| 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 | 56.6 | Low | 86.6 | Confident | 210 Ų | 210 | 95.6 Ų | 95.6 | 100% | 1.034 | 48% | 0.479 | S | S | * | . | 0 | 133.1 | 0 | -76.7 | 177.4 | -152.6 | 0 | 0 | 108 | D5 | M1-D5 HydrophobicContact CB-CB 4.24Š| |||
| 2 | S | 77.4 | Confident | 87.3 | Confident | 72 Ų | 72 | 95.2 Ų | 95.2 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | trans | -63.3 | 150.2 | 170.4 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | M4 D5 K6 | S2-M4 PolarHBondContact O-N 3.16Å; S2-D5 WeakPolarHBondContact CB-OD2 3.43Å; S2-D5 PolarHBondContact N-OD2 3.49Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.49Å; S2-K6 PolarHBondContact O-N 3.16Å | ||
| 3 | N | 86.4 | Confident | 87.9 | Confident | 126 Ų | 126 | 96.8 Ų | 96.8 | 67% | 0.674 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -51.5 | -33.6 | 174.4 | -75 | -21.4 | 0 | 0 | 0 | 111.3 | K6 H7 | N3-K6 PolarHBondContact O-N 3.45Å; N3-H7 PolarHBondContact O-CD2 3.43Å; N3-H7 PolarHBondContact O-N 3.12Å |
| 4 | M | 84.6 | Confident | 88.5 | Confident | 98 Ų | 98 | 93.2 Ų | 93.2 | 48% | 0.483 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.7 | -34 | 177.3 | -162 | 167 | -87 | 0 | 0 | 113.8 | S2 K6 H7 L8 V79 V83 | S2-M4 PolarHBondContact O-N 3.16Å; M4-K6 VanDerWaalsContact C-N 3.32Å; M4-H7 PolarHBondContact O-N 3.16Å; M4-L8 VanDerWaalsContact O-CB 3.25Å; M4-L8 WeakPolarHBondContact O-CB 3.48Å; M4-L8 PolarHBondContact O-N 3.4Å; M4-V79 HydrophobicContact CG-CG1 4.06Å; M4-V83 HydrophobicContact CB-CG2 4.08Å; M4-V83 HydrophobicContact CG-CG2 3.49Å; M4-V83 VanDerWaalsContact CG-CG2 3.49Å; M4-V83 HydrophobicContact SD-CG2 3.8Å |
| 5 | D | 88.3 | Confident | 88.9 | Confident | 35 Ų | 35 | 87.2 Ų | 87.2 | 19% | 0.187 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 173.3 | -63.2 | -62.4 | 0 | 0 | 0 | 110.6 | M1 S2 L8 F9 V83 K87 | M1-D5 HydrophobicContact CB-CB 4.24Å; S2-D5 WeakPolarHBondContact CB-OD2 3.43Å; S2-D5 PolarHBondContact N-OD2 3.49Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.49Å; D5-L8 PolarHBondContact O-N 3.07Å; D5-F9 PolarHBondContact O-N 3.44Å; D5-V83 WeakPolarHBondContact OD1-CG1 3.47Å; D5-K87 IonicContact OD1-NZ 3.38Å; D5-K87 PolarHBondContact OD1-NZ 3.46Å; D5-K87 VanDerWaalsContact OD1-NZ 3.11Å |
| 6 | K | 91.9 | Very high | 89.4 | Confident | 129 Ų | 129 | 90 Ų | 90 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.6 | -44.1 | 177.5 | -172.8 | 177.9 | -179.7 | -179.8 | 0 | 111.7 | S2 N3 M4 L8 F9 N10 | S2-K6 PolarHBondContact O-N 3.16Å; N3-K6 PolarHBondContact O-N 3.45Å; M4-K6 VanDerWaalsContact C-N 3.32Å; K6-L8 VanDerWaalsContact C-N 3.33Å; K6-F9 PolarHBondContact O-N 3Å; K6-N10 PolarHBondContact O-N 3.13Å |
| 7 | H | 90.8 | Very high | 89.9 | Confident | 115 Ų | 115 | 90.2 Ų | 90.2 | 53% | 0.532 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 175.3 | -70 | -59.7 | 0 | 0 | 0 | 112.2 | N3 M4 N10 L11 | N3-H7 PolarHBondContact O-CD2 3.43Å; N3-H7 PolarHBondContact O-N 3.12Å; M4-H7 PolarHBondContact O-N 3.16Å; H7-N10 PolarHBondContact O-N 3.09Å; H7-L11 WeakPolarHBondContact O-CG 3.34Å; H7-L11 PolarHBondContact O-N 3.4Å |
| 8 | L | 92.3 | Very high | 90.2 | Very high | 8 Ų | 8 | 86.3 Ų | 86.3 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 174.3 | 176.7 | 58.7 | 0 | 0 | 0 | 112.3 | M4 D5 K6 L11 K12 A76 V79 Q80 V83 | M4-L8 VanDerWaalsContact O-CB 3.25Å; M4-L8 WeakPolarHBondContact O-CB 3.48Å; M4-L8 PolarHBondContact O-N 3.4Å; D5-L8 PolarHBondContact O-N 3.07Å; K6-L8 VanDerWaalsContact C-N 3.33Å; L8-L11 PolarHBondContact O-N 2.9Å; L8-K12 HydrophobicContact CD1-CD 4.46Å; L8-K12 HydrophobicContact CD1-CG 4.44Å; L8-K12 PolarHBondContact O-N 3.22Å; L8-A76 HydrophobicContact CD1-CB 4.18Å; L8-A76 WeakPolarHBondContact CD1-O 3.38Å; L8-V79 HydrophobicContact CB-CG1 4.05Å; L8-V79 HydrophobicContact CD1-CB 4.11Å; L8-V79 HydrophobicContact CD1-CG1 4.05Å; L8-V79 HydrophobicContact CG-CG1 4.48Å; L8-Q80 HydrophobicContact CD1-CB 4.09Å; L8-Q80 HydrophobicContact CD2-CB 3.97Å; L8-Q80 HydrophobicContact CD2-CG 4.41Å; L8-Q80 VanDerWaalsContact CD2-OE1 3.31Å; L8-V83 HydrophobicContact CD2-CG2 4.33Å |
| 9 | F | 94.8 | Very high | 90.5 | Very high | 134 Ų | 134 | 85.9 Ų | 85.9 | 59% | 0.588 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.7 | -48.6 | 173.5 | 176.2 | -93.8 | 0 | 0 | 0 | 111.3 | D5 K6 L11 K12 F13 | D5-F9 PolarHBondContact O-N 3.44Å; K6-F9 PolarHBondContact O-N 3Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.41Å; F9-K12 PolarHBondContact O-N 3.49Å; F9-F13 WeakPolarHBondContact O-CB 3.3Å; F9-F13 PolarHBondContact O-N 3.15Å |
| 10 | N | 94.4 | Very high | 90.9 | Very high | 74 Ų | 74 | 90.4 Ų | 90.4 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 178.3 | -70.6 | -7.1 | 0 | 0 | 0 | 111.9 | K6 H7 F13 S14 | K6-N10 PolarHBondContact O-N 3.13Å; H7-N10 PolarHBondContact O-N 3.09Å; N10-F13 PolarHBondContact O-N 3.41Å; N10-S14 WeakPolarHBondContact O-CB 3.48Å; N10-S14 PolarHBondContact O-N 2.97Å; N10-S14 PolarHBondContact O-OG 3.31Å; N10-S14 VanDerWaalsContact O-OG 3.08Å |
| 11 | L | 94.6 | Very high | 91.1 | Very high | 51 Ų | 51 | 88.8 Ų | 88.8 | 27% | 0.267 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 177 | -75.1 | 167.9 | 0 | 0 | 0 | 112 | H7 L8 F9 F13 S14 A15 I72 V75 A76 V79 | H7-L11 WeakPolarHBondContact O-CG 3.34Å; H7-L11 PolarHBondContact O-N 3.4Å; L8-L11 PolarHBondContact O-N 2.9Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.41Å; L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 2.93Å; L11-S14 PolarHBondContact O-N 3Å; L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 3.03Å; L11-I72 HydrophobicContact CB-CG2 4.31Å; L11-I72 HydrophobicContact CD2-CG2 3.94Å; L11-I72 VanDerWaalsContact O-CG2 3.28Å; L11-I72 WeakPolarHBondContact O-CG2 3.33Å; L11-V75 HydrophobicContact CD1-CG1 4.37Å; L11-A76 HydrophobicContact CB-CB 3.97Å; L11-V79 HydrophobicContact CD1-CG2 4.33Å |
| 12 | K | 94.9 | Very high | 93 | Very high | 90 Ų | 90 | 79 Ų | 79 | 39% | 0.391 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 176.5 | -74.2 | -176 | 168.6 | 177.8 | 0 | 111.8 | L8 F9 K16 A76 | L8-K12 HydrophobicContact CD1-CD 4.46Å; L8-K12 HydrophobicContact CD1-CG 4.44Å; L8-K12 PolarHBondContact O-N 3.22Å; F9-K12 PolarHBondContact O-N 3.49Å; K12-K16 PolarHBondContact O-N 3.33Å; K12-K16 VanDerWaalsContact O-N 3.16Å; K12-A76 HydrophobicContact CG-CB 3.92Å |
| 13 | F | 96.2 | Very high | 94 | Very high | 117 Ų | 117 | 81.8 Ų | 81.8 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.3 | -50.6 | 176.6 | -176 | -94.8 | 0 | 0 | 0 | 111.4 | F9 N10 L11 A15 K16 E17 | F9-F13 WeakPolarHBondContact O-CB 3.3Å; F9-F13 PolarHBondContact O-N 3.15Å; N10-F13 PolarHBondContact O-N 3.41Å; L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 2.93Å; F13-A15 VanDerWaalsContact C-N 3.35Å; F13-A15 PolarHBondContact O-N 3.39Å; F13-K16 PolarHBondContact O-N 2.94Å; F13-K16 VanDerWaalsContact O-N 3.15Å; F13-E17 WeakPolarHBondContact O-CB 3.41Å; F13-E17 PolarHBondContact O-N 3.13Å |
| 14 | S | 95.2 | Very high | 94.5 | Very high | 46 Ų | 46 | 81.8 Ų | 81.8 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 177.9 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | N10 L11 K16 E17 L18 | N10-S14 WeakPolarHBondContact O-CB 3.48Å; N10-S14 PolarHBondContact O-N 2.97Å; N10-S14 PolarHBondContact O-OG 3.31Å; N10-S14 VanDerWaalsContact O-OG 3.08Å; L11-S14 PolarHBondContact O-N 3Å; S14-K16 VanDerWaalsContact C-N 3.35Å; S14-K16 PolarHBondContact O-N 3.41Å; S14-E17 PolarHBondContact O-N 2.97Å; S14-L18 VanDerWaalsContact O-CG 3.28Å; S14-L18 WeakPolarHBondContact O-CG 3.37Å; S14-L18 PolarHBondContact O-N 2.9Å |
| 15 | A | 95.8 | Very high | 95 | Very high | 3 Ų | 3 | 77.6 Ų | 77.6 | 3% | 0.025 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.3 | -48.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L11 F13 E17 L18 Q19 S69 I72 D73 | L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 3.03Å; F13-A15 VanDerWaalsContact C-N 3.35Å; F13-A15 PolarHBondContact O-N 3.39Å; A15-E17 VanDerWaalsContact C-N 3.34Å; A15-E17 PolarHBondContact O-N 3.44Å; A15-L18 PolarHBondContact O-N 2.95Å; A15-Q19 PolarHBondContact O-N 3.26Å; A15-S69 PolarHBondContact O-OG 3.3Å; A15-I72 HydrophobicContact CB-CB 4.22Å; A15-I72 HydrophobicContact CB-CG2 3.9Å; A15-D73 HydrophobicContact CB-CB 4.22Å |
| 16 | K | 96.8 | Very high | 95.4 | Very high | 132 Ų | 132 | 79 Ų | 79 | 57% | 0.574 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.6 | -34.8 | 179.9 | -162.7 | 163.9 | -172.8 | 166.8 | 0 | 112.9 | K12 F13 S14 Q19 R20 | K12-K16 PolarHBondContact O-N 3.33Å; K12-K16 VanDerWaalsContact O-N 3.16Å; F13-K16 PolarHBondContact O-N 2.94Å; F13-K16 VanDerWaalsContact O-N 3.15Å; S14-K16 VanDerWaalsContact C-N 3.35Å; S14-K16 PolarHBondContact O-N 3.41Å; K16-Q19 PolarHBondContact O-N 3.25Å; K16-R20 WeakPolarHBondContact O-CG 3.46Å; K16-R20 PolarHBondContact O-N 2.67Å |
| 17 | E | 96.7 | Very high | 95.6 | Very high | 93 Ų | 93 | 80.7 Ų | 80.7 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 173.5 | -171.7 | 178.6 | -177 | 0 | 0 | 111.5 | F13 S14 A15 Q19 R20 N21 | F13-E17 WeakPolarHBondContact O-CB 3.41Å; F13-E17 PolarHBondContact O-N 3.13Å; S14-E17 PolarHBondContact O-N 2.97Å; A15-E17 VanDerWaalsContact C-N 3.34Å; A15-E17 PolarHBondContact O-N 3.44Å; E17-Q19 VanDerWaalsContact C-N 3.33Å; E17-Q19 PolarHBondContact O-N 3.5Å; E17-R20 WeakPolarHBondContact O-CB 3.44Å; E17-R20 PolarHBondContact O-N 3.46Å; E17-R20 VanDerWaalsContact O-N 3.16Å; E17-N21 PolarHBondContact O-N 3.22Å |
| 18 | L | 96.1 | Very high | 95.9 | Very high | 20 Ų | 20 | 78.7 Ų | 78.7 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63 | -39.3 | 175.3 | -68.1 | 175.1 | 0 | 0 | 0 | 112.4 | S14 A15 R20 N21 S22 F65 M68 I72 | S14-L18 VanDerWaalsContact O-CG 3.28Å; S14-L18 WeakPolarHBondContact O-CG 3.37Å; S14-L18 PolarHBondContact O-N 2.9Å; A15-L18 PolarHBondContact O-N 2.95Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 2.86Å; L18-N21 PolarHBondContact O-N 3.22Å; L18-S22 PolarHBondContact O-N 3.3Å; L18-F65 HydrophobicContact CD2-CD1 3.74Å; L18-F65 HydrophobicContact CD2-CE1 4.16Å; L18-M68 HydrophobicContact CD1-CB 4.05Å; L18-M68 HydrophobicContact CD1-CE 3.53Å; L18-M68 HydrophobicContact CD1-CG 3.73Å; L18-M68 HydrophobicContact CD1-SD 4.4Å; L18-M68 HydrophobicContact CD2-CE 3.4Å; L18-M68 VanDerWaalsContact CD2-CE 3.4Å; L18-M68 HydrophobicContact CG-CE 4.12Å; L18-I72 HydrophobicContact CD1-CD1 3.56Å |
| 19 | Q | 96.3 | Very high | 96 | Very high | 79 Ų | 79 | 79.1 Ų | 79.1 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 174.4 | -164.1 | -174.3 | 4.9 | 0 | 0 | 111.8 | A15 K16 E17 K23 | A15-Q19 PolarHBondContact O-N 3.26Å; K16-Q19 PolarHBondContact O-N 3.25Å; E17-Q19 VanDerWaalsContact C-N 3.33Å; E17-Q19 PolarHBondContact O-N 3.5Å; Q19-K23 WeakPolarHBondContact O-CG 3.45Å; Q19-K23 PolarHBondContact O-N 3.12Å; Q19-K23 VanDerWaalsContact O-N 3.13Å |
| 20 | R | 97.4 | Very high | 96 | Very high | 176 Ų | 176 | 79.7 Ų | 79.7 | 66% | 0.664 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.3 | -42.8 | 173.3 | -78.1 | 176.7 | 166.1 | 179.7 | -4 | 111.7 | K16 E17 L18 K23 K24 | K16-R20 WeakPolarHBondContact O-CG 3.46Å; K16-R20 PolarHBondContact O-N 2.67Å; E17-R20 WeakPolarHBondContact O-CB 3.44Å; E17-R20 PolarHBondContact O-N 3.46Å; E17-R20 VanDerWaalsContact O-N 3.16Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 2.86Å; R20-K23 PolarHBondContact O-N 3.48Å; R20-K24 PolarHBondContact O-N 3.35Å |
| 21 | N | 95.5 | Very high | 96.1 | Very high | 56 Ų | 56 | 78.3 Ų | 78.3 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 177.4 | -70.7 | -18.3 | 0 | 0 | 0 | 111.8 | E17 L18 K24 C25 F65 | E17-N21 PolarHBondContact O-N 3.22Å; L18-N21 PolarHBondContact O-N 3.22Å; N21-K24 WeakPolarHBondContact O-CB 3.42Å; N21-K24 PolarHBondContact O-N 2.91Å; N21-C25 PolarHBondContact O-N 3.01Å; N21-C25 PolarHBondContact O-SG 3.45Å; N21-F65 HydrophobicContact CB-CD2 4.08Å; N21-F65 HydrophobicContact CB-CE2 4.21Å; N21-F65 HydrophobicContact CB-CG 4.4Å |
| 22 | S | 96.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 77.2 Ų | 77.2 | 4% | 0.035 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.4 | -50.7 | 171 | 164.9 | 0 | 0 | 0 | 0 | 111.7 | L18 K24 C25 D26 S62 | L18-S22 PolarHBondContact O-N 3.3Å; S22-K24 VanDerWaalsContact C-N 3.26Å; S22-K24 PolarHBondContact O-N 3Å; S22-C25 WeakPolarHBondContact O-CB 3.45Å; S22-C25 PolarHBondContact O-N 2.96Å; S22-C25 VanDerWaalsContact O-N 3.16Å; S22-D26 PolarHBondContact O-N 3.27Å; S22-S62 PolarHBondContact O-OG 2.84Å; S22-S62 VanDerWaalsContact O-OG 3.11Å; S22-S62 PolarHBondContact OG-O 3.08Å; S22-S62 PolarHBondContact OG-OG 2.89Å |
| 23 | K | 97.4 | Very high | 96 | Very high | 131 Ų | 131 | 77.5 Ų | 77.5 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.6 | -34.6 | 177 | -70.9 | -179.9 | 179.9 | -175.6 | 0 | 112.9 | Q19 R20 K27 | Q19-K23 WeakPolarHBondContact O-CG 3.45Å; Q19-K23 PolarHBondContact O-N 3.12Å; Q19-K23 VanDerWaalsContact O-N 3.13Å; R20-K23 PolarHBondContact O-N 3.48Å; K23-K27 PolarHBondContact O-N 2.94Å; K23-K27 VanDerWaalsContact O-N 3.11Å |
| 24 | K | 97.6 | Very high | 95.9 | Very high | 125 Ų | 125 | 74.2 Ų | 74.2 | 54% | 0.543 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -47.5 | 175.2 | -172.8 | -178.3 | 174.8 | -173 | 0 | 110.9 | R20 N21 S22 D26 K27 E28 | R20-K24 PolarHBondContact O-N 3.35Å; N21-K24 WeakPolarHBondContact O-CB 3.42Å; N21-K24 PolarHBondContact O-N 2.91Å; S22-K24 VanDerWaalsContact C-N 3.26Å; S22-K24 PolarHBondContact O-N 3Å; K24-D26 VanDerWaalsContact C-N 3.32Å; K24-D26 PolarHBondContact O-N 2.97Å; K24-K27 WeakPolarHBondContact O-CB 3.5Å; K24-K27 PolarHBondContact O-N 2.87Å; K24-K27 VanDerWaalsContact O-N 3.13Å; K24-E28 WeakPolarHBondContact CE-OE1 3.36Å; K24-E28 WeakPolarHBondContact O-CG 3.38Å; K24-E28 PolarHBondContact O-N 3.3Å |
| 25 | C | 95.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 76.5 Ų | 76.5 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 174.4 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | N21 S22 K27 E28 E29 Q58 | N21-C25 PolarHBondContact O-N 3.01Å; N21-C25 PolarHBondContact O-SG 3.45Å; S22-C25 WeakPolarHBondContact O-CB 3.45Å; S22-C25 PolarHBondContact O-N 2.96Å; S22-C25 VanDerWaalsContact O-N 3.16Å; C25-K27 VanDerWaalsContact C-N 3.33Å; C25-K27 PolarHBondContact O-N 3.42Å; C25-E28 PolarHBondContact O-N 3.27Å; C25-E29 WeakPolarHBondContact O-CB 3.28Å; C25-E29 PolarHBondContact O-N 3.33Å; C25-Q58 PolarHBondContact SG-OE1 3.42Å |
| 26 | D | 95.9 | Very high | 95.7 | Very high | 66 Ų | 66 | 77.5 Ų | 77.5 | 35% | 0.353 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 175 | -80.3 | -6.4 | 0 | 0 | 0 | 112.7 | S22 K24 E29 K30 S62 | S22-D26 PolarHBondContact O-N 3.27Å; K24-D26 VanDerWaalsContact C-N 3.32Å; K24-D26 PolarHBondContact O-N 2.97Å; D26-E29 PolarHBondContact O-N 3.31Å; D26-K30 WeakPolarHBondContact O-CG 3.4Å; D26-K30 PolarHBondContact O-N 3.48Å; D26-K30 VanDerWaalsContact O-N 3.15Å; D26-S62 VanDerWaalsContact CG-OG 3.23Å; D26-S62 WeakPolarHBondContact OD1-CB 3.36Å; D26-S62 PolarHBondContact OD1-OG 3.16Å |
| 27 | K | 97.6 | Very high | 95.5 | Very high | 164 Ų | 164 | 78.4 Ų | 78.4 | 71% | 0.713 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | 176 | -172.7 | 179.6 | 178.4 | -179 | 0 | 111 | K23 K24 C25 K30 A31 | K23-K27 PolarHBondContact O-N 2.94Å; K23-K27 VanDerWaalsContact O-N 3.11Å; K24-K27 WeakPolarHBondContact O-CB 3.5Å; K24-K27 PolarHBondContact O-N 2.87Å; K24-K27 VanDerWaalsContact O-N 3.13Å; C25-K27 VanDerWaalsContact C-N 3.33Å; C25-K27 PolarHBondContact O-N 3.42Å; K27-K30 PolarHBondContact O-N 3.1Å; K27-A31 PolarHBondContact O-N 3.08Å; K27-A31 VanDerWaalsContact O-N 3.1Å |
| 28 | E | 96 | Very high | 95.3 | Very high | 72 Ų | 72 | 80.5 Ų | 80.5 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 176.4 | -71.2 | 174.8 | -173.4 | 0 | 0 | 111.3 | K24 C25 K30 A31 E32 Q58 | K24-E28 WeakPolarHBondContact CE-OE1 3.36Å; K24-E28 WeakPolarHBondContact O-CG 3.38Å; K24-E28 PolarHBondContact O-N 3.3Å; C25-E28 PolarHBondContact O-N 3.27Å; E28-K30 PolarHBondContact O-N 3.38Å; E28-A31 WeakPolarHBondContact O-CB 3.47Å; E28-A31 PolarHBondContact O-N 3.03Å; E28-E32 WeakPolarHBondContact O-CG 3.46Å; E28-E32 PolarHBondContact O-N 3.08Å; E28-Q58 HydrophobicContact CB-CG 4.4Å; E28-Q58 PolarHBondContact OE2-NE2 3.26Å |
| 29 | E | 94.3 | Very high | 95 | Very high | 17 Ų | 17 | 80 Ų | 80 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 173.8 | -171.9 | -118.2 | -153.8 | 0 | 0 | 112.2 | C25 D26 A31 E32 K33 A55 Q58 K59 | C25-E29 WeakPolarHBondContact O-CB 3.28Å; C25-E29 PolarHBondContact O-N 3.33Å; D26-E29 PolarHBondContact O-N 3.31Å; E29-A31 VanDerWaalsContact C-N 3.32Å; E29-A31 PolarHBondContact O-N 3.2Å; E29-E32 PolarHBondContact O-N 3.24Å; E29-K33 VanDerWaalsContact CD-CE 3.42Å; E29-K33 WeakPolarHBondContact O-CG 3.1Å; E29-K33 PolarHBondContact O-N 3.49Å; E29-K33 WeakPolarHBondContact OE1-CE 3.45Å; E29-K33 IonicContact OE1-NZ 3.71Å; E29-K33 PolarHBondContact OE1-NZ 3.34Å; E29-K33 WeakPolarHBondContact OE2-CE 3.36Å; E29-K33 IonicContact OE2-NZ 3.11Å; E29-K33 PolarHBondContact OE2-NZ 2.88Å; E29-A55 HydrophobicContact CG-CB 4.4Å; E29-A55 WeakPolarHBondContact CG-O 3.17Å; E29-Q58 HydrophobicContact CB-CB 4.06Å; E29-K59 HydrophobicContact CG-CB 4.15Å |
| 30 | K | 95.4 | Very high | 94.7 | Very high | 146 Ų | 146 | 81.4 Ų | 81.4 | 64% | 0.635 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 175.9 | -70.5 | 175.6 | -177 | -179.9 | 0 | 111.9 | D26 K27 E28 A34 | D26-K30 WeakPolarHBondContact O-CG 3.4Å; D26-K30 PolarHBondContact O-N 3.48Å; D26-K30 VanDerWaalsContact O-N 3.15Å; K27-K30 PolarHBondContact O-N 3.1Å; E28-K30 PolarHBondContact O-N 3.38Å; K30-A34 PolarHBondContact O-N 3.36Å; K30-A34 VanDerWaalsContact O-N 3.08Å |
| 31 | A | 96.1 | Very high | 94.4 | Very high | 46 Ų | 46 | 80.8 Ų | 80.8 | 38% | 0.38 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | K27 E28 E29 A34 K35 | K27-A31 PolarHBondContact O-N 3.08Å; K27-A31 VanDerWaalsContact O-N 3.1Å; E28-A31 WeakPolarHBondContact O-CB 3.47Å; E28-A31 PolarHBondContact O-N 3.03Å; E29-A31 VanDerWaalsContact C-N 3.32Å; E29-A31 PolarHBondContact O-N 3.2Å; A31-A34 WeakPolarHBondContact O-CB 3.45Å; A31-A34 PolarHBondContact O-N 3.39Å; A31-K35 WeakPolarHBondContact O-CG 3.42Å; A31-K35 PolarHBondContact O-N 2.9Å; A31-K35 VanDerWaalsContact O-N 3.08Å |
| 32 | E | 93.7 | Very high | 94.2 | Very high | 27 Ų | 27 | 86 Ų | 86 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 176.5 | -69.4 | -55.7 | 130.3 | 0 | 0 | 111.6 | E28 E29 A34 K35 V36 H51 N54 A55 | E28-E32 WeakPolarHBondContact O-CG 3.46Å; E28-E32 PolarHBondContact O-N 3.08Å; E29-E32 PolarHBondContact O-N 3.24Å; E32-A34 VanDerWaalsContact C-N 3.28Å; E32-A34 PolarHBondContact O-N 2.66Å; E32-K35 CarbonylContact O-C 3.59Å; E32-K35 WeakPolarHBondContact O-CA 3.41Å; E32-K35 WeakPolarHBondContact O-CB 3.45Å; E32-K35 PolarHBondContact O-N 2.71Å; E32-K35 IonicContact OE1-NZ 2.71Å; E32-K35 PolarHBondContact OE1-NZ 3.29Å; E32-V36 WeakPolarHBondContact O-CG2 3.12Å; E32-V36 PolarHBondContact O-N 2.92Å; E32-H51 IonicContact OE2-CE1 3.65Å; E32-H51 IonicContact OE2-CG 3.56Å; E32-H51 IonicContact OE2-ND1 2.67Å; E32-H51 PolarHBondContact OE2-ND1 3.45Å; E32-N54 HydrophobicContact CG-CB 4.25Å; E32-A55 HydrophobicContact CB-CB 3.9Å |
| 33 | K | 93 | Very high | 93.9 | Very high | 97 Ų | 97 | 88.3 Ų | 88.3 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 172.5 | -76.9 | 177.2 | 179 | 163 | 0 | 113.1 | E29 K35 V36 K37 A55 | E29-K33 VanDerWaalsContact CD-CE 3.42Å; E29-K33 WeakPolarHBondContact O-CG 3.1Å; E29-K33 PolarHBondContact O-N 3.49Å; E29-K33 WeakPolarHBondContact OE1-CE 3.45Å; E29-K33 IonicContact OE1-NZ 3.71Å; E29-K33 PolarHBondContact OE1-NZ 3.34Å; E29-K33 WeakPolarHBondContact OE2-CE 3.36Å; E29-K33 IonicContact OE2-NZ 3.11Å; E29-K33 PolarHBondContact OE2-NZ 2.88Å; K33-K35 VanDerWaalsContact C-N 3.33Å; K33-V36 PolarHBondContact O-N 2.92Å; K33-K37 PolarHBondContact O-N 2.87Å; K33-K37 VanDerWaalsContact O-N 3.1Å; K33-A55 HydrophobicContact CG-CB 4.18Å |
| 34 | A | 95.3 | Very high | 93.6 | Very high | 48 Ų | 48 | 86.5 Ų | 86.5 | 40% | 0.397 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K30 A31 E32 K37 K38 | K30-A34 PolarHBondContact O-N 3.36Å; K30-A34 VanDerWaalsContact O-N 3.08Å; A31-A34 WeakPolarHBondContact O-CB 3.45Å; A31-A34 PolarHBondContact O-N 3.39Å; E32-A34 VanDerWaalsContact C-N 3.28Å; E32-A34 PolarHBondContact O-N 2.66Å; A34-K37 PolarHBondContact O-N 3.33Å; A34-K38 WeakPolarHBondContact O-CG 3.48Å; A34-K38 PolarHBondContact O-N 3.42Å |
| 35 | K | 92.7 | Very high | 93.1 | Very high | 94 Ų | 94 | 85.5 Ų | 85.5 | 41% | 0.409 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 173.6 | -65.1 | 173.7 | -169.7 | 170.3 | 0 | 111.9 | A31 E32 K33 K37 K38 A39 H51 | A31-K35 WeakPolarHBondContact O-CG 3.42Å; A31-K35 PolarHBondContact O-N 2.9Å; A31-K35 VanDerWaalsContact O-N 3.08Å; E32-K35 CarbonylContact O-C 3.59Å; E32-K35 WeakPolarHBondContact O-CA 3.41Å; E32-K35 WeakPolarHBondContact O-CB 3.45Å; E32-K35 PolarHBondContact O-N 2.71Å; E32-K35 IonicContact OE1-NZ 2.71Å; E32-K35 PolarHBondContact OE1-NZ 3.29Å; K33-K35 VanDerWaalsContact C-N 3.33Å; K35-K37 PolarHBondContact O-N 3.26Å; K35-K38 PolarHBondContact O-N 2.89Å; K35-A39 WeakPolarHBondContact O-CB 3.46Å; K35-A39 PolarHBondContact O-N 3.39Å; K35-H51 HydrophobicContact CB-CB 4.47Å |
| 36 | V | 93.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 92.5 Ų | 92.5 | 14% | 0.139 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -55.5 | -50.5 | 173.4 | 175 | 0 | 0 | 0 | 0 | 110.7 | E32 K33 K38 A39 I40 H51 A52 | E32-V36 WeakPolarHBondContact O-CG2 3.12Å; E32-V36 PolarHBondContact O-N 2.92Å; K33-V36 PolarHBondContact O-N 2.92Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 3.5Å; V36-A39 PolarHBondContact O-N 3.1Å; V36-A39 VanDerWaalsContact O-N 3.13Å; V36-I40 HydrophobicContact CG1-CD1 3.71Å; V36-I40 HydrophobicContact CG1-CG1 4.31Å; V36-I40 WeakPolarHBondContact O-CG1 3.4Å; V36-I40 PolarHBondContact O-N 3.23Å; V36-H51 VanDerWaalsContact CG2-C 3.45Å; V36-H51 HydrophobicContact CG2-CB 3.46Å; V36-H51 VanDerWaalsContact CG2-CB 3.46Å; V36-A52 HydrophobicContact CG2-CB 4.03Å; V36-A52 VanDerWaalsContact CG2-N 3.32Å |
| 37 | K | 92.3 | Very high | 92.5 | Very high | 151 Ų | 151 | 92.4 Ų | 92.4 | 66% | 0.657 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -56.3 | -44.5 | 178.4 | -71.7 | -177.5 | 179.3 | -173.2 | 0 | 112.1 | K33 A34 K35 Q41 | K33-K37 PolarHBondContact O-N 2.87Å; K33-K37 VanDerWaalsContact O-N 3.1Å; A34-K37 PolarHBondContact O-N 3.33Å; K35-K37 PolarHBondContact O-N 3.26Å; K37-Q41 WeakPolarHBondContact O-CG 3.28Å; K37-Q41 PolarHBondContact O-N 2.61Å; K37-Q41 VanDerWaalsContact O-N 3.12Å |
| 38 | K | 93.4 | Very high | 92.1 | Very high | 137 Ų | 137 | 85 Ų | 85 | 60% | 0.596 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.4 | -38.3 | 177.3 | -70.2 | 178.8 | -179.6 | -176.8 | 0 | 112.7 | A34 K35 V36 Q41 K42 | A34-K38 WeakPolarHBondContact O-CG 3.48Å; A34-K38 PolarHBondContact O-N 3.42Å; K35-K38 PolarHBondContact O-N 2.89Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 3.5Å; K38-Q41 PolarHBondContact O-N 3.11Å; K38-K42 WeakPolarHBondContact O-CG 3.47Å; K38-K42 PolarHBondContact O-N 2.96Å |
| 39 | A | 89.4 | Confident | 91.8 | Very high | 9 Ų | 9 | 89.1 Ų | 89.1 | 7% | 0.074 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.3 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K35 V36 K42 G43 N44 V47 A48 | K35-A39 WeakPolarHBondContact O-CB 3.46Å; K35-A39 PolarHBondContact O-N 3.39Å; V36-A39 PolarHBondContact O-N 3.1Å; V36-A39 VanDerWaalsContact O-N 3.13Å; A39-K42 PolarHBondContact O-N 2.89Å; A39-G43 PolarHBondContact O-N 3.22Å; A39-N44 PolarHBondContact O-N 2.93Å; A39-N44 VanDerWaalsContact O-N 3.09Å; A39-V47 HydrophobicContact CB-CB 4.44Å; A39-V47 HydrophobicContact CB-CG1 4.15Å; A39-A48 HydrophobicContact CB-CB 3.88Å |
| 40 | I | 90.1 | Very high | 91.7 | Very high | 109 Ų | 109 | 92.9 Ų | 92.9 | 56% | 0.559 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 174.4 | -67.2 | 171.5 | 0 | 0 | 0 | 110.8 | V36 K42 G43 A48 | V36-I40 HydrophobicContact CG1-CD1 3.71Å; V36-I40 HydrophobicContact CG1-CG1 4.31Å; V36-I40 WeakPolarHBondContact O-CG1 3.4Å; V36-I40 PolarHBondContact O-N 3.23Å; I40-K42 PolarHBondContact O-N 2.58Å; I40-G43 PolarHBondContact O-N 3.44Å; I40-A48 HydrophobicContact CG1-CB 3.76Å |
| 41 | Q | 91.3 | Very high | 91.4 | Very high | 164 Ų | 164 | 88 Ų | 88 | 77% | 0.766 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.2 | -29.1 | 177.4 | -75.4 | 173.8 | -11.7 | 0 | 0 | 113.3 | K37 K38 G43 | K37-Q41 WeakPolarHBondContact O-CG 3.28Å; K37-Q41 PolarHBondContact O-N 2.61Å; K37-Q41 VanDerWaalsContact O-N 3.12Å; K38-Q41 PolarHBondContact O-N 3.11Å; Q41-G43 VanDerWaalsContact C-N 3.33Å |
| 42 | K | 91.6 | Very high | 91.2 | Very high | 166 Ų | 166 | 87.6 Ų | 87.6 | 72% | 0.722 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.5 | 176.6 | -68.5 | 178.9 | 179 | -169.4 | 0 | 113.6 | K38 A39 I40 N44 | K38-K42 WeakPolarHBondContact O-CG 3.47Å; K38-K42 PolarHBondContact O-N 2.96Å; A39-K42 PolarHBondContact O-N 2.89Å; I40-K42 PolarHBondContact O-N 2.58Å; K42-N44 VanDerWaalsContact C-N 3.28Å; K42-N44 PolarHBondContact O-N 2.95Å |
| 43 | G | 90.1 | Very high | 91.2 | Very high | 53 Ų | 53 | 91.9 Ų | 91.9 | 55% | 0.546 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A39 I40 Q41 V45 | A39-G43 PolarHBondContact O-N 3.22Å; I40-G43 PolarHBondContact O-N 3.44Å; Q41-G43 VanDerWaalsContact C-N 3.33Å; G43-V45 PolarHBondContact O-N 3.41Å; G43-V45 VanDerWaalsContact O-N 3.15Å |
| 44 | N | 90.8 | Very high | 91.1 | Very high | 93 Ų | 93 | 89.2 Ų | 89.2 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | trans | -88 | 83.3 | -178.2 | -77.8 | -16.5 | 0 | 0 | 0 | 111.3 | A39 K42 E46 V47 A48 | A39-N44 PolarHBondContact O-N 2.93Å; A39-N44 VanDerWaalsContact O-N 3.09Å; K42-N44 VanDerWaalsContact C-N 3.28Å; K42-N44 PolarHBondContact O-N 2.95Å; N44-E46 PolarHBondContact O-N 3.27Å; N44-V47 HydrophobicContact CB-CB 4.2Å; N44-V47 HydrophobicContact CB-CG2 4.3Å; N44-V47 PolarHBondContact O-N 3.43Å; N44-A48 PolarHBondContact O-N 3.15Å | ||
| 45 | V | 88.4 | Confident | 90.9 | Very high | 103 Ų | 103 | 87.2 Ų | 87.2 | 62% | 0.624 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65 | -38 | -174.8 | -176.7 | 0 | 0 | 0 | 0 | 113 | G43 A48 R49 | G43-V45 PolarHBondContact O-N 3.41Å; G43-V45 VanDerWaalsContact O-N 3.15Å; V45-A48 PolarHBondContact O-N 3.41Å; V45-R49 PolarHBondContact O-N 3.48Å |
| 46 | E | 89.6 | Confident | 91 | Very high | 157 Ų | 157 | 87.7 Ų | 87.7 | 73% | 0.734 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.7 | -46.2 | 177 | -82.3 | -171.3 | 137.2 | 0 | 0 | 112.5 | N44 A48 R49 I50 | N44-E46 PolarHBondContact O-N 3.27Å; E46-A48 VanDerWaalsContact C-N 3.3Å; E46-A48 PolarHBondContact O-N 2.81Å; E46-R49 WeakPolarHBondContact O-CB 3.48Å; E46-R49 PolarHBondContact O-N 3.17Å; E46-R49 VanDerWaalsContact O-N 3.16Å; E46-I50 PolarHBondContact O-N 3.1Å; E46-I50 VanDerWaalsContact O-N 3.12Å |
| 47 | V | 88.3 | Confident | 91 | Very high | 64 Ų | 64 | 92.9 Ų | 92.9 | 39% | 0.388 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -38 | 178.5 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | A39 N44 R49 I50 H51 | A39-V47 HydrophobicContact CB-CB 4.44Å; A39-V47 HydrophobicContact CB-CG1 4.15Å; N44-V47 HydrophobicContact CB-CB 4.2Å; N44-V47 HydrophobicContact CB-CG2 4.3Å; N44-V47 PolarHBondContact O-N 3.43Å; V47-R49 VanDerWaalsContact C-N 3.34Å; V47-R49 PolarHBondContact O-N 3.11Å; V47-I50 PolarHBondContact O-N 2.96Å; V47-H51 PolarHBondContact O-CD2 3.45Å; V47-H51 PolarHBondContact O-N 3.16Å; V47-H51 VanDerWaalsContact O-N 3.13Å |
| 48 | A | 88.8 | Confident | 91.2 | Very high | 8 Ų | 8 | 86.8 Ų | 86.8 | 7% | 0.066 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | A39 I40 N44 V45 E46 A52 | A39-A48 HydrophobicContact CB-CB 3.88Å; I40-A48 HydrophobicContact CG1-CB 3.76Å; N44-A48 PolarHBondContact O-N 3.15Å; V45-A48 PolarHBondContact O-N 3.41Å; E46-A48 VanDerWaalsContact C-N 3.3Å; E46-A48 PolarHBondContact O-N 2.81Å; A48-A52 VanDerWaalsContact O-CB 3.3Å; A48-A52 WeakPolarHBondContact O-CB 3.47Å; A48-A52 PolarHBondContact O-N 3.12Å |
| 49 | R | 89.7 | Confident | 91.2 | Very high | 159 Ų | 159 | 85.5 Ų | 85.5 | 60% | 0.6 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.2 | -46.2 | 177 | -175.2 | -179.7 | -78.9 | 150.5 | -6.3 | 111.7 | V45 E46 V47 H51 A52 E53 | V45-R49 PolarHBondContact O-N 3.48Å; E46-R49 WeakPolarHBondContact O-CB 3.48Å; E46-R49 PolarHBondContact O-N 3.17Å; E46-R49 VanDerWaalsContact O-N 3.16Å; V47-R49 VanDerWaalsContact C-N 3.34Å; V47-R49 PolarHBondContact O-N 3.11Å; R49-H51 PolarHBondContact O-N 3.13Å; R49-A52 WeakPolarHBondContact O-CB 3.42Å; R49-A52 PolarHBondContact O-N 3.45Å; R49-A52 VanDerWaalsContact O-N 3.16Å; R49-E53 PolarHBondContact O-N 2.89Å |
| 50 | I | 93 | Very high | 91.4 | Very high | 97 Ų | 97 | 89.3 Ų | 89.3 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 178.6 | -63.9 | 168.3 | 0 | 0 | 0 | 111.3 | E46 V47 A52 E53 N54 | E46-I50 PolarHBondContact O-N 3.1Å; E46-I50 VanDerWaalsContact O-N 3.12Å; V47-I50 PolarHBondContact O-N 2.96Å; I50-A52 VanDerWaalsContact C-N 3.3Å; I50-A52 PolarHBondContact O-N 3.29Å; I50-E53 PolarHBondContact O-N 3.46Å; I50-N54 PolarHBondContact O-N 3.47Å; I50-N54 PolarHBondContact O-ND2 2.93Å |
| 51 | H | 89.8 | Confident | 91.5 | Very high | 44 Ų | 44 | 88 Ų | 88 | 20% | 0.204 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.6 | -32.1 | 177.1 | -73.1 | -59 | 0 | 0 | 0 | 112.5 | E32 K35 V36 V47 R49 A55 | E32-H51 IonicContact OE2-CE1 3.65Å; E32-H51 IonicContact OE2-CG 3.56Å; E32-H51 IonicContact OE2-ND1 2.67Å; E32-H51 PolarHBondContact OE2-ND1 3.45Å; K35-H51 HydrophobicContact CB-CB 4.47Å; V36-H51 VanDerWaalsContact CG2-C 3.45Å; V36-H51 HydrophobicContact CG2-CB 3.46Å; V36-H51 VanDerWaalsContact CG2-CB 3.46Å; V47-H51 PolarHBondContact O-CD2 3.45Å; V47-H51 PolarHBondContact O-N 3.16Å; V47-H51 VanDerWaalsContact O-N 3.13Å; R49-H51 PolarHBondContact O-N 3.13Å; H51-A55 WeakPolarHBondContact O-CB 3.41Å; H51-A55 PolarHBondContact O-N 3.35Å |
| 52 | A | 91.9 | Very high | 91.7 | Very high | 36 Ų | 36 | 80.3 Ų | 80.3 | 30% | 0.298 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.8 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V36 A48 R49 I50 N54 A55 I56 | V36-A52 HydrophobicContact CG2-CB 4.03Å; V36-A52 VanDerWaalsContact CG2-N 3.32Å; A48-A52 VanDerWaalsContact O-CB 3.3Å; A48-A52 WeakPolarHBondContact O-CB 3.47Å; A48-A52 PolarHBondContact O-N 3.12Å; R49-A52 WeakPolarHBondContact O-CB 3.42Å; R49-A52 PolarHBondContact O-N 3.45Å; R49-A52 VanDerWaalsContact O-N 3.16Å; I50-A52 VanDerWaalsContact C-N 3.3Å; I50-A52 PolarHBondContact O-N 3.29Å; A52-N54 VanDerWaalsContact C-N 3.35Å; A52-N54 PolarHBondContact O-N 3.41Å; A52-A55 WeakPolarHBondContact O-CB 3.47Å; A52-A55 PolarHBondContact O-N 3.27Å; A52-I56 WeakPolarHBondContact O-CG1 3.46Å; A52-I56 PolarHBondContact O-N 3.12Å |
| 53 | E | 92.9 | Very high | 91.8 | Very high | 118 Ų | 118 | 75.7 Ų | 75.7 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 173.6 | -74.1 | 174.8 | -164.5 | 0 | 0 | 111.5 | R49 I50 A55 I56 R57 | R49-E53 PolarHBondContact O-N 2.89Å; I50-E53 PolarHBondContact O-N 3.46Å; E53-A55 VanDerWaalsContact C-N 3.32Å; E53-A55 PolarHBondContact O-N 2.82Å; E53-I56 PolarHBondContact O-N 3.42Å; E53-R57 WeakPolarHBondContact O-CB 3.48Å; E53-R57 PolarHBondContact O-N 2.98Å |
| 54 | N | 90.7 | Very high | 92 | Very high | 40 Ų | 40 | 77.6 Ų | 77.6 | 21% | 0.214 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 175.3 | -76.4 | -30.1 | 0 | 0 | 0 | 112.2 | E32 I50 A52 R57 Q58 | E32-N54 HydrophobicContact CG-CB 4.25Å; I50-N54 PolarHBondContact O-N 3.47Å; I50-N54 PolarHBondContact O-ND2 2.93Å; A52-N54 VanDerWaalsContact C-N 3.35Å; A52-N54 PolarHBondContact O-N 3.41Å; N54-R57 PolarHBondContact O-N 3.46Å; N54-R57 PolarHBondContact OD1-NH2 2.95Å; N54-Q58 VanDerWaalsContact O-CG 3.28Å; N54-Q58 WeakPolarHBondContact O-CG 3.37Å; N54-Q58 PolarHBondContact O-N 3.44Å |
| 55 | A | 92.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 76 Ų | 76 | 5% | 0.05 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E29 E32 K33 H51 A52 E53 Q58 K59 | E29-A55 HydrophobicContact CG-CB 4.4Å; E29-A55 WeakPolarHBondContact CG-O 3.17Å; E32-A55 HydrophobicContact CB-CB 3.9Å; K33-A55 HydrophobicContact CG-CB 4.18Å; H51-A55 WeakPolarHBondContact O-CB 3.41Å; H51-A55 PolarHBondContact O-N 3.35Å; A52-A55 WeakPolarHBondContact O-CB 3.47Å; A52-A55 PolarHBondContact O-N 3.27Å; E53-A55 VanDerWaalsContact C-N 3.32Å; E53-A55 PolarHBondContact O-N 2.82Å; A55-Q58 PolarHBondContact O-N 2.91Å; A55-K59 PolarHBondContact O-N 3.45Å |
| 56 | I | 93.8 | Very high | 92.4 | Very high | 104 Ų | 104 | 75.4 Ų | 75.4 | 53% | 0.533 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.3 | -66.9 | 170.8 | 0 | 0 | 0 | 110.7 | A52 E53 Q58 K59 N60 | A52-I56 WeakPolarHBondContact O-CG1 3.46Å; A52-I56 PolarHBondContact O-N 3.12Å; E53-I56 PolarHBondContact O-N 3.42Å; I56-Q58 VanDerWaalsContact C-N 3.32Å; I56-Q58 PolarHBondContact O-N 2.94Å; I56-K59 PolarHBondContact O-N 2.94Å; I56-N60 PolarHBondContact O-N 3.33Å |
| 57 | R | 94.3 | Very high | 92.6 | Very high | 133 Ų | 133 | 74.3 Ų | 74.3 | 50% | 0.502 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 176.1 | -174.7 | 179.7 | 67.2 | -158.7 | -6.8 | 111.3 | E53 N54 N60 Q61 | E53-R57 WeakPolarHBondContact O-CB 3.48Å; E53-R57 PolarHBondContact O-N 2.98Å; N54-R57 PolarHBondContact O-N 3.46Å; N54-R57 PolarHBondContact OD1-NH2 2.95Å; R57-N60 PolarHBondContact O-N 2.86Å; R57-Q61 WeakPolarHBondContact O-CB 3.35Å; R57-Q61 WeakPolarHBondContact O-CG 3.38Å; R57-Q61 PolarHBondContact O-N 3.27Å |
| 58 | Q | 94.8 | Very high | 92.9 | Very high | 22 Ų | 22 | 75.5 Ų | 75.5 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 179.6 | -71.3 | -71.3 | 24.5 | 0 | 0 | 112.8 | C25 E28 E29 N54 A55 I56 N60 Q61 S62 | C25-Q58 PolarHBondContact SG-OE1 3.42Å; E28-Q58 HydrophobicContact CB-CG 4.4Å; E28-Q58 PolarHBondContact OE2-NE2 3.26Å; E29-Q58 HydrophobicContact CB-CB 4.06Å; N54-Q58 VanDerWaalsContact O-CG 3.28Å; N54-Q58 WeakPolarHBondContact O-CG 3.37Å; N54-Q58 PolarHBondContact O-N 3.44Å; A55-Q58 PolarHBondContact O-N 2.91Å; I56-Q58 VanDerWaalsContact C-N 3.32Å; I56-Q58 PolarHBondContact O-N 2.94Å; Q58-N60 PolarHBondContact O-N 3.13Å; Q58-Q61 PolarHBondContact O-N 3.27Å; Q58-Q61 VanDerWaalsContact OE1-OE1 3.08Å; Q58-S62 WeakPolarHBondContact O-CB 3.43Å; Q58-S62 PolarHBondContact O-N 2.97Å |
| 59 | K | 94.7 | Very high | 93.2 | Very high | 111 Ų | 111 | 75.6 Ų | 75.6 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 172.8 | -175.8 | 174.8 | 179.8 | 174.9 | 0 | 111.4 | E29 A55 I56 S62 V63 | E29-K59 HydrophobicContact CG-CB 4.15Å; A55-K59 PolarHBondContact O-N 3.45Å; I56-K59 PolarHBondContact O-N 2.94Å; K59-S62 PolarHBondContact O-N 3.34Å; K59-V63 WeakPolarHBondContact O-CG2 3.36Å; K59-V63 PolarHBondContact O-N 2.87Å; K59-V63 VanDerWaalsContact O-N 3.1Å |
| 60 | N | 92.8 | Very high | 93.4 | Very high | 89 Ų | 89 | 71 Ų | 71 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 179.6 | -71.2 | -18.3 | 0 | 0 | 0 | 112.1 | I56 R57 Q58 V63 N64 | I56-N60 PolarHBondContact O-N 3.33Å; R57-N60 PolarHBondContact O-N 2.86Å; Q58-N60 PolarHBondContact O-N 3.13Å; N60-V63 PolarHBondContact O-N 3.24Å; N60-N64 WeakPolarHBondContact O-CB 3.28Å; N60-N64 PolarHBondContact O-N 3.45Å |
| 61 | Q | 92.6 | Very high | 93.4 | Very high | 80 Ų | 80 | 74.7 Ų | 74.7 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 174.4 | -77.7 | -179.1 | -22.5 | 0 | 0 | 112 | R57 Q58 V63 N64 F65 | R57-Q61 WeakPolarHBondContact O-CB 3.35Å; R57-Q61 WeakPolarHBondContact O-CG 3.38Å; R57-Q61 PolarHBondContact O-N 3.27Å; Q58-Q61 PolarHBondContact O-N 3.27Å; Q58-Q61 VanDerWaalsContact OE1-OE1 3.08Å; Q61-V63 PolarHBondContact O-N 2.93Å; Q61-N64 PolarHBondContact O-N 3.41Å; Q61-F65 HydrophobicContact CB-CE2 4.45Å; Q61-F65 VanDerWaalsContact O-CD2 3.28Å; Q61-F65 WeakPolarHBondContact O-CD2 3.45Å; Q61-F65 WeakPolarHBondContact O-CG 3.28Å; Q61-F65 PolarHBondContact O-N 3.38Å |
| 62 | S | 94.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 3% | 0.028 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 175.9 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | S22 D26 Q58 K59 N64 F65 L66 | S22-S62 PolarHBondContact O-OG 2.84Å; S22-S62 VanDerWaalsContact O-OG 3.11Å; S22-S62 PolarHBondContact OG-O 3.08Å; S22-S62 PolarHBondContact OG-OG 2.89Å; D26-S62 VanDerWaalsContact CG-OG 3.23Å; D26-S62 WeakPolarHBondContact OD1-CB 3.36Å; D26-S62 PolarHBondContact OD1-OG 3.16Å; Q58-S62 WeakPolarHBondContact O-CB 3.43Å; Q58-S62 PolarHBondContact O-N 2.97Å; K59-S62 PolarHBondContact O-N 3.34Å; S62-N64 VanDerWaalsContact C-N 3.31Å; S62-N64 PolarHBondContact O-N 3.34Å; S62-F65 PolarHBondContact O-N 3.45Å; S62-L66 WeakPolarHBondContact O-CB 3.3Å; S62-L66 PolarHBondContact O-N 2.87Å |
| 63 | V | 94.4 | Very high | 93.7 | Very high | 68 Ų | 68 | 77 Ų | 77 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | K59 N60 Q61 L66 R67 | K59-V63 WeakPolarHBondContact O-CG2 3.36Å; K59-V63 PolarHBondContact O-N 2.87Å; K59-V63 VanDerWaalsContact O-N 3.1Å; N60-V63 PolarHBondContact O-N 3.24Å; Q61-V63 PolarHBondContact O-N 2.93Å; V63-L66 PolarHBondContact O-N 2.81Å; V63-R67 WeakPolarHBondContact O-CB 3.39Å; V63-R67 PolarHBondContact O-N 3.03Å |
| 64 | N | 93.3 | Very high | 93.6 | Very high | 93 Ų | 93 | 73.9 Ų | 73.9 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 177.2 | -79.7 | -16.4 | 0 | 0 | 0 | 112.3 | N60 Q61 S62 R67 M68 | N60-N64 WeakPolarHBondContact O-CB 3.28Å; N60-N64 PolarHBondContact O-N 3.45Å; Q61-N64 PolarHBondContact O-N 3.41Å; S62-N64 VanDerWaalsContact C-N 3.31Å; S62-N64 PolarHBondContact O-N 3.34Å; N64-R67 PolarHBondContact O-N 2.95Å; N64-M68 WeakPolarHBondContact O-CB 3.42Å; N64-M68 PolarHBondContact O-N 3.21Å |
| 65 | F | 94.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 75.5 Ų | 75.5 | 26% | 0.259 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 175 | -74.5 | -42.3 | 0 | 0 | 0 | 112.2 | L18 N21 Q61 S62 M68 S69 | L18-F65 HydrophobicContact CD2-CD1 3.74Å; L18-F65 HydrophobicContact CD2-CE1 4.16Å; N21-F65 HydrophobicContact CB-CD2 4.08Å; N21-F65 HydrophobicContact CB-CE2 4.21Å; N21-F65 HydrophobicContact CB-CG 4.4Å; Q61-F65 HydrophobicContact CB-CE2 4.45Å; Q61-F65 VanDerWaalsContact O-CD2 3.28Å; Q61-F65 WeakPolarHBondContact O-CD2 3.45Å; Q61-F65 WeakPolarHBondContact O-CG 3.28Å; Q61-F65 PolarHBondContact O-N 3.38Å; S62-F65 PolarHBondContact O-N 3.45Å; F65-M68 HydrophobicContact CD1-CE 4.32Å; F65-M68 PolarHBondContact O-N 3.23Å; F65-S69 VanDerWaalsContact O-CB 3.3Å; F65-S69 WeakPolarHBondContact O-CB 3.46Å; F65-S69 PolarHBondContact O-N 3.18Å |
| 66 | L | 93.8 | Very high | 93.8 | Very high | 91 Ų | 91 | 75.2 Ų | 75.2 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 176.6 | -174.2 | 62.5 | 0 | 0 | 0 | 111.6 | S62 V63 M68 S69 A70 | S62-L66 WeakPolarHBondContact O-CB 3.3Å; S62-L66 PolarHBondContact O-N 2.87Å; V63-L66 PolarHBondContact O-N 2.81Å; L66-M68 PolarHBondContact O-N 3.21Å; L66-S69 WeakPolarHBondContact O-CB 3.35Å; L66-S69 PolarHBondContact O-N 3.5Å; L66-A70 PolarHBondContact O-N 3.02Å |
| 67 | R | 94.2 | Very high | 93.8 | Very high | 135 Ų | 135 | 73.6 Ų | 73.6 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 176.1 | -173.2 | -177.3 | -66.5 | 161.1 | -2.1 | 111.7 | V63 N64 A70 R71 | V63-R67 WeakPolarHBondContact O-CB 3.39Å; V63-R67 PolarHBondContact O-N 3.03Å; N64-R67 PolarHBondContact O-N 2.95Å; R67-A70 PolarHBondContact O-N 3.44Å; R67-R71 WeakPolarHBondContact O-CG 3.49Å; R67-R71 PolarHBondContact O-N 3.39Å; R67-R71 VanDerWaalsContact O-N 3.12Å |
| 68 | M | 94.3 | Very high | 93.7 | Very high | 89 Ų | 89 | 76.7 Ų | 76.7 | 44% | 0.438 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 177.7 | -168.5 | 162 | 71 | 0 | 0 | 111.5 | L18 N64 F65 L66 A70 R71 I72 | L18-M68 HydrophobicContact CD1-CB 4.05Å; L18-M68 HydrophobicContact CD1-CE 3.53Å; L18-M68 HydrophobicContact CD1-CG 3.73Å; L18-M68 HydrophobicContact CD1-SD 4.4Å; L18-M68 HydrophobicContact CD2-CE 3.4Å; L18-M68 VanDerWaalsContact CD2-CE 3.4Å; L18-M68 HydrophobicContact CG-CE 4.12Å; N64-M68 WeakPolarHBondContact O-CB 3.42Å; N64-M68 PolarHBondContact O-N 3.21Å; F65-M68 HydrophobicContact CD1-CE 4.32Å; F65-M68 PolarHBondContact O-N 3.23Å; L66-M68 PolarHBondContact O-N 3.21Å; M68-A70 PolarHBondContact O-N 3.41Å; M68-R71 PolarHBondContact O-N 3.15Å; M68-I72 HydrophobicContact CG-CD1 4.19Å; M68-I72 WeakPolarHBondContact O-CG1 3.48Å; M68-I72 PolarHBondContact O-N 3.29Å |
| 69 | S | 94.9 | Very high | 93.5 | Very high | 10 Ų | 10 | 77.3 Ų | 77.3 | 7% | 0.07 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -55.4 | -49.9 | 172.7 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | A15 F65 L66 R71 I72 D73 | A15-S69 PolarHBondContact O-OG 3.3Å; F65-S69 VanDerWaalsContact O-CB 3.3Å; F65-S69 WeakPolarHBondContact O-CB 3.46Å; F65-S69 PolarHBondContact O-N 3.18Å; L66-S69 WeakPolarHBondContact O-CB 3.35Å; L66-S69 PolarHBondContact O-N 3.5Å; S69-R71 VanDerWaalsContact C-N 3.32Å; S69-R71 PolarHBondContact O-N 3.16Å; S69-I72 PolarHBondContact O-N 2.94Å; S69-D73 WeakPolarHBondContact O-CB 3.4Å; S69-D73 PolarHBondContact O-N 3.03Å |
| 70 | A | 93.3 | Very high | 93.4 | Very high | 61 Ų | 61 | 74.9 Ų | 74.9 | 50% | 0.504 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L66 R67 M68 A74 | L66-A70 PolarHBondContact O-N 3.02Å; R67-A70 PolarHBondContact O-N 3.44Å; M68-A70 PolarHBondContact O-N 3.41Å; A70-A74 WeakPolarHBondContact O-CB 3.36Å; A70-A74 PolarHBondContact O-N 3.49Å |
| 71 | R | 93.4 | Very high | 93.4 | Very high | 175 Ų | 175 | 75 Ų | 75 | 66% | 0.66 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | 175.9 | -71.9 | 174.9 | 178.9 | -172 | -1.8 | 112.1 | R67 M68 S69 A74 V75 | R67-R71 WeakPolarHBondContact O-CG 3.49Å; R67-R71 PolarHBondContact O-N 3.39Å; R67-R71 VanDerWaalsContact O-N 3.12Å; M68-R71 PolarHBondContact O-N 3.15Å; S69-R71 VanDerWaalsContact C-N 3.32Å; S69-R71 PolarHBondContact O-N 3.16Å; R71-A74 PolarHBondContact O-N 3.06Å; R71-V75 WeakPolarHBondContact O-CG2 3.31Å; R71-V75 PolarHBondContact O-N 3.02Å; R71-V75 VanDerWaalsContact O-N 3.12Å |
| 72 | I | 94.4 | Very high | 93.2 | Very high | 38 Ų | 38 | 73.7 Ų | 73.7 | 20% | 0.195 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 178.6 | -66.6 | -179.4 | 0 | 0 | 0 | 110.6 | L11 A15 L18 M68 S69 A74 V75 A76 | L11-I72 HydrophobicContact CB-CG2 4.31Å; L11-I72 HydrophobicContact CD2-CG2 3.94Å; L11-I72 VanDerWaalsContact O-CG2 3.28Å; L11-I72 WeakPolarHBondContact O-CG2 3.33Å; A15-I72 HydrophobicContact CB-CB 4.22Å; A15-I72 HydrophobicContact CB-CG2 3.9Å; L18-I72 HydrophobicContact CD1-CD1 3.56Å; M68-I72 HydrophobicContact CG-CD1 4.19Å; M68-I72 WeakPolarHBondContact O-CG1 3.48Å; M68-I72 PolarHBondContact O-N 3.29Å; S69-I72 PolarHBondContact O-N 2.94Å; I72-A74 PolarHBondContact O-N 3.45Å; I72-V75 PolarHBondContact O-N 3.36Å; I72-A76 WeakPolarHBondContact O-CB 3.47Å; I72-A76 PolarHBondContact O-N 3.36Å |
| 73 | D | 92.8 | Very high | 93 | Very high | 91 Ų | 91 | 73.9 Ų | 73.9 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 178.2 | -165.9 | 50.5 | 0 | 0 | 0 | 111.9 | A15 S69 V75 A76 S77 | A15-D73 HydrophobicContact CB-CB 4.22Å; S69-D73 WeakPolarHBondContact O-CB 3.4Å; S69-D73 PolarHBondContact O-N 3.03Å; D73-V75 VanDerWaalsContact C-N 3.34Å; D73-V75 PolarHBondContact O-N 3.31Å; D73-A76 WeakPolarHBondContact O-CB 3.47Å; D73-A76 PolarHBondContact O-N 2.91Å; D73-S77 PolarHBondContact O-N 3.32Å |
| 74 | A | 92.6 | Very high | 92.8 | Very high | 53 Ų | 53 | 73.9 Ų | 73.9 | 44% | 0.438 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A70 R71 I72 S77 R78 | A70-A74 WeakPolarHBondContact O-CB 3.36Å; A70-A74 PolarHBondContact O-N 3.49Å; R71-A74 PolarHBondContact O-N 3.06Å; I72-A74 PolarHBondContact O-N 3.45Å; A74-S77 PolarHBondContact O-N 2.87Å; A74-R78 PolarHBondContact O-N 3.02Å |
| 75 | V | 93.6 | Very high | 92.6 | Very high | 73 Ų | 73 | 75.2 Ų | 75.2 | 44% | 0.442 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 175.2 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L11 R71 I72 D73 S77 R78 V79 | L11-V75 HydrophobicContact CD1-CG1 4.37Å; R71-V75 WeakPolarHBondContact O-CG2 3.31Å; R71-V75 PolarHBondContact O-N 3.02Å; R71-V75 VanDerWaalsContact O-N 3.12Å; I72-V75 PolarHBondContact O-N 3.36Å; D73-V75 VanDerWaalsContact C-N 3.34Å; D73-V75 PolarHBondContact O-N 3.31Å; V75-S77 VanDerWaalsContact C-N 3.29Å; V75-S77 PolarHBondContact O-N 2.97Å; V75-R78 PolarHBondContact O-N 3.4Å; V75-V79 HydrophobicContact CG1-CG2 4.37Å; V75-V79 WeakPolarHBondContact O-CG2 3.08Å; V75-V79 PolarHBondContact O-N 3.26Å |
| 76 | A | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L8 L11 K12 I72 D73 V79 Q80 | L8-A76 HydrophobicContact CD1-CB 4.18Å; L8-A76 WeakPolarHBondContact CD1-O 3.38Å; L11-A76 HydrophobicContact CB-CB 3.97Å; K12-A76 HydrophobicContact CG-CB 3.92Å; I72-A76 WeakPolarHBondContact O-CB 3.47Å; I72-A76 PolarHBondContact O-N 3.36Å; D73-A76 WeakPolarHBondContact O-CB 3.47Å; D73-A76 PolarHBondContact O-N 2.91Å; A76-V79 PolarHBondContact O-N 3.42Å; A76-Q80 WeakPolarHBondContact O-CB 3.2Å; A76-Q80 PolarHBondContact O-N 2.88Å |
| 77 | S | 92.6 | Very high | 92.1 | Very high | 70 Ų | 70 | 77.3 Ų | 77.3 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 175.6 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | D73 A74 V75 V79 Q80 T81 | D73-S77 PolarHBondContact O-N 3.32Å; A74-S77 PolarHBondContact O-N 2.87Å; V75-S77 VanDerWaalsContact C-N 3.29Å; V75-S77 PolarHBondContact O-N 2.97Å; S77-V79 VanDerWaalsContact C-N 3.35Å; S77-V79 PolarHBondContact O-N 3.3Å; S77-Q80 WeakPolarHBondContact O-CB 3.25Å; S77-Q80 PolarHBondContact O-N 2.89Å; S77-T81 PolarHBondContact O-N 3.25Å; S77-T81 PolarHBondContact O-OG1 3.01Å |
| 78 | R | 91.6 | Very high | 92 | Very high | 198 Ų | 198 | 74 Ų | 74 | 75% | 0.747 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 175.1 | -69.9 | -180 | 179.8 | 177.6 | -0.4 | 112.5 | A74 V75 Q80 T81 A82 | A74-R78 PolarHBondContact O-N 3.02Å; V75-R78 PolarHBondContact O-N 3.4Å; R78-Q80 VanDerWaalsContact C-N 3.35Å; R78-T81 PolarHBondContact O-N 3.03Å; R78-A82 PolarHBondContact O-N 3.09Å |
| 79 | V | 92.1 | Very high | 91.9 | Very high | 35 Ų | 35 | 73.5 Ų | 73.5 | 21% | 0.212 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.4 | 174.6 | 0 | 0 | 0 | 0 | 111 | M4 L8 L11 V75 A76 S77 T81 A82 V83 | M4-V79 HydrophobicContact CG-CG1 4.06Å; L8-V79 HydrophobicContact CB-CG1 4.05Å; L8-V79 HydrophobicContact CD1-CB 4.11Å; L8-V79 HydrophobicContact CD1-CG1 4.05Å; L8-V79 HydrophobicContact CG-CG1 4.48Å; L11-V79 HydrophobicContact CD1-CG2 4.33Å; V75-V79 HydrophobicContact CG1-CG2 4.37Å; V75-V79 WeakPolarHBondContact O-CG2 3.08Å; V75-V79 PolarHBondContact O-N 3.26Å; A76-V79 PolarHBondContact O-N 3.42Å; S77-V79 VanDerWaalsContact C-N 3.35Å; S77-V79 PolarHBondContact O-N 3.3Å; V79-T81 PolarHBondContact O-N 3.47Å; V79-A82 PolarHBondContact O-N 2.93Å; V79-V83 HydrophobicContact CG1-CG2 4.31Å; V79-V83 VanDerWaalsContact O-CG2 3.31Å; V79-V83 WeakPolarHBondContact O-CG2 3.42Å; V79-V83 PolarHBondContact O-N 2.92Å |
| 80 | Q | 91.8 | Very high | 91.7 | Very high | 60 Ų | 60 | 80.1 Ų | 80.1 | 28% | 0.28 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.6 | -47 | 174.9 | 179.9 | 69.7 | 72.8 | 0 | 0 | 111.3 | L8 A76 S77 R78 A82 V83 T84 | L8-Q80 HydrophobicContact CD1-CB 4.09Å; L8-Q80 HydrophobicContact CD2-CB 3.97Å; L8-Q80 HydrophobicContact CD2-CG 4.41Å; L8-Q80 VanDerWaalsContact CD2-OE1 3.31Å; A76-Q80 WeakPolarHBondContact O-CB 3.2Å; A76-Q80 PolarHBondContact O-N 2.88Å; S77-Q80 WeakPolarHBondContact O-CB 3.25Å; S77-Q80 PolarHBondContact O-N 2.89Å; R78-Q80 VanDerWaalsContact C-N 3.35Å; Q80-A82 VanDerWaalsContact C-N 3.35Å; Q80-A82 PolarHBondContact O-N 3.18Å; Q80-V83 PolarHBondContact O-N 3.11Å; Q80-T84 PolarHBondContact O-N 3.48Å; Q80-T84 PolarHBondContact O-OG1 3.49Å; Q80-T84 VanDerWaalsContact O-OG1 3.09Å |
| 81 | T | 92.6 | Very high | 91.6 | Very high | 92 Ų | 92 | 81 Ų | 81 | 56% | 0.564 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.4 | -46.2 | 176 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | S77 R78 V79 V83 T84 M85 | S77-T81 PolarHBondContact O-N 3.25Å; S77-T81 PolarHBondContact O-OG1 3.01Å; R78-T81 PolarHBondContact O-N 3.03Å; V79-T81 PolarHBondContact O-N 3.47Å; T81-V83 VanDerWaalsContact C-N 3.35Å; T81-V83 PolarHBondContact O-N 3.4Å; T81-T84 PolarHBondContact O-N 3.37Å; T81-M85 WeakPolarHBondContact O-CB 3.42Å; T81-M85 PolarHBondContact O-N 2.83Å |
| 82 | A | 89.4 | Confident | 91.4 | Very high | 52 Ų | 52 | 78.4 Ų | 78.4 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R78 V79 Q80 M85 N86 | R78-A82 PolarHBondContact O-N 3.09Å; V79-A82 PolarHBondContact O-N 2.93Å; Q80-A82 VanDerWaalsContact C-N 3.35Å; Q80-A82 PolarHBondContact O-N 3.18Å; A82-M85 PolarHBondContact O-N 2.84Å; A82-N86 WeakPolarHBondContact O-CB 3.39Å; A82-N86 PolarHBondContact O-N 2.94Å |
| 83 | V | 89.9 | Confident | 91.3 | Very high | 8 Ų | 8 | 79 Ų | 79 | 5% | 0.048 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 175.9 | 167.4 | 0 | 0 | 0 | 0 | 111.2 | M4 D5 L8 V79 Q80 T81 N86 K87 | M4-V83 HydrophobicContact CB-CG2 4.08Å; M4-V83 HydrophobicContact CG-CG2 3.49Å; M4-V83 VanDerWaalsContact CG-CG2 3.49Å; M4-V83 HydrophobicContact SD-CG2 3.8Å; D5-V83 WeakPolarHBondContact OD1-CG1 3.47Å; L8-V83 HydrophobicContact CD2-CG2 4.33Å; V79-V83 HydrophobicContact CG1-CG2 4.31Å; V79-V83 VanDerWaalsContact O-CG2 3.31Å; V79-V83 WeakPolarHBondContact O-CG2 3.42Å; V79-V83 PolarHBondContact O-N 2.92Å; Q80-V83 PolarHBondContact O-N 3.11Å; T81-V83 VanDerWaalsContact C-N 3.35Å; T81-V83 PolarHBondContact O-N 3.4Å; V83-N86 PolarHBondContact O-N 3.19Å; V83-K87 HydrophobicContact CG1-CD 4.44Å; V83-K87 WeakPolarHBondContact O-CG 3.44Å; V83-K87 PolarHBondContact O-N 2.83Å; V83-K87 VanDerWaalsContact O-N 3.07Å |
| 84 | T | 89.4 | Confident | 91.2 | Very high | 69 Ų | 69 | 76.9 Ų | 76.9 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 177.7 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | Q80 T81 N86 K87 V88 | Q80-T84 PolarHBondContact O-N 3.48Å; Q80-T84 PolarHBondContact O-OG1 3.49Å; Q80-T84 VanDerWaalsContact O-OG1 3.09Å; T81-T84 PolarHBondContact O-N 3.37Å; T84-N86 VanDerWaalsContact C-N 3.31Å; T84-N86 PolarHBondContact O-N 3.38Å; T84-K87 WeakPolarHBondContact O-CB 3.35Å; T84-K87 PolarHBondContact O-N 2.99Å; T84-K87 VanDerWaalsContact O-N 3.11Å; T84-V88 WeakPolarHBondContact O-CG2 3.48Å; T84-V88 PolarHBondContact O-N 3.47Å |
| 85 | M | 90.4 | Very high | 91.1 | Very high | 121 Ų | 121 | 79.2 Ų | 79.2 | 60% | 0.596 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | 177.3 | -163.9 | 66.5 | 176.7 | 0 | 0 | 111.2 | T81 A82 K87 V88 T89 | T81-M85 WeakPolarHBondContact O-CB 3.42Å; T81-M85 PolarHBondContact O-N 2.83Å; A82-M85 PolarHBondContact O-N 2.84Å; M85-K87 VanDerWaalsContact C-N 3.31Å; M85-K87 PolarHBondContact O-N 3.39Å; M85-V88 PolarHBondContact O-N 3.38Å; M85-T89 PolarHBondContact O-N 3.28Å; M85-T89 PolarHBondContact O-OG1 3.07Å |
| 86 | N | 88.8 | Confident | 90.9 | Very high | 87 Ų | 87 | 80.1 Ų | 80.1 | 47% | 0.465 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 175.6 | -168.5 | -90 | 0 | 0 | 0 | 112.5 | A82 V83 T84 T89 K90 | A82-N86 WeakPolarHBondContact O-CB 3.39Å; A82-N86 PolarHBondContact O-N 2.94Å; V83-N86 PolarHBondContact O-N 3.19Å; T84-N86 VanDerWaalsContact C-N 3.31Å; T84-N86 PolarHBondContact O-N 3.38Å; N86-T89 PolarHBondContact O-N 2.95Å; N86-K90 PolarHBondContact O-N 3.2Å |
| 87 | K | 89.5 | Confident | 90.8 | Very high | 106 Ų | 106 | 87.8 Ų | 87.8 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.5 | -72 | 172 | -175.1 | 168.5 | 0 | 111 | D5 V83 T84 M85 K90 S91 | D5-K87 IonicContact OD1-NZ 3.38Å; D5-K87 PolarHBondContact OD1-NZ 3.46Å; D5-K87 VanDerWaalsContact OD1-NZ 3.11Å; V83-K87 HydrophobicContact CG1-CD 4.44Å; V83-K87 WeakPolarHBondContact O-CG 3.44Å; V83-K87 PolarHBondContact O-N 2.83Å; V83-K87 VanDerWaalsContact O-N 3.07Å; T84-K87 WeakPolarHBondContact O-CB 3.35Å; T84-K87 PolarHBondContact O-N 2.99Å; T84-K87 VanDerWaalsContact O-N 3.11Å; M85-K87 VanDerWaalsContact C-N 3.31Å; M85-K87 PolarHBondContact O-N 3.39Å; K87-K90 PolarHBondContact O-N 2.65Å; K87-S91 PolarHBondContact O-N 3.05Å; K87-S91 PolarHBondContact O-OG 3.28Å |
| 88 | V | 91.8 | Very high | 90.5 | Very high | 67 Ų | 67 | 86.1 Ų | 86.1 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60 | -48.5 | 175.4 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | T84 M85 K90 S91 M92 | T84-V88 WeakPolarHBondContact O-CG2 3.48Å; T84-V88 PolarHBondContact O-N 3.47Å; M85-V88 PolarHBondContact O-N 3.38Å; V88-K90 VanDerWaalsContact C-N 3.31Å; V88-K90 PolarHBondContact O-N 2.97Å; V88-S91 PolarHBondContact O-N 3.11Å; V88-S91 VanDerWaalsContact O-N 3.14Å; V88-M92 HydrophobicContact CG1-CG 4.25Å; V88-M92 HydrophobicContact CG1-SD 3.95Å; V88-M92 WeakPolarHBondContact O-CG 3.33Å; V88-M92 PolarHBondContact O-N 3.26Å |
| 89 | T | 91.1 | Very high | 90.1 | Very high | 78 Ų | 78 | 82.1 Ų | 82.1 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 177.6 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | M85 N86 M92 A93 | M85-T89 PolarHBondContact O-N 3.28Å; M85-T89 PolarHBondContact O-OG1 3.07Å; N86-T89 PolarHBondContact O-N 2.95Å; T89-M92 PolarHBondContact O-N 3.3Å; T89-A93 WeakPolarHBondContact O-CB 3.29Å; T89-A93 PolarHBondContact O-N 2.94Å |
| 90 | K | 90.6 | Very high | 89.6 | Confident | 148 Ų | 148 | 84.9 Ų | 84.9 | 64% | 0.643 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | 175.1 | -84.1 | -174.2 | 177.3 | -176.6 | 0 | 112.4 | N86 K87 V88 A93 G94 | N86-K90 PolarHBondContact O-N 3.2Å; K87-K90 PolarHBondContact O-N 2.65Å; V88-K90 VanDerWaalsContact C-N 3.31Å; V88-K90 PolarHBondContact O-N 2.97Å; K90-A93 PolarHBondContact O-N 2.97Å; K90-G94 PolarHBondContact O-N 3.43Å |
| 91 | S | 91.7 | Very high | 89.2 | Confident | 81 Ų | 81 | 85 Ų | 85 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.7 | -46.8 | 176.6 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | K87 V88 A93 G94 V95 | K87-S91 PolarHBondContact O-N 3.05Å; K87-S91 PolarHBondContact O-OG 3.28Å; V88-S91 PolarHBondContact O-N 3.11Å; V88-S91 VanDerWaalsContact O-N 3.14Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-A93 PolarHBondContact O-N 2.89Å; S91-G94 PolarHBondContact O-N 3.38Å; S91-G94 VanDerWaalsContact O-N 3.13Å; S91-V95 WeakPolarHBondContact O-CG2 3.17Å; S91-V95 PolarHBondContact O-N 3Å |
| 92 | M | 89.1 | Confident | 88.5 | Confident | 120 Ų | 120 | 83.9 Ų | 83.9 | 59% | 0.591 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.5 | -42 | 175.9 | -70.3 | -178.5 | 84.8 | 0 | 0 | 111.7 | V88 T89 G94 V95 V96 | V88-M92 HydrophobicContact CG1-CG 4.25Å; V88-M92 HydrophobicContact CG1-SD 3.95Å; V88-M92 WeakPolarHBondContact O-CG 3.33Å; V88-M92 PolarHBondContact O-N 3.26Å; T89-M92 PolarHBondContact O-N 3.3Å; M92-G94 VanDerWaalsContact C-N 3.28Å; M92-G94 PolarHBondContact O-N 3.26Å; M92-V95 PolarHBondContact O-N 3.41Å; M92-V96 WeakPolarHBondContact O-CB 3.36Å; M92-V96 VanDerWaalsContact O-CG2 3.29Å; M92-V96 WeakPolarHBondContact O-CG2 3.45Å; M92-V96 PolarHBondContact O-N 2.89Å |
| 93 | A | 91.5 | Very high | 87.7 | Confident | 51 Ų | 51 | 85.5 Ų | 85.5 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -36 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T89 K90 S91 K97 | T89-A93 WeakPolarHBondContact O-CB 3.29Å; T89-A93 PolarHBondContact O-N 2.94Å; K90-A93 PolarHBondContact O-N 2.97Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-A93 PolarHBondContact O-N 2.89Å; A93-K97 WeakPolarHBondContact O-CB 3.4Å; A93-K97 WeakPolarHBondContact O-CG 3.37Å; A93-K97 PolarHBondContact O-N 3.2Å; A93-K97 VanDerWaalsContact O-N 3.12Å |
| 94 | G | 90.9 | Very high | 86.9 | Confident | 45 Ų | 45 | 93.5 Ų | 93.5 | 46% | 0.464 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K90 S91 M92 K97 G98 | K90-G94 PolarHBondContact O-N 3.43Å; S91-G94 PolarHBondContact O-N 3.38Å; S91-G94 VanDerWaalsContact O-N 3.13Å; M92-G94 VanDerWaalsContact C-N 3.28Å; M92-G94 PolarHBondContact O-N 3.26Å; G94-K97 PolarHBondContact O-N 3.37Å; G94-G98 PolarHBondContact O-N 2.83Å |
| 95 | V | 91.3 | Very high | 86 | Confident | 102 Ų | 102 | 94.8 Ų | 94.8 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 177.3 | 175 | 0 | 0 | 0 | 0 | 111.1 | S91 M92 K97 G98 M99 | S91-V95 WeakPolarHBondContact O-CG2 3.17Å; S91-V95 PolarHBondContact O-N 3Å; M92-V95 PolarHBondContact O-N 3.41Å; V95-K97 VanDerWaalsContact C-N 3.32Å; V95-K97 PolarHBondContact O-N 3.49Å; V95-G98 CarbonylContact O-C 3.56Å; V95-G98 PolarHBondContact O-N 2.82Å; V95-G98 VanDerWaalsContact O-N 3.15Å; V95-M99 WeakPolarHBondContact O-CB 3.48Å; V95-M99 PolarHBondContact O-N 3.14Å |
| 96 | V | 90.1 | Very high | 84.5 | Confident | 92 Ų | 92 | 91.5 Ų | 91.5 | 56% | 0.558 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.2 | -40.6 | 178.7 | 172 | 0 | 0 | 0 | 0 | 111.2 | M92 M99 D100 | M92-V96 WeakPolarHBondContact O-CB 3.36Å; M92-V96 VanDerWaalsContact O-CG2 3.29Å; M92-V96 WeakPolarHBondContact O-CG2 3.45Å; M92-V96 PolarHBondContact O-N 2.89Å; V96-M99 PolarHBondContact O-N 3.34Å; V96-D100 WeakPolarHBondContact O-CB 3.5Å; V96-D100 PolarHBondContact O-N 2.96Å |
| 97 | K | 90.3 | Very high | 83.2 | Confident | 161 Ų | 161 | 92.7 Ų | 92.7 | 70% | 0.7 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 173.9 | -77.5 | -178.9 | 178.7 | -176 | 0 | 112.7 | A93 G94 V95 M99 D100 A101 | A93-K97 WeakPolarHBondContact O-CB 3.4Å; A93-K97 WeakPolarHBondContact O-CG 3.37Å; A93-K97 PolarHBondContact O-N 3.2Å; A93-K97 VanDerWaalsContact O-N 3.12Å; G94-K97 PolarHBondContact O-N 3.37Å; V95-K97 VanDerWaalsContact C-N 3.32Å; V95-K97 PolarHBondContact O-N 3.49Å; K97-M99 VanDerWaalsContact C-N 3.31Å; K97-D100 PolarHBondContact O-N 3.22Å; K97-A101 PolarHBondContact O-N 2.97Å; K97-A101 VanDerWaalsContact O-N 3.08Å |
| 98 | G | 86.9 | Confident | 81.9 | Confident | 36 Ų | 36 | 94.4 Ų | 94.4 | 37% | 0.371 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G94 V95 T102 | G94-G98 PolarHBondContact O-N 2.83Å; V95-G98 CarbonylContact O-C 3.56Å; V95-G98 PolarHBondContact O-N 2.82Å; V95-G98 VanDerWaalsContact O-N 3.15Å; G98-T102 WeakPolarHBondContact O-CB 3.43Å; G98-T102 PolarHBondContact O-N 3.48Å; G98-T102 PolarHBondContact O-OG1 3.22Å |
| 99 | M | 81.9 | Confident | 80.5 | Confident | 113 Ų | 113 | 98.9 Ų | 98.9 | 56% | 0.557 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.1 | -43 | 176.6 | -163.2 | 175.6 | 106.7 | 0 | 0 | 111.5 | V95 V96 K97 A101 T102 L103 | V95-M99 WeakPolarHBondContact O-CB 3.48Å; V95-M99 PolarHBondContact O-N 3.14Å; V96-M99 PolarHBondContact O-N 3.34Å; K97-M99 VanDerWaalsContact C-N 3.31Å; M99-A101 PolarHBondContact O-N 3.13Å; M99-T102 PolarHBondContact O-N 3.05Å; M99-L103 HydrophobicContact CE-CD1 3.9Å; M99-L103 HydrophobicContact CG-CD1 4Å; M99-L103 HydrophobicContact CG-CG 4.35Å; M99-L103 VanDerWaalsContact O-CB 3.31Å; M99-L103 WeakPolarHBondContact O-CB 3.25Å; M99-L103 VanDerWaalsContact O-CG 3.28Å; M99-L103 WeakPolarHBondContact O-CG 3.36Å; M99-L103 PolarHBondContact O-N 2.92Å |
| 100 | D | 82.5 | Confident | 79.2 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.8 | -42.9 | 175.3 | -173.4 | 58.2 | 0 | 0 | 0 | 112 | V96 K97 K104 | V96-D100 WeakPolarHBondContact O-CB 3.5Å; V96-D100 PolarHBondContact O-N 2.96Å; K97-D100 PolarHBondContact O-N 3.22Å; D100-K104 PolarHBondContact O-N 3.33Å |
| 101 | A | 83.8 | Confident | 77.9 | Confident | 62 Ų | 62 | 97.6 Ų | 97.6 | 51% | 0.512 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K97 M99 S105 | K97-A101 PolarHBondContact O-N 2.97Å; K97-A101 VanDerWaalsContact O-N 3.08Å; M99-A101 PolarHBondContact O-N 3.13Å; A101-S105 PolarHBondContact O-N 2.86Å |
| 102 | T | 77 | Confident | 76.7 | Confident | 69 Ų | 69 | 97.3 Ų | 97.3 | 42% | 0.423 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.5 | -43.6 | 178.6 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | G98 M99 K104 S105 M106 | G98-T102 WeakPolarHBondContact O-CB 3.43Å; G98-T102 PolarHBondContact O-N 3.48Å; G98-T102 PolarHBondContact O-OG1 3.22Å; M99-T102 PolarHBondContact O-N 3.05Å; T102-K104 VanDerWaalsContact C-N 3.31Å; T102-K104 PolarHBondContact O-N 3.11Å; T102-S105 CarbonylContact O-C 3.6Å; T102-S105 WeakPolarHBondContact O-CA 3.21Å; T102-S105 PolarHBondContact O-N 3.12Å; T102-S105 PolarHBondContact O-OG 3.01Å; T102-M106 HydrophobicContact CG2-CG 4.32Å; T102-M106 HydrophobicContact CG2-SD 3.93Å; T102-M106 PolarHBondContact O-N 3.28Å |
| 103 | L | 72.8 | Confident | 76 | Confident | 87 Ų | 87 | 93.4 Ų | 93.4 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -34.6 | 176.5 | -76.2 | 168.5 | 0 | 0 | 0 | 112.3 | M99 S105 M106 I111 | M99-L103 HydrophobicContact CE-CD1 3.9Å; M99-L103 HydrophobicContact CG-CD1 4Å; M99-L103 HydrophobicContact CG-CG 4.35Å; M99-L103 VanDerWaalsContact O-CB 3.31Å; M99-L103 WeakPolarHBondContact O-CB 3.25Å; M99-L103 VanDerWaalsContact O-CG 3.28Å; M99-L103 WeakPolarHBondContact O-CG 3.36Å; M99-L103 PolarHBondContact O-N 2.92Å; L103-S105 PolarHBondContact O-N 3.03Å; L103-M106 PolarHBondContact O-N 3.38Å; L103-I111 HydrophobicContact CD2-CD1 4.37Å |
| 104 | K | 74.1 | Confident | 75 | Confident | 175 Ų | 175 | 95.3 Ų | 95.3 | 76% | 0.761 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.5 | -26.5 | 170.1 | -102.7 | 173 | 179.5 | 158.1 | 0 | 113.9 | D100 T102 | D100-K104 PolarHBondContact O-N 3.33Å; T102-K104 VanDerWaalsContact C-N 3.31Å; T102-K104 PolarHBondContact O-N 3.11Å |
| 105 | S | 69.3 | Low | 74.2 | Confident | 96 Ų | 96 | 98.4 Ų | 98.4 | 67% | 0.671 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -99.9 | -13.4 | -179.7 | 73.4 | 0 | 0 | 0 | 0 | 114.1 | A101 T102 L103 | A101-S105 PolarHBondContact O-N 2.86Å; T102-S105 CarbonylContact O-C 3.6Å; T102-S105 WeakPolarHBondContact O-CA 3.21Å; T102-S105 PolarHBondContact O-N 3.12Å; T102-S105 PolarHBondContact O-OG 3.01Å; L103-S105 PolarHBondContact O-N 3.03Å |
| 106 | M | 59.3 | Low | 73.5 | Confident | 53 Ų | 53 | 98.5 Ų | 98.5 | 26% | 0.261 | 54% | 0.536 | S | S | . | . | trans | -91.7 | 111.2 | 179.9 | -94.2 | 179.5 | 97.3 | 0 | 0 | 110.8 | T102 L103 I111 L114 | T102-M106 HydrophobicContact CG2-CG 4.32Å; T102-M106 HydrophobicContact CG2-SD 3.93Å; T102-M106 PolarHBondContact O-N 3.28Å; L103-M106 PolarHBondContact O-N 3.38Å; M106-I111 HydrophobicContact CB-CD1 4.39Å; M106-I111 HydrophobicContact CB-CG1 4.34Å; M106-I111 HydrophobicContact CE-CG1 3.71Å; M106-I111 HydrophobicContact SD-CG1 4.48Å; M106-L114 HydrophobicContact CE-CD2 3.69Å | ||
| 107 | N | 61.1 | Low | 72.9 | Confident | 111 Ų | 111 | 100.6 Ų | 100.6 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | trans | -70 | 140.6 | 169.6 | -154.3 | -13.8 | 0 | 0 | 0 | 109.8 | E109 K110 | N107-E109 PolarHBondContact O-N 3.44Å; N107-K110 PolarHBondContact O-N 2.95Å | ||
| 108 | L | 61.7 | Low | 72.1 | Confident | 142 Ų | 142 | 98.3 Ų | 98.3 | 74% | 0.743 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -54 | -30.3 | -173 | -78.5 | 159.6 | 0 | 0 | 0 | 113.7 | K110 I111 S112 | L108-K110 PolarHBondContact O-N 2.99Å; L108-I111 PolarHBondContact O-N 3.45Å; L108-S112 PolarHBondContact O-N 2.86Å |
| 109 | E | 64.3 | Low | 71.7 | Confident | 161 Ų | 161 | 103.2 Ų | 103.2 | 75% | 0.752 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.4 | -35.7 | 174.8 | -78.7 | 179.1 | 149.3 | 0 | 0 | 113.7 | N107 I111 G113 | N107-E109 PolarHBondContact O-N 3.44Å; E109-I111 VanDerWaalsContact C-N 3.31Å; E109-G113 PolarHBondContact O-N 3.46Å |
| 110 | K | 63.5 | Low | 71.6 | Confident | 155 Ų | 155 | 103.6 Ų | 103.6 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.9 | -22.2 | 176.9 | -72 | -175 | 178.8 | 178.8 | 0 | 112.4 | N107 L108 L114 | N107-K110 PolarHBondContact O-N 2.95Å; L108-K110 PolarHBondContact O-N 2.99Å; K110-L114 VanDerWaalsContact O-CB 3.31Å; K110-L114 WeakPolarHBondContact O-CB 3.42Å; K110-L114 PolarHBondContact O-N 2.77Å; K110-L114 VanDerWaalsContact O-N 3.14Å |
| 111 | I | 63.6 | Low | 71 | Confident | 45 Ų | 45 | 105.4 Ų | 105.4 | 23% | 0.231 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -73.2 | -40.8 | 174.8 | -66.9 | 176.5 | 0 | 0 | 0 | 110.1 | L103 M106 L108 E109 L114 M115 | L103-I111 HydrophobicContact CD2-CD1 4.37Å; M106-I111 HydrophobicContact CB-CD1 4.39Å; M106-I111 HydrophobicContact CB-CG1 4.34Å; M106-I111 HydrophobicContact CE-CG1 3.71Å; M106-I111 HydrophobicContact SD-CG1 4.48Å; L108-I111 PolarHBondContact O-N 3.45Å; E109-I111 VanDerWaalsContact C-N 3.31Å; I111-L114 PolarHBondContact O-N 3.39Å; I111-M115 HydrophobicContact CG2-CG 4.39Å; I111-M115 WeakPolarHBondContact O-CG 3.45Å; I111-M115 PolarHBondContact O-N 3.08Å |
| 112 | S | 65.5 | Low | 70.4 | Confident | 74 Ų | 74 | 107.4 Ų | 107.4 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 174.5 | -165.7 | 0 | 0 | 0 | 0 | 111.7 | L108 L114 M115 D116 | L108-S112 PolarHBondContact O-N 2.86Å; S112-L114 VanDerWaalsContact C-N 3.27Å; S112-L114 PolarHBondContact O-N 3.36Å; S112-M115 PolarHBondContact O-N 2.95Å; S112-D116 PolarHBondContact O-N 3.41Å; S112-D116 VanDerWaalsContact O-N 3.16Å |
| 113 | G | 74.6 | Confident | 70.5 | Confident | 39 Ų | 39 | 110.1 Ų | 110.1 | 40% | 0.402 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.4 | -19.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E109 K117 | E109-G113 PolarHBondContact O-N 3.46Å; G113-K117 PolarHBondContact O-N 3.38Å |
| 114 | L | 70.6 | Confident | 70.8 | Confident | 91 Ų | 91 | 109.5 Ų | 109.5 | 48% | 0.476 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -83.1 | -33.7 | 173.4 | -171 | 67.6 | 0 | 0 | 0 | 111.7 | M106 K110 I111 S112 K117 F118 | M106-L114 HydrophobicContact CE-CD2 3.69Å; K110-L114 VanDerWaalsContact O-CB 3.31Å; K110-L114 WeakPolarHBondContact O-CB 3.42Å; K110-L114 PolarHBondContact O-N 2.77Å; K110-L114 VanDerWaalsContact O-N 3.14Å; I111-L114 PolarHBondContact O-N 3.39Å; S112-L114 VanDerWaalsContact C-N 3.27Å; S112-L114 PolarHBondContact O-N 3.36Å; L114-K117 PolarHBondContact O-N 3.12Å; L114-F118 WeakPolarHBondContact O-CB 3.43Å; L114-F118 PolarHBondContact O-N 3.15Å |
| 115 | M | 73.3 | Confident | 71 | Confident | 110 Ų | 110 | 105.7 Ų | 105.7 | 54% | 0.542 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 173.6 | -74.2 | -66.2 | 144.2 | 0 | 0 | 111.3 | I111 S112 K117 F118 E119 | I111-M115 HydrophobicContact CG2-CG 4.39Å; I111-M115 WeakPolarHBondContact O-CG 3.45Å; I111-M115 PolarHBondContact O-N 3.08Å; S112-M115 PolarHBondContact O-N 2.95Å; M115-K117 VanDerWaalsContact C-N 3.3Å; M115-K117 PolarHBondContact O-N 3.17Å; M115-F118 PolarHBondContact O-N 2.96Å; M115-F118 VanDerWaalsContact O-N 3.13Å; M115-E119 WeakPolarHBondContact O-CB 3.33Å; M115-E119 PolarHBondContact O-N 3.38Å |
| 116 | D | 78.1 | Confident | 71.3 | Confident | 103 Ų | 103 | 105.7 Ų | 105.7 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.2 | -39.8 | 173.2 | -68.7 | -7.3 | 0 | 0 | 0 | 111.8 | S112 H120 | S112-D116 PolarHBondContact O-N 3.41Å; S112-D116 VanDerWaalsContact O-N 3.16Å; D116-H120 PolarHBondContact O-N 3.05Å |
| 117 | K | 76.1 | Confident | 72.4 | Confident | 137 Ų | 137 | 107.3 Ų | 107.3 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.1 | -32.9 | 175 | -96.6 | -179.7 | 177.1 | 175.7 | 0 | 113.4 | G113 L114 M115 Q121 | G113-K117 PolarHBondContact O-N 3.38Å; L114-K117 PolarHBondContact O-N 3.12Å; M115-K117 VanDerWaalsContact C-N 3.3Å; M115-K117 PolarHBondContact O-N 3.17Å; K117-Q121 WeakPolarHBondContact O-CB 3.49Å; K117-Q121 VanDerWaalsContact O-CG 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.5Å; K117-Q121 PolarHBondContact O-N 3.11Å |
| 118 | F | 74.5 | Confident | 73 | Confident | 113 Ų | 113 | 108.2 Ų | 108.2 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.4 | -44.9 | 177.1 | -179.2 | -93 | 0 | 0 | 0 | 110.3 | L114 M115 H120 Q121 F122 | L114-F118 WeakPolarHBondContact O-CB 3.43Å; L114-F118 PolarHBondContact O-N 3.15Å; M115-F118 PolarHBondContact O-N 2.96Å; M115-F118 VanDerWaalsContact O-N 3.13Å; F118-H120 VanDerWaalsContact C-N 3.34Å; F118-H120 PolarHBondContact O-N 3.4Å; F118-Q121 PolarHBondContact O-N 3.47Å; F118-F122 AromaticContact CE1-CD2 3.82Å; F118-F122 HydrophobicContact CE1-CD2 3.82Å; F118-F122 HydrophobicContact CE1-CE2 4.41Å; F118-F122 HydrophobicContact CE1-CG 4.4Å; F118-F122 HydrophobicContact CE2-CD2 4.25Å; F118-F122 AromaticContact CZ-CD2 3.58Å; F118-F122 HydrophobicContact CZ-CD2 3.58Å; F118-F122 AromaticContact CZ-CE2 3.92Å; F118-F122 HydrophobicContact CZ-CE2 3.92Å; F118-F122 WeakPolarHBondContact O-CB 3.28Å; F118-F122 PolarHBondContact O-N 2.87Å |
| 119 | E | 77.9 | Confident | 73.6 | Confident | 139 Ų | 139 | 104.5 Ų | 104.5 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.9 | -44.9 | 176.7 | -157.1 | 167.5 | -149.6 | 0 | 0 | 110.8 | M115 Q121 F122 E123 | M115-E119 WeakPolarHBondContact O-CB 3.33Å; M115-E119 PolarHBondContact O-N 3.38Å; E119-Q121 PolarHBondContact O-N 3.29Å; E119-F122 PolarHBondContact O-N 3.15Å; E119-E123 WeakPolarHBondContact O-CB 3.31Å; E119-E123 PolarHBondContact O-N 2.94Å |
| 120 | H | 80.6 | Confident | 74.2 | Confident | 121 Ų | 121 | 99.4 Ų | 99.4 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66 | -36.5 | 176.1 | -164.6 | 47.6 | 0 | 0 | 0 | 113.7 | D116 F118 T124 | D116-H120 PolarHBondContact O-N 3.05Å; F118-H120 VanDerWaalsContact C-N 3.34Å; F118-H120 PolarHBondContact O-N 3.4Å; H120-T124 WeakPolarHBondContact O-CB 3.4Å; H120-T124 PolarHBondContact O-N 3.47Å; H120-T124 VanDerWaalsContact O-N 3.11Å; H120-T124 PolarHBondContact O-OG1 3.36Å |
| 121 | Q | 69.3 | Low | 74.8 | Confident | 130 Ų | 130 | 98.2 Ų | 98.2 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.4 | -36.3 | 175.4 | -78.5 | 177.9 | 15.7 | 0 | 0 | 112.4 | K117 F118 E119 T124 L125 | K117-Q121 WeakPolarHBondContact O-CB 3.49Å; K117-Q121 VanDerWaalsContact O-CG 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.5Å; K117-Q121 PolarHBondContact O-N 3.11Å; F118-Q121 PolarHBondContact O-N 3.47Å; E119-Q121 PolarHBondContact O-N 3.29Å; Q121-T124 PolarHBondContact O-N 2.77Å; Q121-L125 WeakPolarHBondContact O-CB 3.15Å; Q121-L125 PolarHBondContact O-N 3.2Å |
| 122 | F | 71.7 | Confident | 75.5 | Confident | 105 Ų | 105 | 101.5 Ų | 101.5 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -42.3 | 178.1 | -142.9 | -88.6 | 0 | 0 | 0 | 110.9 | F118 E119 T124 L125 D126 | F118-F122 AromaticContact CE1-CD2 3.82Å; F118-F122 HydrophobicContact CE1-CD2 3.82Å; F118-F122 HydrophobicContact CE1-CE2 4.41Å; F118-F122 HydrophobicContact CE1-CG 4.4Å; F118-F122 HydrophobicContact CE2-CD2 4.25Å; F118-F122 AromaticContact CZ-CD2 3.58Å; F118-F122 HydrophobicContact CZ-CD2 3.58Å; F118-F122 AromaticContact CZ-CE2 3.92Å; F118-F122 HydrophobicContact CZ-CE2 3.92Å; F118-F122 WeakPolarHBondContact O-CB 3.28Å; F118-F122 PolarHBondContact O-N 2.87Å; E119-F122 PolarHBondContact O-N 3.15Å; F122-T124 VanDerWaalsContact C-N 3.3Å; F122-T124 PolarHBondContact O-N 3.47Å; F122-L125 PolarHBondContact O-N 3.42Å; F122-L125 VanDerWaalsContact O-N 3.11Å; F122-D126 PolarHBondContact O-N 3.41Å |
| 123 | E | 79.4 | Confident | 76 | Confident | 126 Ų | 126 | 104.3 Ų | 104.3 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.7 | -41.5 | 172.3 | -169.5 | 177.9 | -153.5 | 0 | 0 | 111.3 | E119 L125 V127 | E119-E123 WeakPolarHBondContact O-CB 3.31Å; E119-E123 PolarHBondContact O-N 2.94Å; E123-L125 PolarHBondContact O-N 2.7Å; E123-V127 WeakPolarHBondContact O-CB 3.39Å; E123-V127 VanDerWaalsContact O-CG2 3.23Å; E123-V127 WeakPolarHBondContact O-CG2 3.43Å; E123-V127 PolarHBondContact O-N 2.88Å |
| 124 | T | 79 | Confident | 76.2 | Confident | 74 Ų | 74 | 107.8 Ų | 107.8 | 45% | 0.454 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 174.4 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | H120 Q121 F122 Q128 | H120-T124 WeakPolarHBondContact O-CB 3.4Å; H120-T124 PolarHBondContact O-N 3.47Å; H120-T124 VanDerWaalsContact O-N 3.11Å; H120-T124 PolarHBondContact O-OG1 3.36Å; Q121-T124 PolarHBondContact O-N 2.77Å; F122-T124 VanDerWaalsContact C-N 3.3Å; F122-T124 PolarHBondContact O-N 3.47Å; T124-Q128 WeakPolarHBondContact O-CB 3Å; T124-Q128 PolarHBondContact O-N 2.76Å |
| 125 | L | 78.5 | Confident | 76.3 | Confident | 95 Ų | 95 | 107.5 Ų | 107.5 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.6 | -39.1 | -179.1 | -151.8 | 166.3 | 0 | 0 | 0 | 111.1 | Q121 F122 E123 Q128 T129 | Q121-L125 WeakPolarHBondContact O-CB 3.15Å; Q121-L125 PolarHBondContact O-N 3.2Å; F122-L125 PolarHBondContact O-N 3.42Å; F122-L125 VanDerWaalsContact O-N 3.11Å; E123-L125 PolarHBondContact O-N 2.7Å; L125-Q128 PolarHBondContact O-N 2.95Å; L125-T129 WeakPolarHBondContact CD2-OG1 3.4Å; L125-T129 VanDerWaalsContact O-CB 3.28Å; L125-T129 WeakPolarHBondContact O-CB 3.26Å; L125-T129 PolarHBondContact O-N 3.2Å; L125-T129 PolarHBondContact O-OG1 3.22Å |
| 126 | D | 74.6 | Confident | 76.2 | Confident | 95 Ų | 95 | 107.1 Ų | 107.1 | 51% | 0.508 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 173.9 | -79.3 | -14.2 | 0 | 0 | 0 | 110.9 | F122 T129 A130 | F122-D126 PolarHBondContact O-N 3.41Å; D126-T129 PolarHBondContact O-N 3.32Å; D126-A130 WeakPolarHBondContact O-CB 3.47Å; D126-A130 PolarHBondContact O-N 3.38Å |
| 127 | V | 82.3 | Confident | 75.8 | Confident | 88 Ų | 88 | 105.4 Ų | 105.4 | 53% | 0.533 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | E123 Q131 | E123-V127 WeakPolarHBondContact O-CB 3.39Å; E123-V127 VanDerWaalsContact O-CG2 3.23Å; E123-V127 WeakPolarHBondContact O-CG2 3.43Å; E123-V127 PolarHBondContact O-N 2.88Å; V127-Q131 VanDerWaalsContact O-CB 3.31Å; V127-Q131 WeakPolarHBondContact O-CB 3.49Å; V127-Q131 PolarHBondContact O-N 2.98Å |
| 128 | Q | 73.3 | Confident | 75.6 | Confident | 129 Ų | 129 | 103.2 Ų | 103.2 | 60% | 0.603 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.7 | -35.3 | 178 | -171.9 | 176 | 2.3 | 0 | 0 | 112.3 | T124 L125 M132 | T124-Q128 WeakPolarHBondContact O-CB 3Å; T124-Q128 PolarHBondContact O-N 2.76Å; L125-Q128 PolarHBondContact O-N 2.95Å; Q128-M132 WeakPolarHBondContact O-CB 3.34Å; Q128-M132 PolarHBondContact O-N 3.11Å |
| 129 | T | 75.3 | Confident | 75.1 | Confident | 65 Ų | 65 | 102.4 Ų | 102.4 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.6 | -44.8 | 177.1 | -58 | 0 | 0 | 0 | 0 | 110.2 | L125 D126 Q131 M132 E133 | L125-T129 WeakPolarHBondContact CD2-OG1 3.4Å; L125-T129 VanDerWaalsContact O-CB 3.28Å; L125-T129 WeakPolarHBondContact O-CB 3.26Å; L125-T129 PolarHBondContact O-N 3.2Å; L125-T129 PolarHBondContact O-OG1 3.22Å; D126-T129 PolarHBondContact O-N 3.32Å; T129-Q131 VanDerWaalsContact C-N 3.32Å; T129-Q131 PolarHBondContact O-N 2.85Å; T129-M132 PolarHBondContact O-N 2.76Å; T129-E133 VanDerWaalsContact O-CB 3.26Å; T129-E133 WeakPolarHBondContact O-CB 3.42Å; T129-E133 PolarHBondContact O-N 2.95Å |
| 130 | A | 75.9 | Confident | 74.3 | Confident | 53 Ų | 53 | 98.8 Ų | 98.8 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D126 E133 D134 | D126-A130 WeakPolarHBondContact O-CB 3.47Å; D126-A130 PolarHBondContact O-N 3.38Å; A130-E133 PolarHBondContact O-N 3.47Å; A130-D134 WeakPolarHBondContact O-CB 3.31Å; A130-D134 PolarHBondContact O-N 3.41Å |
| 131 | Q | 77.9 | Confident | 73.3 | Confident | 131 Ų | 131 | 96.8 Ų | 96.8 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.7 | -34.6 | 179.1 | -169.1 | 155.8 | 5.8 | 0 | 0 | 112.8 | V127 T129 T135 | V127-Q131 VanDerWaalsContact O-CB 3.31Å; V127-Q131 WeakPolarHBondContact O-CB 3.49Å; V127-Q131 PolarHBondContact O-N 2.98Å; T129-Q131 VanDerWaalsContact C-N 3.32Å; T129-Q131 PolarHBondContact O-N 2.85Å; Q131-T135 WeakPolarHBondContact O-CB 3.32Å; Q131-T135 PolarHBondContact O-N 2.89Å; Q131-T135 PolarHBondContact O-OG1 3.13Å |
| 132 | M | 76.6 | Confident | 72.9 | Confident | 113 Ų | 113 | 98.1 Ų | 98.1 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.4 | -41.7 | 173.1 | -179.2 | 170.3 | 161.7 | 0 | 0 | 111.2 | Q128 T129 T135 M136 | Q128-M132 WeakPolarHBondContact O-CB 3.34Å; Q128-M132 PolarHBondContact O-N 3.11Å; T129-M132 PolarHBondContact O-N 2.76Å; M132-T135 PolarHBondContact O-N 2.74Å; M132-M136 HydrophobicContact CE-CE 4.44Å; M132-M136 HydrophobicContact CE-SD 3.36Å; M132-M136 WeakPolarHBondContact CE-SD 3.19Å; M132-M136 HydrophobicContact CG-CG 4.22Å; M132-M136 HydrophobicContact CG-SD 3.73Å; M132-M136 VanDerWaalsContact O-CB 3.24Å; M132-M136 WeakPolarHBondContact O-CB 3.28Å; M132-M136 WeakPolarHBondContact O-CG 3.36Å; M132-M136 PolarHBondContact O-N 2.82Å; M132-M136 HydrophobicContact SD-SD 4.42Å |
| 133 | E | 76.7 | Confident | 72.4 | Confident | 134 Ų | 134 | 98.3 Ų | 98.3 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 175.9 | -173.3 | 137.4 | -164.2 | 0 | 0 | 111.4 | T129 A130 T135 M136 S137 | T129-E133 VanDerWaalsContact O-CB 3.26Å; T129-E133 WeakPolarHBondContact O-CB 3.42Å; T129-E133 PolarHBondContact O-N 2.95Å; A130-E133 PolarHBondContact O-N 3.47Å; E133-T135 PolarHBondContact O-N 3.36Å; E133-M136 PolarHBondContact O-N 3.42Å; E133-S137 WeakPolarHBondContact O-CA 3.24Å; E133-S137 WeakPolarHBondContact O-CB 3.27Å; E133-S137 PolarHBondContact O-N 3.04Å |
| 134 | D | 78.1 | Confident | 71.5 | Confident | 112 Ų | 112 | 95.4 Ų | 95.4 | 60% | 0.599 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.7 | -40.2 | 173.4 | -79.6 | -17.9 | 0 | 0 | 0 | 112.3 | A130 S138 | A130-D134 WeakPolarHBondContact O-CB 3.31Å; A130-D134 PolarHBondContact O-N 3.41Å; D134-S138 WeakPolarHBondContact O-CB 3.34Å; D134-S138 PolarHBondContact O-N 2.76Å; D134-S138 PolarHBondContact O-OG 3.27Å |
| 135 | T | 74 | Confident | 71.1 | Confident | 84 Ų | 84 | 93.8 Ų | 93.8 | 52% | 0.515 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.3 | -40 | 179.2 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | Q131 M132 E133 T139 | Q131-T135 WeakPolarHBondContact O-CB 3.32Å; Q131-T135 PolarHBondContact O-N 2.89Å; Q131-T135 PolarHBondContact O-OG1 3.13Å; M132-T135 PolarHBondContact O-N 2.74Å; E133-T135 PolarHBondContact O-N 3.36Å; T135-T139 PolarHBondContact O-N 2.91Å; T135-T139 VanDerWaalsContact O-N 3.13Å; T135-T139 PolarHBondContact O-OG1 3.1Å |
| 136 | M | 69.8 | Low | 70.5 | Confident | 103 Ų | 103 | 95.8 Ų | 95.8 | 51% | 0.507 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.9 | -39.8 | 176.9 | -73.1 | -179.1 | 78.1 | 0 | 0 | 111.9 | M132 E133 T139 T140 | M132-M136 HydrophobicContact CE-CE 4.44Å; M132-M136 HydrophobicContact CE-SD 3.36Å; M132-M136 WeakPolarHBondContact CE-SD 3.19Å; M132-M136 HydrophobicContact CG-CG 4.22Å; M132-M136 HydrophobicContact CG-SD 3.73Å; M132-M136 VanDerWaalsContact O-CB 3.24Å; M132-M136 WeakPolarHBondContact O-CB 3.28Å; M132-M136 WeakPolarHBondContact O-CG 3.36Å; M132-M136 PolarHBondContact O-N 2.82Å; M132-M136 HydrophobicContact SD-SD 4.42Å; E133-M136 PolarHBondContact O-N 3.42Å; M136-T139 PolarHBondContact O-N 3.28Å; M136-T140 VanDerWaalsContact O-CB 3.27Å; M136-T140 WeakPolarHBondContact O-CB 3.43Å; M136-T140 PolarHBondContact O-N 3.19Å; M136-T140 PolarHBondContact O-OG1 3.21Å |
| 137 | S | 70.2 | Confident | 70.3 | Confident | 66 Ų | 66 | 96.2 Ų | 96.2 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.4 | -51.1 | 172.6 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | E133 T139 T140 T141 | E133-S137 WeakPolarHBondContact O-CA 3.24Å; E133-S137 WeakPolarHBondContact O-CB 3.27Å; E133-S137 PolarHBondContact O-N 3.04Å; S137-T139 PolarHBondContact O-N 3.06Å; S137-T140 PolarHBondContact O-N 3.23Å; S137-T141 PolarHBondContact O-N 3.32Å; S137-T141 PolarHBondContact O-OG1 3.14Å |
| 138 | S | 71.1 | Confident | 69.7 | Low | 91 Ų | 91 | 98 Ų | 98 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.1 | -35.1 | 176.1 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | D134 | D134-S138 WeakPolarHBondContact O-CB 3.34Å; D134-S138 PolarHBondContact O-N 2.76Å; D134-S138 PolarHBondContact O-OG 3.27Å |
| 139 | T | 65.8 | Low | 69.7 | Low | 97 Ų | 97 | 94.9 Ų | 94.9 | 60% | 0.595 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -77.7 | -34.2 | 177.1 | -56.2 | 0 | 0 | 0 | 0 | 112.5 | T135 M136 S137 | T135-T139 PolarHBondContact O-N 2.91Å; T135-T139 VanDerWaalsContact O-N 3.13Å; T135-T139 PolarHBondContact O-OG1 3.1Å; M136-T139 PolarHBondContact O-N 3.28Å; S137-T139 PolarHBondContact O-N 3.06Å |
| 140 | T | 59.7 | Low | 69.6 | Low | 62 Ų | 62 | 96.4 Ų | 96.4 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -82.2 | -25.4 | -176 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | M136 S137 L142 T143 T144 | M136-T140 VanDerWaalsContact O-CB 3.27Å; M136-T140 WeakPolarHBondContact O-CB 3.43Å; M136-T140 PolarHBondContact O-N 3.19Å; M136-T140 PolarHBondContact O-OG1 3.21Å; S137-T140 PolarHBondContact O-N 3.23Å; T140-L142 PolarHBondContact O-N 3.43Å; T140-L142 VanDerWaalsContact O-N 3.1Å; T140-T143 PolarHBondContact O-N 2.93Å; T140-T143 PolarHBondContact O-OG1 2.89Å; T140-T144 PolarHBondContact O-N 3.28Å |
| 141 | T | 59.6 | Low | 69.7 | Low | 80 Ų | 80 | 97.5 Ų | 97.5 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27 | 173.1 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | S137 | S137-T141 PolarHBondContact O-N 3.32Å; S137-T141 PolarHBondContact O-OG1 3.14Å |
| 142 | L | 62 | Low | 69.6 | Low | 157 Ų | 157 | 95.8 Ų | 95.8 | 82% | 0.822 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -27.9 | 178 | -166.6 | 66.3 | 0 | 0 | 0 | 113.6 | T140 | T140-L142 PolarHBondContact O-N 3.43Å; T140-L142 VanDerWaalsContact O-N 3.1Å |
| 143 | T | 60.6 | Low | 69.5 | Low | 109 Ų | 109 | 96.8 Ų | 96.8 | 67% | 0.669 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -20.2 | -176.5 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | T140 | T140-T143 PolarHBondContact O-N 2.93Å; T140-T143 PolarHBondContact O-OG1 2.89Å |
| 144 | T | 60.2 | Low | 69.5 | Low | 66 Ų | 66 | 96 Ų | 96 | 41% | 0.405 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -132.2 | 80.9 | 179.4 | -45 | 0 | 0 | 0 | 0 | 109.1 | T140 Q146 V149 | T140-T144 PolarHBondContact O-N 3.28Å; T144-Q146 PolarHBondContact O-N 2.8Å; T144-V149 HydrophobicContact CG2-CG2 3.51Å |
| 145 | P | 70.4 | Confident | 69.2 | Low | 39 Ų | 39 | 97 Ų | 97 | 25% | 0.253 | 54% | 0.537 | S | S | . | . | trans | -60.3 | 131.8 | 179.5 | -24.3 | 35.7 | 0 | 0 | 0 | 111.5 | N147 Q148 V149 | P145-N147 WeakPolarHBondContact CB-OD1 3.26Å; P145-N147 PolarHBondContact O-N 2.82Å; P145-N147 VanDerWaalsContact O-N 3.11Å; P145-Q148 HydrophobicContact CB-CG 4.29Å; P145-Q148 PolarHBondContact O-N 3.35Å; P145-V149 PolarHBondContact O-N 2.73Å | ||
| 146 | Q | 65.7 | Low | 69.2 | Low | 138 Ų | 138 | 97.2 Ų | 97.2 | 65% | 0.645 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -52 | -38.6 | -177.5 | -153.6 | 96.6 | 2.1 | 0 | 0 | 112.3 | T144 Q148 V149 D150 | T144-Q146 PolarHBondContact O-N 2.8Å; Q146-Q148 VanDerWaalsContact C-N 3.31Å; Q146-Q148 PolarHBondContact O-N 3.21Å; Q146-V149 PolarHBondContact O-N 2.78Å; Q146-D150 PolarHBondContact O-N 2.71Å |
| 147 | N | 71.6 | Confident | 69.2 | Low | 104 Ų | 104 | 93.4 Ų | 93.4 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -30.6 | -179.6 | 75.6 | -45.9 | 0 | 0 | 0 | 113.9 | P145 S151 | P145-N147 WeakPolarHBondContact CB-OD1 3.26Å; P145-N147 PolarHBondContact O-N 2.82Å; P145-N147 VanDerWaalsContact O-N 3.11Å; N147-S151 WeakPolarHBondContact O-CB 3.35Å; N147-S151 PolarHBondContact O-N 3.23Å; N147-S151 VanDerWaalsContact O-N 3.11Å; N147-S151 PolarHBondContact O-OG 2.94Å |
| 148 | Q | 68.2 | Low | 69.4 | Low | 124 Ų | 124 | 94.7 Ų | 94.7 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -76.4 | -34 | 177.9 | -67.9 | -177.9 | -5.1 | 0 | 0 | 111.1 | P145 Q146 L152 | P145-Q148 HydrophobicContact CB-CG 4.29Å; P145-Q148 PolarHBondContact O-N 3.35Å; Q146-Q148 VanDerWaalsContact C-N 3.31Å; Q146-Q148 PolarHBondContact O-N 3.21Å; Q148-L152 WeakPolarHBondContact O-CB 3.48Å; Q148-L152 PolarHBondContact O-N 3.47Å; Q148-L152 VanDerWaalsContact O-N 3.15Å |
| 149 | V | 73.4 | Confident | 69.1 | Low | 65 Ų | 65 | 97.9 Ų | 97.9 | 39% | 0.394 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70 | -44.6 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | T144 P145 Q146 S151 L152 M153 | T144-V149 HydrophobicContact CG2-CG2 3.51Å; P145-V149 PolarHBondContact O-N 2.73Å; Q146-V149 PolarHBondContact O-N 2.78Å; V149-S151 VanDerWaalsContact C-N 3.34Å; V149-S151 PolarHBondContact O-N 3.04Å; V149-L152 PolarHBondContact O-N 3.36Å; V149-M153 WeakPolarHBondContact O-CB 3.32Å; V149-M153 PolarHBondContact O-N 3.06Å |
| 150 | D | 74.8 | Confident | 69 | Low | 96 Ų | 96 | 96.7 Ų | 96.7 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 178.3 | -69.1 | -22.5 | 0 | 0 | 0 | 111.8 | Q146 M153 H154 | Q146-D150 PolarHBondContact O-N 2.71Å; D150-M153 PolarHBondContact O-N 2.82Å; D150-H154 WeakPolarHBondContact O-CB 3.39Å; D150-H154 PolarHBondContact O-N 2.66Å |
| 151 | S | 77.8 | Confident | 68.9 | Low | 76 Ų | 76 | 96.6 Ų | 96.6 | 53% | 0.531 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 112 | N147 V149 H154 E155 | N147-S151 WeakPolarHBondContact O-CB 3.35Å; N147-S151 PolarHBondContact O-N 3.23Å; N147-S151 VanDerWaalsContact O-N 3.11Å; N147-S151 PolarHBondContact O-OG 2.94Å; V149-S151 VanDerWaalsContact C-N 3.34Å; V149-S151 PolarHBondContact O-N 3.04Å; S151-H154 PolarHBondContact O-N 3.19Å; S151-E155 WeakPolarHBondContact O-CB 3.23Å; S151-E155 PolarHBondContact O-N 3.17Å |
| 152 | L | 74.6 | Confident | 68.7 | Low | 96 Ų | 96 | 98.6 Ų | 98.6 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 177.7 | -176.9 | 68 | 0 | 0 | 0 | 111.9 | Q148 V149 H154 E155 L156 | Q148-L152 WeakPolarHBondContact O-CB 3.48Å; Q148-L152 PolarHBondContact O-N 3.47Å; Q148-L152 VanDerWaalsContact O-N 3.15Å; V149-L152 PolarHBondContact O-N 3.36Å; L152-H154 VanDerWaalsContact C-N 3.33Å; L152-E155 PolarHBondContact O-N 3.45Å; L152-L156 HydrophobicContact CD1-CD1 4.32Å; L152-L156 HydrophobicContact CD1-CG 4.44Å; L152-L156 HydrophobicContact CG-CD1 4.04Å; L152-L156 WeakPolarHBondContact O-CB 3.31Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.44Å; L152-L156 PolarHBondContact O-N 2.92Å |
| 153 | M | 76 | Confident | 68.2 | Low | 134 Ų | 134 | 97.3 Ų | 97.3 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 173.7 | -98 | -93.3 | -89.5 | 0 | 0 | 111.6 | V149 D150 A157 | V149-M153 WeakPolarHBondContact O-CB 3.32Å; V149-M153 PolarHBondContact O-N 3.06Å; D150-M153 PolarHBondContact O-N 2.82Å; M153-A157 WeakPolarHBondContact O-CB 3.06Å; M153-A157 PolarHBondContact O-N 3.45Å |
| 154 | H | 75.4 | Confident | 67.6 | Low | 116 Ų | 116 | 99.2 Ų | 99.2 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 176.6 | -158.7 | -22.4 | 0 | 0 | 0 | 111.7 | D150 S151 L152 L156 A157 D158 | D150-H154 WeakPolarHBondContact O-CB 3.39Å; D150-H154 PolarHBondContact O-N 2.66Å; S151-H154 PolarHBondContact O-N 3.19Å; L152-H154 VanDerWaalsContact C-N 3.33Å; H154-L156 VanDerWaalsContact C-N 3.34Å; H154-L156 PolarHBondContact O-N 3.32Å; H154-A157 PolarHBondContact O-N 2.84Å; H154-D158 IonicContact CE1-OD1 3.55Å; H154-D158 PolarHBondContact CE1-OD1 3.11Å; H154-D158 IonicContact CE1-OD2 3.33Å; H154-D158 IonicContact ND1-OD1 2.76Å; H154-D158 PolarHBondContact ND1-OD1 3.02Å; H154-D158 VanDerWaalsContact ND1-OD1 3.11Å; H154-D158 IonicContact ND1-OD2 3.11Å; H154-D158 PolarHBondContact ND1-OD2 3.41Å; H154-D158 WeakPolarHBondContact O-CB 3.33Å; H154-D158 PolarHBondContact O-N 3.48Å |
| 155 | E | 73.4 | Confident | 66.9 | Low | 133 Ų | 133 | 102.7 Ų | 102.7 | 62% | 0.621 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.5 | -41.4 | 176.7 | -171.5 | 175.9 | -172.2 | 0 | 0 | 111.7 | S151 L152 E159 | S151-E155 WeakPolarHBondContact O-CB 3.23Å; S151-E155 PolarHBondContact O-N 3.17Å; L152-E155 PolarHBondContact O-N 3.45Å; E155-E159 WeakPolarHBondContact O-CB 3.3Å; E155-E159 PolarHBondContact O-N 2.86Å |
| 156 | L | 73.4 | Confident | 65.8 | Low | 90 Ų | 90 | 108.7 Ų | 108.7 | 47% | 0.471 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.6 | -31.2 | 177.1 | -69.7 | 173.7 | 0 | 0 | 0 | 113.2 | L152 H154 A160 | L152-L156 HydrophobicContact CD1-CD1 4.32Å; L152-L156 HydrophobicContact CD1-CG 4.44Å; L152-L156 HydrophobicContact CG-CD1 4.04Å; L152-L156 WeakPolarHBondContact O-CB 3.31Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.44Å; L152-L156 PolarHBondContact O-N 2.92Å; H154-L156 VanDerWaalsContact C-N 3.34Å; H154-L156 PolarHBondContact O-N 3.32Å; L156-A160 WeakPolarHBondContact O-CB 3.38Å; L156-A160 PolarHBondContact O-N 3.34Å |
| 157 | A | 69.9 | Low | 64.8 | Low | 22 Ų | 22 | 110.5 Ų | 110.5 | 18% | 0.182 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -67.2 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | M153 H154 A160 G161 L162 | M153-A157 WeakPolarHBondContact O-CB 3.06Å; M153-A157 PolarHBondContact O-N 3.45Å; H154-A157 PolarHBondContact O-N 2.84Å; A157-A160 PolarHBondContact O-N 3.37Å; A157-G161 PolarHBondContact O-N 2.87Å; A157-L162 CarbonylContact O-C 3.45Å; A157-L162 PolarHBondContact O-N 3.03Å |
| 158 | D | 73.2 | Confident | 63.3 | Low | 93 Ų | 93 | 113.2 Ų | 113.2 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.7 | -43.1 | 174 | -64.7 | -8.9 | 0 | 0 | 0 | 110.8 | H154 G161 | H154-D158 IonicContact CE1-OD1 3.55Å; H154-D158 PolarHBondContact CE1-OD1 3.11Å; H154-D158 IonicContact CE1-OD2 3.33Å; H154-D158 IonicContact ND1-OD1 2.76Å; H154-D158 PolarHBondContact ND1-OD1 3.02Å; H154-D158 VanDerWaalsContact ND1-OD1 3.11Å; H154-D158 IonicContact ND1-OD2 3.11Å; H154-D158 PolarHBondContact ND1-OD2 3.41Å; H154-D158 WeakPolarHBondContact O-CB 3.33Å; H154-D158 PolarHBondContact O-N 3.48Å; D158-G161 PolarHBondContact O-N 2.76Å |
| 159 | E | 64.6 | Low | 62.1 | Low | 158 Ų | 158 | 113 Ų | 113 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.3 | -32.8 | 178.3 | -166.7 | 176.4 | -167.3 | 0 | 0 | 112.9 | E155 G161 | E155-E159 WeakPolarHBondContact O-CB 3.3Å; E155-E159 PolarHBondContact O-N 2.86Å; E159-G161 PolarHBondContact O-N 2.92Å |
| 160 | A | 64.1 | Low | 60.8 | Low | 72 Ų | 72 | 119.9 Ų | 119.9 | 60% | 0.595 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L156 A157 L162 | L156-A160 WeakPolarHBondContact O-CB 3.38Å; L156-A160 PolarHBondContact O-N 3.34Å; A157-A160 PolarHBondContact O-N 3.37Å; A160-L162 HydrophobicContact CB-CD1 4.38Å; A160-L162 PolarHBondContact O-N 3.42Å |
| 161 | G | 57.8 | Low | 59 | Low | 60 Ų | 60 | 118.5 Ų | 118.5 | 62% | 0.619 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.4 | 19.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A157 D158 E159 D163 | A157-G161 PolarHBondContact O-N 2.87Å; D158-G161 PolarHBondContact O-N 2.76Å; E159-G161 PolarHBondContact O-N 2.92Å; G161-D163 PolarHBondContact O-N 3.44Å |
| 162 | L | 55.7 | Low | 57 | Low | 122 Ų | 122 | 123.9 Ų | 123.9 | 64% | 0.639 | 67% | 0.671 | S | S | * | * | trans | -81.3 | 58.7 | 162.6 | -73.6 | 163.2 | 0 | 0 | 0 | 107.3 | A157 A160 L164 | A157-L162 CarbonylContact O-C 3.45Å; A157-L162 PolarHBondContact O-N 3.03Å; A160-L162 HydrophobicContact CB-CD1 4.38Å; A160-L162 PolarHBondContact O-N 3.42Å; L162-L164 PolarHBondContact O-N 3.17Å | ||
| 163 | D | 51.9 | Low | 55.7 | Low | 130 Ų | 130 | 126.5 Ų | 126.5 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | trans | -50.2 | 118 | 158 | -138.9 | -21.8 | 0 | 0 | 0 | 104.2 | G161 N165 | G161-D163 PolarHBondContact O-N 3.44Å; D163-N165 PolarHBondContact O-N 2.85Å | ||
| 164 | L | 48.5 | Very low | 53.7 | Low | 150 Ų | 150 | 123.1 Ų | 123.1 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | trans | -65 | 67.1 | 169.1 | -89.7 | 104.5 | 0 | 0 | 0 | 107.5 | L162 M166 | L162-L164 PolarHBondContact O-N 3.17Å; L164-M166 PolarHBondContact O-N 3.42Å | ||
| 165 | N | 44.8 | Very low | 52.5 | Low | 138 Ų | 138 | 123.6 Ų | 123.6 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | trans | -80.4 | 50 | 172.2 | -161.6 | 58.5 | 0 | 0 | 0 | 108.1 | D163 E167 | D163-N165 PolarHBondContact O-N 2.85Å; N165-E167 PolarHBondContact O-N 3.04Å | ||
| 166 | M | 47.4 | Very low | 50.8 | Low | 166 Ų | 166 | 124 Ų | 124 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -75.9 | 91.5 | 150.8 | -103 | -150.1 | 146 | 0 | 0 | 106.4 | L164 L168 | L164-M166 PolarHBondContact O-N 3.42Å; M166-L168 PolarHBondContact O-N 3.16Å; M166-L168 VanDerWaalsContact O-N 3.12Å | ||
| 167 | E | 43.9 | Very low | 49.2 | Very low | 176 Ų | 176 | 121.8 Ų | 121.8 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | 17.8 | 84.6 | 148.5 | -77.8 | 166.9 | 102.6 | 0 | 0 | 115.6 | N165 | N165-E167 PolarHBondContact O-N 3.04Š| ||
| 168 | L | 41.2 | Very low | 47.9 | Very low | 160 Ų | 160 | 128 Ų | 128 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | -115.4 | 124.3 | 147.6 | -85.7 | 160.5 | 0 | 0 | 0 | 108.2 | M166 Q170 | M166-L168 PolarHBondContact O-N 3.16Å; M166-L168 VanDerWaalsContact O-N 3.12Å; L168-Q170 PolarHBondContact O-N 3.44Å | ||
| 169 | P | 42.7 | Very low | 46.8 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -61.9 | 138.3 | -171.4 | -15 | 26.8 | 0 | 0 | 0 | 111.1 | G171 | P169-G171 PolarHBondContact O-N 3.01Š| ||
| 170 | Q | 45.9 | Very low | 46 | Very low | 209 Ų | 209 | 123.9 Ų | 123.9 | 98% | 0.977 | 75% | 0.745 | S | S | * | * | trans | -51.3 | 110.5 | 171.3 | -78.4 | -178.9 | -11.1 | 0 | 0 | 110.9 | L168 | L168-Q170 PolarHBondContact O-N 3.44Š| ||
| 171 | G | 37.4 | Very low | 45.3 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | trans | -141.2 | 97.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P169 | P169-G171 PolarHBondContact O-N 3.01Š| ||
| 172 | Q | 35 | Very low | 45.2 | Very low | 190 Ų | 190 | 124.1 Ų | 124.1 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | trans | 64.4 | 115 | 160.9 | -69.5 | -176.7 | 3.4 | 0 | 0 | 119.3 | G174 | Q172-G174 PolarHBondContact O-N 2.9Š| ||
| 173 | T | 47.1 | Very low | 45.1 | Very low | 151 Ų | 151 | 122.2 Ų | 122.2 | 93% | 0.926 | 73% | 0.73 | S | S | * | * | trans | -41.8 | 112.5 | 152.1 | 52.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 174 | G | 35.4 | Very low | 45.2 | Very low | 63 Ų | 63 | 122.3 Ų | 122.3 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | trans | -160.1 | 118.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q172 V176 | Q172-G174 PolarHBondContact O-N 2.9Å; G174-V176 PolarHBondContact O-N 3.39Å; G174-V176 VanDerWaalsContact O-N 3.17Å | ||
| 175 | S | 49.2 | Very low | 45.6 | Very low | 126 Ų | 126 | 122 Ų | 122 | 88% | 0.881 | 72% | 0.722 | S | S | * | * | trans | -69.9 | 105.5 | 178.7 | 72.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 176 | V | 37.7 | Very low | 46.7 | Very low | 140 Ų | 140 | 121.1 Ų | 121.1 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | trans | -150.4 | 110.7 | 171 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | G174 | G174-V176 PolarHBondContact O-N 3.39Å; G174-V176 VanDerWaalsContact O-N 3.17Å | ||
| 177 | G | 40.5 | Very low | 48 | Very low | 45 Ų | 45 | 117.6 Ų | 117.6 | 46% | 0.464 | 70% | 0.698 | S | S | . | * | trans | 76.5 | 89.3 | 130.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | S179 | G177-S179 PolarHBondContact O-N 2.76Š| ||
| 178 | T | 42 | Very low | 49.2 | Very low | 153 Ų | 153 | 114.6 Ų | 114.6 | 94% | 0.939 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 37 | 154.9 | -50.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 179 | S | 49.3 | Very low | 50.9 | Low | 69 Ų | 69 | 110.3 Ų | 110.3 | 48% | 0.483 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.8 | 10.5 | -167.1 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | G177 V183 | G177-S179 PolarHBondContact O-N 2.76Å; S179-V183 WeakPolarHBondContact O-CG2 3.2Å |
| 180 | V | 49 | Very low | 52.5 | Low | 94 Ų | 94 | 107.2 Ų | 107.2 | 57% | 0.57 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -95.8 | -41.8 | -175.6 | -154.5 | 0 | 0 | 0 | 0 | 112.1 | V183 E184 | V180-V183 PolarHBondContact O-N 3.11Å; V180-E184 PolarHBondContact O-N 2.87Å |
| 181 | A | 49.6 | Very low | 53.9 | Low | 75 Ų | 75 | 104.9 Ų | 104.9 | 62% | 0.62 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71 | -33.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q185 | A181-Q185 PolarHBondContact O-N 2.85Å |
| 182 | S | 54.5 | Low | 55.9 | Low | 63 Ų | 63 | 106.7 Ų | 106.7 | 44% | 0.441 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72.7 | -32.2 | 176 | 41.8 | 0 | 0 | 0 | 0 | 112.5 | D186 | S182-D186 PolarHBondContact O-N 3.32Å |
| 183 | V | 54.8 | Low | 58.1 | Low | 81 Ų | 81 | 100.5 Ų | 100.5 | 49% | 0.491 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.6 | -38.1 | 179.8 | 176 | 0 | 0 | 0 | 0 | 111.2 | S179 V180 D186 E187 | S179-V183 WeakPolarHBondContact O-CG2 3.2Å; V180-V183 PolarHBondContact O-N 3.11Å; V183-D186 PolarHBondContact O-N 2.66Å; V183-E187 VanDerWaalsContact O-CB 3.26Å; V183-E187 WeakPolarHBondContact O-CB 3.45Å; V183-E187 PolarHBondContact O-N 3.03Å |
| 184 | E | 54.2 | Low | 59.6 | Low | 132 Ų | 132 | 100.3 Ų | 100.3 | 62% | 0.617 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.7 | -37.9 | 177.1 | -72.3 | -174.1 | 141.3 | 0 | 0 | 112.7 | V180 L188 | V180-E184 PolarHBondContact O-N 2.87Å; E184-L188 WeakPolarHBondContact O-CB 3.15Å; E184-L188 PolarHBondContact O-N 2.79Å |
| 185 | Q | 55.4 | Low | 61.5 | Low | 145 Ų | 145 | 102.9 Ų | 102.9 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68 | -43.2 | 175.8 | -78.2 | -173.7 | -23.3 | 0 | 0 | 112.4 | A181 E187 S189 | A181-Q185 PolarHBondContact O-N 2.85Å; Q185-E187 VanDerWaalsContact C-N 3.35Å; Q185-S189 WeakPolarHBondContact O-CB 3.38Å; Q185-S189 PolarHBondContact O-N 2.87Å; Q185-S189 PolarHBondContact O-OG 3.13Å |
| 186 | D | 68.8 | Low | 62.6 | Low | 119 Ų | 119 | 107.1 Ų | 107.1 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.9 | -36.5 | 176.8 | -89 | -18.6 | 0 | 0 | 0 | 112 | S182 V183 S189 S190 | S182-D186 PolarHBondContact O-N 3.32Å; V183-D186 PolarHBondContact O-N 2.66Å; D186-S189 PolarHBondContact O-N 2.91Å; D186-S190 WeakPolarHBondContact O-CB 3.4Å; D186-S190 PolarHBondContact O-N 3.31Å |
| 187 | E | 74.1 | Confident | 64.2 | Low | 92 Ų | 92 | 107.6 Ų | 107.6 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.5 | -39 | 179.1 | -156.7 | -178.1 | 164.4 | 0 | 0 | 112.1 | V183 Q185 S190 R191 | V183-E187 VanDerWaalsContact O-CB 3.26Å; V183-E187 WeakPolarHBondContact O-CB 3.45Å; V183-E187 PolarHBondContact O-N 3.03Å; Q185-E187 VanDerWaalsContact C-N 3.35Å; E187-S190 PolarHBondContact O-N 2.76Å; E187-R191 WeakPolarHBondContact O-CB 3.35Å; E187-R191 WeakPolarHBondContact O-CG 3.49Å; E187-R191 PolarHBondContact O-N 2.94Å; E187-R191 IonicContact OE1-CZ 2.89Å; E187-R191 IonicContact OE1-NE 3.72Å; E187-R191 IonicContact OE1-NH2 2.58Å; E187-R191 PolarHBondContact OE1-NH2 3.46Å |
| 188 | L | 70.2 | Confident | 65.5 | Low | 112 Ų | 112 | 113.2 Ų | 113.2 | 59% | 0.586 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.1 | -41.9 | 174.2 | -146.1 | 89.1 | 0 | 0 | 0 | 111.4 | E184 S190 R191 L192 | E184-L188 WeakPolarHBondContact O-CB 3.15Å; E184-L188 PolarHBondContact O-N 2.79Å; L188-S190 VanDerWaalsContact C-N 3.35Å; L188-R191 PolarHBondContact O-N 3.41Å; L188-L192 HydrophobicContact CD2-CD1 4.39Å; L188-L192 WeakPolarHBondContact O-CB 3.48Å; L188-L192 WeakPolarHBondContact O-CG 3.43Å; L188-L192 PolarHBondContact O-N 3.45Å |
| 189 | S | 75.3 | Confident | 65.7 | Low | 70 Ų | 70 | 117 Ų | 117 | 49% | 0.49 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.4 | -43.3 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | Q185 D186 L192 A193 | Q185-S189 WeakPolarHBondContact O-CB 3.38Å; Q185-S189 PolarHBondContact O-N 2.87Å; Q185-S189 PolarHBondContact O-OG 3.13Å; D186-S189 PolarHBondContact O-N 2.91Å; S189-L192 PolarHBondContact O-N 3.05Å; S189-A193 WeakPolarHBondContact O-CB 3.37Å; S189-A193 PolarHBondContact O-N 3Å |
| 190 | S | 78 | Confident | 66.5 | Low | 57 Ų | 57 | 119.4 Ų | 119.4 | 40% | 0.399 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.8 | -39.7 | 176.5 | -168.1 | 0 | 0 | 0 | 0 | 112.4 | D186 E187 L188 A193 K194 | D186-S190 WeakPolarHBondContact O-CB 3.4Å; D186-S190 PolarHBondContact O-N 3.31Å; E187-S190 PolarHBondContact O-N 2.76Å; L188-S190 VanDerWaalsContact C-N 3.35Å; S190-A193 PolarHBondContact O-N 3.39Å; S190-K194 WeakPolarHBondContact O-CG 3.45Å; S190-K194 PolarHBondContact O-N 3.24Å |
| 191 | R | 75.4 | Confident | 67.4 | Low | 160 Ų | 160 | 120.7 Ų | 120.7 | 60% | 0.604 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.6 | -41.4 | 175.7 | -75.3 | -179.4 | -172.7 | -178.7 | 6.6 | 112.1 | E187 L188 K194 L195 | E187-R191 WeakPolarHBondContact O-CB 3.35Å; E187-R191 WeakPolarHBondContact O-CG 3.49Å; E187-R191 PolarHBondContact O-N 2.94Å; E187-R191 IonicContact OE1-CZ 2.89Å; E187-R191 IonicContact OE1-NE 3.72Å; E187-R191 IonicContact OE1-NH2 2.58Å; E187-R191 PolarHBondContact OE1-NH2 3.46Å; L188-R191 PolarHBondContact O-N 3.41Å; R191-K194 PolarHBondContact O-N 2.93Å; R191-L195 PolarHBondContact O-N 2.98Å |
| 192 | L | 78.6 | Confident | 68.4 | Low | 103 Ų | 103 | 123.2 Ų | 123.2 | 54% | 0.539 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.1 | -37.4 | 175.7 | -80.7 | 160.2 | 0 | 0 | 0 | 112.4 | L188 S189 L195 R196 | L188-L192 HydrophobicContact CD2-CD1 4.39Å; L188-L192 WeakPolarHBondContact O-CB 3.48Å; L188-L192 WeakPolarHBondContact O-CG 3.43Å; L188-L192 PolarHBondContact O-N 3.45Å; S189-L192 PolarHBondContact O-N 3.05Å; L192-L195 PolarHBondContact O-N 3.39Å; L192-R196 PolarHBondContact O-N 3.48Å |
| 193 | A | 81 | Confident | 69.2 | Low | 61 Ų | 61 | 126.8 Ų | 126.8 | 50% | 0.504 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.1 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S189 S190 L195 R196 D197 | S189-A193 WeakPolarHBondContact O-CB 3.37Å; S189-A193 PolarHBondContact O-N 3Å; S190-A193 PolarHBondContact O-N 3.39Å; A193-L195 VanDerWaalsContact C-N 3.3Å; A193-L195 PolarHBondContact O-N 3.35Å; A193-R196 PolarHBondContact O-N 3.1Å; A193-D197 PolarHBondContact O-N 3.04Å; A193-D197 VanDerWaalsContact O-N 3.1Å |
| 194 | K | 79.5 | Confident | 70.1 | Confident | 147 Ų | 147 | 129.6 Ų | 129.6 | 64% | 0.639 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.7 | -34 | 175.7 | -75.4 | 177 | 179.1 | 173.4 | 0 | 113.1 | S190 R191 D197 Q198 | S190-K194 WeakPolarHBondContact O-CG 3.45Å; S190-K194 PolarHBondContact O-N 3.24Å; R191-K194 PolarHBondContact O-N 2.93Å; K194-D197 PolarHBondContact O-N 3.41Å; K194-Q198 PolarHBondContact O-N 3.41Å |
| 195 | L | 74.2 | Confident | 71.2 | Confident | 117 Ų | 117 | 129.5 Ų | 129.5 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.8 | -33.4 | 176.5 | -152.1 | 89.5 | 0 | 0 | 0 | 112.2 | R191 L192 A193 Q198 | R191-L195 PolarHBondContact O-N 2.98Å; L192-L195 PolarHBondContact O-N 3.39Å; A193-L195 VanDerWaalsContact C-N 3.3Å; A193-L195 PolarHBondContact O-N 3.35Å; L195-Q198 PolarHBondContact O-N 3.49Å |
| 196 | R | 72.5 | Confident | 72.3 | Confident | 215 Ų | 215 | 128.4 Ų | 128.4 | 81% | 0.811 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.5 | -29.3 | 174.1 | -79 | -178.9 | 101.2 | 151 | 5.1 | 113.2 | L192 A193 Q198 | L192-R196 PolarHBondContact O-N 3.48Å; A193-R196 PolarHBondContact O-N 3.1Å; R196-Q198 VanDerWaalsContact C-N 3.25Å |
| 197 | D | 72.3 | Confident | 72.6 | Confident | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -9.9 | 176.4 | -149.3 | 44.7 | 0 | 0 | 0 | 112.4 | A193 K194 | A193-D197 PolarHBondContact O-N 3.04Å; A193-D197 VanDerWaalsContact O-N 3.1Å; K194-D197 PolarHBondContact O-N 3.41Å |
| 198 | Q | 67.1 | Low | 72.5 | Confident | 164 Ų | 164 | 132.2 Ų | 132.2 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -2.7 | 179.1 | -112.1 | 179.7 | -13.6 | 0 | 0 | 114.5 | K194 L195 R196 | K194-Q198 PolarHBondContact O-N 3.41Å; L195-Q198 PolarHBondContact O-N 3.49Å; R196-Q198 VanDerWaalsContact C-N 3.25Å |
| 199 | M | 45.4 | Very low | 72.7 | Confident | 231 Ų | 231 | 134 Ų | 134 | 100% | 1.138 | 66% | 0.664 | S | S | * | * | trans | -101.4 | 0 | 165.9 | -88.8 | -145.8 | -67.3 | 0 | 0 | 110.4 |
Retrieved 199 of 199 residues in 1344.7 ms
(Link to these results)