact O-N 3Å; Q183-E186 PolarHBondContact O-N 3.44Å; E186-Q188 PolarHBondContact O-N 2.89Å; E186-L189 PolarHBondContact O-N 3.12Å; E186-S190 WeakPolarHBondContact O-CB 3.45Å; E186-S190 PolarHBondContact O-N 3.4Å; E186-S190 PolarHBondContact O-OG 3.37Å |
| 187 | D | 71.4 | Confident | 61.1 | Low | 103 Ų | 103 | 116 Ų | 116 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.1 | -36.3 | 176.3 | -83.9 | -10.9 | 0 | 0 | 0 | 112.7 | Q183 S190 R191 | Q183-D187 PolarHBondContact O-N 3.2Å; D187-S190 VanDerWaalsContact CA-OG 3.29Å; D187-S190 WeakPolarHBondContact CA-OG 3.35Å; D187-S190 PolarHBondContact O-OG 3.15Å; D187-R191 WeakPolarHBondContact O-CB 3.34Å; D187-R191 WeakPolarHBondContact O-CG 3.39Å; D187-R191 PolarHBondContact O-N 3.3Å; D187-R191 VanDerWaalsContact O-N 3.12Å |
| 188 | Q | 70.4 | Confident | 61.6 | Low | 111 Ų | 111 | 123.9 Ų | 123.9 | 52% | 0.519 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -72.5 | -37.1 | 175 | -77.2 | 179.5 | 16.4 | 0 | 0 | 112.6 | E184 K185 E186 R192 | E184-Q188 WeakPolarHBondContact O-CB 3.29Å; E184-Q188 VanDerWaalsContact O-CG 3.24Å; E184-Q188 WeakPolarHBondContact O-CG 3.36Å; E184-Q188 PolarHBondContact O-N 3.48Å; K185-Q188 PolarHBondContact O-N 2.72Å; E186-Q188 PolarHBondContact O-N 2.89Å; Q188-R192 PolarHBondContact O-N 3.35Å |
| 189 | L | 68.1 | Low | 62.7 | Low | 108 Ų | 108 | 124.8 Ų | 124.8 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.6 | -42.6 | 178.7 | -153.2 | 78.8 | 0 | 0 | 0 | 111 | K185 E186 R192 L193 | K185-L189 WeakPolarHBondContact O-CB 3.49Å; K185-L189 PolarHBondContact O-N 2.93Å; E186-L189 PolarHBondContact O-N 3.12Å; L189-R192 PolarHBondContact O-N 3.22Å; L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 WeakPolarHBondContact O-CG 3.24Å; L189-L193 PolarHBondContact O-N 3.49Å |
| 190 | S | 74.8 | Confident | 63.6 | Low | 60 Ų | 60 | 125.8 Ų | 125.8 | 42% | 0.42 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65 | -38.5 | 176.1 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | E186 D187 L193 A194 | E186-S190 WeakPolarHBondContact O-CB 3.45Å; E186-S190 PolarHBondContact O-N 3.4Å; E186-S190 PolarHBondContact O-OG 3.37Å; D187-S190 VanDerWaalsContact CA-OG 3.29Å; D187-S190 WeakPolarHBondContact CA-OG 3.35Å; D187-S190 PolarHBondContact O-OG 3.15Å; S190-L193 PolarHBondContact O-N 3.01Å; S190-A194 WeakPolarHBondContact O-CB 3.35Å; S190-A194 PolarHBondContact O-N 3.25Å |
| 191 | R | 77.1 | Confident | 64.5 | Low | 199 Ų | 199 | 128.7 Ų | 128.7 | 75% | 0.751 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.8 | -40.3 | 169.9 | -78.4 | -178.1 | -172 | -145.6 | 3.7 | 113.4 | D187 A194 A195 | D187-R191 WeakPolarHBondContact O-CB 3.34Å; D187-R191 WeakPolarHBondContact O-CG 3.39Å; D187-R191 PolarHBondContact O-N 3.3Å; D187-R191 VanDerWaalsContact O-N 3.12Å; R191-A194 PolarHBondContact O-N 3.08Å; R191-A195 PolarHBondContact O-N 3.16Å; R191-A195 VanDerWaalsContact O-N 3.08Å |
| 192 | R | 72.7 | Confident | 65.4 | Low | 173 Ų | 173 | 127.6 Ų | 127.6 | 65% | 0.653 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.4 | -39.1 | 176.7 | -81.8 | -176.4 | 173.7 | 154.5 | 0.5 | 112.5 | Q188 L189 A195 L196 | Q188-R192 PolarHBondContact O-N 3.35Å; L189-R192 PolarHBondContact O-N 3.22Å; R192-A195 PolarHBondContact O-N 3.01Å; R192-L196 PolarHBondContact O-N 3.34Å; R192-L196 VanDerWaalsContact O-N 3.15Å |
| 193 | L | 73.9 | Confident | 66.3 | Low | 111 Ų | 111 | 130.9 Ų | 130.9 | 58% | 0.581 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.2 | -37.5 | 175.2 | -76.1 | 165.2 | 0 | 0 | 0 | 111.9 | L189 S190 A195 L196 R197 | L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 WeakPolarHBondContact O-CG 3.24Å; L189-L193 PolarHBondContact O-N 3.49Å; S190-L193 PolarHBondContact O-N 3.01Å; L193-A195 VanDerWaalsContact C-N 3.34Å; L193-L196 PolarHBondContact O-N 3.03Å; L193-R197 PolarHBondContact O-N 3.36Å |
| 194 | A | 75.5 | Confident | 67.2 | Low | 60 Ų | 60 | 130.8 Ų | 130.8 | 50% | 0.496 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.3 | -37.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S190 R191 L196 R197 | S190-A194 WeakPolarHBondContact O-CB 3.35Å; S190-A194 PolarHBondContact O-N 3.25Å; R191-A194 PolarHBondContact O-N 3.08Å; A194-L196 VanDerWaalsContact C-N 3.32Å; A194-L196 PolarHBondContact O-N 3.37Å; A194-R197 PolarHBondContact O-N 3.49Å |
| 195 | A | 73.6 | Confident | 68.1 | Low | 73 Ų | 73 | 131.8 Ų | 131.8 | 60% | 0.603 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.7 | -25 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R191 R192 L193 | R191-A195 PolarHBondContact O-N 3.16Å; R191-A195 VanDerWaalsContact O-N 3.08Å; R192-A195 PolarHBondContact O-N 3.01Å; L193-A195 VanDerWaalsContact C-N 3.34Å |
| 196 | L | 67.4 | Low | 68.9 | Low | 145 Ų | 145 | 132.4 Ų | 132.4 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -6.6 | 176.6 | -77.4 | 160.6 | 0 | 0 | 0 | 113.6 | R192 L193 A194 | R192-L196 PolarHBondContact O-N 3.34Å; R192-L196 VanDerWaalsContact O-N 3.15Å; L193-L196 PolarHBondContact O-N 3.03Å; A194-L196 VanDerWaalsContact C-N 3.32Å; A194-L196 PolarHBondContact O-N 3.37Å |
| 197 | R | 64.2 | Low | 69.8 | Low | 225 Ų | 225 | 131.8 Ų | 131.8 | 85% | 0.849 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 3.6 | -178.5 | -162.9 | 175.1 | 167.7 | 178.9 | -2.5 | 113.3 | L193 A194 | L193-R197 PolarHBondContact O-N 3.36Å; A194-R197 PolarHBondContact O-N 3.49Å |
| 198 | N | 48 | Very low | 69.6 | Low | 213 Ų | 213 | 134.4 Ų | 134.4 | 100% | 1.139 | 67% | 0.667 | S | S | * | * | trans | -108.5 | 0 | 169.4 | -82.6 | -55.3 | 0 | 0 | 0 | 110.9 |
Retrieved 198 of 198 residues in 599.8 ms
(Link to these results)