| 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 | 42 | Very low | 57.8 | Low | 240 Ų | 240 | 120.4 Ų | 120.4 | 100% | 1.182 | 58% | 0.577 | S | S | * | * | 0 | 105.9 | 0 | -78.2 | 170.2 | 158.2 | 0 | 0 | 107.3 | |||||
| 2 | L | 50.5 | Low | 58.1 | Low | 181 Ų | 181 | 113.5 Ų | 113.5 | 95% | 0.948 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -75 | 121.1 | 171.2 | -87 | 148.6 | 0 | 0 | 0 | 106.9 | S4 | L2-S4 PolarHBondContact O-N 3.48Š|
| 3 | F | 52.5 | Low | 58.4 | Low | 141 Ų | 141 | 105.9 Ų | 105.9 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 136.8 | 175.9 | -74.4 | -84.3 | 0 | 0 | 0 | 110.4 | L5 W11 | F3-L5 PolarHBondContact O-N 3.36Å; F3-W11 HydrophobicContact CE1-CH2 4.46Å |
| 4 | S | 71.8 | Confident | 58.9 | Low | 59 Ų | 59 | 99.4 Ų | 99.4 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 135.6 | 174 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | L2 R6 E7 L8 | L2-S4 PolarHBondContact O-N 3.48Å; S4-R6 PolarHBondContact O-N 3.3Å; S4-E7 PolarHBondContact N-OE2 3.3Å; S4-E7 WeakPolarHBondContact O-CA 3.44Å; S4-E7 WeakPolarHBondContact O-CB 3.46Å; S4-E7 PolarHBondContact O-N 3.13Å; S4-L8 PolarHBondContact O-N 3.45Å |
| 5 | L | 56.5 | Low | 59.8 | Low | 105 Ų | 105 | 95 Ų | 95 | 55% | 0.55 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -50.5 | -30.4 | 175.8 | -98.3 | 156.3 | 0 | 0 | 0 | 112.2 | F3 V9 L19 | F3-L5 PolarHBondContact O-N 3.36Å; L5-V9 VanDerWaalsContact O-CB 3.29Å; L5-V9 WeakPolarHBondContact O-CB 3.26Å; L5-V9 WeakPolarHBondContact O-CG2 3.25Å; L5-V9 PolarHBondContact O-N 3.39Å; L5-L19 HydrophobicContact CD2-CD2 4.35Å |
| 6 | R | 60.5 | Low | 60.8 | Low | 206 Ų | 206 | 94.8 Ų | 94.8 | 78% | 0.777 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.4 | -41.6 | 174.7 | -72 | -174.6 | 177.9 | -143.5 | -0 | 112.9 | S4 V9 Q10 | S4-R6 PolarHBondContact O-N 3.3Å; R6-V9 PolarHBondContact O-N 3.15Å; R6-Q10 VanDerWaalsContact O-CB 3.24Å; R6-Q10 WeakPolarHBondContact O-CB 3.45Å; R6-Q10 PolarHBondContact O-N 3.07Å |
| 7 | E | 60.2 | Low | 61.8 | Low | 97 Ų | 97 | 96.1 Ų | 96.1 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 177 | -70.5 | 167 | 164.3 | 0 | 0 | 110.2 | S4 V9 Q10 W11 | S4-E7 PolarHBondContact N-OE2 3.3Å; S4-E7 WeakPolarHBondContact O-CA 3.44Å; S4-E7 WeakPolarHBondContact O-CB 3.46Å; S4-E7 PolarHBondContact O-N 3.13Å; E7-V9 PolarHBondContact O-N 3.3Å; E7-Q10 PolarHBondContact O-N 3.47Å; E7-Q10 VanDerWaalsContact O-N 3.12Å; E7-W11 WeakPolarHBondContact O-CB 3.47Å; E7-W11 VanDerWaalsContact O-CG 3.25Å; E7-W11 PolarHBondContact O-N 3.06Å |
| 8 | L | 58.6 | Low | 62.8 | Low | 69 Ų | 69 | 91 Ų | 91 | 36% | 0.361 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 177.2 | -163.8 | 71.2 | 0 | 0 | 0 | 111.5 | S4 Q10 W11 L12 L19 | S4-L8 PolarHBondContact O-N 3.45Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.14Å; L8-W11 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 3.14Å; L8-L19 HydrophobicContact CD2-CD1 3.93Å |
| 9 | V | 62.3 | Low | 63.8 | Low | 37 Ų | 37 | 88.9 Ų | 88.9 | 22% | 0.224 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 173.1 | 159.7 | 0 | 0 | 0 | 0 | 111.6 | L5 R6 E7 W11 G13 F14 | L5-V9 VanDerWaalsContact O-CB 3.29Å; L5-V9 WeakPolarHBondContact O-CB 3.26Å; L5-V9 WeakPolarHBondContact O-CG2 3.25Å; L5-V9 PolarHBondContact O-N 3.39Å; R6-V9 PolarHBondContact O-N 3.15Å; E7-V9 PolarHBondContact O-N 3.3Å; V9-W11 VanDerWaalsContact C-N 3.34Å; V9-W11 PolarHBondContact O-N 3.06Å; V9-G13 VanDerWaalsContact O-CA 3.3Å; V9-G13 WeakPolarHBondContact O-CA 3.4Å; V9-G13 PolarHBondContact O-N 3.32Å; V9-F14 WeakPolarHBondContact CG1-O 3.37Å |
| 10 | Q | 62 | Low | 64.9 | Low | 121 Ų | 121 | 90.9 Ų | 90.9 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71.3 | -30.5 | 179.9 | -165.9 | 149.8 | -34 | 0 | 0 | 112.6 | R6 E7 L8 R133 | R6-Q10 VanDerWaalsContact O-CB 3.24Å; R6-Q10 WeakPolarHBondContact O-CB 3.45Å; R6-Q10 PolarHBondContact O-N 3.07Å; E7-Q10 PolarHBondContact O-N 3.47Å; E7-Q10 VanDerWaalsContact O-N 3.12Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.14Å; Q10-R133 PolarHBondContact O-NH2 2.79Å |
| 11 | W | 59 | Low | 65.9 | Low | 68 Ų | 68 | 87.9 Ų | 87.9 | 26% | 0.258 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -85.8 | -40.5 | -178.9 | -74.3 | 36.8 | 0 | 0 | 0 | 112.8 | F3 E7 L8 V9 R133 A134 | F3-W11 HydrophobicContact CE1-CH2 4.46Å; E7-W11 WeakPolarHBondContact O-CB 3.47Å; E7-W11 VanDerWaalsContact O-CG 3.25Å; E7-W11 PolarHBondContact O-N 3.06Å; L8-W11 PolarHBondContact O-N 3.37Å; V9-W11 VanDerWaalsContact C-N 3.34Å; V9-W11 PolarHBondContact O-N 3.06Å; W11-R133 WeakPolarHBondContact O-CD 3.34Å; W11-R133 PolarHBondContact O-NE 3.42Å; W11-R133 PolarHBondContact O-NH1 3.09Å; W11-A134 HydrophobicContact CE3-CB 3.78Å; W11-A134 HydrophobicContact CH2-CB 3.3Å; W11-A134 HydrophobicContact CZ2-CB 4.15Å; W11-A134 HydrophobicContact CZ3-CB 3.08Å |
| 12 | L | 61.1 | Low | 68 | Low | 38 Ų | 38 | 78.1 Ų | 78.1 | 20% | 0.199 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -78.3 | -31 | 177.2 | -131 | 61.7 | 0 | 0 | 0 | 110.4 | L8 F14 L130 | L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 3.14Å; L12-F14 HydrophobicContact CB-CD2 3.78Å; L12-F14 HydrophobicContact CB-CE2 4.49Å; L12-F14 HydrophobicContact CD2-CD2 3.44Å; L12-F14 VanDerWaalsContact CD2-CD2 3.44Å; L12-F14 HydrophobicContact CD2-CE2 3.95Å; L12-F14 HydrophobicContact CG-CD2 3.42Å; L12-F14 VanDerWaalsContact CG-CD2 3.42Å; L12-F14 HydrophobicContact CG-CE2 3.77Å; L12-F14 PolarHBondContact O-N 3.36Å; L12-L130 HydrophobicContact CD1-CD1 4.45Å; L12-L130 HydrophobicContact CD1-CD2 3.69Å |
| 13 | G | 62.3 | Low | 69.7 | Low | 15 Ų | 15 | 74.7 Ų | 74.7 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | trans | 79.1 | 0.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V9 | V9-G13 VanDerWaalsContact O-CA 3.3Å; V9-G13 WeakPolarHBondContact O-CA 3.4Å; V9-G13 PolarHBondContact O-N 3.32Å | ||
| 14 | F | 65.1 | Low | 71.4 | Confident | 15 Ų | 15 | 72.2 Ų | 72.2 | 7% | 0.066 | 36% | 0.36 | C | S | . | . | trans | -82.7 | 144.2 | 176.7 | -69.8 | -59.4 | 0 | 0 | 0 | 112 | V9 L12 E18 V87 V90 L91 | V9-F14 WeakPolarHBondContact CG1-O 3.37Å; L12-F14 HydrophobicContact CB-CD2 3.78Å; L12-F14 HydrophobicContact CB-CE2 4.49Å; L12-F14 HydrophobicContact CD2-CD2 3.44Å; L12-F14 VanDerWaalsContact CD2-CD2 3.44Å; L12-F14 HydrophobicContact CD2-CE2 3.95Å; L12-F14 HydrophobicContact CG-CD2 3.42Å; L12-F14 VanDerWaalsContact CG-CD2 3.42Å; L12-F14 HydrophobicContact CG-CE2 3.77Å; L12-F14 PolarHBondContact O-N 3.36Å; F14-E18 WeakPolarHBondContact CA-OE2 3.46Å; F14-E18 HydrophobicContact CB-CB 4.2Å; F14-E18 WeakPolarHBondContact CB-OE2 3.47Å; F14-E18 HydrophobicContact CD1-CB 4.26Å; F14-E18 VanDerWaalsContact CD1-OE2 3.26Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.4Å; F14-V87 HydrophobicContact CD1-CG1 3.88Å; F14-V87 HydrophobicContact CE1-CG1 3.33Å; F14-V87 HydrophobicContact CZ-CG1 3.96Å; F14-V90 HydrophobicContact CE2-CG1 3.99Å; F14-V90 HydrophobicContact CZ-CG1 4.12Å; F14-L91 HydrophobicContact CE1-CD1 3.55Å; F14-L91 HydrophobicContact CZ-CD1 3.41Å; F14-L91 VanDerWaalsContact CZ-CD1 3.41Å | ||
| 15 | A | 72.8 | Confident | 72.2 | Confident | 33 Ų | 33 | 69.7 Ų | 69.7 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | trans | -67 | 153.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F17 E18 L19 F63 | A15-F17 PolarHBondContact O-N 2.99Å; A15-F17 VanDerWaalsContact O-N 3.12Å; A15-E18 HydrophobicContact CB-CG 4.41Å; A15-E18 PolarHBondContact N-OE2 2.96Å; A15-E18 PolarHBondContact O-N 3.03Å; A15-L19 PolarHBondContact O-N 3.47Å; A15-F63 HydrophobicContact CB-CE1 4.02Å | ||
| 16 | T | 76.5 | Confident | 73.7 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 56% | 0.564 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -55.5 | -31.6 | 174.7 | -42.3 | 0 | 0 | 0 | 0 | 112.1 | L19 F20 | T16-L19 PolarHBondContact O-N 3.27Å; T16-F20 PolarHBondContact O-N 3.06Å; T16-F20 VanDerWaalsContact O-N 3.09Å |
| 17 | F | 77.4 | Confident | 75 | Confident | 117 Ų | 117 | 64.5 Ų | 64.5 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 175.2 | 179 | -100.2 | 0 | 0 | 0 | 113 | A15 L19 F20 L21 | A15-F17 PolarHBondContact O-N 2.99Å; A15-F17 VanDerWaalsContact O-N 3.12Å; F17-L19 VanDerWaalsContact C-N 3.28Å; F17-L19 PolarHBondContact O-N 3.36Å; F17-F20 PolarHBondContact O-N 3.19Å; F17-L21 HydrophobicContact CE1-CD1 4Å; F17-L21 HydrophobicContact CZ-CD1 3.96Å; F17-L21 WeakPolarHBondContact O-CB 3.38Å; F17-L21 PolarHBondContact O-N 3.46Å |
| 18 | E | 80.2 | Confident | 76.4 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 178.4 | -67.6 | 169.3 | 139.8 | 0 | 0 | 110.4 | F14 A15 F20 L21 H22 F63 T64 | F14-E18 WeakPolarHBondContact CA-OE2 3.46Å; F14-E18 HydrophobicContact CB-CB 4.2Å; F14-E18 WeakPolarHBondContact CB-OE2 3.47Å; F14-E18 HydrophobicContact CD1-CB 4.26Å; F14-E18 VanDerWaalsContact CD1-OE2 3.26Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.4Å; A15-E18 HydrophobicContact CB-CG 4.41Å; A15-E18 PolarHBondContact N-OE2 2.96Å; A15-E18 PolarHBondContact O-N 3.03Å; E18-F20 PolarHBondContact O-N 3.09Å; E18-L21 WeakPolarHBondContact O-CB 3.26Å; E18-L21 PolarHBondContact O-N 3.03Å; E18-H22 PolarHBondContact O-CD2 2.9Å; E18-H22 PolarHBondContact O-N 3.4Å; E18-F63 HydrophobicContact CG-CD1 4.12Å; E18-F63 WeakPolarHBondContact OE1-CD1 3.48Å; E18-T64 PolarHBondContact OE1-OG1 2.87Å |
| 19 | L | 81.3 | Confident | 77.8 | Confident | 51 Ų | 51 | 62.5 Ų | 62.5 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 176.3 | -162.3 | 135.1 | 0 | 0 | 0 | 112.2 | L5 L8 A15 T16 F17 L21 H22 L23 | L5-L19 HydrophobicContact CD2-CD2 4.35Å; L8-L19 HydrophobicContact CD2-CD1 3.93Å; A15-L19 PolarHBondContact O-N 3.47Å; T16-L19 PolarHBondContact O-N 3.27Å; F17-L19 VanDerWaalsContact C-N 3.28Å; F17-L19 PolarHBondContact O-N 3.36Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-H22 PolarHBondContact O-N 3.33Å; L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 PolarHBondContact O-N 3.25Å |
| 20 | F | 85.1 | Confident | 79 | Confident | 128 Ų | 128 | 64.3 Ų | 64.3 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | 173.8 | -174.4 | -99.9 | 0 | 0 | 0 | 112 | T16 F17 E18 L23 L24 | T16-F20 PolarHBondContact O-N 3.06Å; T16-F20 VanDerWaalsContact O-N 3.09Å; F17-F20 PolarHBondContact O-N 3.19Å; E18-F20 PolarHBondContact O-N 3.09Å; F20-L23 PolarHBondContact O-N 3.5Å; F20-L24 PolarHBondContact O-N 2.76Å |
| 21 | L | 86.8 | Confident | 80.3 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -45 | 177.6 | -161.8 | 109.7 | 0 | 0 | 0 | 111.8 | F17 E18 L19 L23 L24 A25 A56 L59 | F17-L21 HydrophobicContact CE1-CD1 4Å; F17-L21 HydrophobicContact CZ-CD1 3.96Å; F17-L21 WeakPolarHBondContact O-CB 3.38Å; F17-L21 PolarHBondContact O-N 3.46Å; E18-L21 WeakPolarHBondContact O-CB 3.26Å; E18-L21 PolarHBondContact O-N 3.03Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L24 PolarHBondContact O-N 3.43Å; L21-A25 WeakPolarHBondContact O-CB 3.06Å; L21-A25 PolarHBondContact O-N 3.22Å; L21-A56 HydrophobicContact CD2-CB 3.71Å; L21-A56 WeakPolarHBondContact CD2-O 3.47Å; L21-A56 HydrophobicContact CG-CB 4.48Å; L21-L59 HydrophobicContact CD1-CD2 3.51Å; L21-L59 HydrophobicContact CD2-CB 3.88Å; L21-L59 HydrophobicContact CD2-CD2 4.1Å; L21-L59 HydrophobicContact CG-CD2 4.46Å |
| 22 | H | 85.6 | Confident | 81.6 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65 | -37.5 | 174.7 | -70.6 | -56.8 | 0 | 0 | 0 | 112.4 | E18 L19 A25 L26 D57 S60 | E18-H22 PolarHBondContact O-CD2 2.9Å; E18-H22 PolarHBondContact O-N 3.4Å; L19-H22 PolarHBondContact O-N 3.33Å; H22-A25 PolarHBondContact O-N 2.97Å; H22-L26 WeakPolarHBondContact O-CB 3.45Å; H22-L26 PolarHBondContact O-N 3.47Å; H22-D57 IonicContact CE1-OD1 3.05Å; H22-D57 PolarHBondContact CE1-OD1 3.12Å; H22-D57 IonicContact ND1-OD1 3.64Å; H22-S60 PolarHBondContact CE1-OG 3.32Å; H22-S60 PolarHBondContact NE2-OG 3.07Å |
| 23 | L | 86.8 | Confident | 82.7 | Confident | 108 Ų | 108 | 63.5 Ų | 63.5 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 175.8 | -169.2 | 71.6 | 0 | 0 | 0 | 111.5 | L19 F20 L21 L26 L27 | L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 PolarHBondContact O-N 3.25Å; F20-L23 PolarHBondContact O-N 3.5Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L23-L26 PolarHBondContact O-N 3.23Å; L23-L27 PolarHBondContact O-N 2.94Å |
| 24 | L | 88 | Confident | 83.8 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 47% | 0.466 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.3 | -175 | 68.5 | 0 | 0 | 0 | 111.3 | F20 L21 L26 L27 L28 | F20-L24 PolarHBondContact O-N 2.76Å; L21-L24 PolarHBondContact O-N 3.43Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.93Å; L24-L27 WeakPolarHBondContact O-CB 3.32Å; L24-L27 PolarHBondContact O-N 3.45Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.95Å |
| 25 | A | 88.8 | Confident | 84.7 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L21 H22 L27 L28 F29 P52 A56 | L21-A25 WeakPolarHBondContact O-CB 3.06Å; L21-A25 PolarHBondContact O-N 3.22Å; H22-A25 PolarHBondContact O-N 2.97Å; A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L28 PolarHBondContact O-N 3.38Å; A25-F29 VanDerWaalsContact O-CB 3.27Å; A25-F29 WeakPolarHBondContact O-CB 2.99Å; A25-F29 PolarHBondContact O-N 3.42Å; A25-P52 WeakPolarHBondContact CB-O 3.34Å; A25-A56 HydrophobicContact CB-CB 3.42Å; A25-A56 VanDerWaalsContact CB-CB 3.42Å |
| 26 | L | 87.2 | Confident | 85.2 | Confident | 105 Ų | 105 | 67 Ų | 67 | 55% | 0.55 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 175.1 | -167.5 | 114.3 | 0 | 0 | 0 | 111.7 | H22 L23 L24 F29 S30 | H22-L26 WeakPolarHBondContact O-CB 3.45Å; H22-L26 PolarHBondContact O-N 3.47Å; L23-L26 PolarHBondContact O-N 3.23Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.93Å; L26-F29 PolarHBondContact O-N 3.13Å; L26-S30 WeakPolarHBondContact O-CB 3.14Å; L26-S30 PolarHBondContact O-N 3.39Å |
| 27 | L | 88.8 | Confident | 85.3 | Confident | 97 Ų | 97 | 66.9 Ų | 66.9 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 175.7 | -162.3 | 162.6 | 0 | 0 | 0 | 111 | L23 L24 A25 F29 S30 M31 | L23-L27 PolarHBondContact O-N 2.94Å; L24-L27 WeakPolarHBondContact O-CB 3.32Å; L24-L27 PolarHBondContact O-N 3.45Å; A25-L27 VanDerWaalsContact C-N 3.32Å; L27-F29 VanDerWaalsContact C-N 3.33Å; L27-F29 PolarHBondContact O-N 3.31Å; L27-S30 WeakPolarHBondContact O-CB 3.15Å; L27-S30 PolarHBondContact O-N 2.99Å; L27-M31 HydrophobicContact CD2-CE 4.35Å; L27-M31 HydrophobicContact CD2-CG 4.13Å; L27-M31 WeakPolarHBondContact O-CG 3.43Å; L27-M31 PolarHBondContact O-N 2.96Å |
| 28 | L | 89.9 | Confident | 85.4 | Confident | 81 Ų | 81 | 67.5 Ų | 67.5 | 42% | 0.424 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 174.9 | -69.6 | 175.1 | 0 | 0 | 0 | 111.1 | L24 A25 S30 M31 L32 P52 | L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.95Å; A25-L28 PolarHBondContact O-N 3.38Å; L28-S30 PolarHBondContact O-N 2.91Å; L28-M31 WeakPolarHBondContact O-CB 3.38Å; L28-M31 PolarHBondContact O-N 3.3Å; L28-L32 WeakPolarHBondContact O-CD1 3.46Å; L28-L32 PolarHBondContact O-N 3.07Å; L28-P52 HydrophobicContact CB-CB 4.02Å; L28-P52 HydrophobicContact CB-CG 4.31Å |
| 29 | F | 87.9 | Confident | 84.8 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 18% | 0.184 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59 | -46 | 175.7 | 172.1 | -97.8 | 0 | 0 | 0 | 112.7 | A25 L26 L27 M31 L32 V33 V49 F50 L53 | A25-F29 VanDerWaalsContact O-CB 3.27Å; A25-F29 WeakPolarHBondContact O-CB 2.99Å; A25-F29 PolarHBondContact O-N 3.42Å; L26-F29 PolarHBondContact O-N 3.13Å; L27-F29 VanDerWaalsContact C-N 3.33Å; L27-F29 PolarHBondContact O-N 3.31Å; F29-M31 VanDerWaalsContact C-N 3.26Å; F29-M31 PolarHBondContact O-N 3.42Å; F29-L32 PolarHBondContact O-N 3.1Å; F29-L32 VanDerWaalsContact O-N 3.15Å; F29-V33 HydrophobicContact CD1-CG2 4.12Å; F29-V33 HydrophobicContact CD2-CG2 4.2Å; F29-V33 HydrophobicContact CE1-CG2 3.72Å; F29-V33 HydrophobicContact CE2-CG2 3.8Å; F29-V33 HydrophobicContact CG-CG2 4.34Å; F29-V33 HydrophobicContact CZ-CG2 3.54Å; F29-V33 WeakPolarHBondContact O-CB 3.16Å; F29-V33 VanDerWaalsContact O-CG2 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.24Å; F29-V33 PolarHBondContact O-N 2.99Å; F29-V49 HydrophobicContact CD2-CG1 4.04Å; F29-V49 WeakPolarHBondContact CD2-O 3.3Å; F29-V49 HydrophobicContact CE2-CG1 3.84Å; F29-F50 HydrophobicContact CD2-CD1 4.38Å; F29-F50 HydrophobicContact CD2-CG 4.46Å; F29-F50 AromaticContact CE2-CD1 3.67Å; F29-F50 HydrophobicContact CE2-CD1 3.67Å; F29-F50 AromaticContact CE2-CD2 3.88Å; F29-F50 HydrophobicContact CE2-CD2 3.88Å; F29-F50 AromaticContact CE2-CE1 3.67Å; F29-F50 HydrophobicContact CE2-CE1 3.67Å; F29-F50 AromaticContact CE2-CE2 3.89Å; F29-F50 HydrophobicContact CE2-CE2 3.89Å; F29-F50 AromaticContact CE2-CG 3.79Å; F29-F50 HydrophobicContact CE2-CG 3.79Å; F29-F50 AromaticContact CE2-CZ 3.78Å; F29-F50 HydrophobicContact CE2-CZ 3.78Å; F29-F50 HydrophobicContact CZ-CD1 4.31Å; F29-F50 AromaticContact CZ-CE1 3.84Å; F29-F50 HydrophobicContact CZ-CE1 3.84Å; F29-F50 HydrophobicContact CZ-CE2 4.21Å; F29-F50 AromaticContact CZ-CZ 3.79Å; F29-F50 HydrophobicContact CZ-CZ 3.79Å; F29-L53 HydrophobicContact CB-CD1 3.23Å; F29-L53 HydrophobicContact CD1-CD1 4.26Å; F29-L53 HydrophobicContact CD2-CD1 3.88Å; F29-L53 HydrophobicContact CD2-CD2 4.34Å; F29-L53 HydrophobicContact CG-CD1 3.54Å; F29-L53 HydrophobicContact CG-CD2 4.37Å |
| 30 | S | 87.4 | Confident | 84.2 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.8 | -40.9 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | L26 L27 L28 A34 | L26-S30 WeakPolarHBondContact O-CB 3.14Å; L26-S30 PolarHBondContact O-N 3.39Å; L27-S30 WeakPolarHBondContact O-CB 3.15Å; L27-S30 PolarHBondContact O-N 2.99Å; L28-S30 PolarHBondContact O-N 2.91Å; S30-A34 WeakPolarHBondContact O-CB 3.42Å; S30-A34 PolarHBondContact O-N 3.06Å |
| 31 | M | 88.4 | Confident | 83.1 | Confident | 122 Ų | 122 | 71.9 Ų | 71.9 | 60% | 0.601 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66 | -43.7 | 174.9 | -70.4 | -69.7 | -177.5 | 0 | 0 | 112.2 | L27 L28 F29 A34 L35 | L27-M31 HydrophobicContact CD2-CE 4.35Å; L27-M31 HydrophobicContact CD2-CG 4.13Å; L27-M31 WeakPolarHBondContact O-CG 3.43Å; L27-M31 PolarHBondContact O-N 2.96Å; L28-M31 WeakPolarHBondContact O-CB 3.38Å; L28-M31 PolarHBondContact O-N 3.3Å; F29-M31 VanDerWaalsContact C-N 3.26Å; F29-M31 PolarHBondContact O-N 3.42Å; M31-A34 PolarHBondContact O-N 2.94Å; M31-L35 WeakPolarHBondContact O-CB 3.37Å; M31-L35 PolarHBondContact O-N 3.39Å |
| 32 | L | 85.8 | Confident | 82.1 | Confident | 47 Ų | 47 | 78.6 Ų | 78.6 | 25% | 0.246 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 177.2 | -88 | 81.2 | 0 | 0 | 0 | 112 | L28 F29 L35 R36 V49 P52 | L28-L32 WeakPolarHBondContact O-CD1 3.46Å; L28-L32 PolarHBondContact O-N 3.07Å; F29-L32 PolarHBondContact O-N 3.1Å; F29-L32 VanDerWaalsContact O-N 3.15Å; L32-L35 PolarHBondContact O-N 3.27Å; L32-R36 VanDerWaalsContact O-CB 3.3Å; L32-R36 WeakPolarHBondContact O-CB 3.49Å; L32-R36 PolarHBondContact O-N 3.02Å; L32-V49 HydrophobicContact CB-CG1 4.06Å; L32-P52 HydrophobicContact CD1-CG 4.31Å; L32-P52 HydrophobicContact CD2-CG 4.16Å |
| 33 | V | 85.1 | Confident | 81.1 | Confident | 41 Ų | 41 | 87.8 Ų | 87.8 | 25% | 0.248 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 174.9 | 169.9 | 0 | 0 | 0 | 0 | 110.2 | F29 L35 R36 V37 V49 | F29-V33 HydrophobicContact CD1-CG2 4.12Å; F29-V33 HydrophobicContact CD2-CG2 4.2Å; F29-V33 HydrophobicContact CE1-CG2 3.72Å; F29-V33 HydrophobicContact CE2-CG2 3.8Å; F29-V33 HydrophobicContact CG-CG2 4.34Å; F29-V33 HydrophobicContact CZ-CG2 3.54Å; F29-V33 WeakPolarHBondContact O-CB 3.16Å; F29-V33 VanDerWaalsContact O-CG2 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.24Å; F29-V33 PolarHBondContact O-N 2.99Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.49Å; V33-R36 WeakPolarHBondContact O-CB 3.29Å; V33-R36 PolarHBondContact O-N 3.49Å; V33-V37 WeakPolarHBondContact O-CG2 3.26Å; V33-V37 PolarHBondContact O-N 3.41Å; V33-V49 HydrophobicContact CB-CG1 4.44Å; V33-V49 HydrophobicContact CG2-CG1 3.49Å; V33-V49 VanDerWaalsContact CG2-CG1 3.49Å |
| 34 | A | 85.6 | Confident | 80.4 | Confident | 45 Ų | 45 | 83.9 Ų | 83.9 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.3 | -46 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S30 M31 R36 V37 D38 | S30-A34 WeakPolarHBondContact O-CB 3.42Å; S30-A34 PolarHBondContact O-N 3.06Å; M31-A34 PolarHBondContact O-N 2.94Å; A34-R36 VanDerWaalsContact C-N 3.31Å; A34-R36 PolarHBondContact O-N 3.42Å; A34-V37 PolarHBondContact O-N 2.85Å; A34-D38 PolarHBondContact O-N 2.92Å |
| 35 | L | 84.1 | Confident | 80 | Confident | 78 Ų | 78 | 82.9 Ų | 82.9 | 41% | 0.408 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 177.9 | -171.6 | 68.7 | 0 | 0 | 0 | 112.7 | M31 L32 V33 L39 L40 | M31-L35 WeakPolarHBondContact O-CB 3.37Å; M31-L35 PolarHBondContact O-N 3.39Å; L32-L35 PolarHBondContact O-N 3.27Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.49Å; L35-L39 HydrophobicContact CD1-CB 4.2Å; L35-L39 HydrophobicContact CD1-CD1 3.84Å; L35-L39 PolarHBondContact O-N 2.89Å; L35-L40 HydrophobicContact CD2-CD1 4.4Å; L35-L40 HydrophobicContact CG-CD1 4.45Å; L35-L40 PolarHBondContact O-N 3.22Å |
| 36 | R | 82 | Confident | 79.4 | Confident | 14 Ų | 14 | 84.5 Ų | 84.5 | 5% | 0.053 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 177.5 | -172.2 | -132.8 | 179.5 | 81.3 | 8.2 | 111.6 | L32 V33 A34 S41 L44 W46 V49 | L32-R36 VanDerWaalsContact O-CB 3.3Å; L32-R36 WeakPolarHBondContact O-CB 3.49Å; L32-R36 PolarHBondContact O-N 3.02Å; V33-R36 WeakPolarHBondContact O-CB 3.29Å; V33-R36 PolarHBondContact O-N 3.49Å; A34-R36 VanDerWaalsContact C-N 3.31Å; A34-R36 PolarHBondContact O-N 3.42Å; R36-S41 WeakPolarHBondContact O-CA 3.42Å; R36-S41 PolarHBondContact O-N 3.45Å; R36-S41 PolarHBondContact O-OG 2.81Å; R36-L44 HydrophobicContact CG-CB 4.13Å; R36-L44 PolarHBondContact NH1-O 3.26Å; R36-L44 PolarHBondContact NH2-O 3.41Å; R36-L44 VanDerWaalsContact NH2-O 3.08Å; R36-W46 VanDerWaalsContact CD-CH2 3.45Å; R36-W46 VanDerWaalsContact CD-CZ3 3.45Å; R36-W46 VanDerWaalsContact CZ-CG 3.46Å; R36-W46 VanDerWaalsContact NE-CE2 3.32Å; R36-W46 VanDerWaalsContact NE-CH2 3.32Å; R36-W46 VanDerWaalsContact NH1-CG 3.27Å; R36-V49 HydrophobicContact CB-CG2 4.22Å; R36-V49 HydrophobicContact CG-CG2 4.24Å |
| 37 | V | 79.5 | Confident | 79 | Confident | 90 Ų | 90 | 85.5 Ų | 85.5 | 55% | 0.545 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69 | -39.1 | -179.9 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | V33 A34 | V33-V37 WeakPolarHBondContact O-CG2 3.26Å; V33-V37 PolarHBondContact O-N 3.41Å; A34-V37 PolarHBondContact O-N 2.85Å |
| 38 | D | 79.9 | Confident | 78.7 | Confident | 129 Ų | 129 | 85.8 Ų | 85.8 | 69% | 0.69 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -92.8 | -36.9 | -171.7 | -70.7 | -28.2 | 0 | 0 | 0 | 114.6 | A34 | A34-D38 PolarHBondContact O-N 2.92Å |
| 39 | L | 67.6 | Low | 78.5 | Confident | 130 Ų | 130 | 82 Ų | 82 | 68% | 0.681 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | -27.2 | -167.3 | -81.1 | 113.1 | 0 | 0 | 0 | 116.1 | L35 | L35-L39 HydrophobicContact CD1-CB 4.2Å; L35-L39 HydrophobicContact CD1-CD1 3.84Å; L35-L39 PolarHBondContact O-N 2.89Å |
| 40 | L | 67.9 | Low | 78.4 | Confident | 65 Ų | 65 | 80.4 Ų | 80.4 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | trans | -138.1 | 35.1 | -163.8 | -67.5 | 168.5 | 0 | 0 | 0 | 114.4 | L35 D42 R43 L44 | L35-L40 HydrophobicContact CD2-CD1 4.4Å; L35-L40 HydrophobicContact CG-CD1 4.45Å; L35-L40 PolarHBondContact O-N 3.22Å; L40-D42 PolarHBondContact O-N 3.12Å; L40-R43 HydrophobicContact CD2-CB 4.38Å; L40-R43 PolarHBondContact O-N 3.47Å; L40-R43 VanDerWaalsContact O-N 3.1Å; L40-L44 HydrophobicContact CB-CD1 3.57Å; L40-L44 HydrophobicContact CD1-CD1 3.43Å; L40-L44 VanDerWaalsContact CD1-CD1 3.43Å; L40-L44 HydrophobicContact CG-CD1 4.13Å; L40-L44 PolarHBondContact O-N 2.98Å | ||
| 41 | S | 62.3 | Low | 78.3 | Confident | 81 Ų | 81 | 80.4 Ų | 80.4 | 57% | 0.566 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | -35.5 | -176.9 | -72.4 | 0 | 0 | 0 | 0 | 114.9 | R36 | R36-S41 WeakPolarHBondContact O-CA 3.42Å; R36-S41 PolarHBondContact O-N 3.45Å; R36-S41 PolarHBondContact O-OG 2.81Å |
| 42 | D | 64.8 | Low | 78.3 | Confident | 169 Ų | 169 | 75.7 Ų | 75.7 | 90% | 0.904 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -12.8 | -175.1 | -118.4 | -7.2 | 0 | 0 | 0 | 114.8 | L40 | L40-D42 PolarHBondContact O-N 3.12Š|
| 43 | R | 66 | Low | 78.3 | Confident | 229 Ų | 229 | 74.2 Ų | 74.2 | 86% | 0.864 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -23.6 | -176.9 | -69.2 | -166.6 | -173 | -141.8 | 3.7 | 114 | L40 | L40-R43 HydrophobicContact CD2-CB 4.38Å; L40-R43 PolarHBondContact O-N 3.47Å; L40-R43 VanDerWaalsContact O-N 3.1Å |
| 44 | L | 71.1 | Confident | 78.3 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 14% | 0.136 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -99.1 | 106.7 | -177.7 | -104.1 | 130.1 | 0 | 0 | 0 | 111.1 | R36 L40 L48 V49 | R36-L44 HydrophobicContact CG-CB 4.13Å; R36-L44 PolarHBondContact NH1-O 3.26Å; R36-L44 PolarHBondContact NH2-O 3.41Å; R36-L44 VanDerWaalsContact NH2-O 3.08Å; L40-L44 HydrophobicContact CB-CD1 3.57Å; L40-L44 HydrophobicContact CD1-CD1 3.43Å; L40-L44 VanDerWaalsContact CD1-CD1 3.43Å; L40-L44 HydrophobicContact CG-CD1 4.13Å; L40-L44 PolarHBondContact O-N 2.98Å; L44-L48 HydrophobicContact CD2-CB 4.24Å; L44-L48 HydrophobicContact CD2-CD2 3.97Å; L44-V49 HydrophobicContact CD2-CG2 3.95Å |
| 45 | S | 79.9 | Confident | 78.5 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 47% | 0.469 | 39% | 0.394 | S | S | . | . | trans | -60.8 | 142.5 | 170.5 | -178.1 | 0 | 0 | 0 | 0 | 111 | W47 L48 V49 | S45-W47 PolarHBondContact O-N 2.95Å; S45-L48 WeakPolarHBondContact O-CB 3.18Å; S45-L48 PolarHBondContact O-N 2.95Å; S45-V49 PolarHBondContact O-N 3.48Å | ||
| 46 | W | 77.1 | Confident | 78.7 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 16% | 0.159 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.4 | -34.1 | 175.6 | -71.6 | 106.7 | 0 | 0 | 0 | 111.4 | R36 L48 V49 F50 L105 A106 D109 | R36-W46 VanDerWaalsContact CD-CH2 3.45Å; R36-W46 VanDerWaalsContact CD-CZ3 3.45Å; R36-W46 VanDerWaalsContact CZ-CG 3.46Å; R36-W46 VanDerWaalsContact NE-CE2 3.32Å; R36-W46 VanDerWaalsContact NE-CH2 3.32Å; R36-W46 VanDerWaalsContact NH1-CG 3.27Å; W46-L48 VanDerWaalsContact C-N 3.27Å; W46-L48 PolarHBondContact O-N 3.5Å; W46-V49 PolarHBondContact O-N 3.5Å; W46-F50 WeakPolarHBondContact O-CD2 3.42Å; W46-F50 PolarHBondContact O-N 2.83Å; W46-L105 HydrophobicContact CD2-CB 3.68Å; W46-L105 HydrophobicContact CD2-CD2 3.97Å; W46-L105 HydrophobicContact CD2-CG 4.45Å; W46-L105 HydrophobicContact CE3-CB 3.99Å; W46-L105 HydrophobicContact CE3-CD2 3.42Å; W46-L105 VanDerWaalsContact CE3-CD2 3.42Å; W46-L105 HydrophobicContact CE3-CG 4.34Å; W46-L105 HydrophobicContact CG-CB 3.96Å; W46-L105 HydrophobicContact CH2-CD2 3.66Å; W46-L105 HydrophobicContact CZ2-CD2 4.14Å; W46-L105 HydrophobicContact CZ3-CD2 3.27Å; W46-L105 HydrophobicContact CZ3-CG 4.46Å; W46-L105 PolarHBondContact NE1-O 2.95Å; W46-L105 VanDerWaalsContact NE1-O 3.13Å; W46-A106 HydrophobicContact CB-CB 4.4Å; W46-D109 PolarHBondContact NE1-OD2 3.23Å |
| 47 | W | 78.8 | Confident | 78.8 | Confident | 125 Ų | 125 | 71.2 Ų | 71.2 | 47% | 0.473 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.4 | -37.8 | 173.8 | -68.9 | 94.3 | 0 | 0 | 0 | 113.7 | S45 V51 Q103 | S45-W47 PolarHBondContact O-N 2.95Å; W47-V51 WeakPolarHBondContact O-CG2 3.43Å; W47-V51 PolarHBondContact O-N 3Å; W47-Q103 HydrophobicContact CZ2-CG 4.48Å |
| 48 | L | 81.9 | Confident | 79.1 | Confident | 104 Ų | 104 | 68.9 Ų | 68.9 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -74 | -34 | -178.6 | -143.6 | 87.3 | 0 | 0 | 0 | 111.8 | L44 S45 W46 F50 V51 | L44-L48 HydrophobicContact CD2-CB 4.24Å; L44-L48 HydrophobicContact CD2-CD2 3.97Å; S45-L48 WeakPolarHBondContact O-CB 3.18Å; S45-L48 PolarHBondContact O-N 2.95Å; W46-L48 VanDerWaalsContact C-N 3.27Å; W46-L48 PolarHBondContact O-N 3.5Å; L48-F50 VanDerWaalsContact C-N 3.28Å; L48-F50 PolarHBondContact O-N 3.11Å; L48-V51 WeakPolarHBondContact O-CB 3.5Å; L48-V51 WeakPolarHBondContact O-CG2 3.47Å; L48-V51 PolarHBondContact O-N 2.89Å |
| 49 | V | 85.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 178.2 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | F29 L32 V33 R36 L44 S45 W46 P52 | F29-V49 HydrophobicContact CD2-CG1 4.04Å; F29-V49 WeakPolarHBondContact CD2-O 3.3Å; F29-V49 HydrophobicContact CE2-CG1 3.84Å; L32-V49 HydrophobicContact CB-CG1 4.06Å; V33-V49 HydrophobicContact CB-CG1 4.44Å; V33-V49 HydrophobicContact CG2-CG1 3.49Å; V33-V49 VanDerWaalsContact CG2-CG1 3.49Å; R36-V49 HydrophobicContact CB-CG2 4.22Å; R36-V49 HydrophobicContact CG-CG2 4.24Å; L44-V49 HydrophobicContact CD2-CG2 3.95Å; S45-V49 PolarHBondContact O-N 3.48Å; W46-V49 PolarHBondContact O-N 3.5Å; V49-P52 VanDerWaalsContact O-CD 3.26Å; V49-P52 WeakPolarHBondContact O-CD 3.42Å |
| 50 | F | 85.4 | Confident | 80.3 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -6.2 | 179.4 | -79.8 | -95.9 | 0 | 0 | 0 | 114.8 | F29 W46 L48 P52 L53 F54 L101 C102 | F29-F50 HydrophobicContact CD2-CD1 4.38Å; F29-F50 HydrophobicContact CD2-CG 4.46Å; F29-F50 AromaticContact CE2-CD1 3.67Å; F29-F50 HydrophobicContact CE2-CD1 3.67Å; F29-F50 AromaticContact CE2-CD2 3.88Å; F29-F50 HydrophobicContact CE2-CD2 3.88Å; F29-F50 AromaticContact CE2-CE1 3.67Å; F29-F50 HydrophobicContact CE2-CE1 3.67Å; F29-F50 AromaticContact CE2-CE2 3.89Å; F29-F50 HydrophobicContact CE2-CE2 3.89Å; F29-F50 AromaticContact CE2-CG 3.79Å; F29-F50 HydrophobicContact CE2-CG 3.79Å; F29-F50 AromaticContact CE2-CZ 3.78Å; F29-F50 HydrophobicContact CE2-CZ 3.78Å; F29-F50 HydrophobicContact CZ-CD1 4.31Å; F29-F50 AromaticContact CZ-CE1 3.84Å; F29-F50 HydrophobicContact CZ-CE1 3.84Å; F29-F50 HydrophobicContact CZ-CE2 4.21Å; F29-F50 AromaticContact CZ-CZ 3.79Å; F29-F50 HydrophobicContact CZ-CZ 3.79Å; W46-F50 WeakPolarHBondContact O-CD2 3.42Å; W46-F50 PolarHBondContact O-N 2.83Å; L48-F50 VanDerWaalsContact C-N 3.28Å; L48-F50 PolarHBondContact O-N 3.11Å; F50-P52 VanDerWaalsContact C-CD 3.41Å; F50-L53 HydrophobicContact CD1-CD2 4.22Å; F50-L53 WeakPolarHBondContact O-CB 3.33Å; F50-L53 PolarHBondContact O-N 3.36Å; F50-L53 VanDerWaalsContact O-N 3.09Å; F50-F54 HydrophobicContact CB-CD2 4.08Å; F50-F54 HydrophobicContact CB-CE2 3.65Å; F50-F54 HydrophobicContact CB-CZ 4.34Å; F50-F54 WeakPolarHBondContact O-CD2 3.28Å; F50-F54 PolarHBondContact O-N 3.47Å; F50-F54 VanDerWaalsContact O-N 3.13Å; F50-L101 HydrophobicContact CE1-CB 4.37Å; F50-L101 HydrophobicContact CZ-CB 4.22Å; F50-C102 WeakPolarHBondContact CB-SG 3.49Å; F50-C102 VanDerWaalsContact CD1-SG 3.5Å; F50-C102 HydrophobicContact CD2-CB 4.48Å; F50-C102 WeakPolarHBondContact CD2-SG 3.42Å; F50-C102 WeakPolarHBondContact CG-SG 3.26Å |
| 51 | V | 87.1 | Confident | 81.2 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -51.6 | -44.2 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 113.6 | W47 L48 L53 F54 A55 | W47-V51 WeakPolarHBondContact O-CG2 3.43Å; W47-V51 PolarHBondContact O-N 3Å; L48-V51 WeakPolarHBondContact O-CB 3.5Å; L48-V51 WeakPolarHBondContact O-CG2 3.47Å; L48-V51 PolarHBondContact O-N 2.89Å; V51-L53 VanDerWaalsContact C-N 3.29Å; V51-L53 PolarHBondContact O-N 3.12Å; V51-F54 PolarHBondContact O-N 2.98Å; V51-A55 WeakPolarHBondContact O-CB 3.47Å; V51-A55 PolarHBondContact O-N 2.94Å |
| 52 | P | 87.9 | Confident | 82.3 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 14% | 0.143 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -36.9 | 179.4 | -22.5 | 34 | 0 | 0 | 0 | 113.2 | A25 L28 L32 V49 F50 A56 | A25-P52 WeakPolarHBondContact CB-O 3.34Å; L28-P52 HydrophobicContact CB-CB 4.02Å; L28-P52 HydrophobicContact CB-CG 4.31Å; L32-P52 HydrophobicContact CD1-CG 4.31Å; L32-P52 HydrophobicContact CD2-CG 4.16Å; V49-P52 VanDerWaalsContact O-CD 3.26Å; V49-P52 WeakPolarHBondContact O-CD 3.42Å; F50-P52 VanDerWaalsContact C-CD 3.41Å; P52-A56 WeakPolarHBondContact O-CB 3.38Å; P52-A56 PolarHBondContact O-N 3.39Å; P52-A56 VanDerWaalsContact O-N 3.11Å |
| 53 | L | 85.5 | Confident | 83.2 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.2 | -47.6 | 177 | -99.9 | 64.4 | 0 | 0 | 0 | 111 | F29 F50 V51 A55 A56 D57 E98 | F29-L53 HydrophobicContact CB-CD1 3.23Å; F29-L53 HydrophobicContact CD1-CD1 4.26Å; F29-L53 HydrophobicContact CD2-CD1 3.88Å; F29-L53 HydrophobicContact CD2-CD2 4.34Å; F29-L53 HydrophobicContact CG-CD1 3.54Å; F29-L53 HydrophobicContact CG-CD2 4.37Å; F50-L53 HydrophobicContact CD1-CD2 4.22Å; F50-L53 WeakPolarHBondContact O-CB 3.33Å; F50-L53 PolarHBondContact O-N 3.36Å; F50-L53 VanDerWaalsContact O-N 3.09Å; V51-L53 VanDerWaalsContact C-N 3.29Å; V51-L53 PolarHBondContact O-N 3.12Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 3.15Å; L53-A56 WeakPolarHBondContact O-CB 3.29Å; L53-A56 PolarHBondContact O-N 3.35Å; L53-A56 VanDerWaalsContact O-N 3.15Å; L53-D57 PolarHBondContact O-N 3.44Å; L53-E98 WeakPolarHBondContact CB-OE2 2.89Å; L53-E98 HydrophobicContact CD2-CG 4.27Å; L53-E98 WeakPolarHBondContact CD2-OE1 3.29Å |
| 54 | F | 85.8 | Confident | 83.9 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 22% | 0.219 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -39 | 177.2 | -67.5 | -49.2 | 0 | 0 | 0 | 112.8 | F50 V51 A56 D57 G58 E98 V99 | F50-F54 HydrophobicContact CB-CD2 4.08Å; F50-F54 HydrophobicContact CB-CE2 3.65Å; F50-F54 HydrophobicContact CB-CZ 4.34Å; F50-F54 WeakPolarHBondContact O-CD2 3.28Å; F50-F54 PolarHBondContact O-N 3.47Å; F50-F54 VanDerWaalsContact O-N 3.13Å; V51-F54 PolarHBondContact O-N 2.98Å; F54-A56 VanDerWaalsContact C-N 3.3Å; F54-A56 PolarHBondContact O-N 3.05Å; F54-D57 PolarHBondContact O-N 2.88Å; F54-G58 PolarHBondContact O-N 2.75Å; F54-E98 HydrophobicContact CE1-CB 3.84Å; F54-E98 HydrophobicContact CZ-CB 4.3Å; F54-V99 HydrophobicContact CE1-CG2 3.73Å; F54-V99 HydrophobicContact CZ-CG2 3.86Å |
| 55 | A | 88.6 | Confident | 84.4 | Confident | 60 Ų | 60 | 50 Ų | 50 | 50% | 0.496 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V51 L53 G58 L59 | V51-A55 WeakPolarHBondContact O-CB 3.47Å; V51-A55 PolarHBondContact O-N 2.94Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 3.15Å; A55-G58 PolarHBondContact O-N 2.89Å; A55-L59 WeakPolarHBondContact O-CB 3.44Å; A55-L59 PolarHBondContact O-N 3.46Å |
| 56 | A | 87.8 | Confident | 84.6 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L21 A25 P52 L53 F54 L59 S60 | L21-A56 HydrophobicContact CD2-CB 3.71Å; L21-A56 WeakPolarHBondContact CD2-O 3.47Å; L21-A56 HydrophobicContact CG-CB 4.48Å; A25-A56 HydrophobicContact CB-CB 3.42Å; A25-A56 VanDerWaalsContact CB-CB 3.42Å; P52-A56 WeakPolarHBondContact O-CB 3.38Å; P52-A56 PolarHBondContact O-N 3.39Å; P52-A56 VanDerWaalsContact O-N 3.11Å; L53-A56 WeakPolarHBondContact O-CB 3.29Å; L53-A56 PolarHBondContact O-N 3.35Å; L53-A56 VanDerWaalsContact O-N 3.15Å; F54-A56 VanDerWaalsContact C-N 3.3Å; F54-A56 PolarHBondContact O-N 3.05Å; A56-L59 PolarHBondContact O-N 2.86Å; A56-S60 WeakPolarHBondContact O-CB 3.42Å; A56-S60 PolarHBondContact O-N 3.22Å; A56-S60 PolarHBondContact O-OG 3.3Å; A56-S60 VanDerWaalsContact O-OG 3.12Å |
| 57 | D | 85.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 174 | -75.1 | -22.7 | 0 | 0 | 0 | 112.3 | H22 L53 F54 L59 S60 T61 L91 K94 | H22-D57 IonicContact CE1-OD1 3.05Å; H22-D57 PolarHBondContact CE1-OD1 3.12Å; H22-D57 IonicContact ND1-OD1 3.64Å; L53-D57 PolarHBondContact O-N 3.44Å; F54-D57 PolarHBondContact O-N 2.88Å; D57-L59 PolarHBondContact O-N 3.48Å; D57-S60 PolarHBondContact O-N 2.96Å; D57-T61 WeakPolarHBondContact O-CB 3.37Å; D57-T61 PolarHBondContact O-N 2.85Å; D57-T61 PolarHBondContact O-OG1 3.31Å; D57-L91 HydrophobicContact CB-CD2 4.37Å; D57-L91 VanDerWaalsContact O-CD2 3.28Å; D57-L91 WeakPolarHBondContact O-CD2 3.37Å; D57-K94 WeakPolarHBondContact OD1-CE 3.48Å; D57-K94 IonicContact OD1-NZ 2.6Å; D57-K94 PolarHBondContact OD1-NZ 3.47Å; D57-K94 IonicContact OD2-NZ 2.7Å; D57-K94 PolarHBondContact OD2-NZ 2.99Å |
| 58 | G | 85.6 | Confident | 84.3 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F54 A55 T61 Y62 | F54-G58 PolarHBondContact O-N 2.75Å; A55-G58 PolarHBondContact O-N 2.89Å; G58-T61 PolarHBondContact O-N 2.85Å; G58-Y62 WeakPolarHBondContact O-CB 3.44Å; G58-Y62 PolarHBondContact O-N 3.47Å |
| 59 | L | 87.8 | Confident | 84.2 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | -180 | -147.3 | 79.6 | 0 | 0 | 0 | 112.3 | L21 A55 A56 D57 Y62 F63 | L21-L59 HydrophobicContact CD1-CD2 3.51Å; L21-L59 HydrophobicContact CD2-CB 3.88Å; L21-L59 HydrophobicContact CD2-CD2 4.1Å; L21-L59 HydrophobicContact CG-CD2 4.46Å; A55-L59 WeakPolarHBondContact O-CB 3.44Å; A55-L59 PolarHBondContact O-N 3.46Å; A56-L59 PolarHBondContact O-N 2.86Å; D57-L59 PolarHBondContact O-N 3.48Å; L59-Y62 PolarHBondContact O-N 3.22Å; L59-F63 PolarHBondContact O-N 3.24Å |
| 60 | S | 84.8 | Confident | 84 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 174 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | H22 A56 D57 Y62 F63 T64 | H22-S60 PolarHBondContact CE1-OG 3.32Å; H22-S60 PolarHBondContact NE2-OG 3.07Å; A56-S60 WeakPolarHBondContact O-CB 3.42Å; A56-S60 PolarHBondContact O-N 3.22Å; A56-S60 PolarHBondContact O-OG 3.3Å; A56-S60 VanDerWaalsContact O-OG 3.12Å; D57-S60 PolarHBondContact O-N 2.96Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 3.01Å; S60-F63 PolarHBondContact O-N 3.01Å; S60-T64 WeakPolarHBondContact O-CB 3.3Å; S60-T64 PolarHBondContact O-N 3.36Å; S60-T64 PolarHBondContact O-OG1 3.15Å |
| 61 | T | 85.3 | Confident | 83.3 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 32% | 0.319 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 173.7 | -51.3 | 0 | 0 | 0 | 0 | 111 | D57 G58 T64 A65 L88 L91 | D57-T61 WeakPolarHBondContact O-CB 3.37Å; D57-T61 PolarHBondContact O-N 2.85Å; D57-T61 PolarHBondContact O-OG1 3.31Å; G58-T61 PolarHBondContact O-N 2.85Å; T61-T64 PolarHBondContact O-N 2.85Å; T61-A65 WeakPolarHBondContact O-CB 3.43Å; T61-A65 PolarHBondContact O-N 3.18Å; T61-L88 HydrophobicContact CG2-CD1 4.34Å; T61-L91 WeakPolarHBondContact OG1-CD2 3.49Å |
| 62 | Y | 86.1 | Confident | 82.6 | Confident | 154 Ų | 154 | 59.1 Ų | 59.1 | 60% | 0.604 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | -179.6 | -179.1 | -102.1 | 0 | 0 | 0 | 111.9 | G58 L59 S60 A65 I66 | G58-Y62 WeakPolarHBondContact O-CB 3.44Å; G58-Y62 PolarHBondContact O-N 3.47Å; L59-Y62 PolarHBondContact O-N 3.22Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 3.01Å; Y62-A65 PolarHBondContact O-N 3.25Å; Y62-I66 HydrophobicContact CD1-CD1 3.82Å; Y62-I66 HydrophobicContact CE1-CD1 3.28Å; Y62-I66 HydrophobicContact CE1-CG1 4.38Å; Y62-I66 HydrophobicContact CE2-CD1 4.34Å; Y62-I66 WeakPolarHBondContact O-CG1 3.5Å; Y62-I66 PolarHBondContact O-N 3.44Å |
| 63 | F | 83.8 | Confident | 82 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 177.1 | -174.8 | -97 | 0 | 0 | 0 | 111.7 | A15 E18 L59 S60 A65 I66 V67 | A15-F63 HydrophobicContact CB-CE1 4.02Å; E18-F63 HydrophobicContact CG-CD1 4.12Å; E18-F63 WeakPolarHBondContact OE1-CD1 3.48Å; L59-F63 PolarHBondContact O-N 3.24Å; S60-F63 PolarHBondContact O-N 3.01Å; F63-A65 VanDerWaalsContact C-N 3.26Å; F63-A65 PolarHBondContact O-N 3.34Å; F63-I66 PolarHBondContact O-N 3.46Å; F63-I66 VanDerWaalsContact O-N 3.09Å; F63-V67 HydrophobicContact CD1-CG2 4.12Å; F63-V67 HydrophobicContact CE1-CG2 3.71Å; F63-V67 HydrophobicContact CZ-CG2 3.95Å; F63-V67 WeakPolarHBondContact O-CG2 3.27Å; F63-V67 PolarHBondContact O-N 3.4Å |
| 64 | T | 79.8 | Confident | 81.5 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58 | -39.6 | 176.4 | -70 | 0 | 0 | 0 | 0 | 111.5 | E18 S60 T61 V67 S68 L84 V87 | E18-T64 PolarHBondContact OE1-OG1 2.87Å; S60-T64 WeakPolarHBondContact O-CB 3.3Å; S60-T64 PolarHBondContact O-N 3.36Å; S60-T64 PolarHBondContact O-OG1 3.15Å; T61-T64 PolarHBondContact O-N 2.85Å; T64-V67 PolarHBondContact O-N 2.87Å; T64-S68 WeakPolarHBondContact O-CB 3.33Å; T64-S68 PolarHBondContact O-N 2.9Å; T64-L84 HydrophobicContact CG2-CD2 3.92Å; T64-L84 HydrophobicContact CG2-CG 4.37Å; T64-V87 HydrophobicContact CG2-CB 4.11Å; T64-V87 HydrophobicContact CG2-CG1 3.77Å |
| 65 | A | 82.9 | Confident | 80.5 | Confident | 39 Ų | 39 | 75.3 Ų | 75.3 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.9 | -31.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T61 Y62 F63 S68 I69 | T61-A65 WeakPolarHBondContact O-CB 3.43Å; T61-A65 PolarHBondContact O-N 3.18Å; Y62-A65 PolarHBondContact O-N 3.25Å; F63-A65 VanDerWaalsContact C-N 3.26Å; F63-A65 PolarHBondContact O-N 3.34Å; A65-S68 WeakPolarHBondContact O-CB 3.35Å; A65-S68 PolarHBondContact O-OG 3.34Å; A65-I69 WeakPolarHBondContact O-CD1 3.28Å; A65-I69 VanDerWaalsContact O-CG1 3.25Å; A65-I69 WeakPolarHBondContact O-CG1 2.99Å; A65-I69 PolarHBondContact O-N 3.31Å |
| 66 | I | 84.1 | Confident | 79.3 | Confident | 63 Ų | 63 | 78.7 Ų | 78.7 | 32% | 0.323 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72 | -46.6 | 174.3 | -70.4 | 169.8 | 0 | 0 | 0 | 111.1 | Y62 F63 S68 I69 R70 | Y62-I66 HydrophobicContact CD1-CD1 3.82Å; Y62-I66 HydrophobicContact CE1-CD1 3.28Å; Y62-I66 HydrophobicContact CE1-CG1 4.38Å; Y62-I66 HydrophobicContact CE2-CD1 4.34Å; Y62-I66 WeakPolarHBondContact O-CG1 3.5Å; Y62-I66 PolarHBondContact O-N 3.44Å; F63-I66 PolarHBondContact O-N 3.46Å; F63-I66 VanDerWaalsContact O-N 3.09Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 3.46Å; I66-I69 PolarHBondContact O-N 2.85Å; I66-I69 VanDerWaalsContact O-N 3.14Å; I66-R70 PolarHBondContact O-N 3.33Å; I66-R70 VanDerWaalsContact O-N 3.13Å |
| 67 | V | 77.3 | Confident | 78.2 | Confident | 64 Ų | 64 | 82.3 Ų | 82.3 | 39% | 0.388 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | -179.2 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | F63 T64 I69 R70 L71 | F63-V67 HydrophobicContact CD1-CG2 4.12Å; F63-V67 HydrophobicContact CE1-CG2 3.71Å; F63-V67 HydrophobicContact CZ-CG2 3.95Å; F63-V67 WeakPolarHBondContact O-CG2 3.27Å; F63-V67 PolarHBondContact O-N 3.4Å; T64-V67 PolarHBondContact O-N 2.87Å; V67-I69 PolarHBondContact O-N 3.22Å; V67-R70 PolarHBondContact O-N 3.09Å; V67-L71 PolarHBondContact O-N 2.7Å |
| 68 | S | 71.9 | Confident | 77.3 | Confident | 28 Ų | 28 | 93.4 Ų | 93.4 | 20% | 0.196 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -42 | -56.8 | 165.3 | 144.4 | 0 | 0 | 0 | 0 | 114.6 | T64 A65 I66 R70 L71 Y72 L84 | T64-S68 WeakPolarHBondContact O-CB 3.33Å; T64-S68 PolarHBondContact O-N 2.9Å; A65-S68 WeakPolarHBondContact O-CB 3.35Å; A65-S68 PolarHBondContact O-OG 3.34Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 3.46Å; S68-R70 VanDerWaalsContact C-N 3.33Å; S68-R70 PolarHBondContact O-N 3.34Å; S68-L71 PolarHBondContact O-N 2.79Å; S68-Y72 PolarHBondContact O-N 2.87Å; S68-L84 WeakPolarHBondContact OG-CD1 3.36Å |
| 69 | I | 80.4 | Confident | 76.4 | Confident | 102 Ų | 102 | 97.7 Ų | 97.7 | 52% | 0.523 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | -175.3 | -69.7 | 164.1 | 0 | 0 | 0 | 110 | A65 I66 V67 Y72 Q73 | A65-I69 WeakPolarHBondContact O-CD1 3.28Å; A65-I69 VanDerWaalsContact O-CG1 3.25Å; A65-I69 WeakPolarHBondContact O-CG1 2.99Å; A65-I69 PolarHBondContact O-N 3.31Å; I66-I69 PolarHBondContact O-N 2.85Å; I66-I69 VanDerWaalsContact O-N 3.14Å; V67-I69 PolarHBondContact O-N 3.22Å; I69-Y72 WeakPolarHBondContact O-CB 3.41Å; I69-Y72 PolarHBondContact O-N 3.45Å; I69-Q73 PolarHBondContact O-N 3.07Å |
| 70 | R | 80.1 | Confident | 75.3 | Confident | 176 Ų | 176 | 93.7 Ų | 93.7 | 66% | 0.664 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.1 | -45.7 | 176.2 | -70.7 | -165.6 | 177.4 | -135.4 | 2.1 | 112.2 | I66 V67 S68 Y72 Q73 E74 | I66-R70 PolarHBondContact O-N 3.33Å; I66-R70 VanDerWaalsContact O-N 3.13Å; V67-R70 PolarHBondContact O-N 3.09Å; S68-R70 VanDerWaalsContact C-N 3.33Å; S68-R70 PolarHBondContact O-N 3.34Å; R70-Y72 PolarHBondContact O-N 2.6Å; R70-Q73 WeakPolarHBondContact O-CB 3.26Å; R70-Q73 PolarHBondContact O-N 3.42Å; R70-E74 PolarHBondContact O-N 3.13Å |
| 71 | L | 71.3 | Confident | 74.7 | Confident | 52 Ų | 52 | 96.8 Ų | 96.8 | 27% | 0.272 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.7 | -29.4 | 178.5 | -127.2 | 70 | 0 | 0 | 0 | 112.5 | V67 S68 Q73 E74 A80 | V67-L71 PolarHBondContact O-N 2.7Å; S68-L71 PolarHBondContact O-N 2.79Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.31Å; L71-E74 PolarHBondContact O-N 2.91Å; L71-A80 HydrophobicContact CB-CB 3.8Å; L71-A80 HydrophobicContact CD2-CB 3.6Å; L71-A80 HydrophobicContact CG-CB 4.06Å |
| 72 | Y | 71.8 | Confident | 74 | Confident | 129 Ų | 129 | 100.1 Ų | 100.1 | 51% | 0.506 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -32.2 | 174.1 | -173.5 | -93.1 | 0 | 0 | 0 | 112.7 | S68 I69 R70 K77 | S68-Y72 PolarHBondContact O-N 2.87Å; I69-Y72 WeakPolarHBondContact O-CB 3.41Å; I69-Y72 PolarHBondContact O-N 3.45Å; R70-Y72 PolarHBondContact O-N 2.6Å; Y72-K77 HydrophobicContact CD2-CB 4.44Å; Y72-K77 HydrophobicContact CD2-CD 4.01Å; Y72-K77 HydrophobicContact CD2-CG 3.95Å; Y72-K77 HydrophobicContact CE2-CB 4.5Å; Y72-K77 HydrophobicContact CE2-CD 3.55Å; Y72-K77 HydrophobicContact CE2-CG 4Å; Y72-K77 WeakPolarHBondContact O-CE 3.32Å; Y72-K77 PolarHBondContact OH-NZ 3.41Å; Y72-K77 VanDerWaalsContact OH-NZ 3.15Å |
| 73 | Q | 76.6 | Confident | 73.3 | Confident | 150 Ų | 150 | 98.9 Ų | 98.9 | 70% | 0.701 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.9 | -26.1 | 178.1 | -66.7 | 177.2 | -8.5 | 0 | 0 | 112.5 | I69 R70 L71 N75 | I69-Q73 PolarHBondContact O-N 3.07Å; R70-Q73 WeakPolarHBondContact O-CB 3.26Å; R70-Q73 PolarHBondContact O-N 3.42Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.31Å; Q73-N75 VanDerWaalsContact C-N 3.32Å; Q73-N75 PolarHBondContact O-N 3.49Å |
| 74 | E | 74.6 | Confident | 72.7 | Confident | 146 Ų | 146 | 97 Ų | 97 | 68% | 0.682 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 15.6 | -178.5 | -67.7 | -176.7 | 167 | 0 | 0 | 114.7 | R70 L71 E76 | R70-E74 PolarHBondContact O-N 3.13Å; L71-E74 PolarHBondContact O-N 2.91Å; E74-E76 VanDerWaalsContact C-N 3.27Å; E74-E76 PolarHBondContact O-N 3.35Å; E74-E76 VanDerWaalsContact O-N 3.14Å |
| 75 | N | 63.6 | Low | 72.6 | Confident | 132 Ų | 132 | 100.9 Ų | 100.9 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -4.2 | 176 | -100.7 | -46.7 | 0 | 0 | 0 | 118.4 | Q73 K77 | Q73-N75 VanDerWaalsContact C-N 3.32Å; Q73-N75 PolarHBondContact O-N 3.49Å; N75-K77 PolarHBondContact O-N 2.91Å |
| 76 | E | 64.9 | Low | 72.3 | Confident | 132 Ų | 132 | 101.6 Ų | 101.6 | 62% | 0.617 | 48% | 0.476 | S | S | * | . | trans | -84.3 | 50.4 | 174.2 | -76.1 | -65.8 | 160.6 | 0 | 0 | 113.3 | E74 R78 A80 | E74-E76 VanDerWaalsContact C-N 3.27Å; E74-E76 PolarHBondContact O-N 3.35Å; E74-E76 VanDerWaalsContact O-N 3.14Å; E76-R78 PolarHBondContact O-N 2.88Å; E76-A80 VanDerWaalsContact O-CB 3.26Å; E76-A80 WeakPolarHBondContact O-CB 3.35Å; E76-A80 PolarHBondContact O-N 3.47Å | ||
| 77 | K | 64.4 | Low | 71.9 | Confident | 80 Ų | 80 | 98.8 Ų | 98.8 | 35% | 0.348 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | -163.6 | -62.4 | -175.1 | 176.1 | -173.9 | 0 | 114.7 | Y72 N75 V81 | Y72-K77 HydrophobicContact CD2-CB 4.44Å; Y72-K77 HydrophobicContact CD2-CD 4.01Å; Y72-K77 HydrophobicContact CD2-CG 3.95Å; Y72-K77 HydrophobicContact CE2-CB 4.5Å; Y72-K77 HydrophobicContact CE2-CD 3.55Å; Y72-K77 HydrophobicContact CE2-CG 4Å; Y72-K77 WeakPolarHBondContact O-CE 3.32Å; Y72-K77 PolarHBondContact OH-NZ 3.41Å; Y72-K77 VanDerWaalsContact OH-NZ 3.15Å; N75-K77 PolarHBondContact O-N 2.91Å; K77-V81 WeakPolarHBondContact O-CB 3.48Å; K77-V81 WeakPolarHBondContact O-CG2 3.37Å; K77-V81 PolarHBondContact O-N 3.13Å; K77-V81 VanDerWaalsContact O-N 3.13Å |
| 78 | R | 67.1 | Low | 72 | Confident | 234 Ų | 234 | 99.8 Ų | 99.8 | 88% | 0.883 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -72.8 | -45.8 | -173.4 | -77.5 | -175.4 | 173.9 | -177.3 | -0.9 | 112.4 | E76 L82 | E76-R78 PolarHBondContact O-N 2.88Å; R78-L82 WeakPolarHBondContact O-CB 3.47Å; R78-L82 PolarHBondContact O-N 3.04Å; R78-L82 VanDerWaalsContact O-N 3.1Å |
| 79 | L | 66.4 | Low | 72.3 | Confident | 130 Ų | 130 | 101.4 Ų | 101.4 | 68% | 0.681 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.8 | -36.7 | -177.7 | -159.3 | 132 | 0 | 0 | 0 | 110.9 | R83 | L79-R83 WeakPolarHBondContact O-CB 3.5Å; L79-R83 PolarHBondContact O-N 3.37Å; L79-R83 VanDerWaalsContact O-N 3.07Å |
| 80 | A | 65.3 | Low | 72.2 | Confident | 7 Ų | 7 | 97 Ų | 97 | 6% | 0.058 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -55.4 | -56.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L71 E76 L82 R83 L84 | L71-A80 HydrophobicContact CB-CB 3.8Å; L71-A80 HydrophobicContact CD2-CB 3.6Å; L71-A80 HydrophobicContact CG-CB 4.06Å; E76-A80 VanDerWaalsContact O-CB 3.26Å; E76-A80 WeakPolarHBondContact O-CB 3.35Å; E76-A80 PolarHBondContact O-N 3.47Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.02Å; A80-R83 PolarHBondContact O-N 3.08Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 3.05Å |
| 81 | V | 70.8 | Confident | 72.3 | Confident | 65 Ų | 65 | 88.9 Ų | 88.9 | 39% | 0.394 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | -176.4 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | K77 L84 L85 | K77-V81 WeakPolarHBondContact O-CB 3.48Å; K77-V81 WeakPolarHBondContact O-CG2 3.37Å; K77-V81 PolarHBondContact O-N 3.13Å; K77-V81 VanDerWaalsContact O-N 3.13Å; V81-L84 WeakPolarHBondContact O-CB 3.32Å; V81-L84 PolarHBondContact O-N 2.89Å; V81-L85 HydrophobicContact CG1-CD1 3.78Å; V81-L85 HydrophobicContact CG1-CG 4.21Å; V81-L85 WeakPolarHBondContact O-CB 3.49Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.5Å; V81-L85 PolarHBondContact O-N 3.09Å |
| 82 | L | 71.3 | Confident | 72.7 | Confident | 123 Ų | 123 | 89.3 Ų | 89.3 | 64% | 0.644 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.7 | -39.9 | 179.5 | -153.6 | 121.7 | 0 | 0 | 0 | 111.8 | R78 A80 W86 | R78-L82 WeakPolarHBondContact O-CB 3.47Å; R78-L82 PolarHBondContact O-N 3.04Å; R78-L82 VanDerWaalsContact O-N 3.1Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.02Å; L82-W86 WeakPolarHBondContact O-CB 3.46Å; L82-W86 PolarHBondContact O-N 3.36Å; L82-W86 VanDerWaalsContact O-N 3.07Å |
| 83 | R | 70.8 | Confident | 73 | Confident | 127 Ų | 127 | 84.7 Ų | 84.7 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 173.4 | -171.6 | -176.7 | -137.4 | -176.9 | 4.5 | 111.6 | L79 A80 W86 V87 | L79-R83 WeakPolarHBondContact O-CB 3.5Å; L79-R83 PolarHBondContact O-N 3.37Å; L79-R83 VanDerWaalsContact O-N 3.07Å; A80-R83 PolarHBondContact O-N 3.08Å; R83-W86 WeakPolarHBondContact O-CB 3.43Å; R83-W86 PolarHBondContact O-N 2.91Å; R83-V87 WeakPolarHBondContact O-CG2 3.28Å; R83-V87 PolarHBondContact O-N 2.99Å |
| 84 | L | 71.9 | Confident | 73.3 | Confident | 39 Ų | 39 | 80.4 Ų | 80.4 | 20% | 0.204 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.7 | -48.8 | -179.8 | -149.6 | -174.1 | 0 | 0 | 0 | 111.5 | T64 S68 A80 V81 W86 V87 L88 | T64-L84 HydrophobicContact CG2-CD2 3.92Å; T64-L84 HydrophobicContact CG2-CG 4.37Å; S68-L84 WeakPolarHBondContact OG-CD1 3.36Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 3.05Å; V81-L84 WeakPolarHBondContact O-CB 3.32Å; V81-L84 PolarHBondContact O-N 2.89Å; L84-W86 PolarHBondContact O-N 3.39Å; L84-V87 PolarHBondContact O-N 3.42Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.44Å; L84-L88 PolarHBondContact O-N 3.36Å |
| 85 | L | 77.3 | Confident | 73.6 | Confident | 101 Ų | 101 | 76.7 Ų | 76.7 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 176 | -75.9 | 170.5 | 0 | 0 | 0 | 110.9 | V81 L88 T89 | V81-L85 HydrophobicContact CG1-CD1 3.78Å; V81-L85 HydrophobicContact CG1-CG 4.21Å; V81-L85 WeakPolarHBondContact O-CB 3.49Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.5Å; V81-L85 PolarHBondContact O-N 3.09Å; L85-L88 PolarHBondContact O-N 3.2Å; L85-T89 VanDerWaalsContact O-CG2 3.3Å; L85-T89 WeakPolarHBondContact O-CG2 3.26Å; L85-T89 PolarHBondContact O-N 3.5Å; L85-T89 PolarHBondContact O-OG1 3.02Å; L85-T89 VanDerWaalsContact O-OG1 3.09Å |
| 86 | W | 77.1 | Confident | 74.5 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 20% | 0.201 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 175 | -177.8 | -83.3 | 0 | 0 | 0 | 112.9 | L82 R83 L84 L88 T89 V90 L129 R133 | L82-W86 WeakPolarHBondContact O-CB 3.46Å; L82-W86 PolarHBondContact O-N 3.36Å; L82-W86 VanDerWaalsContact O-N 3.07Å; R83-W86 WeakPolarHBondContact O-CB 3.43Å; R83-W86 PolarHBondContact O-N 2.91Å; L84-W86 PolarHBondContact O-N 3.39Å; W86-L88 VanDerWaalsContact C-N 3.29Å; W86-L88 PolarHBondContact O-N 2.93Å; W86-T89 PolarHBondContact O-N 2.94Å; W86-T89 PolarHBondContact O-OG1 3.41Å; W86-V90 WeakPolarHBondContact O-CG2 3.41Å; W86-V90 PolarHBondContact O-N 3.03Å; W86-L129 HydrophobicContact CH2-CB 3.72Å; W86-L129 HydrophobicContact CH2-CD2 3.72Å; W86-L129 HydrophobicContact CH2-CG 4.31Å; W86-L129 WeakPolarHBondContact CH2-O 3.18Å; W86-L129 HydrophobicContact CZ2-CB 4.16Å; W86-L129 HydrophobicContact CZ3-CD2 3.76Å; W86-R133 HydrophobicContact CH2-CB 4.09Å; W86-R133 HydrophobicContact CZ2-CB 3.97Å; W86-R133 HydrophobicContact CZ2-CG 4.41Å |
| 87 | V | 75.6 | Confident | 75.2 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | -180 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | F14 T64 R83 L84 V90 L91 | F14-V87 HydrophobicContact CD1-CG1 3.88Å; F14-V87 HydrophobicContact CE1-CG1 3.33Å; F14-V87 HydrophobicContact CZ-CG1 3.96Å; T64-V87 HydrophobicContact CG2-CB 4.11Å; T64-V87 HydrophobicContact CG2-CG1 3.77Å; R83-V87 WeakPolarHBondContact O-CG2 3.28Å; R83-V87 PolarHBondContact O-N 2.99Å; L84-V87 PolarHBondContact O-N 3.42Å; V87-V90 PolarHBondContact O-N 2.81Å; V87-L91 WeakPolarHBondContact O-CB 3.36Å; V87-L91 PolarHBondContact O-N 2.99Å |
| 88 | L | 79.8 | Confident | 75.9 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 45% | 0.45 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 177 | -163.2 | 92.8 | 0 | 0 | 0 | 112.3 | T61 L84 L85 W86 L91 S92 | T61-L88 HydrophobicContact CG2-CD1 4.34Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.44Å; L84-L88 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 3.2Å; W86-L88 VanDerWaalsContact C-N 3.29Å; W86-L88 PolarHBondContact O-N 2.93Å; L88-L91 PolarHBondContact O-N 3.35Å; L88-S92 VanDerWaalsContact O-CB 3.28Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.25Å; L88-S92 PolarHBondContact O-OG 3.43Å; L88-S92 VanDerWaalsContact O-OG 3.13Å |
| 89 | T | 78.3 | Confident | 76.5 | Confident | 61 Ų | 61 | 56 Ų | 56 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 177.4 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | L85 W86 S92 L93 | L85-T89 VanDerWaalsContact O-CG2 3.3Å; L85-T89 WeakPolarHBondContact O-CG2 3.26Å; L85-T89 PolarHBondContact O-N 3.5Å; L85-T89 PolarHBondContact O-OG1 3.02Å; L85-T89 VanDerWaalsContact O-OG1 3.09Å; W86-T89 PolarHBondContact O-N 2.94Å; W86-T89 PolarHBondContact O-OG1 3.41Å; T89-S92 WeakPolarHBondContact CA-OG 3.3Å; T89-S92 PolarHBondContact O-OG 3.23Å; T89-S92 VanDerWaalsContact O-OG 3.05Å; T89-L93 VanDerWaalsContact O-CB 3.26Å; T89-L93 WeakPolarHBondContact O-CB 3.45Å; T89-L93 PolarHBondContact O-N 3.05Å; T89-L93 VanDerWaalsContact O-N 3.08Å |
| 90 | V | 78.4 | Confident | 77 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 173.9 | 164.7 | 0 | 0 | 0 | 0 | 110.8 | F14 W86 V87 L93 K94 L126 | F14-V90 HydrophobicContact CE2-CG1 3.99Å; F14-V90 HydrophobicContact CZ-CG1 4.12Å; W86-V90 WeakPolarHBondContact O-CG2 3.41Å; W86-V90 PolarHBondContact O-N 3.03Å; V87-V90 PolarHBondContact O-N 2.81Å; V90-L93 PolarHBondContact O-N 3.3Å; V90-K94 PolarHBondContact O-N 2.9Å; V90-L126 HydrophobicContact CB-CD1 4.07Å; V90-L126 HydrophobicContact CG1-CD1 3.81Å; V90-L126 HydrophobicContact CG2-CD1 3.81Å |
| 91 | L | 80.5 | Confident | 77.5 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.6 | -38.8 | -177 | -147.2 | 92.2 | 0 | 0 | 0 | 112.2 | F14 D57 T61 V87 L88 L93 K94 L95 | F14-L91 HydrophobicContact CE1-CD1 3.55Å; F14-L91 HydrophobicContact CZ-CD1 3.41Å; F14-L91 VanDerWaalsContact CZ-CD1 3.41Å; D57-L91 HydrophobicContact CB-CD2 4.37Å; D57-L91 VanDerWaalsContact O-CD2 3.28Å; D57-L91 WeakPolarHBondContact O-CD2 3.37Å; T61-L91 WeakPolarHBondContact OG1-CD2 3.49Å; V87-L91 WeakPolarHBondContact O-CB 3.36Å; V87-L91 PolarHBondContact O-N 2.99Å; L88-L91 PolarHBondContact O-N 3.35Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.41Å; L91-K94 WeakPolarHBondContact O-CB 3.45Å; L91-K94 PolarHBondContact O-N 3.38Å; L91-L95 WeakPolarHBondContact O-CB 3.42Å; L91-L95 PolarHBondContact O-N 3.21Å |
| 92 | S | 79.4 | Confident | 77.8 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 176.2 | 67.9 | 0 | 0 | 0 | 0 | 111.7 | L88 T89 L95 V96 | L88-S92 VanDerWaalsContact O-CB 3.28Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.25Å; L88-S92 PolarHBondContact O-OG 3.43Å; L88-S92 VanDerWaalsContact O-OG 3.13Å; T89-S92 WeakPolarHBondContact CA-OG 3.3Å; T89-S92 PolarHBondContact O-OG 3.23Å; T89-S92 VanDerWaalsContact O-OG 3.05Å; S92-L95 PolarHBondContact O-N 3.32Å; S92-V96 WeakPolarHBondContact O-CB 3.3Å; S92-V96 VanDerWaalsContact O-CG2 3.27Å; S92-V96 WeakPolarHBondContact O-CG2 3.29Å; S92-V96 PolarHBondContact O-N 3.39Å |
| 93 | L | 79.8 | Confident | 77.9 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68 | -37.2 | 177.3 | -159.1 | 62.6 | 0 | 0 | 0 | 111.7 | T89 V90 L91 C97 P122 I125 L126 | T89-L93 VanDerWaalsContact O-CB 3.26Å; T89-L93 WeakPolarHBondContact O-CB 3.45Å; T89-L93 PolarHBondContact O-N 3.05Å; T89-L93 VanDerWaalsContact O-N 3.08Å; V90-L93 PolarHBondContact O-N 3.3Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.41Å; L93-C97 WeakPolarHBondContact O-CB 3.47Å; L93-C97 PolarHBondContact O-N 3.1Å; L93-C97 VanDerWaalsContact O-N 3.08Å; L93-P122 HydrophobicContact CD1-CB 3.55Å; L93-P122 VanDerWaalsContact CD2-O 3.26Å; L93-P122 WeakPolarHBondContact CD2-O 3.3Å; L93-P122 HydrophobicContact CG-CB 3.87Å; L93-P122 WeakPolarHBondContact CG-O 3.38Å; L93-I125 HydrophobicContact CD2-CB 4.1Å; L93-I125 HydrophobicContact CD2-CG2 3.89Å; L93-L126 HydrophobicContact CD2-CB 3.75Å; L93-L126 HydrophobicContact CD2-CD1 4.28Å |
| 94 | K | 82.1 | Confident | 78.1 | Confident | 60 Ų | 60 | 43.8 Ų | 43.8 | 26% | 0.261 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 169.9 | -179.9 | -179.1 | 176.2 | -72.3 | 0 | 111.2 | D57 V90 L91 V96 C97 E98 | D57-K94 WeakPolarHBondContact OD1-CE 3.48Å; D57-K94 IonicContact OD1-NZ 2.6Å; D57-K94 PolarHBondContact OD1-NZ 3.47Å; D57-K94 IonicContact OD2-NZ 2.7Å; D57-K94 PolarHBondContact OD2-NZ 2.99Å; V90-K94 PolarHBondContact O-N 2.9Å; L91-K94 WeakPolarHBondContact O-CB 3.45Å; L91-K94 PolarHBondContact O-N 3.38Å; K94-V96 VanDerWaalsContact C-N 3.35Å; K94-V96 PolarHBondContact O-N 3Å; K94-C97 VanDerWaalsContact O-CB 3.31Å; K94-C97 WeakPolarHBondContact O-CB 3.5Å; K94-C97 PolarHBondContact O-N 3.32Å; K94-C97 VanDerWaalsContact O-N 3.12Å; K94-E98 WeakPolarHBondContact CE-OE1 3.1Å; K94-E98 IonicContact NZ-OE1 2.79Å; K94-E98 PolarHBondContact NZ-OE1 3.45Å; K94-E98 WeakPolarHBondContact O-CG 3.36Å; K94-E98 PolarHBondContact O-N 3Å |
| 95 | L | 81.8 | Confident | 78 | Confident | 68 Ų | 68 | 44.2 Ų | 44.2 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 180 | -172.3 | 150.4 | 0 | 0 | 0 | 111.8 | L91 S92 C97 E98 V99 | L91-L95 WeakPolarHBondContact O-CB 3.42Å; L91-L95 PolarHBondContact O-N 3.21Å; S92-L95 PolarHBondContact O-N 3.32Å; L95-C97 VanDerWaalsContact C-N 3.32Å; L95-C97 PolarHBondContact O-N 3.36Å; L95-E98 PolarHBondContact O-N 3.47Å; L95-V99 HydrophobicContact CD2-CG2 3.95Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 2.95Å |
| 96 | V | 82.2 | Confident | 77.7 | Confident | 70 Ų | 70 | 41 Ų | 41 | 42% | 0.424 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 175.3 | 168.5 | 0 | 0 | 0 | 0 | 111 | S92 K94 V99 L100 | S92-V96 WeakPolarHBondContact O-CB 3.3Å; S92-V96 VanDerWaalsContact O-CG2 3.27Å; S92-V96 WeakPolarHBondContact O-CG2 3.29Å; S92-V96 PolarHBondContact O-N 3.39Å; K94-V96 VanDerWaalsContact C-N 3.35Å; K94-V96 PolarHBondContact O-N 3Å; V96-V99 PolarHBondContact O-N 3.2Å; V96-L100 HydrophobicContact CG1-CD1 3.65Å; V96-L100 HydrophobicContact CG1-CG 4.42Å; V96-L100 WeakPolarHBondContact O-CB 3.39Å; V96-L100 WeakPolarHBondContact O-CD1 3.32Å; V96-L100 VanDerWaalsContact O-CG 3.28Å; V96-L100 WeakPolarHBondContact O-CG 3.48Å; V96-L100 PolarHBondContact O-N 3.22Å |
| 97 | C | 79.1 | Confident | 77.2 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 174.8 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | L93 K94 L95 L100 L101 P122 | L93-C97 WeakPolarHBondContact O-CB 3.47Å; L93-C97 PolarHBondContact O-N 3.1Å; L93-C97 VanDerWaalsContact O-N 3.08Å; K94-C97 VanDerWaalsContact O-CB 3.31Å; K94-C97 WeakPolarHBondContact O-CB 3.5Å; K94-C97 PolarHBondContact O-N 3.32Å; K94-C97 VanDerWaalsContact O-N 3.12Å; L95-C97 VanDerWaalsContact C-N 3.32Å; L95-C97 PolarHBondContact O-N 3.36Å; C97-L100 PolarHBondContact O-N 3.44Å; C97-L101 WeakPolarHBondContact O-CB 3.35Å; C97-L101 VanDerWaalsContact O-CG 3.27Å; C97-L101 WeakPolarHBondContact O-CG 3.31Å; C97-L101 PolarHBondContact O-N 2.88Å; C97-P122 HydrophobicContact CB-CG 4.34Å |
| 98 | E | 79.9 | Confident | 76.4 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 177.6 | -70.4 | -177.3 | 179.8 | 0 | 0 | 113 | L53 F54 K94 L95 L101 C102 | L53-E98 WeakPolarHBondContact CB-OE2 2.89Å; L53-E98 HydrophobicContact CD2-CG 4.27Å; L53-E98 WeakPolarHBondContact CD2-OE1 3.29Å; F54-E98 HydrophobicContact CE1-CB 3.84Å; F54-E98 HydrophobicContact CZ-CB 4.3Å; K94-E98 WeakPolarHBondContact CE-OE1 3.1Å; K94-E98 IonicContact NZ-OE1 2.79Å; K94-E98 PolarHBondContact NZ-OE1 3.45Å; K94-E98 WeakPolarHBondContact O-CG 3.36Å; K94-E98 PolarHBondContact O-N 3Å; L95-E98 PolarHBondContact O-N 3.47Å; E98-L101 PolarHBondContact O-N 3.36Å; E98-C102 PolarHBondContact O-N 3.09Å; E98-C102 PolarHBondContact O-SG 2.84Å |
| 99 | V | 78.9 | Confident | 75.2 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 24% | 0.242 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | F54 L95 V96 L101 C102 Q103 | F54-V99 HydrophobicContact CE1-CG2 3.73Å; F54-V99 HydrophobicContact CZ-CG2 3.86Å; L95-V99 HydrophobicContact CD2-CG2 3.95Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 2.95Å; V96-V99 PolarHBondContact O-N 3.2Å; V99-L101 VanDerWaalsContact C-N 3.3Å; V99-L101 PolarHBondContact O-N 3.18Å; V99-C102 WeakPolarHBondContact O-CB 3.49Å; V99-C102 PolarHBondContact O-N 3.42Å; V99-Q103 WeakPolarHBondContact O-CG 3.49Å; V99-Q103 PolarHBondContact O-N 3.22Å |
| 100 | L | 76.8 | Confident | 73.9 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 175.3 | -77.6 | 160.8 | 0 | 0 | 0 | 111.5 | V96 C97 K104 I119 P122 | V96-L100 HydrophobicContact CG1-CD1 3.65Å; V96-L100 HydrophobicContact CG1-CG 4.42Å; V96-L100 WeakPolarHBondContact O-CB 3.39Å; V96-L100 WeakPolarHBondContact O-CD1 3.32Å; V96-L100 VanDerWaalsContact O-CG 3.28Å; V96-L100 WeakPolarHBondContact O-CG 3.48Å; V96-L100 PolarHBondContact O-N 3.22Å; C97-L100 PolarHBondContact O-N 3.44Å; L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 3.08Å; L100-I119 HydrophobicContact CB-CG1 4.44Å; L100-P122 HydrophobicContact CD1-CG 4.02Å |
| 101 | L | 75.6 | Confident | 72.6 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 32% | 0.319 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 173.6 | -75.7 | 167.1 | 0 | 0 | 0 | 111.4 | F50 C97 E98 V99 Q103 K104 L105 I119 | F50-L101 HydrophobicContact CE1-CB 4.37Å; F50-L101 HydrophobicContact CZ-CB 4.22Å; C97-L101 WeakPolarHBondContact O-CB 3.35Å; C97-L101 VanDerWaalsContact O-CG 3.27Å; C97-L101 WeakPolarHBondContact O-CG 3.31Å; C97-L101 PolarHBondContact O-N 2.88Å; E98-L101 PolarHBondContact O-N 3.36Å; V99-L101 VanDerWaalsContact C-N 3.3Å; V99-L101 PolarHBondContact O-N 3.18Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 3.26Å; L101-K104 PolarHBondContact O-N 3.16Å; L101-L105 WeakPolarHBondContact O-CD1 3.03Å; L101-L105 PolarHBondContact O-N 2.9Å; L101-I119 HydrophobicContact CD2-CG2 3.63Å; L101-I119 HydrophobicContact CG-CG2 3.87Å |
| 102 | C | 76.5 | Confident | 71 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.8 | -48.6 | 175.7 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | F50 E98 V99 L105 A106 | F50-C102 WeakPolarHBondContact CB-SG 3.49Å; F50-C102 VanDerWaalsContact CD1-SG 3.5Å; F50-C102 HydrophobicContact CD2-CB 4.48Å; F50-C102 WeakPolarHBondContact CD2-SG 3.42Å; F50-C102 WeakPolarHBondContact CG-SG 3.26Å; E98-C102 PolarHBondContact O-N 3.09Å; E98-C102 PolarHBondContact O-SG 2.84Å; V99-C102 WeakPolarHBondContact O-CB 3.49Å; V99-C102 PolarHBondContact O-N 3.42Å; C102-L105 PolarHBondContact O-N 3.34Å; C102-A106 VanDerWaalsContact O-CB 3.29Å; C102-A106 WeakPolarHBondContact O-CB 3.27Å; C102-A106 PolarHBondContact O-N 3.12Å |
| 103 | Q | 75.1 | Confident | 69.7 | Low | 78 Ų | 78 | 75.8 Ų | 75.8 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 179 | -75 | 179.4 | -10.6 | 0 | 0 | 110.8 | W47 V99 L101 L105 A106 E107 | W47-Q103 HydrophobicContact CZ2-CG 4.48Å; V99-Q103 WeakPolarHBondContact O-CG 3.49Å; V99-Q103 PolarHBondContact O-N 3.22Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 3.26Å; Q103-L105 PolarHBondContact O-N 3.44Å; Q103-A106 PolarHBondContact O-N 3.08Å; Q103-E107 VanDerWaalsContact O-CB 3.28Å; Q103-E107 WeakPolarHBondContact O-CB 3.27Å; Q103-E107 WeakPolarHBondContact O-CG 3.46Å; Q103-E107 PolarHBondContact O-N 3.41Å |
| 104 | K | 73.1 | Confident | 68.6 | Low | 30 Ų | 30 | 76.5 Ų | 76.5 | 13% | 0.13 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 178.5 | -170.2 | -99.2 | -167.6 | -178.3 | 0 | 112.6 | L100 L101 E107 Q108 L114 F116 I119 | L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 3.08Å; L101-K104 PolarHBondContact O-N 3.16Å; K104-E107 PolarHBondContact O-N 2.95Å; K104-Q108 WeakPolarHBondContact O-CB 3.38Å; K104-Q108 PolarHBondContact O-N 3.31Å; K104-L114 HydrophobicContact CB-CD2 4.29Å; K104-L114 HydrophobicContact CG-CB 4.1Å; K104-F116 VanDerWaalsContact NZ-CZ 3.27Å; K104-I119 HydrophobicContact CB-CD1 3.64Å; K104-I119 HydrophobicContact CD-CD1 4.19Å; K104-I119 HydrophobicContact CG-CD1 3.62Å |
| 105 | L | 70.6 | Confident | 67.7 | Low | 48 Ų | 48 | 84 Ų | 84 | 25% | 0.251 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 177 | -84.3 | 85.5 | 0 | 0 | 0 | 111.8 | W46 L101 C102 Q103 | W46-L105 HydrophobicContact CD2-CB 3.68Å; W46-L105 HydrophobicContact CD2-CD2 3.97Å; W46-L105 HydrophobicContact CD2-CG 4.45Å; W46-L105 HydrophobicContact CE3-CB 3.99Å; W46-L105 HydrophobicContact CE3-CD2 3.42Å; W46-L105 VanDerWaalsContact CE3-CD2 3.42Å; W46-L105 HydrophobicContact CE3-CG 4.34Å; W46-L105 HydrophobicContact CG-CB 3.96Å; W46-L105 HydrophobicContact CH2-CD2 3.66Å; W46-L105 HydrophobicContact CZ2-CD2 4.14Å; W46-L105 HydrophobicContact CZ3-CD2 3.27Å; W46-L105 HydrophobicContact CZ3-CG 4.46Å; W46-L105 PolarHBondContact NE1-O 2.95Å; W46-L105 VanDerWaalsContact NE1-O 3.13Å; L101-L105 WeakPolarHBondContact O-CD1 3.03Å; L101-L105 PolarHBondContact O-N 2.9Å; C102-L105 PolarHBondContact O-N 3.34Å; Q103-L105 PolarHBondContact O-N 3.44Å |
| 106 | A | 71.1 | Confident | 66.9 | Low | 32 Ų | 32 | 87.4 Ų | 87.4 | 26% | 0.264 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69 | -35.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | W46 C102 Q103 | W46-A106 HydrophobicContact CB-CB 4.4Å; C102-A106 VanDerWaalsContact O-CB 3.29Å; C102-A106 WeakPolarHBondContact O-CB 3.27Å; C102-A106 PolarHBondContact O-N 3.12Å; Q103-A106 PolarHBondContact O-N 3.08Å |
| 107 | E | 66.1 | Low | 66.1 | Low | 83 Ų | 83 | 86.7 Ų | 86.7 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -83.3 | -20.8 | 177.2 | -71.9 | -173.5 | 169.2 | 0 | 0 | 113 | Q103 K104 D109 R110 A111 L114 | Q103-E107 VanDerWaalsContact O-CB 3.28Å; Q103-E107 WeakPolarHBondContact O-CB 3.27Å; Q103-E107 WeakPolarHBondContact O-CG 3.46Å; Q103-E107 PolarHBondContact O-N 3.41Å; K104-E107 PolarHBondContact O-N 2.95Å; E107-D109 PolarHBondContact O-N 3.31Å; E107-R110 CarbonylContact O-C 3.38Å; E107-R110 WeakPolarHBondContact O-CA 3.37Å; E107-R110 PolarHBondContact O-N 3.25Å; E107-A111 PolarHBondContact O-N 2.88Å; E107-A111 VanDerWaalsContact O-N 3.11Å; E107-L114 WeakPolarHBondContact OE2-CD1 3.47Å |
| 108 | Q | 58.7 | Low | 65.6 | Low | 124 Ų | 124 | 90.8 Ų | 90.8 | 58% | 0.579 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.9 | -28.2 | 172.5 | -173 | 154.9 | -34.9 | 0 | 0 | 111.9 | K104 R110 | K104-Q108 WeakPolarHBondContact O-CB 3.38Å; K104-Q108 PolarHBondContact O-N 3.31Å; Q108-R110 PolarHBondContact O-N 3.39Å |
| 109 | D | 54.8 | Low | 65.1 | Low | 124 Ų | 124 | 90.7 Ų | 90.7 | 66% | 0.663 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.6 | 167.5 | -81.7 | -44.3 | 0 | 0 | 0 | 113.1 | W46 E107 | W46-D109 PolarHBondContact NE1-OD2 3.23Å; E107-D109 PolarHBondContact O-N 3.31Å |
| 110 | R | 52.3 | Low | 64.8 | Low | 223 Ų | 223 | 92.3 Ų | 92.3 | 84% | 0.842 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | 14 | -171.6 | -156.3 | 143.9 | -178.5 | 149.3 | -1.4 | 116 | E107 Q108 | E107-R110 CarbonylContact O-C 3.38Å; E107-R110 WeakPolarHBondContact O-CA 3.37Å; E107-R110 PolarHBondContact O-N 3.25Å; Q108-R110 PolarHBondContact O-N 3.39Å |
| 111 | A | 49.9 | Very low | 64.9 | Low | 92 Ų | 92 | 93.6 Ų | 93.6 | 76% | 0.76 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 69.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | E107 | E107-A111 PolarHBondContact O-N 2.88Å; E107-A111 VanDerWaalsContact O-N 3.11Å |
| 112 | R | 48.1 | Very low | 65 | Low | 212 Ų | 212 | 91.2 Ų | 91.2 | 80% | 0.8 | 46% | 0.458 | S | S | * | . | trans | -145.5 | 132.2 | 157 | -122.8 | 174.1 | -159.2 | 176.7 | 5.4 | 112.9 | L114 | R112-L114 PolarHBondContact O-N 2.9Š| ||
| 113 | D | 52 | Low | 65 | Low | 155 Ų | 155 | 96 Ų | 96 | 83% | 0.829 | 48% | 0.483 | S | S | * | . | trans | -71.3 | 85.1 | 179.8 | -67 | -51.4 | 0 | 0 | 0 | 111.5 | W115 | D113-W115 PolarHBondContact O-N 3.12Š| ||
| 114 | L | 56.8 | Low | 65.1 | Low | 46 Ų | 46 | 98 Ų | 98 | 24% | 0.241 | 49% | 0.491 | C | S | . | . | trans | -68.8 | 119.1 | 162.2 | -127.4 | 78.3 | 0 | 0 | 0 | 108.5 | K104 E107 R112 F116 | K104-L114 HydrophobicContact CB-CD2 4.29Å; K104-L114 HydrophobicContact CG-CB 4.1Å; E107-L114 WeakPolarHBondContact OE2-CD1 3.47Å; R112-L114 PolarHBondContact O-N 2.9Å; L114-F116 PolarHBondContact O-N 3.13Å | ||
| 115 | W | 62.7 | Low | 65.5 | Low | 217 Ų | 217 | 100.1 Ų | 100.1 | 82% | 0.822 | 50% | 0.503 | S | S | * | . | trans | -62 | 119.3 | -178.1 | -73.3 | 70.3 | 0 | 0 | 0 | 110.3 | D113 G117 L118 | D113-W115 PolarHBondContact O-N 3.12Å; W115-G117 PolarHBondContact O-N 3Å; W115-L118 PolarHBondContact O-N 3.34Å | ||
| 116 | F | 64.3 | Low | 65.9 | Low | 141 Ų | 141 | 99.2 Ų | 99.2 | 62% | 0.618 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -50 | -29.4 | 178.2 | -84.8 | -92.2 | 0 | 0 | 0 | 113.2 | K104 L114 L118 I119 V120 | K104-F116 VanDerWaalsContact NZ-CZ 3.27Å; L114-F116 PolarHBondContact O-N 3.13Å; F116-L118 VanDerWaalsContact C-N 3.32Å; F116-L118 PolarHBondContact O-N 3.34Å; F116-I119 PolarHBondContact O-N 3.38Å; F116-V120 WeakPolarHBondContact O-CG2 3.41Å; F116-V120 PolarHBondContact O-N 3Å |
| 117 | G | 65.5 | Low | 66.2 | Low | 55 Ų | 55 | 103.3 Ų | 103.3 | 57% | 0.567 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.2 | -33.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W115 S121 | W115-G117 PolarHBondContact O-N 3Å; G117-S121 WeakPolarHBondContact O-CB 3.29Å; G117-S121 PolarHBondContact O-N 2.98Å; G117-S121 VanDerWaalsContact O-N 3.08Å |
| 118 | L | 69 | Low | 66.9 | Low | 105 Ų | 105 | 104 Ų | 104 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.6 | -34.7 | 179.6 | -172.5 | 64.3 | 0 | 0 | 0 | 111.9 | W115 F116 P122 | W115-L118 PolarHBondContact O-N 3.34Å; F116-L118 VanDerWaalsContact C-N 3.32Å; F116-L118 PolarHBondContact O-N 3.34Å; L118-P122 VanDerWaalsContact O-CD 3.23Å; L118-P122 WeakPolarHBondContact O-CD 3.38Å |
| 119 | I | 69.6 | Low | 67.8 | Low | 11 Ų | 11 | 100.5 Ų | 100.5 | 6% | 0.056 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -72.9 | -38.9 | 178.8 | -58.7 | 172.5 | 0 | 0 | 0 | 110.6 | L100 L101 K104 F116 P122 | L100-I119 HydrophobicContact CB-CG1 4.44Å; L101-I119 HydrophobicContact CD2-CG2 3.63Å; L101-I119 HydrophobicContact CG-CG2 3.87Å; K104-I119 HydrophobicContact CB-CD1 3.64Å; K104-I119 HydrophobicContact CD-CD1 4.19Å; K104-I119 HydrophobicContact CG-CD1 3.62Å; F116-I119 PolarHBondContact O-N 3.38Å; I119-P122 WeakPolarHBondContact O-CD 3.23Å; I119-P122 WeakPolarHBondContact O-CG 3.35Å |
| 120 | V | 72.4 | Confident | 68.6 | Low | 74 Ų | 74 | 96.6 Ų | 96.6 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -78.5 | -21.9 | -178.6 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | F116 L123 F124 | F116-V120 WeakPolarHBondContact O-CG2 3.41Å; F116-V120 PolarHBondContact O-N 3Å; V120-L123 WeakPolarHBondContact O-CB 3.45Å; V120-L123 PolarHBondContact O-N 3.47Å; V120-L123 VanDerWaalsContact O-N 3.13Å; V120-F124 PolarHBondContact O-N 2.99Å |
| 121 | S | 79.1 | Confident | 69.9 | Low | 54 Ų | 54 | 92.3 Ų | 92.3 | 38% | 0.378 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -52.4 | -53.3 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 114.2 | G117 L123 F124 I125 | G117-S121 WeakPolarHBondContact O-CB 3.29Å; G117-S121 PolarHBondContact O-N 2.98Å; G117-S121 VanDerWaalsContact O-N 3.08Å; S121-L123 VanDerWaalsContact C-N 3.3Å; S121-L123 PolarHBondContact O-N 3.24Å; S121-F124 WeakPolarHBondContact O-CB 3.38Å; S121-F124 PolarHBondContact O-N 3.32Å; S121-F124 VanDerWaalsContact O-N 3.12Å; S121-I125 WeakPolarHBondContact O-CG1 3.39Å; S121-I125 PolarHBondContact O-N 2.9Å |
| 122 | P | 77.4 | Confident | 71.3 | Confident | 11 Ų | 11 | 93.1 Ų | 93.1 | 7% | 0.071 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.1 | -34.5 | 176.7 | 17 | -27 | 0 | 0 | 0 | 113.3 | L93 C97 L100 L118 I119 F124 L126 | L93-P122 HydrophobicContact CD1-CB 3.55Å; L93-P122 VanDerWaalsContact CD2-O 3.26Å; L93-P122 WeakPolarHBondContact CD2-O 3.3Å; L93-P122 HydrophobicContact CG-CB 3.87Å; L93-P122 WeakPolarHBondContact CG-O 3.38Å; C97-P122 HydrophobicContact CB-CG 4.34Å; L100-P122 HydrophobicContact CD1-CG 4.02Å; L118-P122 VanDerWaalsContact O-CD 3.23Å; L118-P122 WeakPolarHBondContact O-CD 3.38Å; I119-P122 WeakPolarHBondContact O-CD 3.23Å; I119-P122 WeakPolarHBondContact O-CG 3.35Å; P122-F124 VanDerWaalsContact C-N 3.35Å; P122-L126 WeakPolarHBondContact O-CB 3.36Å; P122-L126 PolarHBondContact O-N 3.13Å |
| 123 | L | 76 | Confident | 72.3 | Confident | 101 Ų | 101 | 85.3 Ų | 85.3 | 53% | 0.529 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 174.3 | -169.6 | 80 | 0 | 0 | 0 | 111.6 | V120 S121 L126 L127 | V120-L123 WeakPolarHBondContact O-CB 3.45Å; V120-L123 PolarHBondContact O-N 3.47Å; V120-L123 VanDerWaalsContact O-N 3.13Å; S121-L123 VanDerWaalsContact C-N 3.3Å; S121-L123 PolarHBondContact O-N 3.24Å; L123-L126 WeakPolarHBondContact O-CB 3.37Å; L123-L126 PolarHBondContact O-N 3.45Å; L123-L127 PolarHBondContact O-N 3Å |
| 124 | F | 78.4 | Confident | 73.1 | Confident | 120 Ų | 120 | 78.8 Ų | 78.8 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 179.7 | -167.6 | -108.1 | 0 | 0 | 0 | 111.9 | V120 S121 P122 L126 L127 Q128 | V120-F124 PolarHBondContact O-N 2.99Å; S121-F124 WeakPolarHBondContact O-CB 3.38Å; S121-F124 PolarHBondContact O-N 3.32Å; S121-F124 VanDerWaalsContact O-N 3.12Å; P122-F124 VanDerWaalsContact C-N 3.35Å; F124-L126 VanDerWaalsContact C-N 3.3Å; F124-L126 PolarHBondContact O-N 2.86Å; F124-L127 PolarHBondContact O-N 3.25Å; F124-Q128 HydrophobicContact CE1-CG 4.36Å; F124-Q128 WeakPolarHBondContact O-CG 3.38Å; F124-Q128 PolarHBondContact O-N 3.42Å |
| 125 | I | 81.3 | Confident | 73.8 | Confident | 74 Ų | 74 | 81 Ų | 81 | 38% | 0.379 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 174 | -65.4 | 165.4 | 0 | 0 | 0 | 110.3 | L93 S121 L127 Q128 L129 | L93-I125 HydrophobicContact CD2-CB 4.1Å; L93-I125 HydrophobicContact CD2-CG2 3.89Å; S121-I125 WeakPolarHBondContact O-CG1 3.39Å; S121-I125 PolarHBondContact O-N 2.9Å; I125-L127 VanDerWaalsContact C-N 3.34Å; I125-L127 PolarHBondContact O-N 2.89Å; I125-Q128 PolarHBondContact O-N 2.88Å; I125-L129 HydrophobicContact CG2-CD1 4.03Å; I125-L129 WeakPolarHBondContact O-CB 3.5Å; I125-L129 WeakPolarHBondContact O-CG 3.28Å; I125-L129 PolarHBondContact O-N 3.44Å |
| 126 | L | 77.9 | Confident | 73.9 | Confident | 30 Ų | 30 | 80.4 Ų | 80.4 | 16% | 0.157 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 176.2 | -175.1 | 64.6 | 0 | 0 | 0 | 111.5 | V90 L93 P122 L123 F124 L129 L130 | V90-L126 HydrophobicContact CB-CD1 4.07Å; V90-L126 HydrophobicContact CG1-CD1 3.81Å; V90-L126 HydrophobicContact CG2-CD1 3.81Å; L93-L126 HydrophobicContact CD2-CB 3.75Å; L93-L126 HydrophobicContact CD2-CD1 4.28Å; P122-L126 WeakPolarHBondContact O-CB 3.36Å; P122-L126 PolarHBondContact O-N 3.13Å; L123-L126 WeakPolarHBondContact O-CB 3.37Å; L123-L126 PolarHBondContact O-N 3.45Å; F124-L126 VanDerWaalsContact C-N 3.3Å; F124-L126 PolarHBondContact O-N 2.86Å; L126-L129 PolarHBondContact O-N 3.38Å; L126-L130 HydrophobicContact CG-CD1 4.26Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 2.96Å |
| 127 | L | 76.9 | Confident | 73.7 | Confident | 117 Ų | 117 | 76.6 Ų | 76.6 | 61% | 0.613 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.4 | -40.3 | -179.4 | -158.8 | 74.2 | 0 | 0 | 0 | 111.8 | L123 F124 I125 L130 M131 | L123-L127 PolarHBondContact O-N 3Å; F124-L127 PolarHBondContact O-N 3.25Å; I125-L127 VanDerWaalsContact C-N 3.34Å; I125-L127 PolarHBondContact O-N 2.89Å; L127-L130 PolarHBondContact O-N 3.24Å; L127-M131 PolarHBondContact O-N 2.91Å |
| 128 | Q | 81.1 | Confident | 72.8 | Confident | 97 Ų | 97 | 83.7 Ų | 83.7 | 45% | 0.453 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 174.9 | -74.4 | 178.6 | -20.4 | 0 | 0 | 112.3 | F124 I125 L130 M131 I132 | F124-Q128 HydrophobicContact CE1-CG 4.36Å; F124-Q128 WeakPolarHBondContact O-CG 3.38Å; F124-Q128 PolarHBondContact O-N 3.42Å; I125-Q128 PolarHBondContact O-N 2.88Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-L130 PolarHBondContact O-N 3.37Å; Q128-M131 PolarHBondContact O-N 3.37Å; Q128-I132 WeakPolarHBondContact O-CG1 3.4Å; Q128-I132 PolarHBondContact O-N 3.32Å |
| 129 | L | 77.8 | Confident | 72.9 | Confident | 52 Ų | 52 | 82.6 Ų | 82.6 | 27% | 0.272 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 174.5 | -82.5 | 164.4 | 0 | 0 | 0 | 111.4 | W86 I125 L126 M131 I132 R133 | W86-L129 HydrophobicContact CH2-CB 3.72Å; W86-L129 HydrophobicContact CH2-CD2 3.72Å; W86-L129 HydrophobicContact CH2-CG 4.31Å; W86-L129 WeakPolarHBondContact CH2-O 3.18Å; W86-L129 HydrophobicContact CZ2-CB 4.16Å; W86-L129 HydrophobicContact CZ3-CD2 3.76Å; I125-L129 HydrophobicContact CG2-CD1 4.03Å; I125-L129 WeakPolarHBondContact O-CB 3.5Å; I125-L129 WeakPolarHBondContact O-CG 3.28Å; I125-L129 PolarHBondContact O-N 3.44Å; L126-L129 PolarHBondContact O-N 3.38Å; L129-M131 VanDerWaalsContact C-N 3.34Å; L129-M131 PolarHBondContact O-N 2.84Å; L129-I132 PolarHBondContact O-N 3.08Å; L129-R133 PolarHBondContact O-N 3.38Å; L129-R133 VanDerWaalsContact O-N 3.09Å |
| 130 | L | 73.1 | Confident | 73.1 | Confident | 42 Ų | 42 | 86.4 Ų | 86.4 | 22% | 0.22 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.3 | -73.2 | 166.7 | 0 | 0 | 0 | 112.1 | L12 L126 L127 Q128 R133 A134 | L12-L130 HydrophobicContact CD1-CD1 4.45Å; L12-L130 HydrophobicContact CD1-CD2 3.69Å; L126-L130 HydrophobicContact CG-CD1 4.26Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 2.96Å; L127-L130 PolarHBondContact O-N 3.24Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-L130 PolarHBondContact O-N 3.37Å; L130-R133 PolarHBondContact O-N 2.92Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.34Å |
| 131 | M | 78 | Confident | 73.2 | Confident | 132 Ų | 132 | 87.1 Ų | 87.1 | 65% | 0.65 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 176.4 | -177.9 | -175.4 | 152.5 | 0 | 0 | 112.2 | L127 Q128 L129 R133 A134 C135 | L127-M131 PolarHBondContact O-N 2.91Å; Q128-M131 PolarHBondContact O-N 3.37Å; L129-M131 VanDerWaalsContact C-N 3.34Å; L129-M131 PolarHBondContact O-N 2.84Å; M131-R133 VanDerWaalsContact C-N 3.3Å; M131-R133 PolarHBondContact O-N 3.47Å; M131-A134 VanDerWaalsContact O-CB 3.3Å; M131-A134 WeakPolarHBondContact O-CB 3.45Å; M131-A134 PolarHBondContact O-N 3.18Å; M131-C135 PolarHBondContact O-N 3.5Å; M131-C135 PolarHBondContact O-SG 3.17Å; M131-C135 VanDerWaalsContact O-SG 3.38Å |
| 132 | I | 79.1 | Confident | 72.8 | Confident | 110 Ų | 110 | 89 Ų | 89 | 56% | 0.564 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.2 | -39.9 | 177.7 | -67.1 | 164.9 | 0 | 0 | 0 | 110.7 | Q128 L129 C135 R136 | Q128-I132 WeakPolarHBondContact O-CG1 3.4Å; Q128-I132 PolarHBondContact O-N 3.32Å; L129-I132 PolarHBondContact O-N 3.08Å; I132-C135 PolarHBondContact O-N 2.97Å; I132-R136 PolarHBondContact O-N 2.96Å |
| 133 | R | 70.3 | Confident | 72.5 | Confident | 48 Ų | 48 | 93.9 Ų | 93.9 | 18% | 0.181 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -68.4 | -39.3 | 178 | -169.7 | 173.4 | 174.9 | -170.5 | -13.2 | 111.8 | Q10 W11 W86 L129 L130 M131 C135 R136 V137 | Q10-R133 PolarHBondContact O-NH2 2.79Å; W11-R133 WeakPolarHBondContact O-CD 3.34Å; W11-R133 PolarHBondContact O-NE 3.42Å; W11-R133 PolarHBondContact O-NH1 3.09Å; W86-R133 HydrophobicContact CH2-CB 4.09Å; W86-R133 HydrophobicContact CZ2-CB 3.97Å; W86-R133 HydrophobicContact CZ2-CG 4.41Å; L129-R133 PolarHBondContact O-N 3.38Å; L129-R133 VanDerWaalsContact O-N 3.09Å; L130-R133 PolarHBondContact O-N 2.92Å; M131-R133 VanDerWaalsContact C-N 3.3Å; M131-R133 PolarHBondContact O-N 3.47Å; R133-C135 VanDerWaalsContact C-N 3.26Å; R133-C135 PolarHBondContact O-N 2.84Å; R133-R136 PolarHBondContact O-N 3.11Å; R133-V137 HydrophobicContact CG-CG2 4.14Å; R133-V137 VanDerWaalsContact O-CG2 3.28Å; R133-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 PolarHBondContact O-N 3.32Å |
| 134 | A | 68.9 | Low | 72.3 | Confident | 17 Ų | 17 | 93.4 Ų | 93.4 | 14% | 0.14 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -52.6 | -44.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | W11 L130 M131 R136 | W11-A134 HydrophobicContact CE3-CB 3.78Å; W11-A134 HydrophobicContact CH2-CB 3.3Å; W11-A134 HydrophobicContact CZ2-CB 4.15Å; W11-A134 HydrophobicContact CZ3-CB 3.08Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.34Å; M131-A134 VanDerWaalsContact O-CB 3.3Å; M131-A134 WeakPolarHBondContact O-CB 3.45Å; M131-A134 PolarHBondContact O-N 3.18Å; A134-R136 VanDerWaalsContact C-N 3.3Å; A134-R136 PolarHBondContact O-N 2.92Å |
| 135 | C | 70.1 | Confident | 71.9 | Confident | 94 Ų | 94 | 91.5 Ų | 91.5 | 64% | 0.635 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.6 | -19.9 | 179.9 | -62.1 | 0 | 0 | 0 | 0 | 114.2 | M131 I132 R133 | M131-C135 PolarHBondContact O-N 3.5Å; M131-C135 PolarHBondContact O-SG 3.17Å; M131-C135 VanDerWaalsContact O-SG 3.38Å; I132-C135 PolarHBondContact O-N 2.97Å; R133-C135 VanDerWaalsContact C-N 3.26Å; R133-C135 PolarHBondContact O-N 2.84Å |
| 136 | R | 66.4 | Low | 71.1 | Confident | 204 Ų | 204 | 92.8 Ų | 92.8 | 77% | 0.77 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -92.6 | -13.9 | 179.4 | -80.2 | -116.9 | -67.2 | -178.3 | -0.9 | 114.3 | I132 R133 A134 | I132-R136 PolarHBondContact O-N 2.96Å; R133-R136 PolarHBondContact O-N 3.11Å; A134-R136 VanDerWaalsContact C-N 3.3Å; A134-R136 PolarHBondContact O-N 2.92Å |
| 137 | V | 60.5 | Low | 70.6 | Confident | 60 Ų | 60 | 98.1 Ų | 98.1 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | trans | -97.3 | -4.3 | -173.6 | 174.4 | 0 | 0 | 0 | 0 | 112.5 | R133 | R133-V137 HydrophobicContact CG-CG2 4.14Å; R133-V137 VanDerWaalsContact O-CG2 3.28Å; R133-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 PolarHBondContact O-N 3.32Å | ||
| 138 | N | 44.8 | Very low | 70 | Confident | 204 Ų | 204 | 96.4 Ų | 96.4 | 100% | 1.091 | 49% | 0.486 | S | S | * | . | trans | -86.9 | 0 | 165.1 | -93 | 7.8 | 0 | 0 | 0 | 111.3 |
Retrieved 138 of 138 residues in 204.4 ms
(Link to these results)