| 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 | 57 | Low | 87.6 | Confident | 193 Ų | 193 | 94.2 Ų | 94.2 | 95% | 0.951 | 47% | 0.468 | S | S | * | . | 0 | 127.3 | 0 | -89 | -176.4 | -96.5 | 0 | 0 | 108.7 | E5 | M1-E5 WeakPolarHBondContact CA-OE2 3.4Å; M1-E5 HydrophobicContact CB-CB 4.42Å; M1-E5 HydrophobicContact CG-CB 4.37Å | |||
| 2 | S | 78.8 | Confident | 88.3 | Confident | 63 Ų | 63 | 94 Ų | 94 | 44% | 0.441 | 46% | 0.462 | S | S | . | . | trans | -66.1 | 150.2 | 170.6 | -165.6 | 0 | 0 | 0 | 0 | 109.4 | M4 E5 K6 | S2-M4 PolarHBondContact O-N 3.42Å; S2-E5 PolarHBondContact N-OE2 2.69Å; S2-E5 WeakPolarHBondContact O-CB 3.49Å; S2-E5 PolarHBondContact O-N 3.47Å; S2-K6 PolarHBondContact O-N 3.42Å | ||
| 3 | N | 88.3 | Confident | 88.9 | Confident | 125 Ų | 125 | 95.6 Ų | 95.6 | 67% | 0.668 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -51.6 | -35.9 | 179 | -73.2 | -18.3 | 0 | 0 | 0 | 111.9 | E5 K6 H7 | N3-E5 PolarHBondContact O-N 3.45Å; N3-K6 PolarHBondContact O-N 3.12Å; N3-H7 PolarHBondContact O-CD2 3.36Å; N3-H7 PolarHBondContact O-N 3.45Å |
| 4 | M | 85.9 | Confident | 89.5 | Confident | 92 Ų | 92 | 91.1 Ų | 91.1 | 45% | 0.453 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65 | -34.6 | 177.5 | -163.8 | 176.4 | -83.1 | 0 | 0 | 113.4 | S2 H7 L8 V79 V83 | S2-M4 PolarHBondContact O-N 3.42Å; M4-H7 PolarHBondContact O-N 3.05Å; M4-L8 VanDerWaalsContact O-CB 3.26Å; M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.46Å; M4-V79 HydrophobicContact CG-CG1 4.06Å; M4-V83 HydrophobicContact CB-CG2 4.05Å; M4-V83 HydrophobicContact CG-CG2 3.47Å; M4-V83 VanDerWaalsContact CG-CG2 3.47Å; M4-V83 HydrophobicContact SD-CG2 3.63Å |
| 5 | E | 90.1 | Very high | 89.9 | Confident | 47 Ų | 47 | 85.3 Ų | 85.3 | 22% | 0.22 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 175.1 | -64.9 | 177.7 | 140.4 | 0 | 0 | 111.6 | M1 S2 N3 L8 F9 V83 K87 | M1-E5 WeakPolarHBondContact CA-OE2 3.4Å; M1-E5 HydrophobicContact CB-CB 4.42Å; M1-E5 HydrophobicContact CG-CB 4.37Å; S2-E5 PolarHBondContact N-OE2 2.69Å; S2-E5 WeakPolarHBondContact O-CB 3.49Å; S2-E5 PolarHBondContact O-N 3.47Å; N3-E5 PolarHBondContact O-N 3.45Å; E5-L8 PolarHBondContact O-N 3.21Å; E5-F9 PolarHBondContact O-N 3.24Å; E5-V83 HydrophobicContact CG-CG1 3.85Å; E5-K87 WeakPolarHBondContact OE1-CE 3.19Å; E5-K87 IonicContact OE1-NZ 3.48Å; E5-K87 PolarHBondContact OE1-NZ 2.83Å |
| 6 | K | 93.3 | Very high | 90.4 | Very high | 128 Ų | 128 | 87.9 Ų | 87.9 | 56% | 0.557 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 175.3 | -172.7 | 178.6 | -179.8 | -179.4 | 0 | 111.4 | S2 N3 L8 F9 N10 | S2-K6 PolarHBondContact O-N 3.42Å; N3-K6 PolarHBondContact O-N 3.12Å; K6-L8 VanDerWaalsContact C-N 3.35Å; K6-F9 PolarHBondContact O-N 2.93Å; K6-N10 PolarHBondContact O-N 3.33Å |
| 7 | H | 91.7 | Very high | 90.8 | Very high | 118 Ų | 118 | 89 Ų | 89 | 55% | 0.546 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 175.4 | -69.5 | -60.2 | 0 | 0 | 0 | 112.2 | N3 M4 N10 L11 | N3-H7 PolarHBondContact O-CD2 3.36Å; N3-H7 PolarHBondContact O-N 3.45Å; M4-H7 PolarHBondContact O-N 3.05Å; H7-N10 PolarHBondContact O-N 3.48Å; H7-L11 WeakPolarHBondContact O-CG 3.4Å; H7-L11 PolarHBondContact O-N 3.05Å |
| 8 | L | 93.1 | Very high | 91.1 | Very high | 9 Ų | 9 | 85.4 Ų | 85.4 | 5% | 0.047 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 174 | 176.6 | 59 | 0 | 0 | 0 | 112.4 | M4 E5 K6 L11 K12 A76 V79 Q80 V83 | M4-L8 VanDerWaalsContact O-CB 3.26Å; M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.46Å; E5-L8 PolarHBondContact O-N 3.21Å; K6-L8 VanDerWaalsContact C-N 3.35Å; L8-L11 PolarHBondContact O-N 3Å; L8-K12 HydrophobicContact CD1-CG 4.47Å; L8-K12 PolarHBondContact O-N 3.11Å; L8-A76 HydrophobicContact CD1-CB 4.21Å; L8-A76 WeakPolarHBondContact CD1-O 3.32Å; L8-V79 HydrophobicContact CB-CG1 3.99Å; L8-V79 HydrophobicContact CD1-CB 4.06Å; L8-V79 HydrophobicContact CD1-CG1 4.03Å; L8-V79 HydrophobicContact CG-CG1 4.46Å; L8-Q80 HydrophobicContact CD1-CB 4.07Å; L8-Q80 HydrophobicContact CD2-CB 4Å; L8-Q80 HydrophobicContact CD2-CG 4.45Å; L8-V83 HydrophobicContact CD2-CB 4.5Å; L8-V83 HydrophobicContact CD2-CG2 4.21Å |
| 9 | F | 95.6 | Very high | 91.4 | Very high | 132 Ų | 132 | 85.3 Ų | 85.3 | 58% | 0.579 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.9 | -48.5 | 173.9 | 175.1 | -93.9 | 0 | 0 | 0 | 111.3 | E5 K6 L11 K12 F13 | E5-F9 PolarHBondContact O-N 3.24Å; K6-F9 PolarHBondContact O-N 2.93Å; F9-L11 VanDerWaalsContact C-N 3.3Å; F9-L11 PolarHBondContact O-N 3.04Å; F9-K12 PolarHBondContact O-N 3.41Å; F9-F13 WeakPolarHBondContact O-CB 3.46Å; F9-F13 PolarHBondContact O-N 2.96Å |
| 10 | N | 95.2 | Very high | 91.7 | Very high | 79 Ų | 79 | 89.7 Ų | 89.7 | 42% | 0.422 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 178.8 | -70.3 | -7.5 | 0 | 0 | 0 | 112.3 | K6 H7 F13 A14 | K6-N10 PolarHBondContact O-N 3.33Å; H7-N10 PolarHBondContact O-N 3.48Å; N10-F13 PolarHBondContact O-N 3.06Å; N10-A14 VanDerWaalsContact O-CB 3.28Å; N10-A14 WeakPolarHBondContact O-CB 3.37Å; N10-A14 PolarHBondContact O-N 3.13Å |
| 11 | L | 95.1 | Very high | 91.9 | Very high | 50 Ų | 50 | 87.4 Ų | 87.4 | 26% | 0.262 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65 | -48 | 176.4 | -73.9 | 168.9 | 0 | 0 | 0 | 111.8 | H7 L8 F9 F13 A14 A15 I72 V75 A76 V79 | H7-L11 WeakPolarHBondContact O-CG 3.4Å; H7-L11 PolarHBondContact O-N 3.05Å; L8-L11 PolarHBondContact O-N 3Å; F9-L11 VanDerWaalsContact C-N 3.3Å; F9-L11 PolarHBondContact O-N 3.04Å; L11-F13 VanDerWaalsContact C-N 3.29Å; L11-F13 PolarHBondContact O-N 3.04Å; L11-A14 PolarHBondContact O-N 2.91Å; L11-A15 WeakPolarHBondContact O-CB 3.37Å; L11-A15 PolarHBondContact O-N 3.49Å; L11-I72 HydrophobicContact CB-CG2 4.31Å; L11-I72 HydrophobicContact CD2-CG2 4Å; L11-I72 VanDerWaalsContact O-CG2 3.29Å; L11-I72 WeakPolarHBondContact O-CG2 3.49Å; L11-V75 HydrophobicContact CD1-CG1 4.31Å; L11-A76 HydrophobicContact CB-CB 3.97Å; L11-V79 HydrophobicContact CD1-CG2 4.2Å |
| 12 | K | 95.4 | Very high | 93.8 | Very high | 92 Ų | 92 | 78.4 Ų | 78.4 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 176.2 | -71.3 | -171.3 | 179 | 179.8 | 0 | 111.8 | L8 F9 K16 A76 | L8-K12 HydrophobicContact CD1-CG 4.47Å; L8-K12 PolarHBondContact O-N 3.11Å; F9-K12 PolarHBondContact O-N 3.41Å; K12-K16 PolarHBondContact O-N 2.98Å; K12-K16 VanDerWaalsContact O-N 3.16Å; K12-A76 HydrophobicContact CG-CB 3.89Å |
| 13 | F | 96.7 | Very high | 94.7 | Very high | 115 Ų | 115 | 81.7 Ų | 81.7 | 50% | 0.504 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -49.7 | 176 | -175.3 | -94.8 | 0 | 0 | 0 | 111.3 | F9 N10 L11 A15 K16 E17 | F9-F13 WeakPolarHBondContact O-CB 3.46Å; F9-F13 PolarHBondContact O-N 2.96Å; N10-F13 PolarHBondContact O-N 3.06Å; L11-F13 VanDerWaalsContact C-N 3.29Å; L11-F13 PolarHBondContact O-N 3.04Å; F13-A15 PolarHBondContact O-N 3.48Å; F13-K16 PolarHBondContact O-N 3.05Å; F13-K16 VanDerWaalsContact O-N 3.17Å; F13-E17 WeakPolarHBondContact O-CB 3.38Å; F13-E17 PolarHBondContact O-N 2.79Å |
| 14 | A | 96.1 | Very high | 95.1 | Very high | 32 Ų | 32 | 82 Ų | 82 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N10 L11 K16 E17 L18 | N10-A14 VanDerWaalsContact O-CB 3.28Å; N10-A14 WeakPolarHBondContact O-CB 3.37Å; N10-A14 PolarHBondContact O-N 3.13Å; L11-A14 PolarHBondContact O-N 2.91Å; A14-K16 VanDerWaalsContact C-N 3.31Å; A14-K16 PolarHBondContact O-N 3.47Å; A14-E17 PolarHBondContact O-N 3.44Å; A14-L18 WeakPolarHBondContact O-CG 3.27Å; A14-L18 PolarHBondContact O-N 2.71Å |
| 15 | A | 96.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 78.1 Ų | 78.1 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L11 F13 L18 Q19 S69 I72 D73 | L11-A15 WeakPolarHBondContact O-CB 3.37Å; L11-A15 PolarHBondContact O-N 3.49Å; F13-A15 PolarHBondContact O-N 3.48Å; A15-L18 PolarHBondContact O-N 3.42Å; A15-Q19 PolarHBondContact O-N 2.86Å; A15-S69 PolarHBondContact O-OG 3.19Å; A15-I72 HydrophobicContact CB-CB 4.19Å; A15-I72 HydrophobicContact CB-CG2 3.89Å; A15-D73 HydrophobicContact CB-CB 4.17Å |
| 16 | K | 97.2 | Very high | 95.9 | Very high | 128 Ų | 128 | 79 Ų | 79 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.7 | -35.3 | 179.4 | -165.6 | 162.7 | -171.9 | 163.9 | 0 | 112.8 | K12 F13 A14 Q19 R20 | K12-K16 PolarHBondContact O-N 2.98Å; K12-K16 VanDerWaalsContact O-N 3.16Å; F13-K16 PolarHBondContact O-N 3.05Å; F13-K16 VanDerWaalsContact O-N 3.17Å; A14-K16 VanDerWaalsContact C-N 3.31Å; A14-K16 PolarHBondContact O-N 3.47Å; K16-Q19 PolarHBondContact O-N 3.44Å; K16-R20 WeakPolarHBondContact O-CG 3.43Å; K16-R20 PolarHBondContact O-N 3.44Å |
| 17 | E | 97.2 | Very high | 96.1 | Very high | 106 Ų | 106 | 80.6 Ų | 80.6 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 173.8 | -171.6 | 175 | -175.3 | 0 | 0 | 111 | F13 A14 Q19 R20 S21 | F13-E17 WeakPolarHBondContact O-CB 3.38Å; F13-E17 PolarHBondContact O-N 2.79Å; A14-E17 PolarHBondContact O-N 3.44Å; E17-Q19 VanDerWaalsContact C-N 3.33Å; E17-Q19 PolarHBondContact O-N 3.24Å; E17-R20 WeakPolarHBondContact O-CB 3.26Å; E17-R20 PolarHBondContact O-N 2.88Å; E17-R20 VanDerWaalsContact O-N 3.14Å; E17-S21 PolarHBondContact O-N 3.11Å; E17-S21 PolarHBondContact O-OG 2.88Å |
| 18 | L | 96.3 | Very high | 96.3 | Very high | 25 Ų | 25 | 78.3 Ų | 78.3 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 174.7 | -69.5 | 173.3 | 0 | 0 | 0 | 112.4 | A14 A15 R20 S21 S22 F65 M68 I72 | A14-L18 WeakPolarHBondContact O-CG 3.27Å; A14-L18 PolarHBondContact O-N 2.71Å; A15-L18 PolarHBondContact O-N 3.42Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.44Å; L18-S21 PolarHBondContact O-N 3.1Å; L18-S22 PolarHBondContact O-N 3.36Å; L18-F65 HydrophobicContact CD2-CD1 3.67Å; L18-F65 HydrophobicContact CD2-CE1 4.13Å; L18-M68 HydrophobicContact CD1-CB 3.86Å; L18-M68 HydrophobicContact CD1-CE 4.37Å; L18-I72 HydrophobicContact CD1-CD1 3.52Å |
| 19 | Q | 96.8 | Very high | 96.4 | Very high | 83 Ų | 83 | 78.7 Ų | 78.7 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 175.4 | -163.3 | -172.6 | 6.6 | 0 | 0 | 111.8 | A15 K16 E17 K23 | A15-Q19 PolarHBondContact O-N 2.86Å; K16-Q19 PolarHBondContact O-N 3.44Å; E17-Q19 VanDerWaalsContact C-N 3.33Å; E17-Q19 PolarHBondContact O-N 3.24Å; Q19-K23 WeakPolarHBondContact O-CG 3.5Å; Q19-K23 PolarHBondContact O-N 3.41Å; Q19-K23 VanDerWaalsContact O-N 3.13Å |
| 20 | R | 97.7 | Very high | 96.4 | Very high | 173 Ų | 173 | 79.5 Ų | 79.5 | 65% | 0.653 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.6 | -42.1 | 173.6 | -73.3 | 174.7 | 175.2 | -171.8 | -1.8 | 111.5 | K16 E17 L18 K23 K24 | K16-R20 WeakPolarHBondContact O-CG 3.43Å; K16-R20 PolarHBondContact O-N 3.44Å; E17-R20 WeakPolarHBondContact O-CB 3.26Å; E17-R20 PolarHBondContact O-N 2.88Å; E17-R20 VanDerWaalsContact O-N 3.14Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.44Å; R20-K23 PolarHBondContact O-N 3.15Å; R20-K24 WeakPolarHBondContact O-CB 3.32Å; R20-K24 PolarHBondContact O-N 3.29Å |
| 21 | S | 96.2 | Very high | 96.4 | Very high | 41 Ų | 41 | 78 Ų | 78 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 176 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | E17 L18 K24 C25 | E17-S21 PolarHBondContact O-N 3.11Å; E17-S21 PolarHBondContact O-OG 2.88Å; L18-S21 PolarHBondContact O-N 3.1Å; S21-K24 WeakPolarHBondContact O-CB 3.38Å; S21-K24 PolarHBondContact O-N 2.88Å; S21-C25 PolarHBondContact O-N 2.82Å; S21-C25 PolarHBondContact O-SG 3.28Å |
| 22 | S | 96.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 76.9 Ų | 76.9 | 4% | 0.035 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.3 | -51.4 | 171.8 | 163.9 | 0 | 0 | 0 | 0 | 111.7 | L18 K24 C25 D26 S62 | L18-S22 PolarHBondContact O-N 3.36Å; S22-K24 PolarHBondContact O-N 3.36Å; S22-C25 WeakPolarHBondContact O-CB 3.44Å; S22-C25 PolarHBondContact O-N 3.4Å; S22-C25 VanDerWaalsContact O-N 3.12Å; S22-D26 PolarHBondContact O-N 3.16Å; S22-S62 PolarHBondContact O-OG 3.48Å; S22-S62 VanDerWaalsContact O-OG 3.12Å; S22-S62 PolarHBondContact OG-O 2.78Å; S22-S62 PolarHBondContact OG-OG 3.36Å |
| 23 | K | 97.5 | Very high | 96.2 | Very high | 132 Ų | 132 | 77.2 Ų | 77.2 | 57% | 0.574 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.3 | -33.9 | 177.2 | -70.8 | 179.8 | -179.4 | -175.2 | 0 | 113 | Q19 R20 K27 | Q19-K23 WeakPolarHBondContact O-CG 3.5Å; Q19-K23 PolarHBondContact O-N 3.41Å; Q19-K23 VanDerWaalsContact O-N 3.13Å; R20-K23 PolarHBondContact O-N 3.15Å; K23-K27 PolarHBondContact O-N 3.04Å; K23-K27 VanDerWaalsContact O-N 3.12Å |
| 24 | K | 97.8 | Very high | 96.1 | Very high | 132 Ų | 132 | 74 Ų | 74 | 57% | 0.574 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67 | -46.8 | 175.3 | -173.9 | -178.7 | 173.8 | -173.1 | 0 | 110.9 | R20 S21 S22 D26 K27 E28 | R20-K24 WeakPolarHBondContact O-CB 3.32Å; R20-K24 PolarHBondContact O-N 3.29Å; S21-K24 WeakPolarHBondContact O-CB 3.38Å; S21-K24 PolarHBondContact O-N 2.88Å; S22-K24 PolarHBondContact O-N 3.36Å; K24-D26 VanDerWaalsContact C-N 3.32Å; K24-D26 PolarHBondContact O-N 3.42Å; K24-K27 WeakPolarHBondContact O-CB 3.44Å; K24-K27 PolarHBondContact O-N 2.99Å; K24-K27 VanDerWaalsContact O-N 3.14Å; K24-E28 WeakPolarHBondContact CE-OE1 3.3Å; K24-E28 WeakPolarHBondContact O-CG 3.19Å; K24-E28 PolarHBondContact O-N 3.09Å |
| 25 | C | 96.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 76.9 Ų | 76.9 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 174.2 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | S21 S22 K27 E28 E29 Q58 | S21-C25 PolarHBondContact O-N 2.82Å; S21-C25 PolarHBondContact O-SG 3.28Å; S22-C25 WeakPolarHBondContact O-CB 3.44Å; S22-C25 PolarHBondContact O-N 3.4Å; S22-C25 VanDerWaalsContact O-N 3.12Å; C25-K27 VanDerWaalsContact C-N 3.33Å; C25-K27 PolarHBondContact O-N 3.32Å; C25-E28 PolarHBondContact O-N 3.21Å; C25-E29 WeakPolarHBondContact O-CB 3.34Å; C25-E29 PolarHBondContact O-N 3.36Å; C25-Q58 PolarHBondContact SG-OE1 2.97Å |
| 26 | D | 95.9 | Very high | 95.7 | Very high | 65 Ų | 65 | 77.8 Ų | 77.8 | 35% | 0.348 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 175.1 | -75.8 | -14.3 | 0 | 0 | 0 | 112.8 | S22 K24 E29 K30 S62 | S22-D26 PolarHBondContact O-N 3.16Å; K24-D26 VanDerWaalsContact C-N 3.32Å; K24-D26 PolarHBondContact O-N 3.42Å; D26-E29 PolarHBondContact O-N 3.34Å; D26-K30 WeakPolarHBondContact O-CG 3.33Å; D26-K30 PolarHBondContact O-N 2.93Å; D26-K30 VanDerWaalsContact O-N 3.14Å; D26-S62 WeakPolarHBondContact OD1-CB 3.42Å; D26-S62 PolarHBondContact OD1-OG 2.89Å; D26-S62 PolarHBondContact OD2-OG 2.85Å |
| 27 | K | 97.8 | Very high | 95.3 | Very high | 162 Ų | 162 | 78.6 Ų | 78.6 | 70% | 0.704 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.9 | -42 | 176.2 | -174.3 | 178.9 | 177.3 | -179.2 | 0 | 111 | K23 K24 C25 K30 A31 | K23-K27 PolarHBondContact O-N 3.04Å; K23-K27 VanDerWaalsContact O-N 3.12Å; K24-K27 WeakPolarHBondContact O-CB 3.44Å; K24-K27 PolarHBondContact O-N 2.99Å; K24-K27 VanDerWaalsContact O-N 3.14Å; C25-K27 VanDerWaalsContact C-N 3.33Å; C25-K27 PolarHBondContact O-N 3.32Å; K27-K30 PolarHBondContact O-N 3.35Å; K27-A31 PolarHBondContact O-N 3.49Å; K27-A31 VanDerWaalsContact O-N 3.1Å |
| 28 | E | 96.1 | Very high | 95.1 | Very high | 71 Ų | 71 | 80.1 Ų | 80.1 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 176.3 | -71.4 | 176 | -174.4 | 0 | 0 | 111.3 | K24 C25 K30 A31 E32 Q58 | K24-E28 WeakPolarHBondContact CE-OE1 3.3Å; K24-E28 WeakPolarHBondContact O-CG 3.19Å; K24-E28 PolarHBondContact O-N 3.09Å; C25-E28 PolarHBondContact O-N 3.21Å; E28-K30 PolarHBondContact O-N 2.85Å; E28-A31 WeakPolarHBondContact O-CB 3.01Å; E28-A31 PolarHBondContact O-N 2.73Å; E28-A31 VanDerWaalsContact O-N 3.14Å; E28-E32 WeakPolarHBondContact O-CG 3.44Å; E28-E32 PolarHBondContact O-N 2.93Å; E28-Q58 HydrophobicContact CB-CG 4.4Å; E28-Q58 PolarHBondContact OE2-NE2 3.18Å |
| 29 | E | 94.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 79.2 Ų | 79.2 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.6 | -46.8 | 174.1 | -171.7 | -116.6 | -154.1 | 0 | 0 | 112.1 | C25 D26 A31 E32 K33 A55 Q58 K59 | C25-E29 WeakPolarHBondContact O-CB 3.34Å; C25-E29 PolarHBondContact O-N 3.36Å; D26-E29 PolarHBondContact O-N 3.34Å; E29-A31 VanDerWaalsContact C-N 3.32Å; E29-A31 PolarHBondContact O-N 2.66Å; E29-E32 PolarHBondContact O-N 2.75Å; E29-K33 VanDerWaalsContact CD-CE 3.42Å; E29-K33 WeakPolarHBondContact O-CG 3.29Å; E29-K33 PolarHBondContact O-N 2.83Å; E29-K33 WeakPolarHBondContact OE1-CE 3.3Å; E29-K33 IonicContact OE1-NZ 2.82Å; E29-K33 PolarHBondContact OE1-NZ 3.34Å; E29-K33 WeakPolarHBondContact OE2-CE 3.26Å; E29-K33 IonicContact OE2-NZ 3.92Å; E29-K33 PolarHBondContact OE2-NZ 2.8Å; E29-A55 HydrophobicContact CG-CB 4.38Å; E29-A55 WeakPolarHBondContact CG-O 3.39Å; E29-Q58 HydrophobicContact CB-CB 4.05Å; E29-K59 HydrophobicContact CG-CB 4.16Å |
| 30 | K | 95.4 | Very high | 94.3 | Very high | 148 Ų | 148 | 80.5 Ų | 80.5 | 64% | 0.643 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 175.6 | -70.5 | 175.6 | -176.4 | -179.7 | 0 | 112 | D26 K27 E28 A34 | D26-K30 WeakPolarHBondContact O-CG 3.33Å; D26-K30 PolarHBondContact O-N 2.93Å; D26-K30 VanDerWaalsContact O-N 3.14Å; K27-K30 PolarHBondContact O-N 3.35Å; E28-K30 PolarHBondContact O-N 2.85Å; K30-A34 PolarHBondContact O-N 2.86Å; K30-A34 VanDerWaalsContact O-N 3.1Å |
| 31 | A | 96.1 | Very high | 94 | Very high | 47 Ų | 47 | 80 Ų | 80 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | K27 E28 E29 A34 K35 | K27-A31 PolarHBondContact O-N 3.49Å; K27-A31 VanDerWaalsContact O-N 3.1Å; E28-A31 WeakPolarHBondContact O-CB 3.01Å; E28-A31 PolarHBondContact O-N 2.73Å; E28-A31 VanDerWaalsContact O-N 3.14Å; E29-A31 VanDerWaalsContact C-N 3.32Å; E29-A31 PolarHBondContact O-N 2.66Å; A31-A34 WeakPolarHBondContact O-CB 3.33Å; A31-A34 PolarHBondContact O-N 3.13Å; A31-K35 WeakPolarHBondContact O-CG 3.34Å; A31-K35 PolarHBondContact O-N 2.92Å; A31-K35 VanDerWaalsContact O-N 3.09Å |
| 32 | E | 93.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 85.9 Ų | 85.9 | 13% | 0.131 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.4 | -69.2 | -54.8 | 132.7 | 0 | 0 | 111.6 | E28 E29 A34 K35 V36 H51 N54 A55 | E28-E32 WeakPolarHBondContact O-CG 3.44Å; E28-E32 PolarHBondContact O-N 2.93Å; E29-E32 PolarHBondContact O-N 2.75Å; E32-A34 VanDerWaalsContact C-N 3.28Å; E32-A34 PolarHBondContact O-N 3.36Å; E32-K35 CarbonylContact O-C 3.58Å; E32-K35 WeakPolarHBondContact O-CA 3.31Å; E32-K35 WeakPolarHBondContact O-CB 3.42Å; E32-K35 PolarHBondContact O-N 2.76Å; E32-K35 IonicContact OE1-NZ 3.46Å; E32-K35 PolarHBondContact OE1-NZ 2.85Å; E32-V36 WeakPolarHBondContact O-CG2 3.37Å; E32-V36 PolarHBondContact O-N 3.11Å; E32-H51 IonicContact OE2-CE1 2.71Å; E32-H51 IonicContact OE2-CG 3.65Å; E32-H51 IonicContact OE2-ND1 3.57Å; E32-H51 PolarHBondContact OE2-ND1 3.43Å; E32-N54 HydrophobicContact CG-CB 4.24Å; E32-A55 HydrophobicContact CB-CB 3.94Å |
| 33 | K | 92.2 | Very high | 93.3 | Very high | 98 Ų | 98 | 88.2 Ų | 88.2 | 43% | 0.426 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.1 | -39.1 | 172.1 | -77.9 | 175.4 | 175.4 | 165.6 | 0 | 113 | E29 K35 V36 K37 A55 | E29-K33 VanDerWaalsContact CD-CE 3.42Å; E29-K33 WeakPolarHBondContact O-CG 3.29Å; E29-K33 PolarHBondContact O-N 2.83Å; E29-K33 WeakPolarHBondContact OE1-CE 3.3Å; E29-K33 IonicContact OE1-NZ 2.82Å; E29-K33 PolarHBondContact OE1-NZ 3.34Å; E29-K33 WeakPolarHBondContact OE2-CE 3.26Å; E29-K33 IonicContact OE2-NZ 3.92Å; E29-K33 PolarHBondContact OE2-NZ 2.8Å; K33-K35 VanDerWaalsContact C-N 3.33Å; K33-V36 PolarHBondContact O-N 3.27Å; K33-K37 WeakPolarHBondContact O-CG 3.43Å; K33-K37 PolarHBondContact O-N 2.69Å; K33-K37 VanDerWaalsContact O-N 3.12Å; K33-A55 HydrophobicContact CG-CB 4.17Å |
| 34 | A | 94.8 | Very high | 92.9 | Very high | 47 Ų | 47 | 86.2 Ų | 86.2 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K30 A31 E32 K38 | K30-A34 PolarHBondContact O-N 2.86Å; K30-A34 VanDerWaalsContact O-N 3.1Å; A31-A34 WeakPolarHBondContact O-CB 3.33Å; A31-A34 PolarHBondContact O-N 3.13Å; E32-A34 VanDerWaalsContact C-N 3.28Å; E32-A34 PolarHBondContact O-N 3.36Å; A34-K38 WeakPolarHBondContact O-CG 3.17Å; A34-K38 PolarHBondContact O-N 3.02Å |
| 35 | K | 92.2 | Very high | 92.5 | Very high | 93 Ų | 93 | 84.8 Ų | 84.8 | 40% | 0.404 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.4 | -40.4 | 173.8 | -65.4 | 173.9 | -169.6 | 169.8 | 0 | 111.9 | A31 E32 K33 K37 K38 A39 H51 | A31-K35 WeakPolarHBondContact O-CG 3.34Å; A31-K35 PolarHBondContact O-N 2.92Å; A31-K35 VanDerWaalsContact O-N 3.09Å; E32-K35 CarbonylContact O-C 3.58Å; E32-K35 WeakPolarHBondContact O-CA 3.31Å; E32-K35 WeakPolarHBondContact O-CB 3.42Å; E32-K35 PolarHBondContact O-N 2.76Å; E32-K35 IonicContact OE1-NZ 3.46Å; E32-K35 PolarHBondContact OE1-NZ 2.85Å; K33-K35 VanDerWaalsContact C-N 3.33Å; K35-K37 PolarHBondContact O-N 2.73Å; K35-K38 PolarHBondContact O-N 2.81Å; K35-A39 WeakPolarHBondContact O-CB 3.33Å; K35-A39 PolarHBondContact O-N 3.26Å; K35-H51 HydrophobicContact CB-CB 4.48Å |
| 36 | V | 91.7 | Very high | 92.1 | Very high | 23 Ų | 23 | 91.7 Ų | 91.7 | 14% | 0.139 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -55.2 | -50.7 | 173.3 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | E32 K33 K38 A39 I40 H51 A52 | E32-V36 WeakPolarHBondContact O-CG2 3.37Å; E32-V36 PolarHBondContact O-N 3.11Å; K33-V36 PolarHBondContact O-N 3.27Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 2.93Å; V36-A39 PolarHBondContact O-N 2.81Å; V36-A39 VanDerWaalsContact O-N 3.12Å; V36-I40 HydrophobicContact CG1-CD1 3.7Å; V36-I40 HydrophobicContact CG1-CG1 4.3Å; V36-I40 WeakPolarHBondContact O-CG1 3.2Å; V36-I40 PolarHBondContact O-N 3.08Å; V36-H51 VanDerWaalsContact CG2-C 3.45Å; V36-H51 HydrophobicContact CG2-CB 3.45Å; V36-H51 VanDerWaalsContact CG2-CB 3.45Å; V36-A52 HydrophobicContact CG2-CB 4.04Å; V36-A52 VanDerWaalsContact CG2-N 3.32Å |
| 37 | K | 90.3 | Very high | 91.7 | Very high | 146 Ų | 146 | 91.6 Ų | 91.6 | 64% | 0.635 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -56 | -44.7 | 178.4 | -71.2 | -178.9 | 179.9 | -174.1 | 0 | 112 | K33 K35 Q41 | K33-K37 WeakPolarHBondContact O-CG 3.43Å; K33-K37 PolarHBondContact O-N 2.69Å; K33-K37 VanDerWaalsContact O-N 3.12Å; K35-K37 PolarHBondContact O-N 2.73Å; K37-Q41 WeakPolarHBondContact O-CG 3.16Å; K37-Q41 PolarHBondContact O-N 3.43Å; K37-Q41 VanDerWaalsContact O-N 3.11Å |
| 38 | K | 92.2 | Very high | 91.1 | Very high | 137 Ų | 137 | 84.3 Ų | 84.3 | 60% | 0.596 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.4 | -38 | 177.4 | -70.2 | 178.4 | -179.8 | -177.3 | 0 | 112.8 | A34 K35 V36 K42 | A34-K38 WeakPolarHBondContact O-CG 3.17Å; A34-K38 PolarHBondContact O-N 3.02Å; K35-K38 PolarHBondContact O-N 2.81Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 2.93Å; K38-K42 WeakPolarHBondContact O-CG 3.33Å; K38-K42 PolarHBondContact O-N 3.38Å |
| 39 | A | 87.8 | Confident | 90.7 | Very high | 7 Ų | 7 | 89.2 Ų | 89.2 | 6% | 0.058 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K35 V36 K42 G43 N44 V47 A48 | K35-A39 WeakPolarHBondContact O-CB 3.33Å; K35-A39 PolarHBondContact O-N 3.26Å; V36-A39 PolarHBondContact O-N 2.81Å; V36-A39 VanDerWaalsContact O-N 3.12Å; A39-K42 PolarHBondContact O-N 3.49Å; A39-G43 PolarHBondContact O-N 3.22Å; A39-N44 PolarHBondContact O-N 2.84Å; A39-N44 VanDerWaalsContact O-N 3.08Å; A39-V47 HydrophobicContact CB-CB 4.43Å; A39-V47 HydrophobicContact CB-CG1 4.13Å; A39-A48 HydrophobicContact CB-CB 3.88Å |
| 40 | I | 88.3 | Confident | 90.6 | Very high | 109 Ų | 109 | 93.1 Ų | 93.1 | 56% | 0.559 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63 | -45.6 | 174.3 | -67 | 171.4 | 0 | 0 | 0 | 110.8 | V36 K42 G43 A48 | V36-I40 HydrophobicContact CG1-CD1 3.7Å; V36-I40 HydrophobicContact CG1-CG1 4.3Å; V36-I40 WeakPolarHBondContact O-CG1 3.2Å; V36-I40 PolarHBondContact O-N 3.08Å; I40-K42 PolarHBondContact O-N 3.26Å; I40-G43 PolarHBondContact O-N 3Å; I40-A48 HydrophobicContact CG1-CB 3.76Å |
| 41 | Q | 90.4 | Very high | 90.2 | Very high | 163 Ų | 163 | 88.1 Ų | 88.1 | 76% | 0.762 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.6 | -29.4 | 177.1 | -75.3 | 173.5 | -10.4 | 0 | 0 | 113.2 | K37 G43 | K37-Q41 WeakPolarHBondContact O-CG 3.16Å; K37-Q41 PolarHBondContact O-N 3.43Å; K37-Q41 VanDerWaalsContact O-N 3.11Å; Q41-G43 VanDerWaalsContact C-N 3.34Å |
| 42 | K | 90.9 | Very high | 89.9 | Confident | 165 Ų | 165 | 87.5 Ų | 87.5 | 72% | 0.717 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -3.4 | 176.9 | -68.5 | 179 | 179.4 | -168.8 | 0 | 113.6 | K38 A39 I40 N44 | K38-K42 WeakPolarHBondContact O-CG 3.33Å; K38-K42 PolarHBondContact O-N 3.38Å; A39-K42 PolarHBondContact O-N 3.49Å; I40-K42 PolarHBondContact O-N 3.26Å; K42-N44 VanDerWaalsContact C-N 3.28Å; K42-N44 PolarHBondContact O-N 3.45Å |
| 43 | G | 88.9 | Confident | 89.9 | Confident | 53 Ų | 53 | 92.5 Ų | 92.5 | 55% | 0.546 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 6.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A39 I40 Q41 V45 | A39-G43 PolarHBondContact O-N 3.22Å; I40-G43 PolarHBondContact O-N 3Å; Q41-G43 VanDerWaalsContact C-N 3.34Å; G43-V45 PolarHBondContact O-N 3.13Å; G43-V45 VanDerWaalsContact O-N 3.12Å |
| 44 | N | 89.6 | Confident | 89.7 | Confident | 90 Ų | 90 | 90 Ų | 90 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | trans | -88 | 80.9 | -177.9 | -73.2 | -14.1 | 0 | 0 | 0 | 111.1 | A39 K42 E46 V47 A48 | A39-N44 PolarHBondContact O-N 2.84Å; A39-N44 VanDerWaalsContact O-N 3.08Å; K42-N44 VanDerWaalsContact C-N 3.28Å; K42-N44 PolarHBondContact O-N 3.45Å; N44-E46 PolarHBondContact O-N 3.38Å; N44-V47 HydrophobicContact CB-CB 4.18Å; N44-V47 HydrophobicContact CB-CG2 4.3Å; N44-V47 PolarHBondContact O-N 2.85Å; N44-A48 PolarHBondContact O-N 3.19Å | ||
| 45 | V | 87.4 | Confident | 89.5 | Confident | 103 Ų | 103 | 88 Ų | 88 | 62% | 0.624 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63 | -37.9 | -174.6 | -177.6 | 0 | 0 | 0 | 0 | 112.9 | G43 A48 R49 | G43-V45 PolarHBondContact O-N 3.13Å; G43-V45 VanDerWaalsContact O-N 3.12Å; V45-A48 PolarHBondContact O-N 2.78Å; V45-R49 PolarHBondContact O-N 2.74Å |
| 46 | E | 88.6 | Confident | 89.5 | Confident | 154 Ų | 154 | 88.6 Ų | 88.6 | 72% | 0.72 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.4 | -44.2 | 178.7 | -67 | -168.3 | 151.1 | 0 | 0 | 112.4 | N44 A48 R49 I50 | N44-E46 PolarHBondContact O-N 3.38Å; E46-A48 VanDerWaalsContact C-N 3.33Å; E46-A48 PolarHBondContact O-N 3.14Å; E46-R49 WeakPolarHBondContact O-CB 3.42Å; E46-R49 PolarHBondContact O-N 3.23Å; E46-I50 PolarHBondContact O-N 3.44Å; E46-I50 VanDerWaalsContact O-N 3.15Å |
| 47 | V | 86.6 | Confident | 89.6 | Confident | 63 Ų | 63 | 93.6 Ų | 93.6 | 38% | 0.382 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 177.1 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | A39 N44 R49 I50 H51 | A39-V47 HydrophobicContact CB-CB 4.43Å; A39-V47 HydrophobicContact CB-CG1 4.13Å; N44-V47 HydrophobicContact CB-CB 4.18Å; N44-V47 HydrophobicContact CB-CG2 4.3Å; N44-V47 PolarHBondContact O-N 2.85Å; V47-R49 VanDerWaalsContact C-N 3.33Å; V47-R49 PolarHBondContact O-N 3.28Å; V47-I50 PolarHBondContact O-N 2.8Å; V47-H51 PolarHBondContact O-CD2 2.91Å; V47-H51 PolarHBondContact O-N 2.75Å; V47-H51 VanDerWaalsContact O-N 3.12Å |
| 48 | A | 86.9 | Confident | 89.7 | Confident | 8 Ų | 8 | 87.6 Ų | 87.6 | 7% | 0.066 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A39 I40 N44 V45 E46 H51 A52 | A39-A48 HydrophobicContact CB-CB 3.88Å; I40-A48 HydrophobicContact CG1-CB 3.76Å; N44-A48 PolarHBondContact O-N 3.19Å; V45-A48 PolarHBondContact O-N 2.78Å; E46-A48 VanDerWaalsContact C-N 3.33Å; E46-A48 PolarHBondContact O-N 3.14Å; A48-H51 PolarHBondContact O-N 3.29Å; A48-A52 VanDerWaalsContact O-CB 3.3Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 2.94Å |
| 49 | R | 87.3 | Confident | 89.8 | Confident | 175 Ų | 175 | 86.5 Ų | 86.5 | 66% | 0.66 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 177.1 | -175.2 | -178.9 | -79 | 148.6 | -6 | 111.8 | V45 E46 V47 A52 E53 | V45-R49 PolarHBondContact O-N 2.74Å; E46-R49 WeakPolarHBondContact O-CB 3.42Å; E46-R49 PolarHBondContact O-N 3.23Å; V47-R49 VanDerWaalsContact C-N 3.33Å; V47-R49 PolarHBondContact O-N 3.28Å; R49-A52 PolarHBondContact O-N 3.42Å; R49-E53 PolarHBondContact O-N 3.5Å |
| 50 | I | 91.8 | Very high | 89.8 | Confident | 98 Ų | 98 | 91 Ų | 91 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 178.4 | -64.3 | 168.3 | 0 | 0 | 0 | 111.2 | E46 V47 A52 E53 N54 | E46-I50 PolarHBondContact O-N 3.44Å; E46-I50 VanDerWaalsContact O-N 3.15Å; V47-I50 PolarHBondContact O-N 2.8Å; I50-A52 VanDerWaalsContact C-N 3.31Å; I50-A52 PolarHBondContact O-N 3.35Å; I50-E53 PolarHBondContact O-N 3.04Å; I50-N54 PolarHBondContact O-N 3.38Å; I50-N54 PolarHBondContact O-ND2 2.76Å |
| 51 | H | 87.9 | Confident | 90 | Very high | 44 Ų | 44 | 89.4 Ų | 89.4 | 20% | 0.204 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.9 | -32.8 | 177 | -72.7 | -59.9 | 0 | 0 | 0 | 112.5 | E32 K35 V36 V47 A48 N54 A55 | E32-H51 IonicContact OE2-CE1 2.71Å; E32-H51 IonicContact OE2-CG 3.65Å; E32-H51 IonicContact OE2-ND1 3.57Å; E32-H51 PolarHBondContact OE2-ND1 3.43Å; K35-H51 HydrophobicContact CB-CB 4.48Å; V36-H51 VanDerWaalsContact CG2-C 3.45Å; V36-H51 HydrophobicContact CG2-CB 3.45Å; V36-H51 VanDerWaalsContact CG2-CB 3.45Å; V47-H51 PolarHBondContact O-CD2 2.91Å; V47-H51 PolarHBondContact O-N 2.75Å; V47-H51 VanDerWaalsContact O-N 3.12Å; A48-H51 PolarHBondContact O-N 3.29Å; H51-N54 PolarHBondContact O-N 2.87Å; H51-A55 WeakPolarHBondContact O-CB 3.28Å; H51-A55 PolarHBondContact O-N 3.38Å |
| 52 | A | 89.8 | Confident | 90.1 | Very high | 34 Ų | 34 | 81.8 Ų | 81.8 | 28% | 0.281 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | V36 A48 R49 I50 N54 A55 I56 | V36-A52 HydrophobicContact CG2-CB 4.04Å; V36-A52 VanDerWaalsContact CG2-N 3.32Å; A48-A52 VanDerWaalsContact O-CB 3.3Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 2.94Å; R49-A52 PolarHBondContact O-N 3.42Å; I50-A52 VanDerWaalsContact C-N 3.31Å; I50-A52 PolarHBondContact O-N 3.35Å; A52-N54 VanDerWaalsContact C-N 3.34Å; A52-N54 PolarHBondContact O-N 3.08Å; A52-A55 WeakPolarHBondContact O-CB 3.42Å; A52-A55 PolarHBondContact O-N 3.31Å; A52-I56 WeakPolarHBondContact O-CG1 3.4Å; A52-I56 PolarHBondContact O-N 3.34Å |
| 53 | E | 91.6 | Very high | 90.3 | Very high | 133 Ų | 133 | 77.4 Ų | 77.4 | 62% | 0.621 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.9 | -45.5 | 174.1 | -173.2 | -176.9 | 167.6 | 0 | 0 | 111.2 | R49 I50 A55 I56 R57 | R49-E53 PolarHBondContact O-N 3.5Å; I50-E53 PolarHBondContact O-N 3.04Å; E53-A55 VanDerWaalsContact C-N 3.32Å; E53-A55 PolarHBondContact O-N 2.76Å; E53-I56 PolarHBondContact O-N 2.86Å; E53-R57 WeakPolarHBondContact O-CB 3.22Å; E53-R57 PolarHBondContact O-N 3.02Å |
| 54 | N | 89.2 | Confident | 90.4 | Very high | 45 Ų | 45 | 79 Ų | 79 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60 | -40.8 | 175.1 | -81.7 | -41.4 | 0 | 0 | 0 | 112.6 | E32 I50 H51 A52 R57 Q58 | E32-N54 HydrophobicContact CG-CB 4.24Å; I50-N54 PolarHBondContact O-N 3.38Å; I50-N54 PolarHBondContact O-ND2 2.76Å; H51-N54 PolarHBondContact O-N 2.87Å; A52-N54 VanDerWaalsContact C-N 3.34Å; A52-N54 PolarHBondContact O-N 3.08Å; N54-R57 PolarHBondContact O-N 2.77Å; N54-R57 PolarHBondContact OD1-NH2 3.15Å; N54-Q58 WeakPolarHBondContact O-CB 3.41Å; N54-Q58 WeakPolarHBondContact O-CG 3.27Å; N54-Q58 PolarHBondContact O-N 3.39Å |
| 55 | A | 90.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 77.5 Ų | 77.5 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E29 E32 K33 H51 A52 E53 Q58 K59 | E29-A55 HydrophobicContact CG-CB 4.38Å; E29-A55 WeakPolarHBondContact CG-O 3.39Å; E32-A55 HydrophobicContact CB-CB 3.94Å; K33-A55 HydrophobicContact CG-CB 4.17Å; H51-A55 WeakPolarHBondContact O-CB 3.28Å; H51-A55 PolarHBondContact O-N 3.38Å; A52-A55 WeakPolarHBondContact O-CB 3.42Å; A52-A55 PolarHBondContact O-N 3.31Å; E53-A55 VanDerWaalsContact C-N 3.32Å; E53-A55 PolarHBondContact O-N 2.76Å; A55-Q58 PolarHBondContact O-N 3.24Å; A55-K59 PolarHBondContact O-N 2.9Å |
| 56 | I | 91.9 | Very high | 90.8 | Very high | 105 Ų | 105 | 77 Ų | 77 | 54% | 0.538 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 177.5 | -66.6 | 169.9 | 0 | 0 | 0 | 110.7 | A52 E53 Q58 K59 N60 | A52-I56 WeakPolarHBondContact O-CG1 3.4Å; A52-I56 PolarHBondContact O-N 3.34Å; E53-I56 PolarHBondContact O-N 2.86Å; I56-Q58 VanDerWaalsContact C-N 3.32Å; I56-Q58 PolarHBondContact O-N 2.82Å; I56-K59 PolarHBondContact O-N 3.45Å; I56-N60 PolarHBondContact O-N 2.71Å |
| 57 | R | 93.1 | Very high | 91 | Very high | 128 Ų | 128 | 76.2 Ų | 76.2 | 48% | 0.483 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 176.4 | -176.9 | 173.2 | 63.6 | 115.1 | -1.2 | 111.5 | E53 N54 N60 Q61 | E53-R57 WeakPolarHBondContact O-CB 3.22Å; E53-R57 PolarHBondContact O-N 3.02Å; N54-R57 PolarHBondContact O-N 2.77Å; N54-R57 PolarHBondContact OD1-NH2 3.15Å; R57-N60 PolarHBondContact O-N 3Å; R57-Q61 WeakPolarHBondContact O-CB 3.45Å; R57-Q61 WeakPolarHBondContact O-CG 3.41Å; R57-Q61 PolarHBondContact O-N 3.49Å |
| 58 | Q | 93.9 | Very high | 91.3 | Very high | 21 Ų | 21 | 77 Ų | 77 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 178.9 | -69.7 | -73 | 23.1 | 0 | 0 | 112.6 | C25 E28 E29 N54 A55 I56 N60 Q61 S62 | C25-Q58 PolarHBondContact SG-OE1 2.97Å; E28-Q58 HydrophobicContact CB-CG 4.4Å; E28-Q58 PolarHBondContact OE2-NE2 3.18Å; E29-Q58 HydrophobicContact CB-CB 4.05Å; N54-Q58 WeakPolarHBondContact O-CB 3.41Å; N54-Q58 WeakPolarHBondContact O-CG 3.27Å; N54-Q58 PolarHBondContact O-N 3.39Å; A55-Q58 PolarHBondContact O-N 3.24Å; I56-Q58 VanDerWaalsContact C-N 3.32Å; I56-Q58 PolarHBondContact O-N 2.82Å; Q58-N60 PolarHBondContact O-N 3.46Å; Q58-Q61 PolarHBondContact O-N 3.4Å; Q58-S62 WeakPolarHBondContact O-CB 3.12Å; Q58-S62 PolarHBondContact O-N 3.21Å |
| 59 | K | 92.8 | Very high | 91.6 | Very high | 114 Ų | 114 | 77.1 Ų | 77.1 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 173 | -175.2 | 176.3 | 179.4 | 179.3 | 0 | 111.4 | E29 A55 I56 Q61 S62 V63 | E29-K59 HydrophobicContact CG-CB 4.16Å; A55-K59 PolarHBondContact O-N 2.9Å; I56-K59 PolarHBondContact O-N 3.45Å; K59-Q61 PolarHBondContact O-N 3.11Å; K59-S62 WeakPolarHBondContact O-CB 3.47Å; K59-S62 PolarHBondContact O-N 3.45Å; K59-V63 WeakPolarHBondContact O-CG2 3.37Å; K59-V63 PolarHBondContact O-N 3.46Å; K59-V63 VanDerWaalsContact O-N 3.11Å |
| 60 | N | 89.9 | Confident | 91.8 | Very high | 102 Ų | 102 | 71.7 Ų | 71.7 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 179.7 | -70.4 | -12.8 | 0 | 0 | 0 | 111.9 | I56 R57 Q58 V63 N64 | I56-N60 PolarHBondContact O-N 2.71Å; R57-N60 PolarHBondContact O-N 3Å; Q58-N60 PolarHBondContact O-N 3.46Å; N60-V63 PolarHBondContact O-N 2.88Å; N60-N64 WeakPolarHBondContact O-CB 3.44Å; N60-N64 PolarHBondContact O-N 2.95Å |
| 61 | Q | 91.7 | Very high | 91.8 | Very high | 74 Ų | 74 | 75 Ų | 75 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 174.6 | -77.6 | -177.1 | -16.1 | 0 | 0 | 112.1 | R57 Q58 K59 N64 F65 | R57-Q61 WeakPolarHBondContact O-CB 3.45Å; R57-Q61 WeakPolarHBondContact O-CG 3.41Å; R57-Q61 PolarHBondContact O-N 3.49Å; Q58-Q61 PolarHBondContact O-N 3.4Å; K59-Q61 PolarHBondContact O-N 3.11Å; Q61-N64 PolarHBondContact O-N 3.09Å; Q61-F65 HydrophobicContact CB-CE2 4.4Å; Q61-F65 VanDerWaalsContact O-CD2 3.25Å; Q61-F65 WeakPolarHBondContact O-CD2 3.34Å; Q61-F65 WeakPolarHBondContact O-CG 3.34Å; Q61-F65 PolarHBondContact O-N 3.35Å |
| 62 | S | 93.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 74.9 Ų | 74.9 | 3% | 0.028 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.8 | -50.1 | 176.5 | -179.3 | 0 | 0 | 0 | 0 | 112 | S22 D26 Q58 K59 N64 F65 L66 | S22-S62 PolarHBondContact O-OG 3.48Å; S22-S62 VanDerWaalsContact O-OG 3.12Å; S22-S62 PolarHBondContact OG-O 2.78Å; S22-S62 PolarHBondContact OG-OG 3.36Å; D26-S62 WeakPolarHBondContact OD1-CB 3.42Å; D26-S62 PolarHBondContact OD1-OG 2.89Å; D26-S62 PolarHBondContact OD2-OG 2.85Å; Q58-S62 WeakPolarHBondContact O-CB 3.12Å; Q58-S62 PolarHBondContact O-N 3.21Å; K59-S62 WeakPolarHBondContact O-CB 3.47Å; K59-S62 PolarHBondContact O-N 3.45Å; S62-N64 VanDerWaalsContact C-N 3.29Å; S62-N64 PolarHBondContact O-N 3.31Å; S62-F65 PolarHBondContact O-N 2.79Å; S62-L66 WeakPolarHBondContact O-CB 3.36Å; S62-L66 PolarHBondContact O-N 3.3Å |
| 63 | V | 93.2 | Very high | 92.2 | Very high | 72 Ų | 72 | 77.6 Ų | 77.6 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | K59 N60 L66 R67 | K59-V63 WeakPolarHBondContact O-CG2 3.37Å; K59-V63 PolarHBondContact O-N 3.46Å; K59-V63 VanDerWaalsContact O-N 3.11Å; N60-V63 PolarHBondContact O-N 2.88Å; V63-L66 PolarHBondContact O-N 2.86Å; V63-R67 WeakPolarHBondContact O-CB 3.25Å; V63-R67 PolarHBondContact O-N 2.84Å |
| 64 | N | 91.6 | Very high | 92.2 | Very high | 86 Ų | 86 | 73.6 Ų | 73.6 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 178.6 | -163 | 9.6 | 0 | 0 | 0 | 111.9 | N60 Q61 S62 L66 R67 M68 | N60-N64 WeakPolarHBondContact O-CB 3.44Å; N60-N64 PolarHBondContact O-N 2.95Å; Q61-N64 PolarHBondContact O-N 3.09Å; S62-N64 VanDerWaalsContact C-N 3.29Å; S62-N64 PolarHBondContact O-N 3.31Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 3.17Å; N64-R67 PolarHBondContact O-N 2.89Å; N64-M68 WeakPolarHBondContact O-CB 3.4Å; N64-M68 WeakPolarHBondContact O-CG 3.44Å; N64-M68 PolarHBondContact O-N 3.43Å |
| 65 | F | 93.5 | Very high | 92.3 | Very high | 60 Ų | 60 | 74.7 Ų | 74.7 | 26% | 0.263 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 174.8 | -73.8 | -41.8 | 0 | 0 | 0 | 112.6 | L18 Q61 S62 M68 S69 | L18-F65 HydrophobicContact CD2-CD1 3.67Å; L18-F65 HydrophobicContact CD2-CE1 4.13Å; Q61-F65 HydrophobicContact CB-CE2 4.4Å; Q61-F65 VanDerWaalsContact O-CD2 3.25Å; Q61-F65 WeakPolarHBondContact O-CD2 3.34Å; Q61-F65 WeakPolarHBondContact O-CG 3.34Å; Q61-F65 PolarHBondContact O-N 3.35Å; S62-F65 PolarHBondContact O-N 2.79Å; F65-M68 PolarHBondContact O-N 3.18Å; F65-S69 VanDerWaalsContact O-CB 3.25Å; F65-S69 WeakPolarHBondContact O-CB 3.31Å; F65-S69 PolarHBondContact O-N 3.37Å |
| 66 | L | 92.2 | Very high | 92.5 | Very high | 93 Ų | 93 | 74.4 Ų | 74.4 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176 | -174.6 | 62.6 | 0 | 0 | 0 | 111.4 | S62 V63 N64 S69 A70 | S62-L66 WeakPolarHBondContact O-CB 3.36Å; S62-L66 PolarHBondContact O-N 3.3Å; V63-L66 PolarHBondContact O-N 2.86Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 3.17Å; L66-S69 WeakPolarHBondContact O-CB 3.47Å; L66-S69 PolarHBondContact O-N 2.83Å; L66-A70 PolarHBondContact O-N 2.96Å |
| 67 | R | 92.3 | Very high | 92.5 | Very high | 137 Ų | 137 | 72 Ų | 72 | 52% | 0.517 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.3 | -173.6 | -176.4 | -66.2 | 162.1 | -2.7 | 111.9 | V63 N64 R71 | V63-R67 WeakPolarHBondContact O-CB 3.25Å; V63-R67 PolarHBondContact O-N 2.84Å; N64-R67 PolarHBondContact O-N 2.89Å; R67-R71 WeakPolarHBondContact O-CG 3.49Å; R67-R71 PolarHBondContact O-N 3.39Å; R67-R71 VanDerWaalsContact O-N 3.11Å |
| 68 | M | 92.4 | Very high | 92.3 | Very high | 79 Ų | 79 | 74.8 Ų | 74.8 | 39% | 0.389 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.6 | -72.4 | 176.7 | 60.6 | 0 | 0 | 111.5 | L18 N64 F65 A70 R71 I72 | L18-M68 HydrophobicContact CD1-CB 3.86Å; L18-M68 HydrophobicContact CD1-CE 4.37Å; N64-M68 WeakPolarHBondContact O-CB 3.4Å; N64-M68 WeakPolarHBondContact O-CG 3.44Å; N64-M68 PolarHBondContact O-N 3.43Å; F65-M68 PolarHBondContact O-N 3.18Å; M68-A70 PolarHBondContact O-N 3.13Å; M68-R71 PolarHBondContact O-N 2.94Å; M68-I72 WeakPolarHBondContact O-CG1 3.42Å; M68-I72 PolarHBondContact O-N 3.09Å |
| 69 | S | 94.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 75.5 Ų | 75.5 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | A15 F65 L66 R71 I72 D73 | A15-S69 PolarHBondContact O-OG 3.19Å; F65-S69 VanDerWaalsContact O-CB 3.25Å; F65-S69 WeakPolarHBondContact O-CB 3.31Å; F65-S69 PolarHBondContact O-N 3.37Å; L66-S69 WeakPolarHBondContact O-CB 3.47Å; L66-S69 PolarHBondContact O-N 2.83Å; S69-R71 VanDerWaalsContact C-N 3.34Å; S69-R71 PolarHBondContact O-N 3.4Å; S69-I72 PolarHBondContact O-N 3.47Å; S69-D73 WeakPolarHBondContact O-CB 3.47Å; S69-D73 PolarHBondContact O-N 3.23Å |
| 70 | A | 92.1 | Very high | 92.2 | Very high | 61 Ų | 61 | 73.2 Ų | 73.2 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L66 M68 D73 A74 | L66-A70 PolarHBondContact O-N 2.96Å; M68-A70 PolarHBondContact O-N 3.13Å; A70-D73 PolarHBondContact O-N 3.05Å; A70-A74 WeakPolarHBondContact O-CB 3.33Å; A70-A74 PolarHBondContact O-N 2.77Å |
| 71 | R | 91.8 | Very high | 92.3 | Very high | 168 Ų | 168 | 73 Ų | 73 | 63% | 0.634 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.5 | -43.8 | 176.4 | -72.5 | 175 | 179.3 | -171.4 | -1.3 | 112.2 | R67 M68 S69 A74 V75 | R67-R71 WeakPolarHBondContact O-CG 3.49Å; R67-R71 PolarHBondContact O-N 3.39Å; R67-R71 VanDerWaalsContact O-N 3.11Å; M68-R71 PolarHBondContact O-N 2.94Å; S69-R71 VanDerWaalsContact C-N 3.34Å; S69-R71 PolarHBondContact O-N 3.4Å; R71-A74 PolarHBondContact O-N 2.7Å; R71-V75 WeakPolarHBondContact O-CG2 3.37Å; R71-V75 PolarHBondContact O-N 3.49Å; R71-V75 VanDerWaalsContact O-N 3.12Å |
| 72 | I | 93.4 | Very high | 92.1 | Very high | 41 Ų | 41 | 71.8 Ų | 71.8 | 21% | 0.21 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 178.6 | -66.1 | -178.6 | 0 | 0 | 0 | 110.6 | L11 A15 L18 M68 S69 V75 A76 | L11-I72 HydrophobicContact CB-CG2 4.31Å; L11-I72 HydrophobicContact CD2-CG2 4Å; L11-I72 VanDerWaalsContact O-CG2 3.29Å; L11-I72 WeakPolarHBondContact O-CG2 3.49Å; A15-I72 HydrophobicContact CB-CB 4.19Å; A15-I72 HydrophobicContact CB-CG2 3.89Å; L18-I72 HydrophobicContact CD1-CD1 3.52Å; M68-I72 WeakPolarHBondContact O-CG1 3.42Å; M68-I72 PolarHBondContact O-N 3.09Å; S69-I72 PolarHBondContact O-N 3.47Å; I72-V75 PolarHBondContact O-N 2.85Å; I72-A76 WeakPolarHBondContact O-CB 3.09Å; I72-A76 PolarHBondContact O-N 2.9Å |
| 73 | D | 92 | Very high | 92 | Very high | 91 Ų | 91 | 72 Ų | 72 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 178 | -163.5 | 51.2 | 0 | 0 | 0 | 111.7 | A15 S69 A70 V75 A76 A77 | A15-D73 HydrophobicContact CB-CB 4.17Å; S69-D73 WeakPolarHBondContact O-CB 3.47Å; S69-D73 PolarHBondContact O-N 3.23Å; A70-D73 PolarHBondContact O-N 3.05Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 3.49Å; D73-A76 WeakPolarHBondContact O-CB 3.26Å; D73-A76 PolarHBondContact O-N 3.34Å; D73-A76 VanDerWaalsContact O-N 3.16Å; D73-A77 PolarHBondContact O-N 2.99Å |
| 74 | A | 91.4 | Very high | 91.8 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 41% | 0.405 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A70 R71 A77 R78 | A70-A74 WeakPolarHBondContact O-CB 3.33Å; A70-A74 PolarHBondContact O-N 2.77Å; R71-A74 PolarHBondContact O-N 2.7Å; A74-A77 PolarHBondContact O-N 3.44Å; A74-R78 PolarHBondContact O-N 2.83Å |
| 75 | V | 92.7 | Very high | 91.7 | Very high | 68 Ų | 68 | 73.6 Ų | 73.6 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 174.4 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | L11 R71 I72 D73 A77 R78 V79 | L11-V75 HydrophobicContact CD1-CG1 4.31Å; R71-V75 WeakPolarHBondContact O-CG2 3.37Å; R71-V75 PolarHBondContact O-N 3.49Å; R71-V75 VanDerWaalsContact O-N 3.12Å; I72-V75 PolarHBondContact O-N 2.85Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 3.49Å; V75-A77 VanDerWaalsContact C-N 3.31Å; V75-A77 PolarHBondContact O-N 2.91Å; V75-R78 PolarHBondContact O-N 3.18Å; V75-V79 HydrophobicContact CG1-CG2 4.37Å; V75-V79 WeakPolarHBondContact O-CG2 3.09Å; V75-V79 PolarHBondContact O-N 3.41Å |
| 76 | A | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L8 L11 K12 I72 D73 V79 Q80 | L8-A76 HydrophobicContact CD1-CB 4.21Å; L8-A76 WeakPolarHBondContact CD1-O 3.32Å; L11-A76 HydrophobicContact CB-CB 3.97Å; K12-A76 HydrophobicContact CG-CB 3.89Å; I72-A76 WeakPolarHBondContact O-CB 3.09Å; I72-A76 PolarHBondContact O-N 2.9Å; D73-A76 WeakPolarHBondContact O-CB 3.26Å; D73-A76 PolarHBondContact O-N 3.34Å; D73-A76 VanDerWaalsContact O-N 3.16Å; A76-V79 PolarHBondContact O-N 2.83Å; A76-Q80 WeakPolarHBondContact O-CB 3.4Å; A76-Q80 PolarHBondContact O-N 3.07Å |
| 77 | A | 91.8 | Very high | 91.3 | Very high | 53 Ų | 53 | 75 Ų | 75 | 44% | 0.438 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D73 A74 V75 V79 Q80 T81 | D73-A77 PolarHBondContact O-N 2.99Å; A74-A77 PolarHBondContact O-N 3.44Å; V75-A77 VanDerWaalsContact C-N 3.31Å; V75-A77 PolarHBondContact O-N 2.91Å; A77-V79 PolarHBondContact O-N 3.11Å; A77-Q80 WeakPolarHBondContact O-CB 3.34Å; A77-Q80 PolarHBondContact O-N 2.96Å; A77-T81 PolarHBondContact O-N 3.26Å; A77-T81 PolarHBondContact O-OG1 2.99Å |
| 78 | R | 90.3 | Very high | 91.3 | Very high | 188 Ų | 188 | 71.6 Ų | 71.6 | 71% | 0.709 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.4 | -42.1 | 175.3 | -70.8 | -179.4 | -178.4 | 146.2 | 0.6 | 112.5 | A74 V75 Q80 T81 A82 | A74-R78 PolarHBondContact O-N 2.83Å; V75-R78 PolarHBondContact O-N 3.18Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; R78-T81 PolarHBondContact O-N 3.36Å; R78-A82 PolarHBondContact O-N 3.49Å |
| 79 | V | 91.8 | Very high | 91.2 | Very high | 35 Ų | 35 | 71.6 Ų | 71.6 | 21% | 0.212 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 176.6 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | M4 L8 L11 V75 A76 A77 T81 A82 V83 | M4-V79 HydrophobicContact CG-CG1 4.06Å; L8-V79 HydrophobicContact CB-CG1 3.99Å; L8-V79 HydrophobicContact CD1-CB 4.06Å; L8-V79 HydrophobicContact CD1-CG1 4.03Å; L8-V79 HydrophobicContact CG-CG1 4.46Å; L11-V79 HydrophobicContact CD1-CG2 4.2Å; V75-V79 HydrophobicContact CG1-CG2 4.37Å; V75-V79 WeakPolarHBondContact O-CG2 3.09Å; V75-V79 PolarHBondContact O-N 3.41Å; A76-V79 PolarHBondContact O-N 2.83Å; A77-V79 PolarHBondContact O-N 3.11Å; V79-T81 PolarHBondContact O-N 3.2Å; V79-A82 PolarHBondContact O-N 3.25Å; V79-V83 HydrophobicContact CG1-CG2 4.38Å; V79-V83 WeakPolarHBondContact O-CG2 3.4Å; V79-V83 PolarHBondContact O-N 2.94Å |
| 80 | Q | 91.6 | Very high | 91 | Very high | 66 Ų | 66 | 77.4 Ų | 77.4 | 31% | 0.308 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 174.1 | 179.5 | 70.6 | 69.9 | 0 | 0 | 111.2 | L8 A76 A77 R78 A82 V83 T84 | L8-Q80 HydrophobicContact CD1-CB 4.07Å; L8-Q80 HydrophobicContact CD2-CB 4Å; L8-Q80 HydrophobicContact CD2-CG 4.45Å; A76-Q80 WeakPolarHBondContact O-CB 3.4Å; A76-Q80 PolarHBondContact O-N 3.07Å; A77-Q80 WeakPolarHBondContact O-CB 3.34Å; A77-Q80 PolarHBondContact O-N 2.96Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-A82 VanDerWaalsContact C-N 3.33Å; Q80-A82 PolarHBondContact O-N 3.17Å; Q80-V83 PolarHBondContact O-N 3.1Å; Q80-T84 PolarHBondContact O-N 3.08Å; Q80-T84 PolarHBondContact O-OG1 3.37Å; Q80-T84 VanDerWaalsContact O-OG1 3.08Å |
| 81 | T | 92.2 | Very high | 91 | Very high | 97 Ų | 97 | 78.3 Ų | 78.3 | 60% | 0.595 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59 | -46 | 175.9 | -56.5 | 0 | 0 | 0 | 0 | 111 | A77 R78 V79 V83 T84 M85 | A77-T81 PolarHBondContact O-N 3.26Å; A77-T81 PolarHBondContact O-OG1 2.99Å; R78-T81 PolarHBondContact O-N 3.36Å; V79-T81 PolarHBondContact O-N 3.2Å; T81-V83 PolarHBondContact O-N 3.02Å; T81-T84 PolarHBondContact O-N 3.33Å; T81-M85 WeakPolarHBondContact O-CB 3.47Å; T81-M85 PolarHBondContact O-N 3.03Å |
| 82 | A | 88.4 | Confident | 90.8 | Very high | 49 Ų | 49 | 76.1 Ų | 76.1 | 41% | 0.405 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R78 V79 Q80 N86 | R78-A82 PolarHBondContact O-N 3.49Å; V79-A82 PolarHBondContact O-N 3.25Å; Q80-A82 VanDerWaalsContact C-N 3.33Å; Q80-A82 PolarHBondContact O-N 3.17Å; A82-N86 WeakPolarHBondContact O-CB 3.49Å; A82-N86 PolarHBondContact O-N 3.26Å |
| 83 | V | 89.7 | Confident | 90.6 | Very high | 9 Ų | 9 | 76.6 Ų | 76.6 | 6% | 0.055 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 175.4 | 168.6 | 0 | 0 | 0 | 0 | 111 | M4 E5 L8 V79 Q80 T81 N86 K87 | M4-V83 HydrophobicContact CB-CG2 4.05Å; M4-V83 HydrophobicContact CG-CG2 3.47Å; M4-V83 VanDerWaalsContact CG-CG2 3.47Å; M4-V83 HydrophobicContact SD-CG2 3.63Å; E5-V83 HydrophobicContact CG-CG1 3.85Å; L8-V83 HydrophobicContact CD2-CB 4.5Å; L8-V83 HydrophobicContact CD2-CG2 4.21Å; V79-V83 HydrophobicContact CG1-CG2 4.38Å; V79-V83 WeakPolarHBondContact O-CG2 3.4Å; V79-V83 PolarHBondContact O-N 2.94Å; Q80-V83 PolarHBondContact O-N 3.1Å; T81-V83 PolarHBondContact O-N 3.02Å; V83-N86 PolarHBondContact O-N 3.49Å; V83-K87 WeakPolarHBondContact O-CG 3.34Å; V83-K87 PolarHBondContact O-N 3.27Å |
| 84 | T | 89.6 | Confident | 90.6 | Very high | 69 Ų | 69 | 74.4 Ų | 74.4 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | Q80 T81 N86 K87 V88 | Q80-T84 PolarHBondContact O-N 3.08Å; Q80-T84 PolarHBondContact O-OG1 3.37Å; Q80-T84 VanDerWaalsContact O-OG1 3.08Å; T81-T84 PolarHBondContact O-N 3.33Å; T84-N86 VanDerWaalsContact C-N 3.32Å; T84-N86 PolarHBondContact O-N 3.08Å; T84-K87 WeakPolarHBondContact O-CB 3.34Å; T84-K87 PolarHBondContact O-N 3.44Å; T84-K87 VanDerWaalsContact O-N 3.11Å; T84-V88 WeakPolarHBondContact O-CG2 2.98Å; T84-V88 PolarHBondContact O-N 3.23Å |
| 85 | M | 89.6 | Confident | 90.5 | Very high | 122 Ų | 122 | 76.9 Ų | 76.9 | 60% | 0.601 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.8 | -41.3 | 177.4 | -162.3 | 65.6 | 176.9 | 0 | 0 | 111.3 | T81 K87 V88 T89 | T81-M85 WeakPolarHBondContact O-CB 3.47Å; T81-M85 PolarHBondContact O-N 3.03Å; M85-K87 VanDerWaalsContact C-N 3.3Å; M85-K87 PolarHBondContact O-N 3.21Å; M85-V88 PolarHBondContact O-N 3.47Å; M85-T89 PolarHBondContact O-N 3.35Å; M85-T89 PolarHBondContact O-OG1 3.16Å |
| 86 | N | 88.6 | Confident | 90.3 | Very high | 76 Ų | 76 | 77.9 Ų | 77.9 | 41% | 0.406 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 175.2 | -167.2 | -88.3 | 0 | 0 | 0 | 112.4 | A82 V83 T84 K90 | A82-N86 WeakPolarHBondContact O-CB 3.49Å; A82-N86 PolarHBondContact O-N 3.26Å; V83-N86 PolarHBondContact O-N 3.49Å; T84-N86 VanDerWaalsContact C-N 3.32Å; T84-N86 PolarHBondContact O-N 3.08Å; N86-K90 WeakPolarHBondContact O-CB 3.38Å; N86-K90 WeakPolarHBondContact O-CG 3.42Å; N86-K90 PolarHBondContact O-N 3.44Å; N86-K90 WeakPolarHBondContact OD1-CE 3.34Å; N86-K90 PolarHBondContact OD1-NZ 2.93Å |
| 87 | K | 89.3 | Confident | 90.1 | Very high | 107 Ų | 107 | 85.6 Ų | 85.6 | 47% | 0.465 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 174.4 | -71 | 177.3 | -178.4 | -177.9 | 0 | 111.2 | E5 V83 T84 M85 K90 S91 | E5-K87 WeakPolarHBondContact OE1-CE 3.19Å; E5-K87 IonicContact OE1-NZ 3.48Å; E5-K87 PolarHBondContact OE1-NZ 2.83Å; V83-K87 WeakPolarHBondContact O-CG 3.34Å; V83-K87 PolarHBondContact O-N 3.27Å; T84-K87 WeakPolarHBondContact O-CB 3.34Å; T84-K87 PolarHBondContact O-N 3.44Å; T84-K87 VanDerWaalsContact O-N 3.11Å; M85-K87 VanDerWaalsContact C-N 3.3Å; M85-K87 PolarHBondContact O-N 3.21Å; K87-K90 PolarHBondContact O-N 3.01Å; K87-S91 PolarHBondContact O-N 3.49Å; K87-S91 PolarHBondContact O-OG 3.45Å |
| 88 | V | 91.2 | Very high | 89.8 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 39% | 0.394 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | T84 M85 K90 S91 M92 | T84-V88 WeakPolarHBondContact O-CG2 2.98Å; T84-V88 PolarHBondContact O-N 3.23Å; M85-V88 PolarHBondContact O-N 3.47Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 2.89Å; V88-S91 PolarHBondContact O-N 3.27Å; V88-S91 VanDerWaalsContact O-N 3.17Å; V88-M92 HydrophobicContact CG1-CG 4.32Å; V88-M92 HydrophobicContact CG1-SD 3.99Å; V88-M92 WeakPolarHBondContact O-CG 3.48Å; V88-M92 PolarHBondContact O-N 3.42Å |
| 89 | T | 90.1 | Very high | 89.3 | Confident | 79 Ų | 79 | 81 Ų | 81 | 49% | 0.485 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 177.4 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | M85 M92 A93 | M85-T89 PolarHBondContact O-N 3.35Å; M85-T89 PolarHBondContact O-OG1 3.16Å; T89-M92 PolarHBondContact O-N 2.7Å; T89-A93 WeakPolarHBondContact O-CB 3.34Å; T89-A93 PolarHBondContact O-N 3.4Å |
| 90 | K | 90.6 | Very high | 88.8 | Confident | 132 Ų | 132 | 83.3 Ų | 83.3 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.9 | -43.2 | 175.8 | -79.2 | 177.9 | 178.2 | 171.5 | 0 | 112.4 | N86 K87 V88 A93 G94 | N86-K90 WeakPolarHBondContact O-CB 3.38Å; N86-K90 WeakPolarHBondContact O-CG 3.42Å; N86-K90 PolarHBondContact O-N 3.44Å; N86-K90 WeakPolarHBondContact OD1-CE 3.34Å; N86-K90 PolarHBondContact OD1-NZ 2.93Å; K87-K90 PolarHBondContact O-N 3.01Å; V88-K90 VanDerWaalsContact C-N 3.32Å; V88-K90 PolarHBondContact O-N 2.89Å; K90-A93 PolarHBondContact O-N 3.12Å; K90-G94 PolarHBondContact O-N 2.85Å |
| 91 | S | 91.3 | Very high | 88.4 | Confident | 81 Ų | 81 | 83 Ų | 83 | 57% | 0.566 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.5 | -47 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | K87 V88 A93 G94 V95 | K87-S91 PolarHBondContact O-N 3.49Å; K87-S91 PolarHBondContact O-OG 3.45Å; V88-S91 PolarHBondContact O-N 3.27Å; V88-S91 VanDerWaalsContact O-N 3.17Å; S91-A93 VanDerWaalsContact C-N 3.35Å; S91-A93 PolarHBondContact O-N 3.46Å; S91-G94 PolarHBondContact O-N 3.34Å; S91-G94 VanDerWaalsContact O-N 3.13Å; S91-V95 WeakPolarHBondContact O-CG2 3.41Å; S91-V95 PolarHBondContact O-N 3.16Å |
| 92 | M | 87.9 | Confident | 87.6 | Confident | 122 Ų | 122 | 81.8 Ų | 81.8 | 60% | 0.601 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60 | -42.6 | 175.8 | -72.3 | 179.9 | 80.8 | 0 | 0 | 111.8 | V88 T89 G94 V95 V96 | V88-M92 HydrophobicContact CG1-CG 4.32Å; V88-M92 HydrophobicContact CG1-SD 3.99Å; V88-M92 WeakPolarHBondContact O-CG 3.48Å; V88-M92 PolarHBondContact O-N 3.42Å; T89-M92 PolarHBondContact O-N 2.7Å; M92-G94 VanDerWaalsContact C-N 3.28Å; M92-G94 PolarHBondContact O-N 3.41Å; M92-V95 PolarHBondContact O-N 2.95Å; M92-V96 VanDerWaalsContact O-CG2 3.31Å; M92-V96 WeakPolarHBondContact O-CG2 3.07Å; M92-V96 PolarHBondContact O-N 3.23Å |
| 93 | A | 90.8 | Very high | 86.7 | Confident | 51 Ų | 51 | 83.1 Ų | 83.1 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T89 K90 S91 K97 | T89-A93 WeakPolarHBondContact O-CB 3.34Å; T89-A93 PolarHBondContact O-N 3.4Å; K90-A93 PolarHBondContact O-N 3.12Å; S91-A93 VanDerWaalsContact C-N 3.35Å; S91-A93 PolarHBondContact O-N 3.46Å; A93-K97 WeakPolarHBondContact O-CB 3.45Å; A93-K97 WeakPolarHBondContact O-CG 3.41Å; A93-K97 PolarHBondContact O-N 3.44Å; A93-K97 VanDerWaalsContact O-N 3.09Å |
| 94 | G | 90 | Very high | 85.9 | Confident | 45 Ų | 45 | 90.6 Ų | 90.6 | 46% | 0.464 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K90 S91 M92 K97 G98 | K90-G94 PolarHBondContact O-N 2.85Å; S91-G94 PolarHBondContact O-N 3.34Å; S91-G94 VanDerWaalsContact O-N 3.13Å; M92-G94 VanDerWaalsContact C-N 3.28Å; M92-G94 PolarHBondContact O-N 3.41Å; G94-K97 PolarHBondContact O-N 2.9Å; G94-G98 PolarHBondContact O-N 3.45Å |
| 95 | V | 89.8 | Confident | 84.9 | Confident | 101 Ų | 101 | 92 Ų | 92 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -47.3 | 176.7 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | S91 M92 K97 G98 M99 | S91-V95 WeakPolarHBondContact O-CG2 3.41Å; S91-V95 PolarHBondContact O-N 3.16Å; M92-V95 PolarHBondContact O-N 2.95Å; V95-K97 VanDerWaalsContact C-N 3.33Å; V95-K97 PolarHBondContact O-N 2.8Å; V95-G98 CarbonylContact O-C 3.56Å; V95-G98 PolarHBondContact O-N 3.03Å; V95-G98 VanDerWaalsContact O-N 3.15Å; V95-M99 WeakPolarHBondContact O-CB 3.26Å; V95-M99 PolarHBondContact O-N 3.5Å |
| 96 | V | 88.5 | Confident | 83.3 | Confident | 88 Ų | 88 | 89.1 Ų | 89.1 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 179 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | M92 M99 D100 | M92-V96 VanDerWaalsContact O-CG2 3.31Å; M92-V96 WeakPolarHBondContact O-CG2 3.07Å; M92-V96 PolarHBondContact O-N 3.23Å; V96-M99 PolarHBondContact O-N 3.34Å; V96-D100 PolarHBondContact O-N 2.98Å |
| 97 | K | 89.5 | Confident | 81.9 | Confident | 162 Ų | 162 | 91.5 Ų | 91.5 | 70% | 0.704 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 173.8 | -77 | -177.9 | 179.5 | -175.6 | 0 | 112.6 | A93 G94 V95 M99 D100 A101 | A93-K97 WeakPolarHBondContact O-CB 3.45Å; A93-K97 WeakPolarHBondContact O-CG 3.41Å; A93-K97 PolarHBondContact O-N 3.44Å; A93-K97 VanDerWaalsContact O-N 3.09Å; G94-K97 PolarHBondContact O-N 2.9Å; V95-K97 VanDerWaalsContact C-N 3.33Å; V95-K97 PolarHBondContact O-N 2.8Å; K97-M99 VanDerWaalsContact C-N 3.28Å; K97-M99 PolarHBondContact O-N 3.31Å; K97-D100 PolarHBondContact O-N 3.06Å; K97-A101 PolarHBondContact O-N 2.96Å; K97-A101 VanDerWaalsContact O-N 3.11Å |
| 98 | G | 85.9 | Confident | 80.6 | Confident | 37 Ų | 37 | 93.2 Ų | 93.2 | 38% | 0.381 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G94 V95 T102 | G94-G98 PolarHBondContact O-N 3.45Å; V95-G98 CarbonylContact O-C 3.56Å; V95-G98 PolarHBondContact O-N 3.03Å; V95-G98 VanDerWaalsContact O-N 3.15Å; G98-T102 WeakPolarHBondContact O-CB 3.42Å; G98-T102 PolarHBondContact O-N 3.29Å; G98-T102 PolarHBondContact O-OG1 2.92Å |
| 99 | M | 79.4 | Confident | 79.3 | Confident | 107 Ų | 107 | 98.1 Ų | 98.1 | 53% | 0.527 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.5 | -42.7 | 177.5 | -159.9 | 173.3 | 83.1 | 0 | 0 | 111.5 | V95 V96 K97 A101 T102 L103 | V95-M99 WeakPolarHBondContact O-CB 3.26Å; V95-M99 PolarHBondContact O-N 3.5Å; V96-M99 PolarHBondContact O-N 3.34Å; K97-M99 VanDerWaalsContact C-N 3.28Å; K97-M99 PolarHBondContact O-N 3.31Å; M99-A101 PolarHBondContact O-N 3.48Å; M99-T102 PolarHBondContact O-N 2.83Å; M99-L103 HydrophobicContact CE-CD1 4.15Å; M99-L103 HydrophobicContact CG-CD1 3.93Å; M99-L103 HydrophobicContact CG-CG 4.25Å; M99-L103 VanDerWaalsContact O-CB 3.28Å; M99-L103 WeakPolarHBondContact O-CB 3.32Å; M99-L103 VanDerWaalsContact O-CG 3.22Å; M99-L103 WeakPolarHBondContact O-CG 3.45Å; M99-L103 PolarHBondContact O-N 3.23Å |
| 100 | D | 80.8 | Confident | 78 | Confident | 84 Ų | 84 | 101 Ų | 101 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.8 | -43.3 | 174.5 | -175.6 | 63.5 | 0 | 0 | 0 | 112.1 | V96 K97 T102 K104 | V96-D100 PolarHBondContact O-N 2.98Å; K97-D100 PolarHBondContact O-N 3.06Å; D100-T102 VanDerWaalsContact C-N 3.35Å; D100-K104 PolarHBondContact O-N 3.27Å; D100-K104 IonicContact OD1-NZ 2.78Å; D100-K104 IonicContact OD2-NZ 3.21Å; D100-K104 PolarHBondContact OD2-NZ 2.89Å |
| 101 | A | 82.8 | Confident | 76.7 | Confident | 61 Ų | 61 | 96.8 Ų | 96.8 | 50% | 0.504 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K97 M99 S105 | K97-A101 PolarHBondContact O-N 2.96Å; K97-A101 VanDerWaalsContact O-N 3.11Å; M99-A101 PolarHBondContact O-N 3.48Å; A101-S105 PolarHBondContact O-N 3.39Å |
| 102 | T | 75.1 | Confident | 75.4 | Confident | 71 Ų | 71 | 96.5 Ų | 96.5 | 44% | 0.436 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.2 | -44.3 | 178.4 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | G98 M99 D100 K104 S105 M106 | G98-T102 WeakPolarHBondContact O-CB 3.42Å; G98-T102 PolarHBondContact O-N 3.29Å; G98-T102 PolarHBondContact O-OG1 2.92Å; M99-T102 PolarHBondContact O-N 2.83Å; D100-T102 VanDerWaalsContact C-N 3.35Å; T102-K104 VanDerWaalsContact C-N 3.33Å; T102-K104 PolarHBondContact O-N 3.11Å; T102-S105 CarbonylContact O-C 3.53Å; T102-S105 WeakPolarHBondContact O-CA 3.11Å; T102-S105 PolarHBondContact O-N 3.3Å; T102-S105 PolarHBondContact O-OG 2.94Å; T102-M106 HydrophobicContact CG2-CG 4.47Å; T102-M106 HydrophobicContact CG2-SD 4.01Å; T102-M106 WeakPolarHBondContact O-CB 3.45Å; T102-M106 PolarHBondContact O-N 2.92Å |
| 103 | L | 70.1 | Confident | 74.8 | Confident | 76 Ų | 76 | 92.6 Ų | 92.6 | 40% | 0.398 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -35.5 | 177.7 | -74.8 | 168.6 | 0 | 0 | 0 | 112.2 | M99 S105 M106 I111 | M99-L103 HydrophobicContact CE-CD1 4.15Å; M99-L103 HydrophobicContact CG-CD1 3.93Å; M99-L103 HydrophobicContact CG-CG 4.25Å; M99-L103 VanDerWaalsContact O-CB 3.28Å; M99-L103 WeakPolarHBondContact O-CB 3.32Å; M99-L103 VanDerWaalsContact O-CG 3.22Å; M99-L103 WeakPolarHBondContact O-CG 3.45Å; M99-L103 PolarHBondContact O-N 3.23Å; L103-S105 PolarHBondContact O-N 2.71Å; L103-M106 PolarHBondContact O-N 2.87Å; L103-I111 HydrophobicContact CD2-CD1 3.41Å; L103-I111 VanDerWaalsContact CD2-CD1 3.41Å; L103-I111 HydrophobicContact CD2-CG1 3.93Å |
| 104 | K | 73.3 | Confident | 73.7 | Confident | 166 Ų | 166 | 94.7 Ų | 94.7 | 72% | 0.722 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.3 | -25.3 | 170.5 | -87 | 172.5 | -178.8 | 139.4 | 0 | 113.8 | D100 T102 | D100-K104 PolarHBondContact O-N 3.27Å; D100-K104 IonicContact OD1-NZ 2.78Å; D100-K104 IonicContact OD2-NZ 3.21Å; D100-K104 PolarHBondContact OD2-NZ 2.89Å; T102-K104 VanDerWaalsContact C-N 3.33Å; T102-K104 PolarHBondContact O-N 3.11Å |
| 105 | S | 67.7 | Low | 72.8 | Confident | 98 Ų | 98 | 98 Ų | 98 | 69% | 0.685 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -100.1 | -9.1 | 179.1 | 75.4 | 0 | 0 | 0 | 0 | 114 | A101 T102 L103 | A101-S105 PolarHBondContact O-N 3.39Å; T102-S105 CarbonylContact O-C 3.53Å; T102-S105 WeakPolarHBondContact O-CA 3.11Å; T102-S105 PolarHBondContact O-N 3.3Å; T102-S105 PolarHBondContact O-OG 2.94Å; L103-S105 PolarHBondContact O-N 2.71Å |
| 106 | M | 56.8 | Low | 72.2 | Confident | 63 Ų | 63 | 98 Ų | 98 | 31% | 0.31 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -107.3 | 123 | -175.4 | -105.4 | -176.7 | 146.6 | 0 | 0 | 111.4 | T102 L103 K110 | T102-M106 HydrophobicContact CG2-CG 4.47Å; T102-M106 HydrophobicContact CG2-SD 4.01Å; T102-M106 WeakPolarHBondContact O-CB 3.45Å; T102-M106 PolarHBondContact O-N 2.92Å; L103-M106 PolarHBondContact O-N 2.87Å; M106-K110 HydrophobicContact CE-CB 3.84Å; M106-K110 HydrophobicContact CE-CD 4.03Å |
| 107 | N | 60.1 | Low | 71.5 | Confident | 126 Ų | 126 | 100.5 Ų | 100.5 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | trans | -63.1 | 141.8 | 172.9 | -122.2 | -30.9 | 0 | 0 | 0 | 111.3 | E109 K110 | N107-E109 PolarHBondContact O-N 3.03Å; N107-K110 PolarHBondContact O-N 3.41Å | ||
| 108 | L | 61.6 | Low | 70.8 | Confident | 142 Ų | 142 | 98.2 Ų | 98.2 | 74% | 0.743 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -50.7 | -30.7 | -177.7 | -83.9 | 156.1 | 0 | 0 | 0 | 114.4 | K110 I111 S112 | L108-K110 VanDerWaalsContact C-N 3.35Å; L108-K110 PolarHBondContact O-N 3.13Å; L108-I111 HydrophobicContact CD2-CD1 4.38Å; L108-I111 WeakPolarHBondContact O-CB 3.36Å; L108-I111 PolarHBondContact O-N 3.04Å; L108-I111 VanDerWaalsContact O-N 3.16Å; L108-S112 PolarHBondContact O-N 3.17Å |
| 109 | E | 63 | Low | 70.4 | Confident | 168 Ų | 168 | 103.1 Ų | 103.1 | 79% | 0.785 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.3 | -35.9 | 175 | -83.9 | 178.5 | 152.7 | 0 | 0 | 113.8 | N107 I111 | N107-E109 PolarHBondContact O-N 3.03Å; E109-I111 VanDerWaalsContact C-N 3.3Å |
| 110 | K | 62.7 | Low | 70.5 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -76.3 | -21 | 176.6 | -66.3 | -172.6 | 178.7 | 178.1 | 0 | 112.4 | M106 N107 L108 L114 | M106-K110 HydrophobicContact CE-CB 3.84Å; M106-K110 HydrophobicContact CE-CD 4.03Å; N107-K110 PolarHBondContact O-N 3.41Å; L108-K110 VanDerWaalsContact C-N 3.35Å; L108-K110 PolarHBondContact O-N 3.13Å; K110-L114 WeakPolarHBondContact O-CB 3.35Å; K110-L114 PolarHBondContact O-N 3.39Å; K110-L114 VanDerWaalsContact O-N 3.09Å |
| 111 | I | 62.7 | Low | 69.8 | Low | 42 Ų | 42 | 106.2 Ų | 106.2 | 22% | 0.215 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -72.3 | -39.4 | 175.5 | -63.9 | 174.7 | 0 | 0 | 0 | 110.3 | L103 L108 E109 L114 M115 | L103-I111 HydrophobicContact CD2-CD1 3.41Å; L103-I111 VanDerWaalsContact CD2-CD1 3.41Å; L103-I111 HydrophobicContact CD2-CG1 3.93Å; L108-I111 HydrophobicContact CD2-CD1 4.38Å; L108-I111 WeakPolarHBondContact O-CB 3.36Å; L108-I111 PolarHBondContact O-N 3.04Å; L108-I111 VanDerWaalsContact O-N 3.16Å; E109-I111 VanDerWaalsContact C-N 3.3Å; I111-L114 PolarHBondContact O-N 3.46Å; I111-M115 HydrophobicContact CG2-CG 4.45Å; I111-M115 WeakPolarHBondContact O-CG 3.25Å; I111-M115 PolarHBondContact O-N 3.44Å |
| 112 | S | 65.4 | Low | 69.3 | Low | 75 Ų | 75 | 108.6 Ų | 108.6 | 52% | 0.524 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58 | -50 | 173.4 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | L108 L114 M115 D116 | L108-S112 PolarHBondContact O-N 3.17Å; S112-L114 VanDerWaalsContact C-N 3.27Å; S112-L114 PolarHBondContact O-N 3.16Å; S112-M115 PolarHBondContact O-N 2.89Å; S112-D116 PolarHBondContact O-N 3.31Å; S112-D116 VanDerWaalsContact O-N 3.15Å |
| 113 | G | 74.1 | Confident | 69.5 | Low | 40 Ų | 40 | 111.3 Ų | 111.3 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.7 | -20.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K117 | G113-K117 PolarHBondContact O-N 2.87Å |
| 114 | L | 69.4 | Low | 70 | Confident | 95 Ų | 95 | 111.2 Ų | 111.2 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -82.4 | -33.9 | 174.1 | -170.1 | 67.9 | 0 | 0 | 0 | 111.8 | K110 I111 S112 K117 F118 | K110-L114 WeakPolarHBondContact O-CB 3.35Å; K110-L114 PolarHBondContact O-N 3.39Å; K110-L114 VanDerWaalsContact O-N 3.09Å; I111-L114 PolarHBondContact O-N 3.46Å; S112-L114 VanDerWaalsContact C-N 3.27Å; S112-L114 PolarHBondContact O-N 3.16Å; L114-K117 PolarHBondContact O-N 2.85Å; L114-F118 WeakPolarHBondContact O-CB 3.29Å; L114-F118 PolarHBondContact O-N 3.45Å |
| 115 | M | 70.1 | Confident | 70.2 | Confident | 116 Ų | 116 | 107.9 Ų | 107.9 | 57% | 0.571 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.9 | -42.6 | 173.9 | -78 | -65.2 | 159.3 | 0 | 0 | 111.5 | I111 S112 K117 F118 E119 | I111-M115 HydrophobicContact CG2-CG 4.45Å; I111-M115 WeakPolarHBondContact O-CG 3.25Å; I111-M115 PolarHBondContact O-N 3.44Å; S112-M115 PolarHBondContact O-N 2.89Å; M115-K117 VanDerWaalsContact C-N 3.28Å; M115-K117 PolarHBondContact O-N 3.41Å; M115-F118 PolarHBondContact O-N 2.87Å; M115-F118 VanDerWaalsContact O-N 3.11Å; M115-E119 PolarHBondContact O-N 3.36Å |
| 116 | D | 76.6 | Confident | 70.5 | Confident | 101 Ų | 101 | 108 Ų | 108 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 172.7 | -69.6 | -8.5 | 0 | 0 | 0 | 111.5 | S112 H120 | S112-D116 PolarHBondContact O-N 3.31Å; S112-D116 VanDerWaalsContact O-N 3.15Å; D116-H120 WeakPolarHBondContact O-CB 3.35Å; D116-H120 PolarHBondContact O-N 3.03Å; D116-H120 VanDerWaalsContact O-N 3.1Å |
| 117 | K | 75.3 | Confident | 71.8 | Confident | 139 Ų | 139 | 109.2 Ų | 109.2 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.8 | -33.7 | 175.3 | -107 | 176.6 | 179 | 173.6 | 0 | 113.2 | G113 L114 M115 Q121 | G113-K117 PolarHBondContact O-N 2.87Å; L114-K117 PolarHBondContact O-N 2.85Å; M115-K117 VanDerWaalsContact C-N 3.28Å; M115-K117 PolarHBondContact O-N 3.41Å; K117-Q121 WeakPolarHBondContact O-CB 3.48Å; K117-Q121 VanDerWaalsContact O-CG 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.39Å; K117-Q121 PolarHBondContact O-N 2.98Å |
| 118 | F | 73.9 | Confident | 72.4 | Confident | 114 Ų | 114 | 109.3 Ų | 109.3 | 50% | 0.5 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.1 | -45.7 | 177.5 | -178.1 | -92.6 | 0 | 0 | 0 | 110.3 | L114 M115 H120 Q121 F122 | L114-F118 WeakPolarHBondContact O-CB 3.29Å; L114-F118 PolarHBondContact O-N 3.45Å; M115-F118 PolarHBondContact O-N 2.87Å; M115-F118 VanDerWaalsContact O-N 3.11Å; F118-H120 VanDerWaalsContact C-N 3.33Å; F118-H120 PolarHBondContact O-N 3.36Å; F118-Q121 PolarHBondContact O-N 3.28Å; F118-F122 AromaticContact CE1-CD2 3.82Å; F118-F122 HydrophobicContact CE1-CD2 3.82Å; F118-F122 HydrophobicContact CE1-CE2 4.38Å; F118-F122 HydrophobicContact CE1-CG 4.42Å; F118-F122 HydrophobicContact CE2-CD2 4.23Å; F118-F122 AromaticContact CZ-CD2 3.58Å; F118-F122 HydrophobicContact CZ-CD2 3.58Å; F118-F122 AromaticContact CZ-CE2 3.88Å; F118-F122 HydrophobicContact CZ-CE2 3.88Å; F118-F122 WeakPolarHBondContact O-CB 3.47Å; F118-F122 PolarHBondContact O-N 3.26Å |
| 119 | E | 77.6 | Confident | 73 | Confident | 141 Ų | 141 | 105.6 Ų | 105.6 | 66% | 0.659 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.7 | -48.2 | 174 | -120 | 175.7 | -177 | 0 | 0 | 110.9 | M115 Q121 F122 E123 | M115-E119 PolarHBondContact O-N 3.36Å; E119-Q121 PolarHBondContact O-N 2.9Å; E119-F122 PolarHBondContact O-N 3.27Å; E119-E123 WeakPolarHBondContact O-CB 3.28Å; E119-E123 PolarHBondContact O-N 2.58Å |
| 120 | H | 80.6 | Confident | 73.6 | Confident | 123 Ų | 123 | 100.2 Ų | 100.2 | 57% | 0.569 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -36.6 | 180 | -161.7 | 47.2 | 0 | 0 | 0 | 113.1 | D116 F118 T124 | D116-H120 WeakPolarHBondContact O-CB 3.35Å; D116-H120 PolarHBondContact O-N 3.03Å; D116-H120 VanDerWaalsContact O-N 3.1Å; F118-H120 VanDerWaalsContact C-N 3.33Å; F118-H120 PolarHBondContact O-N 3.36Å; H120-T124 WeakPolarHBondContact O-CB 3.43Å; H120-T124 PolarHBondContact O-N 3.28Å; H120-T124 PolarHBondContact O-OG1 3.01Å |
| 121 | Q | 67.9 | Low | 74.3 | Confident | 133 Ų | 133 | 99.6 Ų | 99.6 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.7 | -36.9 | 174.4 | -78.7 | 179.8 | 0.7 | 0 | 0 | 112.3 | K117 F118 E119 T124 L125 | K117-Q121 WeakPolarHBondContact O-CB 3.48Å; K117-Q121 VanDerWaalsContact O-CG 3.3Å; K117-Q121 WeakPolarHBondContact O-CG 3.39Å; K117-Q121 PolarHBondContact O-N 2.98Å; F118-Q121 PolarHBondContact O-N 3.28Å; E119-Q121 PolarHBondContact O-N 2.9Å; Q121-T124 PolarHBondContact O-N 3.03Å; Q121-L125 WeakPolarHBondContact O-CB 3.46Å; Q121-L125 PolarHBondContact O-N 3.48Å |
| 122 | F | 71.7 | Confident | 74.9 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.6 | -41.7 | 179 | -141 | -88.6 | 0 | 0 | 0 | 111.3 | F118 E119 T124 L125 D126 | F118-F122 AromaticContact CE1-CD2 3.82Å; F118-F122 HydrophobicContact CE1-CD2 3.82Å; F118-F122 HydrophobicContact CE1-CE2 4.38Å; F118-F122 HydrophobicContact CE1-CG 4.42Å; F118-F122 HydrophobicContact CE2-CD2 4.23Å; F118-F122 AromaticContact CZ-CD2 3.58Å; F118-F122 HydrophobicContact CZ-CD2 3.58Å; F118-F122 AromaticContact CZ-CE2 3.88Å; F118-F122 HydrophobicContact CZ-CE2 3.88Å; F118-F122 WeakPolarHBondContact O-CB 3.47Å; F118-F122 PolarHBondContact O-N 3.26Å; E119-F122 PolarHBondContact O-N 3.27Å; F122-T124 VanDerWaalsContact C-N 3.32Å; F122-T124 PolarHBondContact O-N 3.41Å; F122-L125 PolarHBondContact O-N 3.11Å; F122-L125 VanDerWaalsContact O-N 3.13Å; F122-D126 PolarHBondContact O-N 3.24Å |
| 123 | E | 79.6 | Confident | 75.4 | Confident | 128 Ų | 128 | 105.7 Ų | 105.7 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 173 | -168.5 | 177.4 | -150.9 | 0 | 0 | 111.1 | E119 L125 D126 V127 | E119-E123 WeakPolarHBondContact O-CB 3.28Å; E119-E123 PolarHBondContact O-N 2.58Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 2.92Å; E123-D126 PolarHBondContact O-N 3.37Å; E123-V127 VanDerWaalsContact O-CG2 3.26Å; E123-V127 WeakPolarHBondContact O-CG2 3.37Å; E123-V127 PolarHBondContact O-N 2.9Å |
| 124 | T | 78.9 | Confident | 75.6 | Confident | 73 Ų | 73 | 109.1 Ų | 109.1 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 173.6 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | H120 Q121 F122 Q128 | H120-T124 WeakPolarHBondContact O-CB 3.43Å; H120-T124 PolarHBondContact O-N 3.28Å; H120-T124 PolarHBondContact O-OG1 3.01Å; Q121-T124 PolarHBondContact O-N 3.03Å; F122-T124 VanDerWaalsContact C-N 3.32Å; F122-T124 PolarHBondContact O-N 3.41Å; T124-Q128 WeakPolarHBondContact O-CB 3.35Å; T124-Q128 PolarHBondContact O-N 3.43Å |
| 125 | L | 78.1 | Confident | 75.7 | Confident | 96 Ų | 96 | 108.3 Ų | 108.3 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.3 | -38.6 | -179.6 | -148.4 | 159.1 | 0 | 0 | 0 | 111.2 | Q121 F122 E123 Q128 T129 | Q121-L125 WeakPolarHBondContact O-CB 3.46Å; Q121-L125 PolarHBondContact O-N 3.48Å; F122-L125 PolarHBondContact O-N 3.11Å; F122-L125 VanDerWaalsContact O-N 3.13Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 2.92Å; L125-Q128 PolarHBondContact O-N 3.45Å; L125-T129 VanDerWaalsContact O-CB 3.26Å; L125-T129 WeakPolarHBondContact O-CB 3.5Å; L125-T129 PolarHBondContact O-N 3.45Å; L125-T129 PolarHBondContact O-OG1 3.12Å |
| 126 | D | 75.1 | Confident | 75.7 | Confident | 102 Ų | 102 | 108 Ų | 108 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 172.7 | -96.3 | -8.3 | 0 | 0 | 0 | 111.3 | F122 E123 Q128 T129 A130 | F122-D126 PolarHBondContact O-N 3.24Å; E123-D126 PolarHBondContact O-N 3.37Å; D126-Q128 PolarHBondContact O-N 2.9Å; D126-T129 PolarHBondContact O-N 2.61Å; D126-A130 VanDerWaalsContact O-CB 3.3Å; D126-A130 WeakPolarHBondContact O-CB 3.09Å; D126-A130 PolarHBondContact O-N 3.42Å |
| 127 | V | 83.4 | Confident | 75.3 | Confident | 87 Ų | 87 | 106.1 Ų | 106.1 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 111 | E123 A130 Q131 | E123-V127 VanDerWaalsContact O-CG2 3.26Å; E123-V127 WeakPolarHBondContact O-CG2 3.37Å; E123-V127 PolarHBondContact O-N 2.9Å; V127-A130 PolarHBondContact O-N 3.28Å; V127-Q131 VanDerWaalsContact O-CB 3.27Å; V127-Q131 WeakPolarHBondContact O-CB 3.39Å; V127-Q131 PolarHBondContact O-N 2.89Å |
| 128 | Q | 72.6 | Confident | 75 | Confident | 129 Ų | 129 | 103.5 Ų | 103.5 | 60% | 0.603 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.7 | -36.7 | 178.4 | -170.9 | 175.6 | 10 | 0 | 0 | 112 | T124 L125 D126 M132 | T124-Q128 WeakPolarHBondContact O-CB 3.35Å; T124-Q128 PolarHBondContact O-N 3.43Å; L125-Q128 PolarHBondContact O-N 3.45Å; D126-Q128 PolarHBondContact O-N 2.9Å; Q128-M132 WeakPolarHBondContact O-CB 3.47Å; Q128-M132 PolarHBondContact O-N 3.24Å |
| 129 | T | 74.1 | Confident | 74.4 | Confident | 64 Ų | 64 | 102.9 Ų | 102.9 | 39% | 0.393 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.3 | -44.3 | 176.6 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | L125 D126 Q131 M132 E133 | L125-T129 VanDerWaalsContact O-CB 3.26Å; L125-T129 WeakPolarHBondContact O-CB 3.5Å; L125-T129 PolarHBondContact O-N 3.45Å; L125-T129 PolarHBondContact O-OG1 3.12Å; D126-T129 PolarHBondContact O-N 2.61Å; T129-Q131 VanDerWaalsContact C-N 3.32Å; T129-Q131 PolarHBondContact O-N 2.95Å; T129-M132 PolarHBondContact O-N 2.97Å; T129-E133 VanDerWaalsContact O-CB 3.29Å; T129-E133 WeakPolarHBondContact O-CB 3.4Å; T129-E133 PolarHBondContact O-N 3.12Å |
| 130 | A | 74.9 | Confident | 73.5 | Confident | 55 Ų | 55 | 99.5 Ų | 99.5 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D126 V127 E133 D134 | D126-A130 VanDerWaalsContact O-CB 3.3Å; D126-A130 WeakPolarHBondContact O-CB 3.09Å; D126-A130 PolarHBondContact O-N 3.42Å; V127-A130 PolarHBondContact O-N 3.28Å; A130-E133 PolarHBondContact O-N 2.85Å; A130-D134 WeakPolarHBondContact O-CB 3.45Å; A130-D134 PolarHBondContact O-N 3.12Å |
| 131 | Q | 77.4 | Confident | 72.5 | Confident | 128 Ų | 128 | 97.3 Ų | 97.3 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -72.3 | -31.6 | 179 | -166.2 | 157.2 | -0.2 | 0 | 0 | 112.9 | V127 T129 T135 | V127-Q131 VanDerWaalsContact O-CB 3.27Å; V127-Q131 WeakPolarHBondContact O-CB 3.39Å; V127-Q131 PolarHBondContact O-N 2.89Å; T129-Q131 VanDerWaalsContact C-N 3.32Å; T129-Q131 PolarHBondContact O-N 2.95Å; Q131-T135 WeakPolarHBondContact O-CB 3.43Å; Q131-T135 WeakPolarHBondContact O-CG2 3.47Å; Q131-T135 PolarHBondContact O-N 3.14Å; Q131-T135 PolarHBondContact O-OG1 2.93Å |
| 132 | M | 75.2 | Confident | 72.1 | Confident | 110 Ų | 110 | 98.3 Ų | 98.3 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.6 | -40.9 | 171.5 | -174.2 | 171.6 | 154.4 | 0 | 0 | 111.3 | Q128 T129 T135 M136 | Q128-M132 WeakPolarHBondContact O-CB 3.47Å; Q128-M132 PolarHBondContact O-N 3.24Å; T129-M132 PolarHBondContact O-N 2.97Å; M132-T135 WeakPolarHBondContact CA-OG1 3.11Å; M132-T135 PolarHBondContact O-N 3.21Å; M132-T135 PolarHBondContact O-OG1 3.32Å; M132-T135 VanDerWaalsContact O-OG1 3.08Å; M132-M136 HydrophobicContact CE-SD 3.45Å; M132-M136 WeakPolarHBondContact CE-SD 3.37Å; M132-M136 HydrophobicContact CG-CG 4.28Å; M132-M136 HydrophobicContact CG-SD 3.87Å; M132-M136 WeakPolarHBondContact O-CB 3.46Å; M132-M136 WeakPolarHBondContact O-CG 3.33Å; M132-M136 PolarHBondContact O-N 2.93Å |
| 133 | E | 76.6 | Confident | 71.6 | Confident | 135 Ų | 135 | 97.9 Ų | 97.9 | 63% | 0.631 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 174.2 | -170.8 | 115.7 | -157.5 | 0 | 0 | 110.6 | T129 A130 M136 S137 | T129-E133 VanDerWaalsContact O-CB 3.29Å; T129-E133 WeakPolarHBondContact O-CB 3.4Å; T129-E133 PolarHBondContact O-N 3.12Å; A130-E133 PolarHBondContact O-N 2.85Å; E133-M136 PolarHBondContact O-N 3.44Å; E133-S137 WeakPolarHBondContact O-CA 3.47Å; E133-S137 WeakPolarHBondContact O-CB 3.5Å; E133-S137 PolarHBondContact O-N 3.23Å |
| 134 | D | 78.1 | Confident | 70.7 | Confident | 111 Ų | 111 | 95.2 Ų | 95.2 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.8 | -41.4 | 176 | -83.9 | -14.3 | 0 | 0 | 0 | 112.8 | A130 S138 | A130-D134 WeakPolarHBondContact O-CB 3.45Å; A130-D134 PolarHBondContact O-N 3.12Å; D134-S138 VanDerWaalsContact O-CB 3.31Å; D134-S138 WeakPolarHBondContact O-CB 3.5Å; D134-S138 PolarHBondContact O-N 3.41Å; D134-S138 PolarHBondContact O-OG 3.24Å |
| 135 | T | 71.7 | Confident | 70.4 | Confident | 79 Ų | 79 | 93.9 Ų | 93.9 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.2 | -37.6 | 177.9 | 46 | 0 | 0 | 0 | 0 | 112.6 | Q131 M132 T139 | Q131-T135 WeakPolarHBondContact O-CB 3.43Å; Q131-T135 WeakPolarHBondContact O-CG2 3.47Å; Q131-T135 PolarHBondContact O-N 3.14Å; Q131-T135 PolarHBondContact O-OG1 2.93Å; M132-T135 WeakPolarHBondContact CA-OG1 3.11Å; M132-T135 PolarHBondContact O-N 3.21Å; M132-T135 PolarHBondContact O-OG1 3.32Å; M132-T135 VanDerWaalsContact O-OG1 3.08Å; T135-T139 PolarHBondContact O-N 3.28Å; T135-T139 VanDerWaalsContact O-N 3.11Å; T135-T139 PolarHBondContact O-OG1 2.96Å |
| 136 | M | 69.5 | Low | 69.7 | Low | 108 Ų | 108 | 95.8 Ų | 95.8 | 53% | 0.532 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -48.9 | 172.4 | -72.2 | -178.4 | 82.8 | 0 | 0 | 110.2 | M132 E133 S138 T139 T140 | M132-M136 HydrophobicContact CE-SD 3.45Å; M132-M136 WeakPolarHBondContact CE-SD 3.37Å; M132-M136 HydrophobicContact CG-CG 4.28Å; M132-M136 HydrophobicContact CG-SD 3.87Å; M132-M136 WeakPolarHBondContact O-CB 3.46Å; M132-M136 WeakPolarHBondContact O-CG 3.33Å; M132-M136 PolarHBondContact O-N 2.93Å; E133-M136 PolarHBondContact O-N 3.44Å; M136-S138 VanDerWaalsContact C-N 3.32Å; M136-S138 PolarHBondContact O-N 2.93Å; M136-T139 CarbonylContact O-C 3.58Å; M136-T139 WeakPolarHBondContact O-CA 3.41Å; M136-T139 WeakPolarHBondContact O-CB 3.5Å; M136-T139 PolarHBondContact O-N 3.34Å; M136-T140 PolarHBondContact O-N 3.34Å; M136-T140 PolarHBondContact O-OG1 3.28Å |
| 137 | S | 68.5 | Low | 69.6 | Low | 63 Ų | 63 | 94.8 Ų | 94.8 | 44% | 0.441 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -52.5 | -48.8 | 175.1 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | E133 T139 T140 T141 | E133-S137 WeakPolarHBondContact O-CA 3.47Å; E133-S137 WeakPolarHBondContact O-CB 3.5Å; E133-S137 PolarHBondContact O-N 3.23Å; S137-T139 VanDerWaalsContact C-N 3.28Å; S137-T139 PolarHBondContact O-N 2.89Å; S137-T140 WeakPolarHBondContact CA-OG1 3.45Å; S137-T140 PolarHBondContact O-N 3.14Å; S137-T140 PolarHBondContact O-OG1 2.92Å; S137-T141 PolarHBondContact O-N 3.41Å; S137-T141 PolarHBondContact O-OG1 2.88Å |
| 138 | S | 69.1 | Low | 68.8 | Low | 84 Ų | 84 | 96.9 Ų | 96.9 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.1 | -35.5 | 175 | -61.3 | 0 | 0 | 0 | 0 | 113.3 | D134 M136 | D134-S138 VanDerWaalsContact O-CB 3.31Å; D134-S138 WeakPolarHBondContact O-CB 3.5Å; D134-S138 PolarHBondContact O-N 3.41Å; D134-S138 PolarHBondContact O-OG 3.24Å; M136-S138 VanDerWaalsContact C-N 3.32Å; M136-S138 PolarHBondContact O-N 2.93Å |
| 139 | T | 62.3 | Low | 68.8 | Low | 100 Ų | 100 | 93.8 Ų | 93.8 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.1 | -40.9 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | T135 M136 S137 T141 L142 | T135-T139 PolarHBondContact O-N 3.28Å; T135-T139 VanDerWaalsContact O-N 3.11Å; T135-T139 PolarHBondContact O-OG1 2.96Å; M136-T139 CarbonylContact O-C 3.58Å; M136-T139 WeakPolarHBondContact O-CA 3.41Å; M136-T139 WeakPolarHBondContact O-CB 3.5Å; M136-T139 PolarHBondContact O-N 3.34Å; S137-T139 VanDerWaalsContact C-N 3.28Å; S137-T139 PolarHBondContact O-N 2.89Å; T139-T141 VanDerWaalsContact C-N 3.34Å; T139-L142 PolarHBondContact O-N 3.36Å |
| 140 | T | 59.1 | Low | 68.7 | Low | 71 Ų | 71 | 94.7 Ų | 94.7 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.6 | -25.7 | 175.3 | 17.6 | 0 | 0 | 0 | 0 | 113.4 | M136 S137 L142 T143 T144 | M136-T140 PolarHBondContact O-N 3.34Å; M136-T140 PolarHBondContact O-OG1 3.28Å; S137-T140 WeakPolarHBondContact CA-OG1 3.45Å; S137-T140 PolarHBondContact O-N 3.14Å; S137-T140 PolarHBondContact O-OG1 2.92Å; T140-L142 PolarHBondContact O-N 2.98Å; T140-T143 PolarHBondContact O-N 3.49Å; T140-T143 VanDerWaalsContact O-N 3.14Å; T140-T143 PolarHBondContact O-OG1 3.29Å; T140-T144 WeakPolarHBondContact O-CA 3.25Å; T140-T144 PolarHBondContact O-N 3.5Å |
| 141 | T | 58.3 | Low | 68.7 | Low | 77 Ų | 77 | 95.8 Ų | 95.8 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.9 | -29.1 | 176.2 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | S137 T139 | S137-T141 PolarHBondContact O-N 3.41Å; S137-T141 PolarHBondContact O-OG1 2.88Å; T139-T141 VanDerWaalsContact C-N 3.34Å |
| 142 | L | 60.7 | Low | 68.5 | Low | 154 Ų | 154 | 94.3 Ų | 94.3 | 81% | 0.806 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -80.4 | -30 | 178.2 | -164.2 | 69.9 | 0 | 0 | 0 | 113.3 | T139 T140 | T139-L142 PolarHBondContact O-N 3.36Å; T140-L142 PolarHBondContact O-N 2.98Å |
| 143 | T | 61.1 | Low | 68.3 | Low | 102 Ų | 102 | 95.3 Ų | 95.3 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -100.7 | -16.1 | -177.3 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | T140 | T140-T143 PolarHBondContact O-N 3.49Å; T140-T143 VanDerWaalsContact O-N 3.14Å; T140-T143 PolarHBondContact O-OG1 3.29Å |
| 144 | T | 60.6 | Low | 68.2 | Low | 71 Ų | 71 | 94.6 Ų | 94.6 | 44% | 0.436 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -139.6 | 80 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 108.6 | T140 Q146 V149 | T140-T144 WeakPolarHBondContact O-CA 3.25Å; T140-T144 PolarHBondContact O-N 3.5Å; T144-Q146 PolarHBondContact O-N 3.39Å; T144-V149 HydrophobicContact CG2-CG2 3.49Å; T144-V149 VanDerWaalsContact CG2-CG2 3.49Å |
| 145 | P | 71.3 | Confident | 68 | Low | 46 Ų | 46 | 95.4 Ų | 95.4 | 30% | 0.299 | 53% | 0.528 | S | S | . | . | trans | -61.8 | 134.2 | -179.8 | -20.4 | 32 | 0 | 0 | 0 | 111.2 | N147 Q148 V149 | P145-N147 PolarHBondContact O-N 3.12Å; P145-N147 VanDerWaalsContact O-N 3.13Å; P145-Q148 HydrophobicContact CB-CG 4.31Å; P145-Q148 HydrophobicContact CG-CG 4.35Å; P145-Q148 WeakPolarHBondContact O-CB 3.45Å; P145-Q148 PolarHBondContact O-N 2.93Å; P145-V149 PolarHBondContact O-N 3.44Å | ||
| 146 | Q | 63.6 | Low | 68.2 | Low | 136 Ų | 136 | 96 Ų | 96 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -49.6 | -42.8 | -179.5 | -153.7 | 96.1 | -3.6 | 0 | 0 | 112.2 | T144 Q148 V149 D150 | T144-Q146 PolarHBondContact O-N 3.39Å; Q146-Q148 VanDerWaalsContact C-N 3.28Å; Q146-Q148 PolarHBondContact O-N 3.44Å; Q146-V149 PolarHBondContact O-N 3.14Å; Q146-V149 VanDerWaalsContact O-N 3.08Å; Q146-D150 PolarHBondContact O-N 3.34Å |
| 147 | N | 72.8 | Confident | 68 | Low | 81 Ų | 81 | 93.7 Ų | 93.7 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -31.1 | 178.7 | -78.2 | -17 | 0 | 0 | 0 | 114.1 | P145 S151 Q185 | P145-N147 PolarHBondContact O-N 3.12Å; P145-N147 VanDerWaalsContact O-N 3.13Å; N147-S151 VanDerWaalsContact O-CB 3.27Å; N147-S151 WeakPolarHBondContact O-CB 3.5Å; N147-S151 PolarHBondContact O-N 3.48Å; N147-S151 PolarHBondContact O-OG 2.8Å; N147-Q185 PolarHBondContact ND2-OE1 2.67Å; N147-Q185 PolarHBondContact OD1-NE2 2.68Å; N147-Q185 PolarHBondContact OD1-OE1 3.22Å |
| 148 | Q | 67.9 | Low | 68.3 | Low | 131 Ų | 131 | 94.4 Ų | 94.4 | 61% | 0.612 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -75.3 | -35 | 176.7 | -68.4 | -176.6 | -3.4 | 0 | 0 | 111.4 | P145 Q146 L152 | P145-Q148 HydrophobicContact CB-CG 4.31Å; P145-Q148 HydrophobicContact CG-CG 4.35Å; P145-Q148 WeakPolarHBondContact O-CB 3.45Å; P145-Q148 PolarHBondContact O-N 2.93Å; Q146-Q148 VanDerWaalsContact C-N 3.28Å; Q146-Q148 PolarHBondContact O-N 3.44Å; Q148-L152 WeakPolarHBondContact O-CB 3.39Å; Q148-L152 PolarHBondContact O-N 3.3Å; Q148-L152 VanDerWaalsContact O-N 3.09Å |
| 149 | V | 71.3 | Confident | 68.2 | Low | 64 Ų | 64 | 96.5 Ų | 96.5 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.3 | -44.1 | 175.3 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | T144 P145 Q146 L152 M153 | T144-V149 HydrophobicContact CG2-CG2 3.49Å; T144-V149 VanDerWaalsContact CG2-CG2 3.49Å; P145-V149 PolarHBondContact O-N 3.44Å; Q146-V149 PolarHBondContact O-N 3.14Å; Q146-V149 VanDerWaalsContact O-N 3.08Å; V149-L152 PolarHBondContact O-N 3.25Å; V149-M153 WeakPolarHBondContact O-CB 3.46Å; V149-M153 PolarHBondContact O-N 3.45Å |
| 150 | D | 71.8 | Confident | 68.3 | Low | 83 Ų | 83 | 94.9 Ų | 94.9 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 178.6 | -68.5 | -22.7 | 0 | 0 | 0 | 111.5 | Q146 M153 H154 | Q146-D150 PolarHBondContact O-N 3.34Å; D150-M153 PolarHBondContact O-N 3.44Å; D150-H154 WeakPolarHBondContact O-CB 3.47Å; D150-H154 PolarHBondContact O-N 3.24Å |
| 151 | S | 76.4 | Confident | 68.1 | Low | 78 Ų | 78 | 93.4 Ų | 93.4 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 174.2 | -63.5 | 0 | 0 | 0 | 0 | 112 | N147 H154 E155 | N147-S151 VanDerWaalsContact O-CB 3.27Å; N147-S151 WeakPolarHBondContact O-CB 3.5Å; N147-S151 PolarHBondContact O-N 3.48Å; N147-S151 PolarHBondContact O-OG 2.8Å; S151-H154 PolarHBondContact O-N 3.14Å; S151-E155 WeakPolarHBondContact O-CB 3.44Å; S151-E155 PolarHBondContact O-N 3.23Å |
| 152 | L | 73 | Confident | 67.8 | Low | 96 Ų | 96 | 95.1 Ų | 95.1 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 176.4 | -176.6 | 68.8 | 0 | 0 | 0 | 111.7 | Q148 V149 H154 E155 L156 | Q148-L152 WeakPolarHBondContact O-CB 3.39Å; Q148-L152 PolarHBondContact O-N 3.3Å; Q148-L152 VanDerWaalsContact O-N 3.09Å; V149-L152 PolarHBondContact O-N 3.25Å; L152-H154 VanDerWaalsContact C-N 3.35Å; L152-E155 PolarHBondContact O-N 2.94Å; L152-L156 HydrophobicContact CD1-CD1 4.4Å; L152-L156 HydrophobicContact CG-CD1 4.11Å; L152-L156 WeakPolarHBondContact O-CB 3.48Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.42Å |
| 153 | M | 70.9 | Confident | 67.2 | Low | 132 Ų | 132 | 93.8 Ų | 93.8 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 173.9 | -93.3 | -93.8 | -89 | 0 | 0 | 111.6 | V149 D150 A157 | V149-M153 WeakPolarHBondContact O-CB 3.46Å; V149-M153 PolarHBondContact O-N 3.45Å; D150-M153 PolarHBondContact O-N 3.44Å; M153-A157 WeakPolarHBondContact O-CB 3.12Å; M153-A157 PolarHBondContact O-N 3.1Å |
| 154 | H | 73.8 | Confident | 66.4 | Low | 119 Ų | 119 | 96 Ų | 96 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.3 | -42.7 | 176 | -158.2 | -53.1 | 0 | 0 | 0 | 111.7 | D150 S151 L152 L156 A157 D158 | D150-H154 WeakPolarHBondContact O-CB 3.47Å; D150-H154 PolarHBondContact O-N 3.24Å; S151-H154 PolarHBondContact O-N 3.14Å; L152-H154 VanDerWaalsContact C-N 3.35Å; H154-L156 PolarHBondContact O-N 3.1Å; H154-A157 PolarHBondContact O-N 2.86Å; H154-D158 IonicContact CE1-OD1 2.58Å; H154-D158 PolarHBondContact CE1-OD1 3.4Å; H154-D158 IonicContact CE1-OD2 2.92Å; H154-D158 PolarHBondContact CE1-OD2 3.43Å; H154-D158 VanDerWaalsContact ND1-CG 3.33Å; H154-D158 IonicContact ND1-OD1 2.7Å; H154-D158 PolarHBondContact ND1-OD1 3.5Å; H154-D158 IonicContact ND1-OD2 2.68Å; H154-D158 PolarHBondContact ND1-OD2 2.9Å; H154-D158 WeakPolarHBondContact O-CB 3.34Å; H154-D158 PolarHBondContact O-N 2.95Å |
| 155 | E | 74.8 | Confident | 65.7 | Low | 128 Ų | 128 | 98 Ų | 98 | 60% | 0.598 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 176 | -173.2 | 177.2 | -174.3 | 0 | 0 | 111.5 | S151 L152 D158 E159 | S151-E155 WeakPolarHBondContact O-CB 3.44Å; S151-E155 PolarHBondContact O-N 3.23Å; L152-E155 PolarHBondContact O-N 2.94Å; E155-D158 PolarHBondContact O-N 3.01Å; E155-E159 WeakPolarHBondContact O-CB 3.3Å; E155-E159 PolarHBondContact O-N 2.95Å |
| 156 | L | 74.8 | Confident | 64.6 | Low | 92 Ų | 92 | 103.8 Ų | 103.8 | 48% | 0.482 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.1 | -33 | 176.9 | -69.7 | 173.3 | 0 | 0 | 0 | 112.9 | L152 H154 A160 | L152-L156 HydrophobicContact CD1-CD1 4.4Å; L152-L156 HydrophobicContact CG-CD1 4.11Å; L152-L156 WeakPolarHBondContact O-CB 3.48Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.42Å; H154-L156 PolarHBondContact O-N 3.1Å; L156-A160 VanDerWaalsContact O-CB 3.26Å; L156-A160 WeakPolarHBondContact O-CB 3.43Å; L156-A160 PolarHBondContact O-N 3.46Å |
| 157 | A | 66.9 | Low | 63.9 | Low | 60 Ų | 60 | 106.2 Ų | 106.2 | 50% | 0.496 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.5 | -38.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M153 H154 A160 G161 | M153-A157 WeakPolarHBondContact O-CB 3.12Å; M153-A157 PolarHBondContact O-N 3.1Å; H154-A157 PolarHBondContact O-N 2.86Å; A157-A160 PolarHBondContact O-N 3.24Å; A157-G161 WeakPolarHBondContact O-CA 3.41Å; A157-G161 PolarHBondContact O-N 3.21Å |
| 158 | D | 74.1 | Confident | 62.6 | Low | 77 Ų | 77 | 108.4 Ų | 108.4 | 41% | 0.412 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.1 | -42.7 | 171.8 | -71.6 | -25.3 | 0 | 0 | 0 | 110.4 | H154 E155 A160 G161 L162 | H154-D158 IonicContact CE1-OD1 2.58Å; H154-D158 PolarHBondContact CE1-OD1 3.4Å; H154-D158 IonicContact CE1-OD2 2.92Å; H154-D158 PolarHBondContact CE1-OD2 3.43Å; H154-D158 VanDerWaalsContact ND1-CG 3.33Å; H154-D158 IonicContact ND1-OD1 2.7Å; H154-D158 PolarHBondContact ND1-OD1 3.5Å; H154-D158 IonicContact ND1-OD2 2.68Å; H154-D158 PolarHBondContact ND1-OD2 2.9Å; H154-D158 WeakPolarHBondContact O-CB 3.34Å; H154-D158 PolarHBondContact O-N 2.95Å; E155-D158 PolarHBondContact O-N 3.01Å; D158-A160 VanDerWaalsContact C-N 3.33Å; D158-A160 PolarHBondContact O-N 3.48Å; D158-G161 CarbonylContact O-C 3.43Å; D158-G161 PolarHBondContact O-N 2.97Å; D158-L162 HydrophobicContact CB-CD1 4.32Å; D158-L162 WeakPolarHBondContact O-CA 3.44Å; D158-L162 WeakPolarHBondContact O-CB 3.48Å; D158-L162 WeakPolarHBondContact O-CD1 3.45Å; D158-L162 WeakPolarHBondContact O-CG 3.34Å; D158-L162 PolarHBondContact O-N 3.04Å |
| 159 | E | 67.7 | Low | 61.5 | Low | 129 Ų | 129 | 108 Ų | 108 | 60% | 0.603 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.2 | -41.1 | 176 | -164.3 | 174 | -165 | 0 | 0 | 111.3 | E155 D163 | E155-E159 WeakPolarHBondContact O-CB 3.3Å; E155-E159 PolarHBondContact O-N 2.95Å; E159-D163 PolarHBondContact O-N 3.4Å |
| 160 | A | 63.9 | Low | 60.4 | Low | 65 Ų | 65 | 114.8 Ų | 114.8 | 54% | 0.537 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.2 | -30.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L156 A157 D158 | L156-A160 VanDerWaalsContact O-CB 3.26Å; L156-A160 WeakPolarHBondContact O-CB 3.43Å; L156-A160 PolarHBondContact O-N 3.46Å; A157-A160 PolarHBondContact O-N 3.24Å; D158-A160 VanDerWaalsContact C-N 3.33Å; D158-A160 PolarHBondContact O-N 3.48Å |
| 161 | G | 55.5 | Low | 58.8 | Low | 41 Ų | 41 | 114.1 Ų | 114.1 | 42% | 0.423 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -81.9 | -27 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A157 D158 | A157-G161 WeakPolarHBondContact O-CA 3.41Å; A157-G161 PolarHBondContact O-N 3.21Å; D158-G161 CarbonylContact O-C 3.43Å; D158-G161 PolarHBondContact O-N 2.97Å |
| 162 | L | 51.3 | Low | 57.4 | Low | 112 Ų | 112 | 119.6 Ų | 119.6 | 59% | 0.586 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.9 | -28.6 | 174.4 | -76.4 | 163.1 | 0 | 0 | 0 | 111.7 | D158 L164 N165 M166 | D158-L162 HydrophobicContact CB-CD1 4.32Å; D158-L162 WeakPolarHBondContact O-CA 3.44Å; D158-L162 WeakPolarHBondContact O-CB 3.48Å; D158-L162 WeakPolarHBondContact O-CD1 3.45Å; D158-L162 WeakPolarHBondContact O-CG 3.34Å; D158-L162 PolarHBondContact O-N 3.04Å; L162-L164 PolarHBondContact O-N 3.11Å; L162-N165 PolarHBondContact O-N 3.45Å; L162-N165 VanDerWaalsContact O-N 3.08Å; L162-M166 PolarHBondContact O-N 3.12Å; L162-M166 VanDerWaalsContact O-N 3.16Å |
| 163 | D | 48.7 | Very low | 55.8 | Low | 127 Ų | 127 | 121.8 Ų | 121.8 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -25.6 | 174.4 | -137.7 | 10.4 | 0 | 0 | 0 | 111.9 | E159 | E159-D163 PolarHBondContact O-N 3.4Š|
| 164 | L | 43.7 | Very low | 54.2 | Low | 147 Ų | 147 | 118.7 Ų | 118.7 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -20.1 | 171.4 | -88.3 | 148.7 | 0 | 0 | 0 | 113.7 | L162 | L162-L164 PolarHBondContact O-N 3.11Š|
| 165 | N | 46.3 | Very low | 53 | Low | 115 Ų | 115 | 119.2 Ų | 119.2 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -4.4 | -177.9 | -133.4 | 18.8 | 0 | 0 | 0 | 112.9 | L162 E167 | L162-N165 PolarHBondContact O-N 3.45Å; L162-N165 VanDerWaalsContact O-N 3.08Å; N165-E167 VanDerWaalsContact C-N 3.29Å; N165-E167 PolarHBondContact O-N 2.93Å |
| 166 | M | 48.5 | Very low | 51.7 | Low | 167 Ų | 167 | 119.9 Ų | 119.9 | 82% | 0.823 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 0.7 | -179.5 | -133.8 | -172.1 | 153 | 0 | 0 | 114.1 | L162 | L162-M166 PolarHBondContact O-N 3.12Å; L162-M166 VanDerWaalsContact O-N 3.16Å |
| 167 | E | 48.7 | Very low | 50.5 | Low | 186 Ų | 186 | 118.3 Ų | 118.3 | 87% | 0.869 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 7.3 | 179.8 | -124.5 | 174.4 | 145.3 | 0 | 0 | 114.7 | N165 | N165-E167 VanDerWaalsContact C-N 3.29Å; N165-E167 PolarHBondContact O-N 2.93Å |
| 168 | L | 45.3 | Very low | 49.3 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -119.5 | 135.8 | 176.3 | -82.1 | 153.1 | 0 | 0 | 0 | 111.6 | ||
| 169 | P | 45.4 | Very low | 48.3 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -68.8 | 138.2 | -171 | 28.2 | -32.9 | 0 | 0 | 0 | 111.7 | G171 | P169-G171 PolarHBondContact O-N 3.32Å; P169-G171 VanDerWaalsContact O-N 3.1Å | ||
| 170 | Q | 47.6 | Very low | 47.5 | Very low | 208 Ų | 208 | 121 Ų | 121 | 97% | 0.972 | 73% | 0.73 | S | S | * | * | trans | -46.1 | 110 | -177.3 | -80.8 | 179.9 | -19.8 | 0 | 0 | 113.5 | ||||
| 171 | G | 38 | Very low | 46.8 | Very low | 68 Ų | 68 | 121.2 Ų | 121.2 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | -115.8 | 129.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P169 T173 | P169-G171 PolarHBondContact O-N 3.32Å; P169-G171 VanDerWaalsContact O-N 3.1Å; G171-T173 PolarHBondContact O-N 2.86Å | ||
| 172 | Q | 47.6 | Very low | 46.8 | Very low | 194 Ų | 194 | 123 Ų | 123 | 91% | 0.907 | 74% | 0.737 | S | S | * | * | trans | -40.6 | 130 | 178.3 | -71.2 | 172.5 | -0.7 | 0 | 0 | 114.2 | ||||
| 173 | T | 38.1 | Very low | 47 | Very low | 142 Ų | 142 | 120.3 Ų | 120.3 | 87% | 0.871 | 73% | 0.731 | S | S | * | * | trans | -172 | 123 | 135 | 45.8 | 0 | 0 | 0 | 0 | 105.5 | G171 | G171-T173 PolarHBondContact O-N 2.86Š| ||
| 174 | G | 38.4 | Very low | 47.4 | Very low | 66 Ų | 66 | 120.5 Ų | 120.5 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | 102.7 | 90 | 68.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | V176 | G174-V176 PolarHBondContact O-N 3.21Š| |||
| 175 | S | 47.8 | Very low | 48 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 91% | 0.909 | 71% | 0.713 | S | S | * | * | trans | -56.2 | 101.3 | 174.2 | 138.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 176 | V | 48 | Very low | 49.1 | Very low | 143 Ų | 143 | 118.2 Ų | 118.2 | 87% | 0.867 | 71% | 0.714 | S | S | * | * | trans | -146.6 | 121.8 | 170.6 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | G174 | G174-V176 PolarHBondContact O-N 3.21Š| ||
| 177 | G | 49.1 | Very low | 50.5 | Low | 59 Ų | 59 | 115.1 Ų | 115.1 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | trans | 124.8 | 57 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 178 | T | 42.6 | Very low | 51.6 | Low | 133 Ų | 133 | 111.5 Ų | 111.5 | 82% | 0.816 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -127.9 | -3 | 162 | -47 | 0 | 0 | 0 | 0 | 112.8 | ||
| 179 | S | 51.3 | Low | 53.1 | Low | 98 Ų | 98 | 108.5 Ų | 108.5 | 69% | 0.685 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -94.6 | -6 | -173.4 | 54.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 180 | V | 51.9 | Low | 54.6 | Low | 91 Ų | 91 | 105.5 Ų | 105.5 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -91.1 | -41.3 | -170.4 | -160.8 | 0 | 0 | 0 | 0 | 112.4 | S182 A183 E184 | V180-S182 PolarHBondContact O-N 2.87Å; V180-A183 PolarHBondContact O-N 3.29Å; V180-E184 PolarHBondContact O-N 2.97Å |
| 181 | A | 50.1 | Low | 56 | Low | 70 Ų | 70 | 103.1 Ų | 103.1 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.9 | -36.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 182 | S | 54 | Low | 58 | Low | 77 Ų | 77 | 105.1 Ų | 105.1 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.7 | -32.3 | 177.4 | -52.4 | 0 | 0 | 0 | 0 | 112.5 | V180 D186 | V180-S182 PolarHBondContact O-N 2.87Å; S182-D186 PolarHBondContact O-N 3.01Å |
| 183 | A | 56.6 | Low | 59.6 | Low | 56 Ų | 56 | 98.9 Ų | 98.9 | 46% | 0.463 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.6 | -36.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V180 E187 | V180-A183 PolarHBondContact O-N 3.29Å; A183-E187 WeakPolarHBondContact O-CB 3.39Å; A183-E187 PolarHBondContact O-N 3.15Å |
| 184 | E | 56 | Low | 61.7 | Low | 131 Ų | 131 | 99 Ų | 99 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.4 | -35.6 | -179.9 | -69.1 | -176.9 | 146.5 | 0 | 0 | 112.7 | V180 L188 | V180-E184 PolarHBondContact O-N 2.97Å; E184-L188 WeakPolarHBondContact O-CB 3.45Å; E184-L188 PolarHBondContact O-N 2.99Å |
| 185 | Q | 56.5 | Low | 63.5 | Low | 98 Ų | 98 | 101.4 Ų | 101.4 | 46% | 0.458 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.7 | -40.8 | 176 | -74.8 | -169.6 | -16 | 0 | 0 | 112.5 | N147 S189 | N147-Q185 PolarHBondContact ND2-OE1 2.67Å; N147-Q185 PolarHBondContact OD1-NE2 2.68Å; N147-Q185 PolarHBondContact OD1-OE1 3.22Å; Q185-S189 PolarHBondContact O-N 3.49Å; Q185-S189 VanDerWaalsContact O-N 3.13Å; Q185-S189 PolarHBondContact O-OG 3.31Å |
| 186 | D | 70.1 | Confident | 64.7 | Low | 116 Ų | 116 | 105.8 Ų | 105.8 | 62% | 0.62 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.8 | -35.8 | 176.8 | -78.6 | -17.8 | 0 | 0 | 0 | 111.7 | S182 S189 S190 | S182-D186 PolarHBondContact O-N 3.01Å; D186-S189 WeakPolarHBondContact CA-OG 3.42Å; D186-S189 PolarHBondContact O-OG 3.09Å; D186-S189 VanDerWaalsContact O-OG 3.04Å; D186-S190 WeakPolarHBondContact O-CB 3.22Å; D186-S190 PolarHBondContact O-N 2.71Å |
| 187 | E | 77.5 | Confident | 65.9 | Low | 102 Ų | 102 | 106.1 Ų | 106.1 | 48% | 0.477 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70 | -40.1 | 176.8 | -165.7 | 177.3 | 171.9 | 0 | 0 | 112.1 | A183 S190 R191 | A183-E187 WeakPolarHBondContact O-CB 3.39Å; A183-E187 PolarHBondContact O-N 3.15Å; E187-S190 PolarHBondContact O-N 3.42Å; E187-R191 WeakPolarHBondContact O-CG 3.46Å; E187-R191 PolarHBondContact O-N 3.21Å; E187-R191 IonicContact OE1-CZ 3.35Å; E187-R191 IonicContact OE1-NE 3.4Å; E187-R191 PolarHBondContact OE1-NE 3.47Å; E187-R191 IonicContact OE1-NH2 2.69Å; E187-R191 PolarHBondContact OE1-NH2 3.26Å |
| 188 | L | 72.1 | Confident | 66.8 | Low | 111 Ų | 111 | 111.2 Ų | 111.2 | 58% | 0.581 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.8 | -42.3 | 178.2 | -158.1 | 81.9 | 0 | 0 | 0 | 111.8 | E184 R191 L192 | E184-L188 WeakPolarHBondContact O-CB 3.45Å; E184-L188 PolarHBondContact O-N 2.99Å; L188-R191 PolarHBondContact O-N 3.2Å; L188-L192 HydrophobicContact CG-CD1 4.37Å; L188-L192 WeakPolarHBondContact O-CB 3.46Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-L192 PolarHBondContact O-N 3.26Å |
| 189 | S | 76 | Confident | 66.9 | Low | 65 Ų | 65 | 115.8 Ų | 115.8 | 46% | 0.455 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.5 | -36.5 | 177.2 | 48 | 0 | 0 | 0 | 0 | 112.1 | Q185 D186 A193 | Q185-S189 PolarHBondContact O-N 3.49Å; Q185-S189 VanDerWaalsContact O-N 3.13Å; Q185-S189 PolarHBondContact O-OG 3.31Å; D186-S189 WeakPolarHBondContact CA-OG 3.42Å; D186-S189 PolarHBondContact O-OG 3.09Å; D186-S189 VanDerWaalsContact O-OG 3.04Å; S189-A193 WeakPolarHBondContact O-CB 3.49Å; S189-A193 PolarHBondContact O-N 3.15Å |
| 190 | S | 78.1 | Confident | 67.7 | Low | 57 Ų | 57 | 116.7 Ų | 116.7 | 40% | 0.399 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.1 | -40.8 | 171.6 | -168.8 | 0 | 0 | 0 | 0 | 113 | D186 E187 A193 K194 | D186-S190 WeakPolarHBondContact O-CB 3.22Å; D186-S190 PolarHBondContact O-N 2.71Å; E187-S190 PolarHBondContact O-N 3.42Å; S190-A193 PolarHBondContact O-N 2.97Å; S190-K194 WeakPolarHBondContact O-CG 3.36Å; S190-K194 PolarHBondContact O-N 3.3Å; S190-K194 VanDerWaalsContact O-N 3.12Å |
| 191 | R | 76.9 | Confident | 68.5 | Low | 159 Ų | 159 | 118 Ų | 118 | 60% | 0.6 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.2 | -41.3 | 176.5 | -75.6 | -179.1 | -175.8 | -176 | 3.8 | 112.1 | E187 L188 A193 K194 L195 | E187-R191 WeakPolarHBondContact O-CG 3.46Å; E187-R191 PolarHBondContact O-N 3.21Å; E187-R191 IonicContact OE1-CZ 3.35Å; E187-R191 IonicContact OE1-NE 3.4Å; E187-R191 PolarHBondContact OE1-NE 3.47Å; E187-R191 IonicContact OE1-NH2 2.69Å; E187-R191 PolarHBondContact OE1-NH2 3.26Å; L188-R191 PolarHBondContact O-N 3.2Å; R191-A193 VanDerWaalsContact C-N 3.34Å; R191-K194 PolarHBondContact O-N 3.12Å; R191-L195 PolarHBondContact O-N 3.12Å |
| 192 | L | 79.1 | Confident | 69.5 | Low | 109 Ų | 109 | 120.7 Ų | 120.7 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.9 | -37.7 | 175.7 | -80 | 161.8 | 0 | 0 | 0 | 112.1 | L188 L195 R196 | L188-L192 HydrophobicContact CG-CD1 4.37Å; L188-L192 WeakPolarHBondContact O-CB 3.46Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-L192 PolarHBondContact O-N 3.26Å; L192-L195 PolarHBondContact O-N 3.43Å; L192-R196 PolarHBondContact O-N 3.08Å; L192-R196 VanDerWaalsContact O-N 3.11Å |
| 193 | A | 81.4 | Confident | 70.4 | Confident | 63 Ų | 63 | 123.2 Ų | 123.2 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.3 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | S189 S190 R191 L195 R196 D197 | S189-A193 WeakPolarHBondContact O-CB 3.49Å; S189-A193 PolarHBondContact O-N 3.15Å; S190-A193 PolarHBondContact O-N 2.97Å; R191-A193 VanDerWaalsContact C-N 3.34Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 PolarHBondContact O-N 3.38Å; A193-R196 PolarHBondContact O-N 3.43Å; A193-D197 PolarHBondContact O-N 3.39Å |
| 194 | K | 81.6 | Confident | 71.3 | Confident | 144 Ų | 144 | 127.4 Ų | 127.4 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.3 | -34.7 | 177.1 | -74.6 | 175.1 | 178.8 | 170 | 0 | 113.3 | S190 R191 R196 D197 Q198 | S190-K194 WeakPolarHBondContact O-CG 3.36Å; S190-K194 PolarHBondContact O-N 3.3Å; S190-K194 VanDerWaalsContact O-N 3.12Å; R191-K194 PolarHBondContact O-N 3.12Å; K194-R196 VanDerWaalsContact C-N 3.32Å; K194-D197 PolarHBondContact O-N 3.05Å; K194-Q198 PolarHBondContact O-N 2.93Å |
| 195 | L | 76.4 | Confident | 72.3 | Confident | 118 Ų | 118 | 127.2 Ų | 127.2 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.1 | -32.7 | 176.5 | -156.3 | 85.4 | 0 | 0 | 0 | 111.8 | R191 L192 A193 D197 Q198 | R191-L195 PolarHBondContact O-N 3.12Å; L192-L195 PolarHBondContact O-N 3.43Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 PolarHBondContact O-N 3.38Å; L195-D197 VanDerWaalsContact C-N 3.33Å; L195-Q198 PolarHBondContact O-N 3.47Å |
| 196 | R | 73.1 | Confident | 73.5 | Confident | 221 Ų | 221 | 129.3 Ų | 129.3 | 83% | 0.834 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.3 | -26.3 | 177.5 | -128.1 | 178.4 | 171 | 158.2 | -1.6 | 113.4 | L192 A193 K194 Q198 | L192-R196 PolarHBondContact O-N 3.08Å; L192-R196 VanDerWaalsContact O-N 3.11Å; A193-R196 PolarHBondContact O-N 3.43Å; K194-R196 VanDerWaalsContact C-N 3.32Å; R196-Q198 VanDerWaalsContact C-N 3.34Å |
| 197 | D | 73.3 | Confident | 73.7 | Confident | 150 Ų | 150 | 130.3 Ų | 130.3 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -8.7 | 177.7 | -146.2 | 37.7 | 0 | 0 | 0 | 112.6 | A193 K194 L195 | A193-D197 PolarHBondContact O-N 3.39Å; K194-D197 PolarHBondContact O-N 3.05Å; L195-D197 VanDerWaalsContact C-N 3.33Å |
| 198 | Q | 67.9 | Low | 73.4 | Confident | 167 Ų | 167 | 132.7 Ų | 132.7 | 78% | 0.78 | 66% | 0.659 | S | S | * | * | trans | -98.1 | -1.3 | 177.9 | -86.7 | -175.1 | -23.3 | 0 | 0 | 114.3 | K194 L195 R196 | K194-Q198 PolarHBondContact O-N 2.93Å; L195-Q198 PolarHBondContact O-N 3.47Å; R196-Q198 VanDerWaalsContact C-N 3.34Å | ||
| 199 | M | 44.8 | Very low | 73.5 | Confident | 228 Ų | 228 | 134.6 Ų | 134.6 | 100% | 1.123 | 67% | 0.666 | S | S | * | * | trans | -103.3 | 0 | 169.7 | -80.9 | -105.7 | -71.3 | 0 | 0 | 109.9 |
Retrieved 199 of 199 residues in 1370 ms
(Link to these results)