| 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 | 47.5 | Very low | 63.9 | Low | 203 Ų | 203 | 114 Ų | 114 | 100% | 1 | 60% | 0.595 | S | S | * | * | 0 | 124.9 | 0 | -154.2 | 86.9 | 170.7 | 0 | 0 | 107.6 | K3 | M1-K3 PolarHBondContact O-N 2.94Š| |||
| 2 | N | 58.9 | Low | 65.3 | Low | 63 Ų | 63 | 112.7 Ų | 112.7 | 34% | 0.337 | 59% | 0.588 | S | S | . | * | trans | -72.2 | 116.7 | -179.5 | -170.7 | -18.3 | 0 | 0 | 0 | 109.4 | Q4 L5 V18 | N2-Q4 PolarHBondContact O-N 2.94Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.43Å; N2-Q4 PolarHBondContact OD1-N 3.06Å; N2-Q4 VanDerWaalsContact OD1-N 3.14Å; N2-L5 HydrophobicContact CB-CD1 4.37Å; N2-L5 HydrophobicContact CB-CG 4.45Å; N2-L5 PolarHBondContact O-N 3.32Å; N2-V18 WeakPolarHBondContact ND2-CG1 3.38Å | ||
| 3 | K | 66.1 | Low | 66.4 | Low | 168 Ų | 168 | 113.9 Ų | 113.9 | 73% | 0.73 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -57.9 | -29.5 | -177.7 | -70.2 | -173.9 | 177.1 | -177.7 | 0 | 112.4 | M1 L5 Q6 E7 | M1-K3 PolarHBondContact O-N 2.94Å; K3-L5 PolarHBondContact O-N 2.99Å; K3-Q6 PolarHBondContact O-N 2.87Å; K3-E7 PolarHBondContact O-N 3.44Å |
| 4 | Q | 63.7 | Low | 67.7 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -63.8 | -23.7 | 178.8 | -65.4 | 178.8 | -18.4 | 0 | 0 | 113.2 | N2 Q6 L10 V18 | N2-Q4 PolarHBondContact O-N 2.94Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.43Å; N2-Q4 PolarHBondContact OD1-N 3.06Å; N2-Q4 VanDerWaalsContact OD1-N 3.14Å; Q4-Q6 VanDerWaalsContact C-N 3.32Å; Q4-L10 VanDerWaalsContact O-CD1 3.31Å; Q4-L10 WeakPolarHBondContact O-CD1 3.35Å; Q4-V18 HydrophobicContact CB-CG2 4.04Å |
| 5 | L | 58.3 | Low | 68.8 | Low | 83 Ų | 83 | 106.8 Ų | 106.8 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -80.9 | -12.2 | 175.5 | -66.6 | 175.1 | 0 | 0 | 0 | 113.1 | N2 K3 L10 V18 | N2-L5 HydrophobicContact CB-CD1 4.37Å; N2-L5 HydrophobicContact CB-CG 4.45Å; N2-L5 PolarHBondContact O-N 3.32Å; K3-L5 PolarHBondContact O-N 2.99Å; L5-L10 HydrophobicContact CD2-CD1 4.3Å; L5-L10 HydrophobicContact CD2-CD2 3.63Å; L5-V18 HydrophobicContact CD2-CG1 4.04Å; L5-V18 HydrophobicContact CG-CG1 4.21Å |
| 6 | Q | 63.6 | Low | 69.9 | Low | 130 Ų | 130 | 102.2 Ų | 102.2 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -16.4 | -175.6 | -64.3 | -176.3 | -54.5 | 0 | 0 | 113.4 | K3 Q4 G8 | K3-Q6 PolarHBondContact O-N 2.87Å; Q4-Q6 VanDerWaalsContact C-N 3.32Å; Q6-G8 PolarHBondContact O-N 2.96Å |
| 7 | E | 64.6 | Low | 70.9 | Confident | 152 Ų | 152 | 104.8 Ų | 104.8 | 71% | 0.71 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -77.6 | 92 | 179.5 | -85.9 | -179.9 | 168.3 | 0 | 0 | 111.9 | K3 D9 | K3-E7 PolarHBondContact O-N 3.44Å; E7-D9 VanDerWaalsContact C-N 3.27Å; E7-D9 PolarHBondContact O-N 3.37Å |
| 8 | G | 61.5 | Low | 72 | Confident | 74 Ų | 74 | 99.6 Ų | 99.6 | 76% | 0.763 | 51% | 0.508 | S | S | * | . | S | Bend | trans | 61.1 | -47.4 | 140.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | Q6 | Q6-G8 PolarHBondContact O-N 2.96Š|
| 9 | D | 69.1 | Low | 72.9 | Confident | 130 Ų | 130 | 94.9 Ų | 94.9 | 70% | 0.695 | 48% | 0.484 | S | S | * | . | trans | -141.9 | 62.4 | -171.6 | -70.1 | -48.1 | 0 | 0 | 0 | 109.9 | E7 N11 K14 | E7-D9 VanDerWaalsContact C-N 3.27Å; E7-D9 PolarHBondContact O-N 3.37Å; D9-N11 PolarHBondContact O-N 3.39Å; D9-K14 WeakPolarHBondContact O-CD 3.24Å; D9-K14 PolarHBondContact O-NZ 3.42Å | ||
| 10 | L | 68.3 | Low | 73.8 | Confident | 68 Ų | 68 | 91.8 Ų | 91.8 | 36% | 0.356 | 47% | 0.471 | S | S | . | . | trans | -78.3 | 99.9 | 176.4 | -154.8 | 80 | 0 | 0 | 0 | 109.3 | Q4 L5 K14 T15 | Q4-L10 VanDerWaalsContact O-CD1 3.31Å; Q4-L10 WeakPolarHBondContact O-CD1 3.35Å; L5-L10 HydrophobicContact CD2-CD1 4.3Å; L5-L10 HydrophobicContact CD2-CD2 3.63Å; L10-K14 HydrophobicContact CD1-CB 4.07Å; L10-T15 HydrophobicContact CD2-CG2 4.43Å; L10-T15 WeakPolarHBondContact CD2-OG1 3.23Å; L10-T15 VanDerWaalsContact CG-OG1 3.31Å; L10-T15 WeakPolarHBondContact CG-OG1 3.48Å | ||
| 11 | N | 81.3 | Confident | 74.6 | Confident | 78 Ų | 78 | 89.3 Ų | 89.3 | 42% | 0.417 | 46% | 0.464 | S | S | . | . | trans | -89.5 | 164.8 | 169.6 | 67.5 | 36.7 | 0 | 0 | 0 | 110.6 | D9 I13 K14 T15 | D9-N11 PolarHBondContact O-N 3.39Å; N11-I13 PolarHBondContact O-N 2.91Å; N11-I13 VanDerWaalsContact O-N 3.12Å; N11-I13 WeakPolarHBondContact OD1-CB 3.39Å; N11-I13 PolarHBondContact OD1-N 2.77Å; N11-I13 VanDerWaalsContact OD1-N 3.14Å; N11-K14 PolarHBondContact O-N 2.99Å; N11-K14 PolarHBondContact OD1-N 3.3Å; N11-T15 PolarHBondContact O-N 3.2Å; N11-T15 PolarHBondContact O-OG1 3.35Å; N11-T15 VanDerWaalsContact O-OG1 3.12Å | ||
| 12 | L | 81 | Confident | 76.8 | Confident | 98 Ų | 98 | 83.1 Ų | 83.1 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -55.9 | -32.5 | -177.8 | -174.2 | 60.7 | 0 | 0 | 0 | 113.1 | K16 M82 | L12-K16 WeakPolarHBondContact O-CB 3.48Å; L12-K16 PolarHBondContact O-N 3.29Å; L12-M82 HydrophobicContact CD1-CE 4.05Å; L12-M82 HydrophobicContact CD2-CE 3.68Å; L12-M82 HydrophobicContact CD2-SD 3.54Å; L12-M82 VanDerWaalsContact CD2-SD 3.54Å; L12-M82 HydrophobicContact CG-CE 3.62Å; L12-M82 HydrophobicContact CG-SD 4.2Å |
| 13 | I | 79.7 | Confident | 78.5 | Confident | 129 Ų | 129 | 80.7 Ų | 80.7 | 66% | 0.662 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.2 | -46.6 | 177.8 | -59.3 | 173.2 | 0 | 0 | 0 | 110.8 | N11 K16 F17 | N11-I13 PolarHBondContact O-N 2.91Å; N11-I13 VanDerWaalsContact O-N 3.12Å; N11-I13 WeakPolarHBondContact OD1-CB 3.39Å; N11-I13 PolarHBondContact OD1-N 2.77Å; N11-I13 VanDerWaalsContact OD1-N 3.14Å; I13-K16 WeakPolarHBondContact O-CB 3.38Å; I13-K16 PolarHBondContact O-N 3.45Å; I13-F17 PolarHBondContact O-N 2.96Å |
| 14 | K | 83.7 | Confident | 79.8 | Confident | 96 Ų | 96 | 76 Ų | 76 | 42% | 0.417 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 176.1 | -71 | -178.7 | -175 | 172.3 | 0 | 110.7 | D9 L10 N11 K16 F17 V18 | D9-K14 WeakPolarHBondContact O-CD 3.24Å; D9-K14 PolarHBondContact O-NZ 3.42Å; L10-K14 HydrophobicContact CD1-CB 4.07Å; N11-K14 PolarHBondContact O-N 2.99Å; N11-K14 PolarHBondContact OD1-N 3.3Å; K14-K16 VanDerWaalsContact C-N 3.29Å; K14-K16 PolarHBondContact O-N 3.36Å; K14-F17 PolarHBondContact O-N 2.75Å; K14-F17 VanDerWaalsContact O-N 3.15Å; K14-V18 VanDerWaalsContact O-CG2 3.28Å; K14-V18 WeakPolarHBondContact O-CG2 3.43Å; K14-V18 PolarHBondContact O-N 3.41Å |
| 15 | T | 84.7 | Confident | 81.2 | Confident | 25 Ų | 25 | 73.2 Ų | 73.2 | 15% | 0.153 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -55 | -47.6 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | L10 N11 F17 V18 I19 I79 | L10-T15 HydrophobicContact CD2-CG2 4.43Å; L10-T15 WeakPolarHBondContact CD2-OG1 3.23Å; L10-T15 VanDerWaalsContact CG-OG1 3.31Å; L10-T15 WeakPolarHBondContact CG-OG1 3.48Å; N11-T15 PolarHBondContact O-N 3.2Å; N11-T15 PolarHBondContact O-OG1 3.35Å; N11-T15 VanDerWaalsContact O-OG1 3.12Å; T15-F17 PolarHBondContact O-N 3.12Å; T15-V18 PolarHBondContact O-N 3.2Å; T15-I19 HydrophobicContact CG2-CD1 3.66Å; T15-I19 HydrophobicContact CG2-CG1 4.46Å; T15-I19 WeakPolarHBondContact O-CB 3.32Å; T15-I19 VanDerWaalsContact O-CG1 3.29Å; T15-I19 WeakPolarHBondContact O-CG1 3.37Å; T15-I19 PolarHBondContact O-N 2.89Å; T15-I79 HydrophobicContact CG2-CD1 3.96Å |
| 16 | K | 86.3 | Confident | 82.9 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 14% | 0.143 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -53.6 | -54.1 | 175 | 174.9 | -176.9 | 155.7 | 163.9 | 0 | 111.3 | L12 I13 K14 V18 I19 S20 I79 M82 I83 | L12-K16 WeakPolarHBondContact O-CB 3.48Å; L12-K16 PolarHBondContact O-N 3.29Å; I13-K16 WeakPolarHBondContact O-CB 3.38Å; I13-K16 PolarHBondContact O-N 3.45Å; K14-K16 VanDerWaalsContact C-N 3.29Å; K14-K16 PolarHBondContact O-N 3.36Å; K16-V18 PolarHBondContact O-N 3.2Å; K16-I19 PolarHBondContact O-N 3.49Å; K16-S20 WeakPolarHBondContact O-CB 3.39Å; K16-S20 PolarHBondContact O-N 3.46Å; K16-S20 PolarHBondContact O-OG 3.02Å; K16-I79 HydrophobicContact CB-CG2 4.16Å; K16-M82 HydrophobicContact CD-CE 4.12Å; K16-I83 HydrophobicContact CD-CB 4.43Å; K16-I83 HydrophobicContact CD-CD1 3.97Å; K16-I83 HydrophobicContact CD-CG1 3.61Å; K16-I83 HydrophobicContact CG-CD1 3.33Å; K16-I83 HydrophobicContact CG-CG1 3.49Å; K16-I83 VanDerWaalsContact CG-CG1 3.49Å |
| 17 | F | 87.5 | Confident | 84.3 | Confident | 147 Ų | 147 | 65.8 Ų | 65.8 | 65% | 0.645 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.1 | -45.6 | -178.3 | -176.8 | -95.9 | 0 | 0 | 0 | 112.4 | I13 K14 T15 S20 A21 | I13-F17 PolarHBondContact O-N 2.96Å; K14-F17 PolarHBondContact O-N 2.75Å; K14-F17 VanDerWaalsContact O-N 3.15Å; T15-F17 PolarHBondContact O-N 3.12Å; F17-S20 PolarHBondContact O-N 3.41Å; F17-A21 VanDerWaalsContact O-CB 3.3Å; F17-A21 WeakPolarHBondContact O-CB 3.47Å; F17-A21 PolarHBondContact O-N 3.12Å |
| 18 | V | 89.7 | Confident | 85.6 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | -179.2 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | N2 Q4 L5 K14 T15 K16 F22 | N2-V18 WeakPolarHBondContact ND2-CG1 3.38Å; Q4-V18 HydrophobicContact CB-CG2 4.04Å; L5-V18 HydrophobicContact CD2-CG1 4.04Å; L5-V18 HydrophobicContact CG-CG1 4.21Å; K14-V18 VanDerWaalsContact O-CG2 3.28Å; K14-V18 WeakPolarHBondContact O-CG2 3.43Å; K14-V18 PolarHBondContact O-N 3.41Å; T15-V18 PolarHBondContact O-N 3.2Å; K16-V18 PolarHBondContact O-N 3.2Å; V18-F22 WeakPolarHBondContact O-CB 3.46Å; V18-F22 PolarHBondContact O-N 3.02Å |
| 19 | I | 90.4 | Very high | 87 | Confident | 11 Ų | 11 | 60 Ų | 60 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 178.5 | -68.9 | 168 | 0 | 0 | 0 | 110.3 | T15 K16 A21 F22 M23 F76 I79 L80 | T15-I19 HydrophobicContact CG2-CD1 3.66Å; T15-I19 HydrophobicContact CG2-CG1 4.46Å; T15-I19 WeakPolarHBondContact O-CB 3.32Å; T15-I19 VanDerWaalsContact O-CG1 3.29Å; T15-I19 WeakPolarHBondContact O-CG1 3.37Å; T15-I19 PolarHBondContact O-N 2.89Å; K16-I19 PolarHBondContact O-N 3.49Å; I19-A21 PolarHBondContact O-N 2.92Å; I19-F22 PolarHBondContact O-N 3.16Å; I19-M23 HydrophobicContact CG2-CG 4.29Å; I19-M23 WeakPolarHBondContact O-CB 3.34Å; I19-M23 VanDerWaalsContact O-CG 3.28Å; I19-M23 WeakPolarHBondContact O-CG 3.4Å; I19-M23 PolarHBondContact O-N 3.29Å; I19-F76 HydrophobicContact CD1-CB 4.31Å; I19-F76 HydrophobicContact CD1-CD1 3.53Å; I19-F76 HydrophobicContact CD1-CD2 4.44Å; I19-F76 HydrophobicContact CD1-CE1 3.85Å; I19-F76 HydrophobicContact CD1-CG 3.84Å; I19-F76 HydrophobicContact CD1-CZ 4.44Å; I19-F76 HydrophobicContact CG2-CB 4.01Å; I19-F76 HydrophobicContact CG2-CD2 4.14Å; I19-F76 HydrophobicContact CG2-CG 4.09Å; I19-I79 HydrophobicContact CD1-CD1 3.67Å; I19-I79 HydrophobicContact CD1-CG2 4.23Å; I19-L80 HydrophobicContact CG2-CD2 4.2Å |
| 20 | S | 89.7 | Confident | 88.1 | Confident | 32 Ų | 32 | 57 Ų | 57 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 177.6 | -69 | 0 | 0 | 0 | 0 | 112.3 | K16 F17 F22 M23 S24 I83 | K16-S20 WeakPolarHBondContact O-CB 3.39Å; K16-S20 PolarHBondContact O-N 3.46Å; K16-S20 PolarHBondContact O-OG 3.02Å; F17-S20 PolarHBondContact O-N 3.41Å; S20-F22 VanDerWaalsContact C-N 3.31Å; S20-F22 PolarHBondContact O-N 3.19Å; S20-M23 PolarHBondContact O-N 2.93Å; S20-S24 PolarHBondContact O-N 3.36Å; S20-S24 PolarHBondContact O-OG 2.92Å; S20-S24 VanDerWaalsContact O-OG 3.11Å; S20-I83 WeakPolarHBondContact OG-CD1 3.5Å |
| 21 | A | 91.8 | Very high | 89.3 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F17 I19 S25 | F17-A21 VanDerWaalsContact O-CB 3.3Å; F17-A21 WeakPolarHBondContact O-CB 3.47Å; F17-A21 PolarHBondContact O-N 3.12Å; I19-A21 PolarHBondContact O-N 2.92Å; A21-S25 WeakPolarHBondContact O-CB 3.24Å; A21-S25 PolarHBondContact O-N 3.45Å; A21-S25 PolarHBondContact O-OG 3.45Å |
| 22 | F | 93.6 | Very high | 89.7 | Confident | 74 Ų | 74 | 58.1 Ų | 58.1 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.5 | -175.1 | -107.1 | 0 | 0 | 0 | 112 | V18 I19 S20 S24 S25 L26 F72 | V18-F22 WeakPolarHBondContact O-CB 3.46Å; V18-F22 PolarHBondContact O-N 3.02Å; I19-F22 PolarHBondContact O-N 3.16Å; S20-F22 VanDerWaalsContact C-N 3.31Å; S20-F22 PolarHBondContact O-N 3.19Å; F22-S24 PolarHBondContact O-N 3.3Å; F22-S25 WeakPolarHBondContact O-CA 3.35Å; F22-S25 VanDerWaalsContact O-CB 3.29Å; F22-S25 WeakPolarHBondContact O-CB 3.43Å; F22-S25 PolarHBondContact O-N 3.06Å; F22-S25 VanDerWaalsContact O-N 3.08Å; F22-L26 HydrophobicContact CD1-CD1 4.3Å; F22-L26 HydrophobicContact CD1-CG 4.44Å; F22-L26 HydrophobicContact CE1-CD1 3.89Å; F22-L26 HydrophobicContact CE1-CD2 4.19Å; F22-L26 HydrophobicContact CE1-CG 4.1Å; F22-L26 HydrophobicContact CZ-CD2 3.97Å; F22-L26 HydrophobicContact CZ-CG 4.34Å; F22-L26 PolarHBondContact O-N 2.85Å; F22-F72 AromaticContact CD1-CD1 3.87Å; F22-F72 HydrophobicContact CD1-CD1 3.87Å; F22-F72 AromaticContact CD1-CE1 3.66Å; F22-F72 HydrophobicContact CD1-CE1 3.66Å; F22-F72 HydrophobicContact CD1-CZ 4.41Å; F22-F72 AromaticContact CE1-CD1 3.92Å; F22-F72 HydrophobicContact CE1-CD1 3.92Å; F22-F72 AromaticContact CE1-CE1 3.47Å; F22-F72 HydrophobicContact CE1-CE1 3.47Å; F22-F72 VanDerWaalsContact CE1-CE1 3.47Å; F22-F72 HydrophobicContact CE1-CE2 4.44Å; F22-F72 AromaticContact CE1-CZ 3.77Å; F22-F72 HydrophobicContact CE1-CZ 3.77Å |
| 23 | M | 93.7 | Very high | 89.9 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 5% | 0.054 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 176.7 | -75.2 | -65.5 | -77.6 | 0 | 0 | 112.4 | I19 S20 S25 L26 L27 H69 F72 T73 L80 | I19-M23 HydrophobicContact CG2-CG 4.29Å; I19-M23 WeakPolarHBondContact O-CB 3.34Å; I19-M23 VanDerWaalsContact O-CG 3.28Å; I19-M23 WeakPolarHBondContact O-CG 3.4Å; I19-M23 PolarHBondContact O-N 3.29Å; S20-M23 PolarHBondContact O-N 2.93Å; M23-S25 VanDerWaalsContact C-N 3.26Å; M23-S25 PolarHBondContact O-N 3.43Å; M23-L26 PolarHBondContact O-N 3.27Å; M23-L26 HydrophobicContact SD-CD1 4.18Å; M23-L27 PolarHBondContact O-N 2.82Å; M23-H69 WeakPolarHBondContact CE-CD2 3.45Å; M23-H69 VanDerWaalsContact CE-NE2 3.32Å; M23-H69 WeakPolarHBondContact CE-NE2 3.17Å; M23-H69 WeakPolarHBondContact CE-O 3.33Å; M23-F72 HydrophobicContact CE-CB 4.19Å; M23-F72 HydrophobicContact SD-CB 3.29Å; M23-F72 WeakPolarHBondContact SD-CB 3.48Å; M23-F72 HydrophobicContact SD-CD1 4.4Å; M23-F72 HydrophobicContact SD-CG 4.19Å; M23-T73 WeakPolarHBondContact CE-OG1 3.44Å; M23-L80 HydrophobicContact CE-CD1 4.47Å |
| 24 | S | 93 | Very high | 90.2 | Very high | 71 Ų | 71 | 51 Ų | 51 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -37.2 | 173.4 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | S20 F22 L27 S28 | S20-S24 PolarHBondContact O-N 3.36Å; S20-S24 PolarHBondContact O-OG 2.92Å; S20-S24 VanDerWaalsContact O-OG 3.11Å; F22-S24 PolarHBondContact O-N 3.3Å; S24-L27 PolarHBondContact O-N 2.79Å; S24-S28 PolarHBondContact O-N 2.91Å; S24-S28 PolarHBondContact O-OG 3.27Å |
| 25 | S | 92.8 | Very high | 90.4 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | A21 F22 M23 L27 S28 F29 | A21-S25 WeakPolarHBondContact O-CB 3.24Å; A21-S25 PolarHBondContact O-N 3.45Å; A21-S25 PolarHBondContact O-OG 3.45Å; F22-S25 WeakPolarHBondContact O-CA 3.35Å; F22-S25 VanDerWaalsContact O-CB 3.29Å; F22-S25 WeakPolarHBondContact O-CB 3.43Å; F22-S25 PolarHBondContact O-N 3.06Å; F22-S25 VanDerWaalsContact O-N 3.08Å; M23-S25 VanDerWaalsContact C-N 3.26Å; M23-S25 PolarHBondContact O-N 3.43Å; S25-L27 VanDerWaalsContact C-N 3.33Å; S25-L27 PolarHBondContact O-N 2.9Å; S25-S28 PolarHBondContact O-N 2.98Å; S25-F29 WeakPolarHBondContact O-CB 3.26Å; S25-F29 WeakPolarHBondContact O-CD1 3.24Å; S25-F29 WeakPolarHBondContact O-CD2 3.36Å; S25-F29 WeakPolarHBondContact O-CG 3.45Å; S25-F29 PolarHBondContact O-N 2.95Å |
| 26 | L | 94.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.3 | -43 | 175.6 | -65.9 | 179.4 | 0 | 0 | 0 | 112.1 | F22 M23 F29 K30 L65 L68 H69 | F22-L26 HydrophobicContact CD1-CD1 4.3Å; F22-L26 HydrophobicContact CD1-CG 4.44Å; F22-L26 HydrophobicContact CE1-CD1 3.89Å; F22-L26 HydrophobicContact CE1-CD2 4.19Å; F22-L26 HydrophobicContact CE1-CG 4.1Å; F22-L26 HydrophobicContact CZ-CD2 3.97Å; F22-L26 HydrophobicContact CZ-CG 4.34Å; F22-L26 PolarHBondContact O-N 2.85Å; M23-L26 PolarHBondContact O-N 3.27Å; M23-L26 HydrophobicContact SD-CD1 4.18Å; L26-F29 PolarHBondContact O-N 3.45Å; L26-K30 PolarHBondContact O-N 2.95Å; L26-L65 HydrophobicContact CD2-CD2 4.06Å; L26-L68 HydrophobicContact CD1-CD2 4.24Å; L26-L68 HydrophobicContact CD1-CG 4.04Å; L26-L68 HydrophobicContact CD2-CD2 3.77Å; L26-L68 HydrophobicContact CD2-CG 4.46Å; L26-H69 HydrophobicContact CB-CB 4.46Å; L26-H69 HydrophobicContact CD1-CB 4.19Å |
| 27 | L | 93.8 | Very high | 90.1 | Very high | 52 Ų | 52 | 58.7 Ų | 58.7 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 176 | -66.2 | 177.5 | 0 | 0 | 0 | 111.9 | M23 S24 S25 K30 R31 | M23-L27 PolarHBondContact O-N 2.82Å; S24-L27 PolarHBondContact O-N 2.79Å; S25-L27 VanDerWaalsContact C-N 3.33Å; S25-L27 PolarHBondContact O-N 2.9Å; L27-K30 PolarHBondContact O-N 3.25Å; L27-R31 WeakPolarHBondContact O-CG 3.5Å; L27-R31 PolarHBondContact O-N 3.39Å |
| 28 | S | 91.8 | Very high | 89.6 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 174.9 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | S24 S25 K30 R31 N32 | S24-S28 PolarHBondContact O-N 2.91Å; S24-S28 PolarHBondContact O-OG 3.27Å; S25-S28 PolarHBondContact O-N 2.98Å; S28-K30 VanDerWaalsContact C-N 3.31Å; S28-K30 PolarHBondContact O-N 3.37Å; S28-R31 PolarHBondContact O-N 2.84Å; S28-N32 WeakPolarHBondContact O-CB 3.45Å; S28-N32 PolarHBondContact O-N 3.46Å; S28-N32 PolarHBondContact O-OD1 2.88Å; S28-N32 VanDerWaalsContact O-OD1 3.09Å |
| 29 | F | 90.8 | Very high | 89 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 175.8 | -63 | -16.6 | 0 | 0 | 0 | 110.7 | S25 L26 R31 N32 F33 F41 L65 | S25-F29 WeakPolarHBondContact O-CB 3.26Å; S25-F29 WeakPolarHBondContact O-CD1 3.24Å; S25-F29 WeakPolarHBondContact O-CD2 3.36Å; S25-F29 WeakPolarHBondContact O-CG 3.45Å; S25-F29 PolarHBondContact O-N 2.95Å; L26-F29 PolarHBondContact O-N 3.45Å; F29-R31 VanDerWaalsContact C-N 3.33Å; F29-R31 PolarHBondContact O-N 3.1Å; F29-N32 PolarHBondContact O-N 2.92Å; F29-N32 VanDerWaalsContact O-N 3.16Å; F29-F33 VanDerWaalsContact O-CD2 3.3Å; F29-F33 WeakPolarHBondContact O-CD2 3.38Å; F29-F33 PolarHBondContact O-N 2.96Å; F29-F41 HydrophobicContact CB-CZ 4.3Å; F29-F41 HydrophobicContact CD1-CZ 4.05Å; F29-F41 HydrophobicContact CD2-CZ 4.44Å; F29-F41 HydrophobicContact CE1-CZ 4.44Å; F29-F41 HydrophobicContact CG-CZ 4.02Å; F29-L65 HydrophobicContact CB-CD1 3.73Å; F29-L65 HydrophobicContact CB-CD2 4.41Å |
| 30 | K | 92.7 | Very high | 88.4 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 29% | 0.287 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59 | -45.1 | 178.2 | 179.5 | 176.8 | 168.7 | 172.5 | 0 | 111.7 | L26 L27 S28 F33 A34 C62 L65 Q66 | L26-K30 PolarHBondContact O-N 2.95Å; L27-K30 PolarHBondContact O-N 3.25Å; S28-K30 VanDerWaalsContact C-N 3.31Å; S28-K30 PolarHBondContact O-N 3.37Å; K30-F33 PolarHBondContact O-N 3.4Å; K30-A34 WeakPolarHBondContact O-CB 3.3Å; K30-A34 PolarHBondContact O-N 2.98Å; K30-C62 HydrophobicContact CG-CB 4.12Å; K30-L65 VanDerWaalsContact CA-CD1 3.48Å; K30-L65 HydrophobicContact CB-CB 4.24Å; K30-L65 HydrophobicContact CB-CD1 3.88Å; K30-L65 VanDerWaalsContact N-CD1 3.28Å; K30-Q66 HydrophobicContact CD-CB 4.35Å |
| 31 | R | 92.6 | Very high | 87.9 | Confident | 139 Ų | 139 | 61.7 Ų | 61.7 | 53% | 0.525 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 176.9 | -68.1 | 178.4 | -164.6 | 130.2 | -0.5 | 112 | L27 S28 F29 A34 R35 | L27-R31 WeakPolarHBondContact O-CG 3.5Å; L27-R31 PolarHBondContact O-N 3.39Å; S28-R31 PolarHBondContact O-N 2.84Å; F29-R31 VanDerWaalsContact C-N 3.33Å; F29-R31 PolarHBondContact O-N 3.1Å; R31-A34 PolarHBondContact O-N 2.92Å; R31-R35 WeakPolarHBondContact O-CG 3.33Å; R31-R35 PolarHBondContact O-N 3.48Å; R31-R35 VanDerWaalsContact O-N 3.08Å |
| 32 | N | 89 | Confident | 87.2 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 17% | 0.166 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 179.5 | -68.5 | 5.7 | 0 | 0 | 0 | 110.9 | S28 F29 R35 G36 E37 Q40 | S28-N32 WeakPolarHBondContact O-CB 3.45Å; S28-N32 PolarHBondContact O-N 3.46Å; S28-N32 PolarHBondContact O-OD1 2.88Å; S28-N32 VanDerWaalsContact O-OD1 3.09Å; F29-N32 PolarHBondContact O-N 2.92Å; F29-N32 VanDerWaalsContact O-N 3.16Å; N32-R35 CarbonylContact O-C 3.53Å; N32-R35 PolarHBondContact O-N 3.19Å; N32-R35 VanDerWaalsContact O-N 3.13Å; N32-G36 PolarHBondContact O-N 3.49Å; N32-E37 HydrophobicContact CB-CB 4.22Å; N32-E37 WeakPolarHBondContact CB-O 3.37Å; N32-E37 PolarHBondContact O-N 3.31Å; N32-Q40 PolarHBondContact ND2-NE2 3.26Å; N32-Q40 PolarHBondContact ND2-OE1 3.26Å |
| 33 | F | 86.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 173.8 | -91.1 | -90.1 | 0 | 0 | 0 | 112 | F29 K30 R35 G36 L38 F41 L44 V58 Y61 L65 | F29-F33 VanDerWaalsContact O-CD2 3.3Å; F29-F33 WeakPolarHBondContact O-CD2 3.38Å; F29-F33 PolarHBondContact O-N 2.96Å; K30-F33 PolarHBondContact O-N 3.4Å; F33-R35 PolarHBondContact O-N 2.92Å; F33-R35 VanDerWaalsContact O-N 3.12Å; F33-G36 PolarHBondContact O-N 3.12Å; F33-L38 HydrophobicContact CD1-CD2 3.54Å; F33-L38 HydrophobicContact CD2-CD2 4.01Å; F33-L38 HydrophobicContact CE1-CD2 3.6Å; F33-L38 HydrophobicContact CE2-CD2 4.07Å; F33-L38 HydrophobicContact CG-CD2 3.76Å; F33-L38 HydrophobicContact CZ-CD2 3.88Å; F33-F41 AromaticContact CD2-CE2 3.79Å; F33-F41 HydrophobicContact CD2-CE2 3.79Å; F33-F41 HydrophobicContact CD2-CZ 4.27Å; F33-F41 AromaticContact CE2-CD2 3.74Å; F33-F41 HydrophobicContact CE2-CD2 3.74Å; F33-F41 HydrophobicContact CE2-CE1 4.29Å; F33-F41 AromaticContact CE2-CE2 3.09Å; F33-F41 HydrophobicContact CE2-CE2 3.09Å; F33-F41 AromaticContact CE2-CZ 3.43Å; F33-F41 HydrophobicContact CE2-CZ 3.43Å; F33-F41 VanDerWaalsContact CE2-CZ 3.43Å; F33-F41 AromaticContact CZ-CD2 3.97Å; F33-F41 HydrophobicContact CZ-CD2 3.97Å; F33-F41 AromaticContact CZ-CE2 3.79Å; F33-F41 HydrophobicContact CZ-CE2 3.79Å; F33-F41 HydrophobicContact CZ-CZ 4.25Å; F33-L44 HydrophobicContact CE1-CD1 3.45Å; F33-L44 VanDerWaalsContact CE1-CD1 3.45Å; F33-L44 HydrophobicContact CE2-CD1 4.43Å; F33-L44 HydrophobicContact CZ-CD1 3.28Å; F33-V58 VanDerWaalsContact O-CG1 3.28Å; F33-V58 WeakPolarHBondContact O-CG1 3.45Å; F33-Y61 AromaticContact CD1-CD1 3.62Å; F33-Y61 HydrophobicContact CD1-CD1 3.62Å; F33-Y61 HydrophobicContact CD1-CE1 4.26Å; F33-Y61 HydrophobicContact CD1-CG 4.04Å; F33-Y61 AromaticContact CD2-CD1 3.5Å; F33-Y61 HydrophobicContact CD2-CD1 3.5Å; F33-Y61 AromaticContact CD2-CE1 3.48Å; F33-Y61 HydrophobicContact CD2-CE1 3.48Å; F33-Y61 VanDerWaalsContact CD2-CE1 3.48Å; F33-Y61 AromaticContact CE1-CD1 3.5Å; F33-Y61 HydrophobicContact CE1-CD1 3.5Å; F33-Y61 HydrophobicContact CE1-CD2 4.31Å; F33-Y61 AromaticContact CE1-CE1 3.85Å; F33-Y61 HydrophobicContact CE1-CE1 3.85Å; F33-Y61 AromaticContact CE1-CG 3.75Å; F33-Y61 HydrophobicContact CE1-CG 3.75Å; F33-Y61 AromaticContact CE2-CD1 3.38Å; F33-Y61 HydrophobicContact CE2-CD1 3.38Å; F33-Y61 AromaticContact CE2-CE1 2.97Å; F33-Y61 HydrophobicContact CE2-CE1 2.97Å; F33-Y61 HydrophobicContact CE2-CG 4.36Å; F33-Y61 AromaticContact CE2-CZ 3.69Å; F33-Y61 AromaticContact CG-CD1 3.62Å; F33-Y61 HydrophobicContact CG-CD1 3.62Å; F33-Y61 HydrophobicContact CG-CE1 4.09Å; F33-Y61 HydrophobicContact CG-CG 4.46Å; F33-Y61 AromaticContact CZ-CD1 3.37Å; F33-Y61 HydrophobicContact CZ-CD1 3.37Å; F33-Y61 HydrophobicContact CZ-CD2 4.27Å; F33-Y61 AromaticContact CZ-CE1 3.18Å; F33-Y61 HydrophobicContact CZ-CE1 3.18Å; F33-Y61 HydrophobicContact CZ-CE2 4.11Å; F33-Y61 AromaticContact CZ-CG 3.92Å; F33-Y61 HydrophobicContact CZ-CG 3.92Å; F33-Y61 AromaticContact CZ-CZ 3.57Å; F33-L65 HydrophobicContact CD2-CD1 4.24Å |
| 34 | A | 86.1 | Confident | 85.4 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 60% | 0.603 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61 | -22 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K30 R31 | K30-A34 WeakPolarHBondContact O-CB 3.3Å; K30-A34 PolarHBondContact O-N 2.98Å; R31-A34 PolarHBondContact O-N 2.92Å |
| 35 | R | 86.9 | Confident | 84.2 | Confident | 172 Ų | 172 | 68.4 Ų | 68.4 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -5.5 | 175.1 | -68.1 | 176.6 | -178.5 | 179.2 | -1.8 | 114 | R31 N32 F33 E37 | R31-R35 WeakPolarHBondContact O-CG 3.33Å; R31-R35 PolarHBondContact O-N 3.48Å; R31-R35 VanDerWaalsContact O-N 3.08Å; N32-R35 CarbonylContact O-C 3.53Å; N32-R35 PolarHBondContact O-N 3.19Å; N32-R35 VanDerWaalsContact O-N 3.13Å; F33-R35 PolarHBondContact O-N 2.92Å; F33-R35 VanDerWaalsContact O-N 3.12Å; R35-E37 HydrophobicContact CB-CB 4.48Å; R35-E37 HydrophobicContact CB-CG 3.91Å; R35-E37 WeakPolarHBondContact CD-OE1 3.25Å; R35-E37 IonicContact NH1-OE1 3.97Å; R35-E37 PolarHBondContact O-N 2.92Å |
| 36 | G | 81.2 | Confident | 83.1 | Confident | 51 Ų | 51 | 72 Ų | 72 | 53% | 0.526 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 13.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N32 F33 L38 | N32-G36 PolarHBondContact O-N 3.49Å; F33-G36 PolarHBondContact O-N 3.12Å; G36-L38 PolarHBondContact O-N 3.17Å |
| 37 | E | 83.8 | Confident | 81.8 | Confident | 92 Ų | 92 | 75.1 Ų | 75.1 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | trans | -82 | 78.1 | -179.3 | -68.8 | 174 | -162.7 | 0 | 0 | 111 | N32 R35 | N32-E37 HydrophobicContact CB-CB 4.22Å; N32-E37 WeakPolarHBondContact CB-O 3.37Å; N32-E37 PolarHBondContact O-N 3.31Å; R35-E37 HydrophobicContact CB-CB 4.48Å; R35-E37 HydrophobicContact CB-CG 3.91Å; R35-E37 WeakPolarHBondContact CD-OE1 3.25Å; R35-E37 IonicContact NH1-OE1 3.97Å; R35-E37 PolarHBondContact O-N 2.92Å | ||
| 38 | L | 77.9 | Confident | 80.3 | Confident | 24 Ų | 24 | 74.2 Ų | 74.2 | 13% | 0.126 | 41% | 0.405 | C | S | . | . | trans | -102.3 | 13.8 | -170.6 | -55.9 | 175.7 | 0 | 0 | 0 | 114.8 | F33 G36 Q40 F41 L44 T45 I53 | F33-L38 HydrophobicContact CD1-CD2 3.54Å; F33-L38 HydrophobicContact CD2-CD2 4.01Å; F33-L38 HydrophobicContact CE1-CD2 3.6Å; F33-L38 HydrophobicContact CE2-CD2 4.07Å; F33-L38 HydrophobicContact CG-CD2 3.76Å; F33-L38 HydrophobicContact CZ-CD2 3.88Å; G36-L38 PolarHBondContact O-N 3.17Å; L38-Q40 PolarHBondContact O-N 3.14Å; L38-Q40 VanDerWaalsContact O-N 3.11Å; L38-F41 HydrophobicContact CB-CD2 4.4Å; L38-F41 HydrophobicContact CD2-CD2 3.98Å; L38-F41 HydrophobicContact CD2-CE2 4.32Å; L38-F41 PolarHBondContact O-N 2.93Å; L38-L44 HydrophobicContact CB-CB 4.25Å; L38-L44 HydrophobicContact CD1-CB 4.18Å; L38-L44 HydrophobicContact CD1-CD1 4.23Å; L38-L44 HydrophobicContact CD2-CD1 4.17Å; L38-T45 WeakPolarHBondContact O-CG2 3.22Å; L38-I53 HydrophobicContact CD1-CD1 3.22Å; L38-I53 HydrophobicContact CD1-CG1 4.37Å | ||
| 39 | S | 75.6 | Confident | 78.9 | Confident | 109 Ų | 109 | 78.8 Ų | 78.8 | 76% | 0.762 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28.4 | -176 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | F41 | S39-F41 VanDerWaalsContact C-N 3.27Å; S39-F41 PolarHBondContact O-N 2.88Å |
| 40 | Q | 79.7 | Confident | 77.4 | Confident | 89 Ų | 89 | 84.6 Ų | 84.6 | 42% | 0.416 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -14.8 | 175.8 | 68.9 | -167.3 | 3.8 | 0 | 0 | 113.8 | N32 L38 | N32-Q40 PolarHBondContact ND2-NE2 3.26Å; N32-Q40 PolarHBondContact ND2-OE1 3.26Å; L38-Q40 PolarHBondContact O-N 3.14Å; L38-Q40 VanDerWaalsContact O-N 3.11Å |
| 41 | F | 79.1 | Confident | 76.1 | Confident | 42 Ų | 42 | 86.4 Ų | 86.4 | 18% | 0.184 | 47% | 0.474 | C | S | . | . | trans | -108.6 | 85.3 | -179.4 | -55.2 | -70.1 | 0 | 0 | 0 | 109.5 | F29 F33 L38 S39 S43 L44 T45 | F29-F41 HydrophobicContact CB-CZ 4.3Å; F29-F41 HydrophobicContact CD1-CZ 4.05Å; F29-F41 HydrophobicContact CD2-CZ 4.44Å; F29-F41 HydrophobicContact CE1-CZ 4.44Å; F29-F41 HydrophobicContact CG-CZ 4.02Å; F33-F41 AromaticContact CD2-CE2 3.79Å; F33-F41 HydrophobicContact CD2-CE2 3.79Å; F33-F41 HydrophobicContact CD2-CZ 4.27Å; F33-F41 AromaticContact CE2-CD2 3.74Å; F33-F41 HydrophobicContact CE2-CD2 3.74Å; F33-F41 HydrophobicContact CE2-CE1 4.29Å; F33-F41 AromaticContact CE2-CE2 3.09Å; F33-F41 HydrophobicContact CE2-CE2 3.09Å; F33-F41 AromaticContact CE2-CZ 3.43Å; F33-F41 HydrophobicContact CE2-CZ 3.43Å; F33-F41 VanDerWaalsContact CE2-CZ 3.43Å; F33-F41 AromaticContact CZ-CD2 3.97Å; F33-F41 HydrophobicContact CZ-CD2 3.97Å; F33-F41 AromaticContact CZ-CE2 3.79Å; F33-F41 HydrophobicContact CZ-CE2 3.79Å; F33-F41 HydrophobicContact CZ-CZ 4.25Å; L38-F41 HydrophobicContact CB-CD2 4.4Å; L38-F41 HydrophobicContact CD2-CD2 3.98Å; L38-F41 HydrophobicContact CD2-CE2 4.32Å; L38-F41 PolarHBondContact O-N 2.93Å; S39-F41 VanDerWaalsContact C-N 3.27Å; S39-F41 PolarHBondContact O-N 2.88Å; F41-S43 PolarHBondContact O-N 3.44Å; F41-S43 VanDerWaalsContact O-N 3.08Å; F41-L44 HydrophobicContact CB-CB 3.94Å; F41-L44 HydrophobicContact CB-CD1 3.79Å; F41-L44 HydrophobicContact CB-CG 3.92Å; F41-L44 HydrophobicContact CD2-CD1 4.09Å; F41-L44 HydrophobicContact CG-CD1 4.03Å; F41-L44 WeakPolarHBondContact O-CA 3.43Å; F41-L44 PolarHBondContact O-N 3.05Å; F41-T45 PolarHBondContact O-N 2.72Å | ||
| 42 | Q | 75.8 | Confident | 75.1 | Confident | 144 Ų | 144 | 81.6 Ų | 81.6 | 67% | 0.673 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -51 | -39.2 | -178.3 | -171.1 | 178.4 | 0 | 0 | 0 | 112.7 | L44 T45 Q46 | Q42-L44 VanDerWaalsContact C-N 3.29Å; Q42-L44 PolarHBondContact O-N 3.24Å; Q42-T45 WeakPolarHBondContact CA-OG1 3.27Å; Q42-T45 PolarHBondContact O-N 3.42Å; Q42-T45 PolarHBondContact O-OG1 2.91Å; Q42-Q46 PolarHBondContact O-N 3Å |
| 43 | S | 76.8 | Confident | 74.6 | Confident | 93 Ų | 93 | 82.5 Ų | 82.5 | 65% | 0.65 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.5 | -35.2 | 175.9 | -53.2 | 0 | 0 | 0 | 0 | 113.4 | F41 | F41-S43 PolarHBondContact O-N 3.44Å; F41-S43 VanDerWaalsContact O-N 3.08Å |
| 44 | L | 72.3 | Confident | 74.6 | Confident | 45 Ų | 45 | 84.8 Ų | 84.8 | 24% | 0.236 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -83.3 | -29.5 | 179.3 | -63.9 | 179.5 | 0 | 0 | 0 | 112.5 | F33 L38 F41 Q42 Q46 V47 G48 I53 | F33-L44 HydrophobicContact CE1-CD1 3.45Å; F33-L44 VanDerWaalsContact CE1-CD1 3.45Å; F33-L44 HydrophobicContact CE2-CD1 4.43Å; F33-L44 HydrophobicContact CZ-CD1 3.28Å; L38-L44 HydrophobicContact CB-CB 4.25Å; L38-L44 HydrophobicContact CD1-CB 4.18Å; L38-L44 HydrophobicContact CD1-CD1 4.23Å; L38-L44 HydrophobicContact CD2-CD1 4.17Å; F41-L44 HydrophobicContact CB-CB 3.94Å; F41-L44 HydrophobicContact CB-CD1 3.79Å; F41-L44 HydrophobicContact CB-CG 3.92Å; F41-L44 HydrophobicContact CD2-CD1 4.09Å; F41-L44 HydrophobicContact CG-CD1 4.03Å; F41-L44 WeakPolarHBondContact O-CA 3.43Å; F41-L44 PolarHBondContact O-N 3.05Å; Q42-L44 VanDerWaalsContact C-N 3.29Å; Q42-L44 PolarHBondContact O-N 3.24Å; L44-Q46 PolarHBondContact O-N 2.97Å; L44-V47 PolarHBondContact O-N 2.82Å; L44-G48 PolarHBondContact O-N 3.2Å; L44-I53 HydrophobicContact CB-CD1 4.28Å; L44-I53 HydrophobicContact CD1-CD1 4.5Å; L44-I53 HydrophobicContact CD2-CD1 4.08Å |
| 45 | T | 69 | Low | 74.6 | Confident | 54 Ų | 54 | 89.5 Ų | 89.5 | 33% | 0.331 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -29.5 | 173.1 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | L38 F41 Q42 N49 | L38-T45 WeakPolarHBondContact O-CG2 3.22Å; F41-T45 PolarHBondContact O-N 2.72Å; Q42-T45 WeakPolarHBondContact CA-OG1 3.27Å; Q42-T45 PolarHBondContact O-N 3.42Å; Q42-T45 PolarHBondContact O-OG1 2.91Å; T45-N49 PolarHBondContact O-ND2 2.75Å |
| 46 | Q | 69.2 | Low | 74.7 | Confident | 120 Ų | 120 | 84.3 Ų | 84.3 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.4 | -46.8 | 174.6 | -69.6 | 175.4 | 2.6 | 0 | 0 | 111.6 | Q42 L44 G48 N49 | Q42-Q46 PolarHBondContact O-N 3Å; L44-Q46 PolarHBondContact O-N 2.97Å; Q46-G48 PolarHBondContact O-N 2.94Å; Q46-N49 PolarHBondContact O-N 3.33Å |
| 47 | V | 67.5 | Low | 75 | Confident | 71 Ų | 71 | 86.1 Ų | 86.1 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | -179.8 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | L44 N49 E50 S51 | L44-V47 PolarHBondContact O-N 2.82Å; V47-N49 PolarHBondContact O-N 2.84Å; V47-E50 PolarHBondContact O-N 3.16Å; V47-S51 PolarHBondContact O-N 2.95Å |
| 48 | G | 61.5 | Low | 75.2 | Confident | 32 Ų | 32 | 83.1 Ų | 83.1 | 33% | 0.33 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.7 | -29 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L44 Q46 G52 | L44-G48 PolarHBondContact O-N 3.2Å; Q46-G48 PolarHBondContact O-N 2.94Å; G48-G52 PolarHBondContact O-N 3.49Å |
| 49 | N | 63.7 | Low | 75.8 | Confident | 145 Ų | 145 | 87.7 Ų | 87.7 | 78% | 0.775 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -76.9 | -23.9 | -179 | -67.7 | -18.8 | 0 | 0 | 0 | 113.5 | T45 Q46 V47 | T45-N49 PolarHBondContact O-ND2 2.75Å; Q46-N49 PolarHBondContact O-N 3.33Å; V47-N49 PolarHBondContact O-N 2.84Å |
| 50 | E | 59.4 | Low | 76.7 | Confident | 179 Ų | 179 | 87.2 Ų | 87.2 | 84% | 0.836 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -95.2 | -36.3 | -173.3 | -67.9 | -177.1 | 176.1 | 0 | 0 | 112.9 | V47 | V47-E50 PolarHBondContact O-N 3.16Å |
| 51 | S | 64.1 | Low | 77.2 | Confident | 104 Ų | 104 | 87.1 Ų | 87.1 | 73% | 0.727 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -146.5 | 0.5 | -178.4 | 62.4 | 0 | 0 | 0 | 0 | 115.7 | V47 | V47-S51 PolarHBondContact O-N 2.95Å |
| 52 | G | 72.7 | Confident | 77.8 | Confident | 37 Ų | 37 | 85.9 Ų | 85.9 | 38% | 0.381 | 48% | 0.478 | S | S | . | . | trans | 65.8 | 161.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G48 | G48-G52 PolarHBondContact O-N 3.49Š| ||
| 53 | I | 77.9 | Confident | 78.8 | Confident | 50 Ų | 50 | 84.7 Ų | 84.7 | 26% | 0.256 | 47% | 0.473 | S | S | . | . | trans | -92.5 | 130.4 | 172 | -58 | -175.1 | 0 | 0 | 0 | 107.4 | L38 L44 D57 V58 | L38-I53 HydrophobicContact CD1-CD1 3.22Å; L38-I53 HydrophobicContact CD1-CG1 4.37Å; L44-I53 HydrophobicContact CB-CD1 4.28Å; L44-I53 HydrophobicContact CD1-CD1 4.5Å; L44-I53 HydrophobicContact CD2-CD1 4.08Å; I53-D57 HydrophobicContact CG2-CB 3.76Å; I53-V58 HydrophobicContact CB-CG2 4.39Å; I53-V58 HydrophobicContact CG2-CG2 3.75Å | ||
| 54 | S | 85.6 | Confident | 79.7 | Confident | 55 Ų | 55 | 85.8 Ų | 85.8 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | trans | -66.8 | 150.1 | 179.2 | 81.7 | 0 | 0 | 0 | 0 | 110.8 | A56 D57 V58 | S54-A56 PolarHBondContact O-N 3.17Å; S54-D57 WeakPolarHBondContact CB-OD2 3.35Å; S54-D57 PolarHBondContact O-N 3.16Å; S54-D57 VanDerWaalsContact O-N 3.11Å; S54-D57 PolarHBondContact OG-N 3.07Å; S54-D57 PolarHBondContact OG-OD2 3.5Å; S54-V58 PolarHBondContact O-N 3.42Å; S54-V58 VanDerWaalsContact O-N 3.13Å | ||
| 55 | E | 86.5 | Confident | 80.7 | Confident | 171 Ų | 171 | 84.1 Ų | 84.1 | 80% | 0.799 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.4 | -37.5 | 177.2 | -174.4 | 174.4 | -171.1 | 0 | 0 | 111.8 | D57 V58 E59 | E55-D57 PolarHBondContact O-N 3.48Å; E55-V58 PolarHBondContact O-N 3.1Å; E55-E59 PolarHBondContact O-N 2.77Å |
| 56 | A | 89.7 | Confident | 82 | Confident | 64 Ų | 64 | 84.2 Ų | 84.2 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S54 E59 M60 | S54-A56 PolarHBondContact O-N 3.17Å; A56-E59 PolarHBondContact O-N 3.1Å; A56-M60 WeakPolarHBondContact O-CB 3.27Å; A56-M60 PolarHBondContact O-N 2.99Å |
| 57 | D | 87.1 | Confident | 83.4 | Confident | 88 Ų | 88 | 81.2 Ų | 81.2 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 176.7 | -63.1 | -46.3 | 0 | 0 | 0 | 111.6 | I53 S54 E55 Y61 | I53-D57 HydrophobicContact CG2-CB 3.76Å; S54-D57 WeakPolarHBondContact CB-OD2 3.35Å; S54-D57 PolarHBondContact O-N 3.16Å; S54-D57 VanDerWaalsContact O-N 3.11Å; S54-D57 PolarHBondContact OG-N 3.07Å; S54-D57 PolarHBondContact OG-OD2 3.5Å; E55-D57 PolarHBondContact O-N 3.48Å; D57-Y61 WeakPolarHBondContact O-CB 3.27Å; D57-Y61 PolarHBondContact O-N 3.2Å |
| 58 | V | 87.8 | Confident | 84.8 | Confident | 30 Ų | 30 | 81 Ų | 81 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.1 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | F33 I53 S54 E55 Y61 C62 | F33-V58 VanDerWaalsContact O-CG1 3.28Å; F33-V58 WeakPolarHBondContact O-CG1 3.45Å; I53-V58 HydrophobicContact CB-CG2 4.39Å; I53-V58 HydrophobicContact CG2-CG2 3.75Å; S54-V58 PolarHBondContact O-N 3.42Å; S54-V58 VanDerWaalsContact O-N 3.13Å; E55-V58 PolarHBondContact O-N 3.1Å; V58-Y61 PolarHBondContact O-N 3.37Å; V58-C62 WeakPolarHBondContact O-CB 3.36Å; V58-C62 PolarHBondContact O-N 3.44Å; V58-C62 PolarHBondContact O-SG 2.98Å |
| 59 | E | 91.9 | Very high | 86.5 | Confident | 119 Ų | 119 | 80.9 Ų | 80.9 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.8 | -51.2 | 177.4 | -174.9 | 171 | -155.9 | 0 | 0 | 110.9 | E55 A56 Y61 C62 E63 | E55-E59 PolarHBondContact O-N 2.77Å; A56-E59 PolarHBondContact O-N 3.1Å; E59-Y61 VanDerWaalsContact C-N 3.3Å; E59-Y61 PolarHBondContact O-N 3.28Å; E59-C62 WeakPolarHBondContact O-CB 3.47Å; E59-C62 PolarHBondContact O-N 3.14Å; E59-E63 WeakPolarHBondContact O-CG 3.31Å; E59-E63 PolarHBondContact O-N 3.07Å |
| 60 | M | 93 | Very high | 88 | Confident | 100 Ų | 100 | 77.4 Ų | 77.4 | 49% | 0.493 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56 | -43.5 | 178 | -174 | -173 | -60.8 | 0 | 0 | 112 | A56 E63 H64 | A56-M60 WeakPolarHBondContact O-CB 3.27Å; A56-M60 PolarHBondContact O-N 2.99Å; M60-E63 PolarHBondContact O-N 3.01Å; M60-H64 VanDerWaalsContact O-CG 3.3Å; M60-H64 PolarHBondContact O-N 3.12Å |
| 61 | Y | 90.5 | Very high | 89.8 | Confident | 87 Ų | 87 | 71.3 Ų | 71.3 | 34% | 0.341 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 178 | -163.6 | -89.1 | 0 | 0 | 0 | 112.2 | F33 D57 V58 E59 E63 H64 L65 | F33-Y61 AromaticContact CD1-CD1 3.62Å; F33-Y61 HydrophobicContact CD1-CD1 3.62Å; F33-Y61 HydrophobicContact CD1-CE1 4.26Å; F33-Y61 HydrophobicContact CD1-CG 4.04Å; F33-Y61 AromaticContact CD2-CD1 3.5Å; F33-Y61 HydrophobicContact CD2-CD1 3.5Å; F33-Y61 AromaticContact CD2-CE1 3.48Å; F33-Y61 HydrophobicContact CD2-CE1 3.48Å; F33-Y61 VanDerWaalsContact CD2-CE1 3.48Å; F33-Y61 AromaticContact CE1-CD1 3.5Å; F33-Y61 HydrophobicContact CE1-CD1 3.5Å; F33-Y61 HydrophobicContact CE1-CD2 4.31Å; F33-Y61 AromaticContact CE1-CE1 3.85Å; F33-Y61 HydrophobicContact CE1-CE1 3.85Å; F33-Y61 AromaticContact CE1-CG 3.75Å; F33-Y61 HydrophobicContact CE1-CG 3.75Å; F33-Y61 AromaticContact CE2-CD1 3.38Å; F33-Y61 HydrophobicContact CE2-CD1 3.38Å; F33-Y61 AromaticContact CE2-CE1 2.97Å; F33-Y61 HydrophobicContact CE2-CE1 2.97Å; F33-Y61 HydrophobicContact CE2-CG 4.36Å; F33-Y61 AromaticContact CE2-CZ 3.69Å; F33-Y61 AromaticContact CG-CD1 3.62Å; F33-Y61 HydrophobicContact CG-CD1 3.62Å; F33-Y61 HydrophobicContact CG-CE1 4.09Å; F33-Y61 HydrophobicContact CG-CG 4.46Å; F33-Y61 AromaticContact CZ-CD1 3.37Å; F33-Y61 HydrophobicContact CZ-CD1 3.37Å; F33-Y61 HydrophobicContact CZ-CD2 4.27Å; F33-Y61 AromaticContact CZ-CE1 3.18Å; F33-Y61 HydrophobicContact CZ-CE1 3.18Å; F33-Y61 HydrophobicContact CZ-CE2 4.11Å; F33-Y61 AromaticContact CZ-CG 3.92Å; F33-Y61 HydrophobicContact CZ-CG 3.92Å; F33-Y61 AromaticContact CZ-CZ 3.57Å; D57-Y61 WeakPolarHBondContact O-CB 3.27Å; D57-Y61 PolarHBondContact O-N 3.2Å; V58-Y61 PolarHBondContact O-N 3.37Å; E59-Y61 VanDerWaalsContact C-N 3.3Å; E59-Y61 PolarHBondContact O-N 3.28Å; Y61-E63 VanDerWaalsContact C-N 3.32Å; Y61-E63 PolarHBondContact O-N 3.44Å; Y61-H64 PolarHBondContact O-N 3.31Å; Y61-L65 HydrophobicContact CD1-CD1 3.68Å; Y61-L65 HydrophobicContact CD1-CG 3.81Å; Y61-L65 HydrophobicContact CE1-CD1 3.46Å; Y61-L65 VanDerWaalsContact CE1-CD1 3.46Å; Y61-L65 HydrophobicContact CE1-CD2 3.85Å; Y61-L65 HydrophobicContact CE1-CG 3.52Å; Y61-L65 WeakPolarHBondContact O-CG 3.37Å; Y61-L65 PolarHBondContact O-N 3.43Å |
| 62 | C | 92.5 | Very high | 91.3 | Very high | 15 Ų | 15 | 68.5 Ų | 68.5 | 10% | 0.101 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 175.3 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | K30 V58 E59 Q66 | K30-C62 HydrophobicContact CG-CB 4.12Å; V58-C62 WeakPolarHBondContact O-CB 3.36Å; V58-C62 PolarHBondContact O-N 3.44Å; V58-C62 PolarHBondContact O-SG 2.98Å; E59-C62 WeakPolarHBondContact O-CB 3.47Å; E59-C62 PolarHBondContact O-N 3.14Å; C62-Q66 WeakPolarHBondContact O-CB 3.38Å; C62-Q66 PolarHBondContact O-N 3.27Å |
| 63 | E | 95.5 | Very high | 92.3 | Very high | 119 Ų | 119 | 69.1 Ų | 69.1 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.2 | -45.8 | 172.7 | -70.8 | -172.7 | 154.5 | 0 | 0 | 111.4 | E59 M60 Y61 L65 Q66 A67 | E59-E63 WeakPolarHBondContact O-CG 3.31Å; E59-E63 PolarHBondContact O-N 3.07Å; M60-E63 PolarHBondContact O-N 3.01Å; Y61-E63 VanDerWaalsContact C-N 3.32Å; Y61-E63 PolarHBondContact O-N 3.44Å; E63-L65 PolarHBondContact O-N 2.81Å; E63-Q66 WeakPolarHBondContact O-CB 3.24Å; E63-Q66 PolarHBondContact O-N 3.47Å; E63-Q66 VanDerWaalsContact O-N 3.17Å; E63-A67 WeakPolarHBondContact O-CB 3.26Å; E63-A67 PolarHBondContact O-N 3.47Å |
| 64 | H | 95.7 | Very high | 93.2 | Very high | 116 Ų | 116 | 76.5 Ų | 76.5 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.4 | -71.8 | 169.9 | 0 | 0 | 0 | 112.5 | M60 Y61 Q66 A67 L68 | M60-H64 VanDerWaalsContact O-CG 3.3Å; M60-H64 PolarHBondContact O-N 3.12Å; Y61-H64 PolarHBondContact O-N 3.31Å; H64-Q66 VanDerWaalsContact C-N 3.3Å; H64-Q66 PolarHBondContact O-N 3.3Å; H64-A67 PolarHBondContact O-N 3.12Å; H64-L68 WeakPolarHBondContact O-CB 3.49Å; H64-L68 PolarHBondContact O-N 2.92Å |
| 65 | L | 94.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 81.8 Ų | 81.8 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.9 | -39 | 175.3 | -74.2 | 179.4 | 0 | 0 | 0 | 112 | L26 F29 K30 F33 Y61 E63 L68 H69 | L26-L65 HydrophobicContact CD2-CD2 4.06Å; F29-L65 HydrophobicContact CB-CD1 3.73Å; F29-L65 HydrophobicContact CB-CD2 4.41Å; K30-L65 VanDerWaalsContact CA-CD1 3.48Å; K30-L65 HydrophobicContact CB-CB 4.24Å; K30-L65 HydrophobicContact CB-CD1 3.88Å; K30-L65 VanDerWaalsContact N-CD1 3.28Å; F33-L65 HydrophobicContact CD2-CD1 4.24Å; Y61-L65 HydrophobicContact CD1-CD1 3.68Å; Y61-L65 HydrophobicContact CD1-CG 3.81Å; Y61-L65 HydrophobicContact CE1-CD1 3.46Å; Y61-L65 VanDerWaalsContact CE1-CD1 3.46Å; Y61-L65 HydrophobicContact CE1-CD2 3.85Å; Y61-L65 HydrophobicContact CE1-CG 3.52Å; Y61-L65 WeakPolarHBondContact O-CG 3.37Å; Y61-L65 PolarHBondContact O-N 3.43Å; E63-L65 PolarHBondContact O-N 2.81Å; L65-L68 PolarHBondContact O-N 3.46Å; L65-H69 WeakPolarHBondContact O-CB 3.5Å; L65-H69 PolarHBondContact O-N 3.22Å |
| 66 | Q | 96.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 76.4 Ų | 76.4 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 176.2 | -172.4 | 62.7 | 62.6 | 0 | 0 | 111.8 | K30 C62 E63 H64 L68 H69 N70 | K30-Q66 HydrophobicContact CD-CB 4.35Å; C62-Q66 WeakPolarHBondContact O-CB 3.38Å; C62-Q66 PolarHBondContact O-N 3.27Å; E63-Q66 WeakPolarHBondContact O-CB 3.24Å; E63-Q66 PolarHBondContact O-N 3.47Å; E63-Q66 VanDerWaalsContact O-N 3.17Å; H64-Q66 VanDerWaalsContact C-N 3.3Å; H64-Q66 PolarHBondContact O-N 3.3Å; Q66-L68 VanDerWaalsContact C-N 3.34Å; Q66-H69 PolarHBondContact O-N 3.47Å; Q66-N70 PolarHBondContact NE2-OD1 3.23Å; Q66-N70 WeakPolarHBondContact O-CB 3.41Å; Q66-N70 PolarHBondContact O-N 2.89Å; Q66-N70 PolarHBondContact O-ND2 2.95Å; Q66-N70 PolarHBondContact O-OD1 2.97Å |
| 67 | A | 97.5 | Very high | 93.9 | Very high | 58 Ų | 58 | 79 Ų | 79 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | E63 H64 N70 D71 | E63-A67 WeakPolarHBondContact O-CB 3.26Å; E63-A67 PolarHBondContact O-N 3.47Å; H64-A67 PolarHBondContact O-N 3.12Å; A67-N70 PolarHBondContact O-N 3.07Å; A67-D71 PolarHBondContact O-N 3.11Å |
| 68 | L | 96.4 | Very high | 93.8 | Very high | 66 Ų | 66 | 80 Ų | 80 | 35% | 0.346 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.3 | -174.3 | 62.5 | 0 | 0 | 0 | 111.9 | L26 H64 L65 Q66 N70 D71 F72 | L26-L68 HydrophobicContact CD1-CD2 4.24Å; L26-L68 HydrophobicContact CD1-CG 4.04Å; L26-L68 HydrophobicContact CD2-CD2 3.77Å; L26-L68 HydrophobicContact CD2-CG 4.46Å; H64-L68 WeakPolarHBondContact O-CB 3.49Å; H64-L68 PolarHBondContact O-N 2.92Å; L65-L68 PolarHBondContact O-N 3.46Å; Q66-L68 VanDerWaalsContact C-N 3.34Å; L68-N70 VanDerWaalsContact C-N 3.32Å; L68-N70 PolarHBondContact O-N 2.85Å; L68-D71 PolarHBondContact O-N 3.01Å; L68-F72 HydrophobicContact CD1-CD2 3.79Å; L68-F72 HydrophobicContact CD1-CE2 3.52Å; L68-F72 HydrophobicContact CG-CD2 4.21Å; L68-F72 HydrophobicContact CG-CE2 4.21Å; L68-F72 WeakPolarHBondContact O-CD2 3.28Å; L68-F72 PolarHBondContact O-N 3.09Å |
| 69 | H | 96.9 | Very high | 93.8 | Very high | 30 Ų | 30 | 79.7 Ų | 79.7 | 14% | 0.139 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 173.5 | 177.6 | -81.5 | 0 | 0 | 0 | 110.7 | M23 L26 L65 Q66 D71 F72 T73 | M23-H69 WeakPolarHBondContact CE-CD2 3.45Å; M23-H69 VanDerWaalsContact CE-NE2 3.32Å; M23-H69 WeakPolarHBondContact CE-NE2 3.17Å; M23-H69 WeakPolarHBondContact CE-O 3.33Å; L26-H69 HydrophobicContact CB-CB 4.46Å; L26-H69 HydrophobicContact CD1-CB 4.19Å; L65-H69 WeakPolarHBondContact O-CB 3.5Å; L65-H69 PolarHBondContact O-N 3.22Å; Q66-H69 PolarHBondContact O-N 3.47Å; H69-D71 PolarHBondContact O-N 2.79Å; H69-F72 PolarHBondContact O-N 3.38Å; H69-T73 WeakPolarHBondContact O-CB 3.44Å; H69-T73 PolarHBondContact O-N 3.2Å; H69-T73 PolarHBondContact O-OG1 3.25Å |
| 70 | N | 96.4 | Very high | 93.6 | Very high | 71 Ų | 71 | 75.6 Ų | 75.6 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 179.4 | -67 | -11.5 | 0 | 0 | 0 | 112.7 | Q66 A67 L68 T73 R74 | Q66-N70 PolarHBondContact NE2-OD1 3.23Å; Q66-N70 WeakPolarHBondContact O-CB 3.41Å; Q66-N70 PolarHBondContact O-N 2.89Å; Q66-N70 PolarHBondContact O-ND2 2.95Å; Q66-N70 PolarHBondContact O-OD1 2.97Å; A67-N70 PolarHBondContact O-N 3.07Å; L68-N70 VanDerWaalsContact C-N 3.32Å; L68-N70 PolarHBondContact O-N 2.85Å; N70-T73 PolarHBondContact O-N 2.94Å; N70-R74 WeakPolarHBondContact O-CG 3.44Å; N70-R74 PolarHBondContact O-N 3.36Å; N70-R74 VanDerWaalsContact O-N 3.11Å |
| 71 | D | 97.2 | Very high | 93.2 | Very high | 51 Ų | 51 | 72.4 Ų | 72.4 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 174.6 | 175.1 | 73.6 | 0 | 0 | 0 | 111.1 | A67 L68 H69 T73 R74 R75 | A67-D71 PolarHBondContact O-N 3.11Å; L68-D71 PolarHBondContact O-N 3.01Å; H69-D71 PolarHBondContact O-N 2.79Å; D71-T73 PolarHBondContact O-N 2.92Å; D71-R74 PolarHBondContact O-N 3.27Å; D71-R74 VanDerWaalsContact O-N 3.16Å; D71-R75 WeakPolarHBondContact O-CG 3.19Å; D71-R75 PolarHBondContact O-N 2.92Å; D71-R75 IonicContact OD1-CZ 3.03Å; D71-R75 VanDerWaalsContact OD1-CZ 3.3Å; D71-R75 IonicContact OD1-NE 2.89Å; D71-R75 PolarHBondContact OD1-NE 2.92Å; D71-R75 IonicContact OD1-NH2 2.96Å; D71-R75 PolarHBondContact OD1-NH2 3.4Å; D71-R75 WeakPolarHBondContact OD2-CD 3.38Å; D71-R75 IonicContact OD2-CZ 3.78Å; D71-R75 IonicContact OD2-NE 3.3Å; D71-R75 PolarHBondContact OD2-NE 3.38Å; D71-R75 IonicContact OD2-NH1 2.99Å; D71-R75 IonicContact OD2-NH2 3.12Å; D71-R75 PolarHBondContact OD2-NH2 2.87Å; D71-R75 VanDerWaalsContact OD2-NH2 3.12Å |
| 72 | F | 94.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 70.4 Ų | 70.4 | 20% | 0.202 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 177.8 | -86.6 | -120 | 0 | 0 | 0 | 112.4 | F22 M23 L68 H69 R74 R75 F76 | F22-F72 AromaticContact CD1-CD1 3.87Å; F22-F72 HydrophobicContact CD1-CD1 3.87Å; F22-F72 AromaticContact CD1-CE1 3.66Å; F22-F72 HydrophobicContact CD1-CE1 3.66Å; F22-F72 HydrophobicContact CD1-CZ 4.41Å; F22-F72 AromaticContact CE1-CD1 3.92Å; F22-F72 HydrophobicContact CE1-CD1 3.92Å; F22-F72 AromaticContact CE1-CE1 3.47Å; F22-F72 HydrophobicContact CE1-CE1 3.47Å; F22-F72 VanDerWaalsContact CE1-CE1 3.47Å; F22-F72 HydrophobicContact CE1-CE2 4.44Å; F22-F72 AromaticContact CE1-CZ 3.77Å; F22-F72 HydrophobicContact CE1-CZ 3.77Å; M23-F72 HydrophobicContact CE-CB 4.19Å; M23-F72 HydrophobicContact SD-CB 3.29Å; M23-F72 WeakPolarHBondContact SD-CB 3.48Å; M23-F72 HydrophobicContact SD-CD1 4.4Å; M23-F72 HydrophobicContact SD-CG 4.19Å; L68-F72 HydrophobicContact CD1-CD2 3.79Å; L68-F72 HydrophobicContact CD1-CE2 3.52Å; L68-F72 HydrophobicContact CG-CD2 4.21Å; L68-F72 HydrophobicContact CG-CE2 4.21Å; L68-F72 WeakPolarHBondContact O-CD2 3.28Å; L68-F72 PolarHBondContact O-N 3.09Å; H69-F72 PolarHBondContact O-N 3.38Å; F72-R74 PolarHBondContact O-N 3.43Å; F72-R75 PolarHBondContact O-N 3.31Å; F72-F76 HydrophobicContact CB-CD2 4.22Å; F72-F76 AromaticContact CD1-CD2 3.8Å; F72-F76 HydrophobicContact CD1-CD2 3.8Å; F72-F76 AromaticContact CD1-CE2 3.48Å; F72-F76 HydrophobicContact CD1-CE2 3.48Å; F72-F76 VanDerWaalsContact CD1-CE2 3.48Å; F72-F76 AromaticContact CE1-CE2 3.75Å; F72-F76 HydrophobicContact CE1-CE2 3.75Å; F72-F76 HydrophobicContact CG-CD2 4.23Å; F72-F76 HydrophobicContact CG-CE2 4.09Å; F72-F76 WeakPolarHBondContact O-CB 3.42Å; F72-F76 WeakPolarHBondContact O-CD2 3.33Å; F72-F76 PolarHBondContact O-N 2.94Å |
| 73 | T | 94.5 | Very high | 92.4 | Very high | 49 Ų | 49 | 70.4 Ų | 70.4 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56 | -39.9 | 172.6 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | M23 H69 N70 D71 H77 | M23-T73 WeakPolarHBondContact CE-OG1 3.44Å; H69-T73 WeakPolarHBondContact O-CB 3.44Å; H69-T73 PolarHBondContact O-N 3.2Å; H69-T73 PolarHBondContact O-OG1 3.25Å; N70-T73 PolarHBondContact O-N 2.94Å; D71-T73 PolarHBondContact O-N 2.92Å; T73-H77 VanDerWaalsContact O-CA 3.27Å; T73-H77 WeakPolarHBondContact O-CA 3.48Å; T73-H77 WeakPolarHBondContact O-CB 3.31Å; T73-H77 PolarHBondContact O-N 2.94Å |
| 74 | R | 95.5 | Very high | 91.7 | Very high | 206 Ų | 206 | 69.5 Ų | 69.5 | 78% | 0.777 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -73.6 | -45.4 | 178.1 | -70.9 | 172.8 | -178.7 | -174 | 1.1 | 112 | N70 D71 F72 F76 H77 | N70-R74 WeakPolarHBondContact O-CG 3.44Å; N70-R74 PolarHBondContact O-N 3.36Å; N70-R74 VanDerWaalsContact O-N 3.11Å; D71-R74 PolarHBondContact O-N 3.27Å; D71-R74 VanDerWaalsContact O-N 3.16Å; F72-R74 PolarHBondContact O-N 3.43Å; R74-F76 PolarHBondContact O-N 3.45Å; R74-H77 WeakPolarHBondContact O-CB 3.15Å |
| 75 | R | 94.2 | Very high | 91.3 | Very high | 165 Ų | 165 | 66.3 Ų | 66.3 | 62% | 0.623 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.4 | -35.2 | -176.9 | -72.6 | -177.8 | -169.9 | -167.6 | 10.7 | 113.4 | D71 F72 | D71-R75 WeakPolarHBondContact O-CG 3.19Å; D71-R75 PolarHBondContact O-N 2.92Å; D71-R75 IonicContact OD1-CZ 3.03Å; D71-R75 VanDerWaalsContact OD1-CZ 3.3Å; D71-R75 IonicContact OD1-NE 2.89Å; D71-R75 PolarHBondContact OD1-NE 2.92Å; D71-R75 IonicContact OD1-NH2 2.96Å; D71-R75 PolarHBondContact OD1-NH2 3.4Å; D71-R75 WeakPolarHBondContact OD2-CD 3.38Å; D71-R75 IonicContact OD2-CZ 3.78Å; D71-R75 IonicContact OD2-NE 3.3Å; D71-R75 PolarHBondContact OD2-NE 3.38Å; D71-R75 IonicContact OD2-NH1 2.99Å; D71-R75 IonicContact OD2-NH2 3.12Å; D71-R75 PolarHBondContact OD2-NH2 2.87Å; D71-R75 VanDerWaalsContact OD2-NH2 3.12Å; F72-R75 PolarHBondContact O-N 3.31Å |
| 76 | F | 92.9 | Very high | 90.9 | Very high | 59 Ų | 59 | 70 Ų | 70 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 25.8 | -178 | -57.5 | -67.5 | 0 | 0 | 0 | 111.8 | I19 F72 R74 D78 I79 L80 | I19-F76 HydrophobicContact CD1-CB 4.31Å; I19-F76 HydrophobicContact CD1-CD1 3.53Å; I19-F76 HydrophobicContact CD1-CD2 4.44Å; I19-F76 HydrophobicContact CD1-CE1 3.85Å; I19-F76 HydrophobicContact CD1-CG 3.84Å; I19-F76 HydrophobicContact CD1-CZ 4.44Å; I19-F76 HydrophobicContact CG2-CB 4.01Å; I19-F76 HydrophobicContact CG2-CD2 4.14Å; I19-F76 HydrophobicContact CG2-CG 4.09Å; F72-F76 HydrophobicContact CB-CD2 4.22Å; F72-F76 AromaticContact CD1-CD2 3.8Å; F72-F76 HydrophobicContact CD1-CD2 3.8Å; F72-F76 AromaticContact CD1-CE2 3.48Å; F72-F76 HydrophobicContact CD1-CE2 3.48Å; F72-F76 VanDerWaalsContact CD1-CE2 3.48Å; F72-F76 AromaticContact CE1-CE2 3.75Å; F72-F76 HydrophobicContact CE1-CE2 3.75Å; F72-F76 HydrophobicContact CG-CD2 4.23Å; F72-F76 HydrophobicContact CG-CE2 4.09Å; F72-F76 WeakPolarHBondContact O-CB 3.42Å; F72-F76 WeakPolarHBondContact O-CD2 3.33Å; F72-F76 PolarHBondContact O-N 2.94Å; R74-F76 PolarHBondContact O-N 3.45Å; F76-D78 PolarHBondContact O-N 3.43Å; F76-I79 HydrophobicContact CD1-CD1 4.04Å; F76-I79 PolarHBondContact O-N 2.95Å; F76-L80 HydrophobicContact CB-CD1 4.46Å; F76-L80 HydrophobicContact CB-CG 4.41Å; F76-L80 WeakPolarHBondContact O-CB 3.15Å; F76-L80 VanDerWaalsContact O-CG 3.25Å; F76-L80 WeakPolarHBondContact O-CG 3.4Å; F76-L80 PolarHBondContact O-N 3.47Å |
| 77 | H | 89.4 | Confident | 90.4 | Very high | 119 Ų | 119 | 72.9 Ų | 72.9 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57 | -40.6 | -177.2 | 177.1 | 63 | 0 | 0 | 0 | 112.1 | T73 R74 S81 | T73-H77 VanDerWaalsContact O-CA 3.27Å; T73-H77 WeakPolarHBondContact O-CA 3.48Å; T73-H77 WeakPolarHBondContact O-CB 3.31Å; T73-H77 PolarHBondContact O-N 2.94Å; R74-H77 WeakPolarHBondContact O-CB 3.15Å; H77-S81 PolarHBondContact CE1-OG 3.32Å; H77-S81 VanDerWaalsContact CE1-OG 3.25Å; H77-S81 PolarHBondContact NE2-OG 3.22Å; H77-S81 WeakPolarHBondContact O-CB 3.31Å; H77-S81 PolarHBondContact O-N 2.92Å; H77-S81 PolarHBondContact O-OG 3.26Å |
| 78 | D | 86.8 | Confident | 90.1 | Very high | 109 Ų | 109 | 71.3 Ų | 71.3 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.9 | -48.6 | 176.5 | 60.1 | -31.3 | 0 | 0 | 0 | 112.3 | F76 S81 M82 | F76-D78 PolarHBondContact O-N 3.43Å; D78-S81 PolarHBondContact O-N 3.41Å; D78-M82 PolarHBondContact O-N 3.24Å |
| 79 | I | 87.7 | Confident | 89.7 | Confident | 22 Ų | 22 | 72 Ų | 72 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 179 | -60 | 179.4 | 0 | 0 | 0 | 110.3 | T15 K16 I19 F76 M82 I83 | T15-I79 HydrophobicContact CG2-CD1 3.96Å; K16-I79 HydrophobicContact CB-CG2 4.16Å; I19-I79 HydrophobicContact CD1-CD1 3.67Å; I19-I79 HydrophobicContact CD1-CG2 4.23Å; F76-I79 HydrophobicContact CD1-CD1 4.04Å; F76-I79 PolarHBondContact O-N 2.95Å; I79-M82 WeakPolarHBondContact O-CB 3.43Å; I79-M82 PolarHBondContact O-N 3.43Å; I79-I83 VanDerWaalsContact O-CG1 3.25Å; I79-I83 WeakPolarHBondContact O-CG1 3.41Å; I79-I83 PolarHBondContact O-N 3.28Å |
| 80 | L | 86.7 | Confident | 89.3 | Confident | 33 Ų | 33 | 75.3 Ų | 75.3 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 178.6 | -69.1 | 173.4 | 0 | 0 | 0 | 111.6 | I19 M23 F76 M82 I83 L84 | I19-L80 HydrophobicContact CG2-CD2 4.2Å; M23-L80 HydrophobicContact CE-CD1 4.47Å; F76-L80 HydrophobicContact CB-CD1 4.46Å; F76-L80 HydrophobicContact CB-CG 4.41Å; F76-L80 WeakPolarHBondContact O-CB 3.15Å; F76-L80 VanDerWaalsContact O-CG 3.25Å; F76-L80 WeakPolarHBondContact O-CG 3.4Å; F76-L80 PolarHBondContact O-N 3.47Å; L80-M82 VanDerWaalsContact C-N 3.3Å; L80-M82 PolarHBondContact O-N 3.04Å; L80-I83 HydrophobicContact CD2-CD1 4.09Å; L80-I83 VanDerWaalsContact O-CB 3.23Å; L80-I83 WeakPolarHBondContact O-CB 3.3Å; L80-I83 WeakPolarHBondContact O-CG1 3.46Å; L80-I83 PolarHBondContact O-N 3.36Å; L80-L84 PolarHBondContact O-N 3.39Å |
| 81 | S | 85.7 | Confident | 89 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64 | -37.5 | 176 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | H77 D78 I83 L84 L85 | H77-S81 PolarHBondContact CE1-OG 3.32Å; H77-S81 VanDerWaalsContact CE1-OG 3.25Å; H77-S81 PolarHBondContact NE2-OG 3.22Å; H77-S81 WeakPolarHBondContact O-CB 3.31Å; H77-S81 PolarHBondContact O-N 2.92Å; H77-S81 PolarHBondContact O-OG 3.26Å; D78-S81 PolarHBondContact O-N 3.41Å; S81-I83 PolarHBondContact O-N 3.05Å; S81-L84 PolarHBondContact O-N 3.11Å; S81-L85 WeakPolarHBondContact O-CB 3.27Å; S81-L85 VanDerWaalsContact O-CG 3.24Å; S81-L85 WeakPolarHBondContact O-CG 3.45Å; S81-L85 PolarHBondContact O-N 2.87Å |
| 82 | M | 83.6 | Confident | 88.6 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.7 | -27 | 173.4 | -168.7 | -169.5 | 60.2 | 0 | 0 | 112.5 | L12 K16 D78 I79 L80 Q86 | L12-M82 HydrophobicContact CD1-CE 4.05Å; L12-M82 HydrophobicContact CD2-CE 3.68Å; L12-M82 HydrophobicContact CD2-SD 3.54Å; L12-M82 VanDerWaalsContact CD2-SD 3.54Å; L12-M82 HydrophobicContact CG-CE 3.62Å; L12-M82 HydrophobicContact CG-SD 4.2Å; K16-M82 HydrophobicContact CD-CE 4.12Å; D78-M82 PolarHBondContact O-N 3.24Å; I79-M82 WeakPolarHBondContact O-CB 3.43Å; I79-M82 PolarHBondContact O-N 3.43Å; L80-M82 VanDerWaalsContact C-N 3.3Å; L80-M82 PolarHBondContact O-N 3.04Å; M82-Q86 VanDerWaalsContact O-CG 3.28Å; M82-Q86 WeakPolarHBondContact O-CG 3.41Å; M82-Q86 PolarHBondContact O-N 2.76Å; M82-Q86 VanDerWaalsContact O-N 3.11Å |
| 83 | I | 81.8 | Confident | 88.2 | Confident | 15 Ų | 15 | 78.9 Ų | 78.9 | 8% | 0.077 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.3 | -53.7 | 174.7 | -46.8 | -166.5 | 0 | 0 | 0 | 110.9 | K16 S20 I79 L80 S81 L85 Q86 E87 | K16-I83 HydrophobicContact CD-CB 4.43Å; K16-I83 HydrophobicContact CD-CD1 3.97Å; K16-I83 HydrophobicContact CD-CG1 3.61Å; K16-I83 HydrophobicContact CG-CD1 3.33Å; K16-I83 HydrophobicContact CG-CG1 3.49Å; K16-I83 VanDerWaalsContact CG-CG1 3.49Å; S20-I83 WeakPolarHBondContact OG-CD1 3.5Å; I79-I83 VanDerWaalsContact O-CG1 3.25Å; I79-I83 WeakPolarHBondContact O-CG1 3.41Å; I79-I83 PolarHBondContact O-N 3.28Å; L80-I83 HydrophobicContact CD2-CD1 4.09Å; L80-I83 VanDerWaalsContact O-CB 3.23Å; L80-I83 WeakPolarHBondContact O-CB 3.3Å; L80-I83 WeakPolarHBondContact O-CG1 3.46Å; L80-I83 PolarHBondContact O-N 3.36Å; S81-I83 PolarHBondContact O-N 3.05Å; I83-L85 VanDerWaalsContact C-N 3.25Å; I83-L85 PolarHBondContact O-N 2.94Å; I83-Q86 PolarHBondContact O-N 2.92Å; I83-E87 PolarHBondContact O-N 3.34Å |
| 84 | L | 81.8 | Confident | 88 | Confident | 99 Ų | 99 | 82.6 Ų | 82.6 | 52% | 0.518 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 179.8 | -62.1 | 174.1 | 0 | 0 | 0 | 110.3 | L80 S81 Q86 E87 E88 | L80-L84 PolarHBondContact O-N 3.39Å; S81-L84 PolarHBondContact O-N 3.11Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-Q86 PolarHBondContact O-N 2.9Å; L84-E87 PolarHBondContact O-N 2.9Å; L84-E88 WeakPolarHBondContact O-CB 3.32Å; L84-E88 WeakPolarHBondContact O-CG 3.42Å; L84-E88 PolarHBondContact O-N 3.47Å |
| 85 | L | 86.4 | Confident | 87.7 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 174.5 | -73.9 | 172.8 | 0 | 0 | 0 | 113.4 | S81 I83 L89 G121 V122 V125 | S81-L85 WeakPolarHBondContact O-CB 3.27Å; S81-L85 VanDerWaalsContact O-CG 3.24Å; S81-L85 WeakPolarHBondContact O-CG 3.45Å; S81-L85 PolarHBondContact O-N 2.87Å; I83-L85 VanDerWaalsContact C-N 3.25Å; I83-L85 PolarHBondContact O-N 2.94Å; L85-L89 WeakPolarHBondContact O-CB 3.38Å; L85-L89 PolarHBondContact O-N 2.99Å; L85-G121 VanDerWaalsContact CD2-CA 3.45Å; L85-G121 WeakPolarHBondContact CD2-O 3.35Å; L85-V122 HydrophobicContact CD2-CG2 4.47Å; L85-V125 HydrophobicContact CD1-CG2 3.84Å; L85-V125 HydrophobicContact CD2-CG2 3.66Å; L85-V125 HydrophobicContact CG-CG2 4.45Å |
| 86 | Q | 86 | Confident | 87.6 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.9 | -37.7 | 178.9 | -76.8 | 174.7 | 14.9 | 0 | 0 | 112 | M82 I83 L84 L90 | M82-Q86 VanDerWaalsContact O-CG 3.28Å; M82-Q86 WeakPolarHBondContact O-CG 3.41Å; M82-Q86 PolarHBondContact O-N 2.76Å; M82-Q86 VanDerWaalsContact O-N 3.11Å; I83-Q86 PolarHBondContact O-N 2.92Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-Q86 PolarHBondContact O-N 2.9Å; Q86-L90 WeakPolarHBondContact O-CB 3.45Å; Q86-L90 PolarHBondContact O-N 3.31Å |
| 87 | E | 87.1 | Confident | 87.5 | Confident | 115 Ų | 115 | 75.9 Ų | 75.9 | 54% | 0.537 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66 | -49 | 176.3 | -71 | 170.9 | -178.4 | 0 | 0 | 110.9 | I83 L84 L89 L90 E91 | I83-E87 PolarHBondContact O-N 3.34Å; L84-E87 PolarHBondContact O-N 2.9Å; E87-L89 VanDerWaalsContact C-N 3.33Å; E87-L89 PolarHBondContact O-N 3.39Å; E87-L90 PolarHBondContact O-N 3.28Å; E87-E91 WeakPolarHBondContact O-CB 3.41Å; E87-E91 PolarHBondContact O-N 3.33Å |
| 88 | E | 89.7 | Confident | 87.4 | Confident | 25 Ų | 25 | 70.7 Ų | 70.7 | 12% | 0.117 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 174.9 | -74 | -179.2 | -160 | 0 | 0 | 112 | L84 E91 L92 Y119 P120 G121 V122 | L84-E88 WeakPolarHBondContact O-CB 3.32Å; L84-E88 WeakPolarHBondContact O-CG 3.42Å; L84-E88 PolarHBondContact O-N 3.47Å; E88-E91 PolarHBondContact O-N 3.24Å; E88-L92 VanDerWaalsContact O-CB 3.31Å; E88-L92 WeakPolarHBondContact O-CB 3.31Å; E88-L92 PolarHBondContact O-N 3.15Å; E88-Y119 HydrophobicContact CB-CD1 3.98Å; E88-Y119 HydrophobicContact CG-CD1 4.21Å; E88-Y119 WeakPolarHBondContact OE2-CA 3.41Å; E88-P120 WeakPolarHBondContact OE1-CD 3.02Å; E88-P120 WeakPolarHBondContact OE1-CG 3.49Å; E88-G121 VanDerWaalsContact CD-N 3.34Å; E88-G121 PolarHBondContact OE1-N 3.48Å; E88-G121 WeakPolarHBondContact OE2-CA 3.36Å; E88-G121 PolarHBondContact OE2-N 3.35Å; E88-V122 HydrophobicContact CB-CG2 3.62Å; E88-V122 PolarHBondContact OE2-N 3.2Å |
| 89 | L | 89.3 | Confident | 87.5 | Confident | 81 Ų | 81 | 71.6 Ų | 71.6 | 42% | 0.424 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 178.4 | -175.7 | 66.5 | 0 | 0 | 0 | 111.7 | L85 E87 L92 Q93 V122 | L85-L89 WeakPolarHBondContact O-CB 3.38Å; L85-L89 PolarHBondContact O-N 2.99Å; E87-L89 VanDerWaalsContact C-N 3.33Å; E87-L89 PolarHBondContact O-N 3.39Å; L89-L92 PolarHBondContact O-N 3.43Å; L89-Q93 WeakPolarHBondContact O-CB 3.38Å; L89-Q93 VanDerWaalsContact O-CG 3.26Å; L89-Q93 WeakPolarHBondContact O-CG 3.19Å; L89-Q93 PolarHBondContact O-N 3.03Å; L89-V122 HydrophobicContact CB-CG2 4.43Å |
| 90 | L | 88.6 | Confident | 87.5 | Confident | 99 Ų | 99 | 72.9 Ų | 72.9 | 52% | 0.518 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -45 | 176.9 | -176.9 | 69.1 | 0 | 0 | 0 | 110.5 | Q86 E87 Q93 L94 | Q86-L90 WeakPolarHBondContact O-CB 3.45Å; Q86-L90 PolarHBondContact O-N 3.31Å; E87-L90 PolarHBondContact O-N 3.28Å; L90-Q93 PolarHBondContact O-N 3.02Å; L90-L94 HydrophobicContact CD1-CD1 4.23Å; L90-L94 HydrophobicContact CD1-CG 4.48Å; L90-L94 HydrophobicContact CG-CD1 3.95Å; L90-L94 WeakPolarHBondContact O-CB 3.12Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.17Å; L90-L94 PolarHBondContact O-N 2.93Å |
| 91 | E | 89.7 | Confident | 87.6 | Confident | 104 Ų | 104 | 74 Ų | 74 | 49% | 0.486 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 177.7 | -166.8 | -169.6 | 143.4 | 0 | 0 | 111.6 | E87 E88 Q93 L94 N95 Y119 | E87-E91 WeakPolarHBondContact O-CB 3.41Å; E87-E91 PolarHBondContact O-N 3.33Å; E88-E91 PolarHBondContact O-N 3.24Å; E91-Q93 VanDerWaalsContact C-N 3.29Å; E91-Q93 PolarHBondContact O-N 3.43Å; E91-L94 PolarHBondContact O-N 3.27Å; E91-N95 WeakPolarHBondContact O-CB 3.37Å; E91-N95 PolarHBondContact O-N 3.3Å; E91-Y119 HydrophobicContact CB-CE1 4.08Å; E91-Y119 HydrophobicContact CG-CE1 4.11Å; E91-Y119 PolarHBondContact OE1-OH 2.88Å |
| 92 | L | 87.5 | Confident | 87.6 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 9% | 0.089 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 176.6 | -169.4 | 152 | 0 | 0 | 0 | 111.8 | E88 L89 F109 W110 Y119 | E88-L92 VanDerWaalsContact O-CB 3.31Å; E88-L92 WeakPolarHBondContact O-CB 3.31Å; E88-L92 PolarHBondContact O-N 3.15Å; L89-L92 PolarHBondContact O-N 3.43Å; L92-F109 HydrophobicContact CD1-CE1 4.33Å; L92-F109 HydrophobicContact CD1-CZ 4.09Å; L92-F109 HydrophobicContact CG-CZ 4.48Å; L92-W110 HydrophobicContact CD1-CH2 4.17Å; L92-Y119 HydrophobicContact CB-CE1 4.47Å; L92-Y119 HydrophobicContact CD1-CD2 4.32Å; L92-Y119 HydrophobicContact CD1-CG 4.36Å |
| 93 | Q | 87 | Confident | 87.8 | Confident | 122 Ų | 122 | 76.6 Ų | 76.6 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.2 | -35 | 176.2 | -78.7 | -177.2 | -16 | 0 | 0 | 113.4 | L89 L90 E91 | L89-Q93 WeakPolarHBondContact O-CB 3.38Å; L89-Q93 VanDerWaalsContact O-CG 3.26Å; L89-Q93 WeakPolarHBondContact O-CG 3.19Å; L89-Q93 PolarHBondContact O-N 3.03Å; L90-Q93 PolarHBondContact O-N 3.02Å; E91-Q93 VanDerWaalsContact C-N 3.29Å; E91-Q93 PolarHBondContact O-N 3.43Å |
| 94 | L | 90.4 | Very high | 88.1 | Confident | 127 Ų | 127 | 83.6 Ų | 83.6 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -80.3 | -21.9 | 178.7 | -69.6 | 174.3 | 0 | 0 | 0 | 112.5 | L90 E91 V96 | L90-L94 HydrophobicContact CD1-CD1 4.23Å; L90-L94 HydrophobicContact CD1-CG 4.48Å; L90-L94 HydrophobicContact CG-CD1 3.95Å; L90-L94 WeakPolarHBondContact O-CB 3.12Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.17Å; L90-L94 PolarHBondContact O-N 2.93Å; E91-L94 PolarHBondContact O-N 3.27Å; L94-V96 PolarHBondContact O-N 3.06Å; L94-V96 VanDerWaalsContact O-N 3.11Å |
| 95 | N | 90.2 | Very high | 88.4 | Confident | 49 Ų | 49 | 80 Ų | 80 | 26% | 0.262 | 42% | 0.416 | S | S | . | . | trans | -75.5 | 101.3 | 179.7 | -169.1 | -40.1 | 0 | 0 | 0 | 111.6 | E91 E97 L98 K99 | E91-N95 WeakPolarHBondContact O-CB 3.37Å; E91-N95 PolarHBondContact O-N 3.3Å; N95-E97 VanDerWaalsContact C-N 3.3Å; N95-E97 PolarHBondContact O-N 3.14Å; N95-E97 WeakPolarHBondContact OD1-CB 3.28Å; N95-E97 PolarHBondContact OD1-N 3.17Å; N95-E97 VanDerWaalsContact OD1-N 3.09Å; N95-L98 HydrophobicContact CB-CB 3.98Å; N95-L98 HydrophobicContact CB-CD1 3.89Å; N95-L98 HydrophobicContact CB-CG 4.07Å; N95-L98 VanDerWaalsContact CG-CG 3.44Å; N95-L98 WeakPolarHBondContact ND2-CD1 3.49Å; N95-L98 PolarHBondContact O-N 3.4Å; N95-L98 PolarHBondContact OD1-N 3.07Å; N95-K99 WeakPolarHBondContact O-CB 3.25Å; N95-K99 PolarHBondContact O-N 3.47Å | ||
| 96 | V | 91.4 | Very high | 88.4 | Confident | 117 Ų | 117 | 85.6 Ų | 85.6 | 71% | 0.709 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.2 | -37.8 | -179 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | L94 K99 A100 | L94-V96 PolarHBondContact O-N 3.06Å; L94-V96 VanDerWaalsContact O-N 3.11Å; V96-K99 PolarHBondContact O-N 2.95Å; V96-A100 WeakPolarHBondContact O-CB 3.23Å; V96-A100 PolarHBondContact O-N 2.8Å |
| 97 | E | 90.8 | Very high | 88.4 | Confident | 123 Ų | 123 | 88.7 Ų | 88.7 | 58% | 0.575 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.6 | -47.9 | 179.5 | -171.7 | -164.5 | 141.4 | 0 | 0 | 111 | N95 K99 A100 R101 | N95-E97 VanDerWaalsContact C-N 3.3Å; N95-E97 PolarHBondContact O-N 3.14Å; N95-E97 WeakPolarHBondContact OD1-CB 3.28Å; N95-E97 PolarHBondContact OD1-N 3.17Å; N95-E97 VanDerWaalsContact OD1-N 3.09Å; E97-K99 VanDerWaalsContact C-N 3.28Å; E97-K99 PolarHBondContact O-N 3.31Å; E97-A100 WeakPolarHBondContact O-CB 3.18Å; E97-A100 PolarHBondContact O-N 2.85Å; E97-A100 VanDerWaalsContact O-N 3.16Å; E97-R101 WeakPolarHBondContact O-CG 2.84Å; E97-R101 PolarHBondContact O-N 3.06Å; E97-R101 IonicContact OE1-NH1 2.87Å; E97-R101 PolarHBondContact OE1-NH1 2.98Å |
| 98 | L | 88.3 | Confident | 88.4 | Confident | 10 Ų | 10 | 89.4 Ų | 89.4 | 5% | 0.052 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.1 | -37 | 176.2 | -67.7 | 179.5 | 0 | 0 | 0 | 111.2 | N95 A100 R101 L102 F109 I115 Y119 | N95-L98 HydrophobicContact CB-CB 3.98Å; N95-L98 HydrophobicContact CB-CD1 3.89Å; N95-L98 HydrophobicContact CB-CG 4.07Å; N95-L98 VanDerWaalsContact CG-CG 3.44Å; N95-L98 WeakPolarHBondContact ND2-CD1 3.49Å; N95-L98 PolarHBondContact O-N 3.4Å; N95-L98 PolarHBondContact OD1-N 3.07Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-A100 PolarHBondContact O-N 3.21Å; L98-R101 PolarHBondContact O-N 3.47Å; L98-L102 VanDerWaalsContact O-CB 3.24Å; L98-L102 WeakPolarHBondContact O-CB 3.24Å; L98-L102 PolarHBondContact O-N 2.99Å; L98-F109 HydrophobicContact CB-CE2 4.02Å; L98-F109 HydrophobicContact CB-CZ 4.45Å; L98-F109 HydrophobicContact CD2-CE2 3.93Å; L98-I115 HydrophobicContact CD2-CD1 3.88Å; L98-Y119 HydrophobicContact CD1-CD2 4.49Å; L98-Y119 HydrophobicContact CD1-CE2 3.41Å; L98-Y119 VanDerWaalsContact CD1-CE2 3.41Å; L98-Y119 WeakPolarHBondContact CD1-OH 3.45Å |
| 99 | K | 87.3 | Confident | 88.4 | Confident | 128 Ų | 128 | 88.2 Ų | 88.2 | 56% | 0.557 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 174.1 | -170 | 176.2 | -177.7 | 177.3 | 0 | 112.1 | N95 V96 E97 S103 | N95-K99 WeakPolarHBondContact O-CB 3.25Å; N95-K99 PolarHBondContact O-N 3.47Å; V96-K99 PolarHBondContact O-N 2.95Å; E97-K99 VanDerWaalsContact C-N 3.28Å; E97-K99 PolarHBondContact O-N 3.31Å; K99-S103 WeakPolarHBondContact O-CB 3.44Å; K99-S103 PolarHBondContact O-N 3.46Å; K99-S103 VanDerWaalsContact O-N 3.07Å; K99-S103 PolarHBondContact O-OG 3.43Å |
| 100 | A | 88.2 | Confident | 88.4 | Confident | 49 Ų | 49 | 86.4 Ų | 86.4 | 41% | 0.405 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V96 E97 L98 L102 S103 Q104 | V96-A100 WeakPolarHBondContact O-CB 3.23Å; V96-A100 PolarHBondContact O-N 2.8Å; E97-A100 WeakPolarHBondContact O-CB 3.18Å; E97-A100 PolarHBondContact O-N 2.85Å; E97-A100 VanDerWaalsContact O-N 3.16Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-A100 PolarHBondContact O-N 3.21Å; A100-L102 PolarHBondContact O-N 2.66Å; A100-S103 WeakPolarHBondContact O-CB 3.35Å; A100-S103 PolarHBondContact O-N 3.3Å; A100-S103 VanDerWaalsContact O-N 3.16Å; A100-Q104 WeakPolarHBondContact O-CG 3.23Å; A100-Q104 PolarHBondContact O-N 3.25Å; A100-Q104 VanDerWaalsContact O-N 3.17Å |
| 101 | R | 88.2 | Confident | 88.3 | Confident | 55 Ų | 55 | 88 Ų | 88 | 21% | 0.208 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.7 | -72.4 | 165.1 | 62.1 | 169.9 | 0.4 | 112.2 | E97 L98 S103 Q104 G105 F109 E114 | E97-R101 WeakPolarHBondContact O-CG 2.84Å; E97-R101 PolarHBondContact O-N 3.06Å; E97-R101 IonicContact OE1-NH1 2.87Å; E97-R101 PolarHBondContact OE1-NH1 2.98Å; L98-R101 PolarHBondContact O-N 3.47Å; R101-S103 PolarHBondContact O-N 2.86Å; R101-Q104 WeakPolarHBondContact O-CB 3.3Å; R101-Q104 PolarHBondContact O-N 3.31Å; R101-Q104 VanDerWaalsContact O-N 3.1Å; R101-G105 PolarHBondContact O-N 3.16Å; R101-F109 HydrophobicContact CB-CD2 4.08Å; R101-E114 IonicContact NH2-OE2 3.39Å; R101-E114 PolarHBondContact NH2-OE2 3.39Å |
| 102 | L | 86.7 | Confident | 88.2 | Confident | 36 Ų | 36 | 85.4 Ų | 85.4 | 19% | 0.188 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 175.7 | -174.3 | 68 | 0 | 0 | 0 | 111.1 | L98 A100 Q104 G105 Y106 F109 | L98-L102 VanDerWaalsContact O-CB 3.24Å; L98-L102 WeakPolarHBondContact O-CB 3.24Å; L98-L102 PolarHBondContact O-N 2.99Å; A100-L102 PolarHBondContact O-N 2.66Å; L102-Q104 VanDerWaalsContact C-N 3.28Å; L102-Q104 PolarHBondContact O-N 2.9Å; L102-G105 CarbonylContact O-C 3.56Å; L102-G105 PolarHBondContact O-N 3.35Å; L102-Y106 HydrophobicContact CD1-CD1 3.61Å; L102-Y106 HydrophobicContact CD1-CE1 3.99Å; L102-Y106 HydrophobicContact CD2-CE1 4.38Å; L102-Y106 HydrophobicContact CG-CD1 4.1Å; L102-Y106 HydrophobicContact CG-CE1 3.99Å; L102-F109 HydrophobicContact CB-CD2 4.02Å; L102-F109 HydrophobicContact CB-CE2 4.26Å; L102-F109 HydrophobicContact CB-CG 4.26Å; L102-F109 HydrophobicContact CD1-CB 4.02Å; L102-F109 HydrophobicContact CD1-CD1 3.49Å; L102-F109 VanDerWaalsContact CD1-CD1 3.49Å; L102-F109 HydrophobicContact CD1-CD2 4.21Å; L102-F109 HydrophobicContact CD1-CE1 3.96Å; L102-F109 HydrophobicContact CD1-CG 3.63Å; L102-F109 HydrophobicContact CD1-CZ 4.49Å |
| 103 | S | 88 | Confident | 88.4 | Confident | 99 Ų | 99 | 91.9 Ų | 91.9 | 69% | 0.692 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.2 | -23.9 | 177.3 | -54.8 | 0 | 0 | 0 | 0 | 113.1 | K99 A100 R101 G105 | K99-S103 WeakPolarHBondContact O-CB 3.44Å; K99-S103 PolarHBondContact O-N 3.46Å; K99-S103 VanDerWaalsContact O-N 3.07Å; K99-S103 PolarHBondContact O-OG 3.43Å; A100-S103 WeakPolarHBondContact O-CB 3.35Å; A100-S103 PolarHBondContact O-N 3.3Å; A100-S103 VanDerWaalsContact O-N 3.16Å; R101-S103 PolarHBondContact O-N 2.86Å; S103-G105 VanDerWaalsContact C-N 3.3Å |
| 104 | Q | 88.3 | Confident | 88.5 | Confident | 162 Ų | 162 | 89.7 Ų | 89.7 | 76% | 0.757 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -75.7 | -19.1 | 174.4 | -66.7 | 170.3 | 4 | 0 | 0 | 112.6 | A100 R101 L102 | A100-Q104 WeakPolarHBondContact O-CG 3.23Å; A100-Q104 PolarHBondContact O-N 3.25Å; A100-Q104 VanDerWaalsContact O-N 3.17Å; R101-Q104 WeakPolarHBondContact O-CB 3.3Å; R101-Q104 PolarHBondContact O-N 3.31Å; R101-Q104 VanDerWaalsContact O-N 3.1Å; L102-Q104 VanDerWaalsContact C-N 3.28Å; L102-Q104 PolarHBondContact O-N 2.9Å |
| 105 | G | 88.4 | Confident | 88.4 | Confident | 23 Ų | 23 | 83.7 Ų | 83.7 | 24% | 0.237 | 42% | 0.416 | C | S | . | . | trans | 157.2 | 123 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R101 L102 S103 Q107 Q108 F109 | R101-G105 PolarHBondContact O-N 3.16Å; L102-G105 CarbonylContact O-C 3.56Å; L102-G105 PolarHBondContact O-N 3.35Å; S103-G105 VanDerWaalsContact C-N 3.3Å; G105-Q107 VanDerWaalsContact C-N 3.34Å; G105-Q107 PolarHBondContact O-N 3.37Å; G105-Q108 PolarHBondContact O-N 3.43Å; G105-F109 WeakPolarHBondContact O-CB 3.45Å; G105-F109 PolarHBondContact O-N 2.87Å | ||
| 106 | Y | 86.4 | Confident | 88.4 | Confident | 167 Ų | 167 | 83.2 Ų | 83.2 | 66% | 0.655 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -55.9 | -44 | -179.9 | -63.3 | -76.4 | 0 | 0 | 0 | 113.5 | L102 W110 | L102-Y106 HydrophobicContact CD1-CD1 3.61Å; L102-Y106 HydrophobicContact CD1-CE1 3.99Å; L102-Y106 HydrophobicContact CD2-CE1 4.38Å; L102-Y106 HydrophobicContact CG-CD1 4.1Å; L102-Y106 HydrophobicContact CG-CE1 3.99Å; Y106-W110 WeakPolarHBondContact O-CB 3.44Å; Y106-W110 PolarHBondContact O-N 2.99Å; Y106-W110 VanDerWaalsContact O-N 3.1Å |
| 107 | Q | 85.3 | Confident | 88.3 | Confident | 155 Ų | 155 | 83.3 Ų | 83.3 | 72% | 0.724 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.1 | -45.9 | -178.4 | -68.5 | -180 | -26.1 | 0 | 0 | 111.5 | G105 F109 W110 L111 | G105-Q107 VanDerWaalsContact C-N 3.34Å; G105-Q107 PolarHBondContact O-N 3.37Å; Q107-F109 VanDerWaalsContact C-N 3.35Å; Q107-W110 PolarHBondContact O-N 3.32Å; Q107-L111 WeakPolarHBondContact O-CB 3.29Å; Q107-L111 WeakPolarHBondContact O-CD1 3.14Å; Q107-L111 WeakPolarHBondContact O-CG 3.47Å; Q107-L111 PolarHBondContact O-N 2.9Å; Q107-L111 VanDerWaalsContact O-N 3.14Å |
| 108 | Q | 86.9 | Confident | 88.2 | Confident | 129 Ų | 129 | 84 Ų | 84 | 60% | 0.603 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -67.1 | -39 | -179 | -63.3 | -58.5 | -22.1 | 0 | 0 | 111.5 | G105 L111 Q112 | G105-Q108 PolarHBondContact O-N 3.43Å; Q108-L111 PolarHBondContact O-N 3.46Å; Q108-Q112 WeakPolarHBondContact O-CG 3.25Å; Q108-Q112 PolarHBondContact O-NE2 3.22Å |
| 109 | F | 89.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57 | -54.6 | 174.2 | 178.8 | -93.2 | 0 | 0 | 0 | 111.6 | L92 L98 R101 L102 G105 Q107 L111 Q112 I115 | L92-F109 HydrophobicContact CD1-CE1 4.33Å; L92-F109 HydrophobicContact CD1-CZ 4.09Å; L92-F109 HydrophobicContact CG-CZ 4.48Å; L98-F109 HydrophobicContact CB-CE2 4.02Å; L98-F109 HydrophobicContact CB-CZ 4.45Å; L98-F109 HydrophobicContact CD2-CE2 3.93Å; R101-F109 HydrophobicContact CB-CD2 4.08Å; L102-F109 HydrophobicContact CB-CD2 4.02Å; L102-F109 HydrophobicContact CB-CE2 4.26Å; L102-F109 HydrophobicContact CB-CG 4.26Å; L102-F109 HydrophobicContact CD1-CB 4.02Å; L102-F109 HydrophobicContact CD1-CD1 3.49Å; L102-F109 VanDerWaalsContact CD1-CD1 3.49Å; L102-F109 HydrophobicContact CD1-CD2 4.21Å; L102-F109 HydrophobicContact CD1-CE1 3.96Å; L102-F109 HydrophobicContact CD1-CG 3.63Å; L102-F109 HydrophobicContact CD1-CZ 4.49Å; G105-F109 WeakPolarHBondContact O-CB 3.45Å; G105-F109 PolarHBondContact O-N 2.87Å; Q107-F109 VanDerWaalsContact C-N 3.35Å; F109-L111 PolarHBondContact O-N 3.11Å; F109-Q112 WeakPolarHBondContact O-CB 3.34Å; F109-Q112 PolarHBondContact O-N 2.89Å; F109-Q112 PolarHBondContact O-OE1 3.4Å; F109-I115 HydrophobicContact CD2-CD1 4.46Å; F109-I115 HydrophobicContact CE1-CD1 4.09Å; F109-I115 HydrophobicContact CE1-CG1 4.25Å; F109-I115 HydrophobicContact CE1-CG2 4.15Å; F109-I115 HydrophobicContact CE2-CD1 3.76Å; F109-I115 HydrophobicContact CE2-CG1 4.42Å; F109-I115 HydrophobicContact CZ-CD1 3.55Å; F109-I115 HydrophobicContact CZ-CG1 4.18Å; F109-I115 WeakPolarHBondContact O-CG1 3.39Å |
| 110 | W | 88.5 | Confident | 88.4 | Confident | 44 Ų | 44 | 81 Ų | 81 | 17% | 0.167 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -72.1 | -14 | -175.5 | -75.6 | 122.2 | 0 | 0 | 0 | 114.4 | L92 Y106 Q107 I115 V122 W123 V126 | L92-W110 HydrophobicContact CD1-CH2 4.17Å; Y106-W110 WeakPolarHBondContact O-CB 3.44Å; Y106-W110 PolarHBondContact O-N 2.99Å; Y106-W110 VanDerWaalsContact O-N 3.1Å; Q107-W110 PolarHBondContact O-N 3.32Å; W110-I115 HydrophobicContact CE3-CG2 3.53Å; W110-I115 HydrophobicContact CH2-CG2 4.48Å; W110-I115 HydrophobicContact CZ3-CG2 3.43Å; W110-I115 VanDerWaalsContact CZ3-CG2 3.43Å; W110-V122 HydrophobicContact CH2-CG1 3.6Å; W110-V122 HydrophobicContact CZ3-CG1 4.26Å; W110-W123 HydrophobicContact CB-CZ3 3.88Å; W110-W123 HydrophobicContact CD2-CE3 4.43Å; W110-W123 HydrophobicContact CD2-CZ3 4.39Å; W110-W123 AromaticContact CE3-CE3 3.58Å; W110-W123 HydrophobicContact CE3-CE3 3.58Å; W110-W123 AromaticContact CE3-CZ3 3.93Å; W110-W123 HydrophobicContact CE3-CZ3 3.93Å; W110-W123 HydrophobicContact CG-CZ3 4.4Å; W110-W123 HydrophobicContact CZ3-CE3 4.21Å; W110-W123 WeakPolarHBondContact O-CH2 3.49Å; W110-W123 WeakPolarHBondContact O-CZ3 3.3Å; W110-V126 HydrophobicContact CD2-CG1 4.06Å; W110-V126 HydrophobicContact CD2-CG2 4.49Å; W110-V126 HydrophobicContact CE3-CG1 4.42Å; W110-V126 HydrophobicContact CG-CG1 4.32Å; W110-V126 HydrophobicContact CH2-CG2 3.85Å; W110-V126 HydrophobicContact CZ2-CG2 3.76Å; W110-V126 HydrophobicContact CZ3-CG2 4.21Å |
| 111 | L | 87.1 | Confident | 88.3 | Confident | 133 Ų | 133 | 79.5 Ų | 79.5 | 70% | 0.696 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -7 | 175.6 | -71.7 | 172.2 | 0 | 0 | 0 | 113.6 | Q107 Q108 F109 | Q107-L111 WeakPolarHBondContact O-CB 3.29Å; Q107-L111 WeakPolarHBondContact O-CD1 3.14Å; Q107-L111 WeakPolarHBondContact O-CG 3.47Å; Q107-L111 PolarHBondContact O-N 2.9Å; Q107-L111 VanDerWaalsContact O-N 3.14Å; Q108-L111 PolarHBondContact O-N 3.46Å; F109-L111 PolarHBondContact O-N 3.11Å |
| 112 | Q | 88.4 | Confident | 88.3 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | trans | -68.3 | 138.1 | 177.7 | -74.1 | 154.8 | 7.8 | 0 | 0 | 110.8 | Q108 F109 E114 I115 P116 | Q108-Q112 WeakPolarHBondContact O-CG 3.25Å; Q108-Q112 PolarHBondContact O-NE2 3.22Å; F109-Q112 WeakPolarHBondContact O-CB 3.34Å; F109-Q112 PolarHBondContact O-N 2.89Å; F109-Q112 PolarHBondContact O-OE1 3.4Å; Q112-E114 PolarHBondContact O-N 3.42Å; Q112-I115 HydrophobicContact CB-CG1 3.97Å; Q112-I115 PolarHBondContact O-N 2.87Å; Q112-P116 WeakPolarHBondContact O-CD 3.2Å | ||
| 113 | K | 90.6 | Very high | 88.5 | Confident | 153 Ų | 153 | 79 Ų | 79 | 67% | 0.665 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30.9 | -177.4 | -171 | -177.5 | 175.2 | -163.5 | 0 | 112 | I115 P116 E117 | K113-I115 VanDerWaalsContact C-N 3.31Å; K113-I115 PolarHBondContact O-N 2.92Å; K113-P116 WeakPolarHBondContact O-CD 3.47Å; K113-E117 WeakPolarHBondContact CE-OE1 3.49Å; K113-E117 IonicContact NZ-OE1 3.95Å; K113-E117 WeakPolarHBondContact O-CG 3.46Å |
| 114 | E | 89.6 | Confident | 88.5 | Confident | 77 Ų | 77 | 77.9 Ų | 77.9 | 36% | 0.36 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 179.3 | -51.7 | 87.2 | -122 | 0 | 0 | 112.5 | R101 Q112 E117 F118 | R101-E114 IonicContact NH2-OE2 3.39Å; R101-E114 PolarHBondContact NH2-OE2 3.39Å; Q112-E114 PolarHBondContact O-N 3.42Å; E114-E117 PolarHBondContact O-N 3.28Å; E114-E117 VanDerWaalsContact O-N 3.16Å; E114-F118 HydrophobicContact CB-CD2 3.81Å; E114-F118 HydrophobicContact CB-CE2 3.82Å; E114-F118 HydrophobicContact CG-CE2 4.41Å; E114-F118 WeakPolarHBondContact O-CD2 3.12Å; E114-F118 PolarHBondContact O-N 2.98Å |
| 115 | I | 88.9 | Confident | 88.4 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -47.9 | -171.5 | -60.1 | -59.5 | 0 | 0 | 0 | 112.4 | L98 F109 W110 Q112 K113 E117 Y119 | L98-I115 HydrophobicContact CD2-CD1 3.88Å; F109-I115 HydrophobicContact CD2-CD1 4.46Å; F109-I115 HydrophobicContact CE1-CD1 4.09Å; F109-I115 HydrophobicContact CE1-CG1 4.25Å; F109-I115 HydrophobicContact CE1-CG2 4.15Å; F109-I115 HydrophobicContact CE2-CD1 3.76Å; F109-I115 HydrophobicContact CE2-CG1 4.42Å; F109-I115 HydrophobicContact CZ-CD1 3.55Å; F109-I115 HydrophobicContact CZ-CG1 4.18Å; F109-I115 WeakPolarHBondContact O-CG1 3.39Å; W110-I115 HydrophobicContact CE3-CG2 3.53Å; W110-I115 HydrophobicContact CH2-CG2 4.48Å; W110-I115 HydrophobicContact CZ3-CG2 3.43Å; W110-I115 VanDerWaalsContact CZ3-CG2 3.43Å; Q112-I115 HydrophobicContact CB-CG1 3.97Å; Q112-I115 PolarHBondContact O-N 2.87Å; K113-I115 VanDerWaalsContact C-N 3.31Å; K113-I115 PolarHBondContact O-N 2.92Å; I115-E117 PolarHBondContact O-N 3.5Å; I115-Y119 HydrophobicContact CD1-CD2 4.4Å; I115-Y119 WeakPolarHBondContact O-CA 3.42Å; I115-Y119 PolarHBondContact O-N 3.3Å |
| 116 | P | 88.7 | Confident | 88.3 | Confident | 39 Ų | 39 | 73.7 Ų | 73.7 | 25% | 0.253 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61 | -27.3 | 171.5 | -26.2 | 35.3 | 0 | 0 | 0 | 114.8 | Q112 K113 P120 W123 | Q112-P116 WeakPolarHBondContact O-CD 3.2Å; K113-P116 WeakPolarHBondContact O-CD 3.47Å; P116-P120 WeakPolarHBondContact O-CA 3.33Å; P116-W123 HydrophobicContact CB-CD2 4.39Å; P116-W123 HydrophobicContact CB-CG 3.93Å; P116-W123 HydrophobicContact CG-CD2 3.88Å; P116-W123 HydrophobicContact CG-CG 3.93Å; P116-W123 HydrophobicContact CG-CZ2 4.21Å |
| 117 | E | 89.4 | Confident | 88.3 | Confident | 119 Ų | 119 | 71.4 Ų | 71.4 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -79.6 | -42.5 | -178.6 | -70 | 178.1 | 179.7 | 0 | 0 | 111.5 | K113 E114 I115 | K113-E117 WeakPolarHBondContact CE-OE1 3.49Å; K113-E117 IonicContact NZ-OE1 3.95Å; K113-E117 WeakPolarHBondContact O-CG 3.46Å; E114-E117 PolarHBondContact O-N 3.28Å; E114-E117 VanDerWaalsContact O-N 3.16Å; I115-E117 PolarHBondContact O-N 3.5Å |
| 118 | F | 89 | Confident | 88.4 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -85 | -33.3 | 179.9 | -68.8 | -62.5 | 0 | 0 | 0 | 113.8 | E114 P120 | E114-F118 HydrophobicContact CB-CD2 3.81Å; E114-F118 HydrophobicContact CB-CE2 3.82Å; E114-F118 HydrophobicContact CG-CE2 4.41Å; E114-F118 WeakPolarHBondContact O-CD2 3.12Å; E114-F118 PolarHBondContact O-N 2.98Å; F118-P120 WeakPolarHBondContact O-CD 3.47Å |
| 119 | Y | 90.4 | Very high | 88.2 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | trans | -126.9 | 59.4 | -175.7 | -51.6 | -71.8 | 0 | 0 | 0 | 111.3 | E88 E91 L92 L98 I115 G121 V122 W123 | E88-Y119 HydrophobicContact CB-CD1 3.98Å; E88-Y119 HydrophobicContact CG-CD1 4.21Å; E88-Y119 WeakPolarHBondContact OE2-CA 3.41Å; E91-Y119 HydrophobicContact CB-CE1 4.08Å; E91-Y119 HydrophobicContact CG-CE1 4.11Å; E91-Y119 PolarHBondContact OE1-OH 2.88Å; L92-Y119 HydrophobicContact CB-CE1 4.47Å; L92-Y119 HydrophobicContact CD1-CD2 4.32Å; L92-Y119 HydrophobicContact CD1-CG 4.36Å; L98-Y119 HydrophobicContact CD1-CD2 4.49Å; L98-Y119 HydrophobicContact CD1-CE2 3.41Å; L98-Y119 VanDerWaalsContact CD1-CE2 3.41Å; L98-Y119 WeakPolarHBondContact CD1-OH 3.45Å; I115-Y119 HydrophobicContact CD1-CD2 4.4Å; I115-Y119 WeakPolarHBondContact O-CA 3.42Å; I115-Y119 PolarHBondContact O-N 3.3Å; Y119-G121 VanDerWaalsContact C-N 3.31Å; Y119-G121 PolarHBondContact O-N 3.3Å; Y119-V122 PolarHBondContact O-N 3.21Å; Y119-W123 WeakPolarHBondContact O-CB 3.43Å; Y119-W123 PolarHBondContact O-N 2.89Å | ||
| 120 | P | 88.8 | Confident | 87.9 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 44% | 0.442 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -36.1 | -173.8 | 25.4 | -34.8 | 0 | 0 | 0 | 112.9 | E88 P116 F118 S124 | E88-P120 WeakPolarHBondContact OE1-CD 3.02Å; E88-P120 WeakPolarHBondContact OE1-CG 3.49Å; P116-P120 WeakPolarHBondContact O-CA 3.33Å; F118-P120 WeakPolarHBondContact O-CD 3.47Å; P120-S124 VanDerWaalsContact O-CB 3.3Å; P120-S124 WeakPolarHBondContact O-CB 3.36Å; P120-S124 PolarHBondContact O-N 2.74Å |
| 121 | G | 87.7 | Confident | 87.6 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 19% | 0.186 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.5 | -57.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L85 E88 Y119 W123 S124 V125 | L85-G121 VanDerWaalsContact CD2-CA 3.45Å; L85-G121 WeakPolarHBondContact CD2-O 3.35Å; E88-G121 VanDerWaalsContact CD-N 3.34Å; E88-G121 PolarHBondContact OE1-N 3.48Å; E88-G121 WeakPolarHBondContact OE2-CA 3.36Å; E88-G121 PolarHBondContact OE2-N 3.35Å; Y119-G121 VanDerWaalsContact C-N 3.31Å; Y119-G121 PolarHBondContact O-N 3.3Å; G121-W123 VanDerWaalsContact C-N 3.25Å; G121-W123 PolarHBondContact O-N 2.87Å; G121-S124 WeakPolarHBondContact O-CB 3.44Å; G121-S124 PolarHBondContact O-N 3.11Å; G121-V125 PolarHBondContact O-N 2.94Å |
| 122 | V | 88.2 | Confident | 87.5 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 10% | 0.097 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.5 | -41.1 | -178 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | L85 E88 L89 W110 Y119 S124 V125 V126 | L85-V122 HydrophobicContact CD2-CG2 4.47Å; E88-V122 HydrophobicContact CB-CG2 3.62Å; E88-V122 PolarHBondContact OE2-N 3.2Å; L89-V122 HydrophobicContact CB-CG2 4.43Å; W110-V122 HydrophobicContact CH2-CG1 3.6Å; W110-V122 HydrophobicContact CZ3-CG1 4.26Å; Y119-V122 PolarHBondContact O-N 3.21Å; V122-S124 PolarHBondContact O-N 3.16Å; V122-V125 PolarHBondContact O-N 3.39Å; V122-V126 HydrophobicContact CG1-CG2 4.43Å; V122-V126 WeakPolarHBondContact O-CG2 3.4Å; V122-V126 PolarHBondContact O-N 2.97Å |
| 123 | W | 89.8 | Confident | 87.2 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 25% | 0.25 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 174 | 174.7 | -120.5 | 0 | 0 | 0 | 112.7 | W110 P116 Y119 G121 V125 V126 K127 | W110-W123 HydrophobicContact CB-CZ3 3.88Å; W110-W123 HydrophobicContact CD2-CE3 4.43Å; W110-W123 HydrophobicContact CD2-CZ3 4.39Å; W110-W123 AromaticContact CE3-CE3 3.58Å; W110-W123 HydrophobicContact CE3-CE3 3.58Å; W110-W123 AromaticContact CE3-CZ3 3.93Å; W110-W123 HydrophobicContact CE3-CZ3 3.93Å; W110-W123 HydrophobicContact CG-CZ3 4.4Å; W110-W123 HydrophobicContact CZ3-CE3 4.21Å; W110-W123 WeakPolarHBondContact O-CH2 3.49Å; W110-W123 WeakPolarHBondContact O-CZ3 3.3Å; P116-W123 HydrophobicContact CB-CD2 4.39Å; P116-W123 HydrophobicContact CB-CG 3.93Å; P116-W123 HydrophobicContact CG-CD2 3.88Å; P116-W123 HydrophobicContact CG-CG 3.93Å; P116-W123 HydrophobicContact CG-CZ2 4.21Å; Y119-W123 WeakPolarHBondContact O-CB 3.43Å; Y119-W123 PolarHBondContact O-N 2.89Å; G121-W123 VanDerWaalsContact C-N 3.25Å; G121-W123 PolarHBondContact O-N 2.87Å; W123-V125 VanDerWaalsContact C-N 3.3Å; W123-V125 PolarHBondContact O-N 3.08Å; W123-V126 PolarHBondContact O-N 3.3Å; W123-K127 VanDerWaalsContact O-CB 3.23Å; W123-K127 WeakPolarHBondContact O-CB 3.49Å; W123-K127 PolarHBondContact O-N 3.49Å |
| 124 | S | 88 | Confident | 86.7 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 52% | 0.517 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 177.5 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | P120 G121 V122 K127 S128 | P120-S124 VanDerWaalsContact O-CB 3.3Å; P120-S124 WeakPolarHBondContact O-CB 3.36Å; P120-S124 PolarHBondContact O-N 2.74Å; G121-S124 WeakPolarHBondContact O-CB 3.44Å; G121-S124 PolarHBondContact O-N 3.11Å; V122-S124 PolarHBondContact O-N 3.16Å; S124-K127 PolarHBondContact O-N 3.31Å; S124-S128 WeakPolarHBondContact O-CB 3.27Å; S124-S128 PolarHBondContact O-N 3.44Å |
| 125 | V | 86.4 | Confident | 86.3 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 39% | 0.394 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -49.4 | 176.6 | 174 | 0 | 0 | 0 | 0 | 111.2 | L85 G121 V122 W123 K127 S128 I129 | L85-V125 HydrophobicContact CD1-CG2 3.84Å; L85-V125 HydrophobicContact CD2-CG2 3.66Å; L85-V125 HydrophobicContact CG-CG2 4.45Å; G121-V125 PolarHBondContact O-N 2.94Å; V122-V125 PolarHBondContact O-N 3.39Å; W123-V125 VanDerWaalsContact C-N 3.3Å; W123-V125 PolarHBondContact O-N 3.08Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 2.96Å; V125-S128 WeakPolarHBondContact O-CB 3.28Å; V125-S128 PolarHBondContact O-N 3.48Å; V125-I129 HydrophobicContact CG1-CD1 3.88Å; V125-I129 WeakPolarHBondContact O-CG1 3.47Å; V125-I129 PolarHBondContact O-N 3.23Å |
| 126 | V | 86.6 | Confident | 85.9 | Confident | 33 Ų | 33 | 74.4 Ų | 74.4 | 20% | 0.2 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 178.7 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | W110 V122 W123 S128 I129 V130 | W110-V126 HydrophobicContact CD2-CG1 4.06Å; W110-V126 HydrophobicContact CD2-CG2 4.49Å; W110-V126 HydrophobicContact CE3-CG1 4.42Å; W110-V126 HydrophobicContact CG-CG1 4.32Å; W110-V126 HydrophobicContact CH2-CG2 3.85Å; W110-V126 HydrophobicContact CZ2-CG2 3.76Å; W110-V126 HydrophobicContact CZ3-CG2 4.21Å; V122-V126 HydrophobicContact CG1-CG2 4.43Å; V122-V126 WeakPolarHBondContact O-CG2 3.4Å; V122-V126 PolarHBondContact O-N 2.97Å; W123-V126 PolarHBondContact O-N 3.3Å; V126-S128 PolarHBondContact O-N 2.86Å; V126-I129 PolarHBondContact O-N 3.5Å; V126-V130 HydrophobicContact CG1-CG2 4.44Å; V126-V130 WeakPolarHBondContact O-CG2 3.36Å; V126-V130 PolarHBondContact O-N 3Å |
| 127 | K | 87 | Confident | 85.2 | Confident | 119 Ų | 119 | 79 Ų | 79 | 52% | 0.517 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.7 | -46 | 177 | -174.7 | 179.6 | -179.8 | -176.9 | 0 | 111.1 | W123 S124 V125 I129 V130 T131 | W123-K127 VanDerWaalsContact O-CB 3.23Å; W123-K127 WeakPolarHBondContact O-CB 3.49Å; W123-K127 PolarHBondContact O-N 3.49Å; S124-K127 PolarHBondContact O-N 3.31Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 2.96Å; K127-I129 VanDerWaalsContact C-N 3.35Å; K127-I129 PolarHBondContact O-N 3.45Å; K127-V130 PolarHBondContact O-N 3.39Å; K127-T131 WeakPolarHBondContact O-CG2 3.45Å; K127-T131 PolarHBondContact O-N 3.32Å; K127-T131 PolarHBondContact O-OG1 2.89Å; K127-T131 VanDerWaalsContact O-OG1 3.07Å |
| 128 | S | 86.2 | Confident | 84.2 | Confident | 56 Ų | 56 | 82 Ų | 82 | 39% | 0.392 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 176.7 | -168.4 | 0 | 0 | 0 | 0 | 111.4 | S124 V125 V126 V130 T131 D132 | S124-S128 WeakPolarHBondContact O-CB 3.27Å; S124-S128 PolarHBondContact O-N 3.44Å; V125-S128 WeakPolarHBondContact O-CB 3.28Å; V125-S128 PolarHBondContact O-N 3.48Å; V126-S128 PolarHBondContact O-N 2.86Å; S128-V130 VanDerWaalsContact C-N 3.35Å; S128-V130 PolarHBondContact O-N 2.9Å; S128-T131 VanDerWaalsContact CA-OG1 3.3Å; S128-T131 WeakPolarHBondContact CA-OG1 3.37Å; S128-T131 PolarHBondContact O-N 2.91Å; S128-T131 PolarHBondContact O-OG1 3.25Å; S128-D132 WeakPolarHBondContact O-CB 3.29Å; S128-D132 PolarHBondContact O-N 3.41Å |
| 129 | I | 82.6 | Confident | 83.4 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 46% | 0.462 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 178.6 | -67.6 | 165.6 | 0 | 0 | 0 | 110.6 | V125 V126 K127 D132 L133 | V125-I129 HydrophobicContact CG1-CD1 3.88Å; V125-I129 WeakPolarHBondContact O-CG1 3.47Å; V125-I129 PolarHBondContact O-N 3.23Å; V126-I129 PolarHBondContact O-N 3.5Å; K127-I129 VanDerWaalsContact C-N 3.35Å; K127-I129 PolarHBondContact O-N 3.45Å; I129-D132 PolarHBondContact O-N 3.16Å; I129-L133 HydrophobicContact CG2-CD1 3.95Å; I129-L133 HydrophobicContact CG2-CG 4.45Å; I129-L133 WeakPolarHBondContact O-CB 3.34Å; I129-L133 VanDerWaalsContact O-CG 3.25Å; I129-L133 WeakPolarHBondContact O-CG 3.29Å; I129-L133 PolarHBondContact O-N 3.34Å |
| 130 | V | 84.4 | Confident | 82.7 | Confident | 75 Ų | 75 | 84.6 Ų | 84.6 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | V126 K127 S128 L133 L134 | V126-V130 HydrophobicContact CG1-CG2 4.44Å; V126-V130 WeakPolarHBondContact O-CG2 3.36Å; V126-V130 PolarHBondContact O-N 3Å; K127-V130 PolarHBondContact O-N 3.39Å; S128-V130 VanDerWaalsContact C-N 3.35Å; S128-V130 PolarHBondContact O-N 2.9Å; V130-L133 PolarHBondContact O-N 2.78Å; V130-L134 HydrophobicContact CG1-CD1 4.12Å; V130-L134 VanDerWaalsContact O-CG 3.27Å; V130-L134 WeakPolarHBondContact O-CG 3.36Å; V130-L134 PolarHBondContact O-N 3.41Å |
| 131 | T | 83 | Confident | 81.4 | Confident | 62 Ų | 62 | 86 Ų | 86 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 176.7 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | K127 S128 L134 T135 | K127-T131 WeakPolarHBondContact O-CG2 3.45Å; K127-T131 PolarHBondContact O-N 3.32Å; K127-T131 PolarHBondContact O-OG1 2.89Å; K127-T131 VanDerWaalsContact O-OG1 3.07Å; S128-T131 VanDerWaalsContact CA-OG1 3.3Å; S128-T131 WeakPolarHBondContact CA-OG1 3.37Å; S128-T131 PolarHBondContact O-N 2.91Å; S128-T131 PolarHBondContact O-OG1 3.25Å; T131-L134 PolarHBondContact O-N 2.98Å; T131-T135 VanDerWaalsContact O-CG2 3.31Å; T131-T135 WeakPolarHBondContact O-CG2 3.21Å; T131-T135 PolarHBondContact O-N 3.12Å; T131-T135 PolarHBondContact O-OG1 2.96Å |
| 132 | D | 83.2 | Confident | 80.4 | Confident | 77 Ų | 77 | 89.4 Ų | 89.4 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 178.2 | -71.4 | -20.6 | 0 | 0 | 0 | 112 | S128 I129 T135 K136 | S128-D132 WeakPolarHBondContact O-CB 3.29Å; S128-D132 PolarHBondContact O-N 3.41Å; I129-D132 PolarHBondContact O-N 3.16Å; D132-T135 WeakPolarHBondContact CA-OG1 3.44Å; D132-T135 PolarHBondContact O-OG1 2.97Å; D132-K136 VanDerWaalsContact O-CB 3.27Å; D132-K136 WeakPolarHBondContact O-CB 3.32Å; D132-K136 WeakPolarHBondContact O-CG 3.35Å; D132-K136 PolarHBondContact O-N 3.21Å |
| 133 | L | 82.8 | Confident | 79.4 | Confident | 109 Ų | 109 | 94.6 Ų | 94.6 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 173 | -74.1 | 169.1 | 0 | 0 | 0 | 111.2 | I129 V130 K137 | I129-L133 HydrophobicContact CG2-CD1 3.95Å; I129-L133 HydrophobicContact CG2-CG 4.45Å; I129-L133 WeakPolarHBondContact O-CB 3.34Å; I129-L133 VanDerWaalsContact O-CG 3.25Å; I129-L133 WeakPolarHBondContact O-CG 3.29Å; I129-L133 PolarHBondContact O-N 3.34Å; V130-L133 PolarHBondContact O-N 2.78Å; L133-K137 VanDerWaalsContact O-CB 3.24Å; L133-K137 WeakPolarHBondContact O-CB 3.02Å; L133-K137 PolarHBondContact O-N 3.43Å |
| 134 | L | 80 | Confident | 78.3 | Confident | 112 Ų | 112 | 95.1 Ų | 95.1 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.4 | -41.9 | 177.7 | -71.4 | 173.3 | 0 | 0 | 0 | 111.9 | V130 T131 R138 | V130-L134 HydrophobicContact CG1-CD1 4.12Å; V130-L134 VanDerWaalsContact O-CG 3.27Å; V130-L134 WeakPolarHBondContact O-CG 3.36Å; V130-L134 PolarHBondContact O-N 3.41Å; T131-L134 PolarHBondContact O-N 2.98Å; L134-R138 VanDerWaalsContact O-CB 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.41Å; L134-R138 PolarHBondContact O-N 3.47Å |
| 135 | T | 80.6 | Confident | 76.9 | Confident | 75 Ų | 75 | 99.7 Ų | 99.7 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | T131 D132 K137 R138 S139 | T131-T135 VanDerWaalsContact O-CG2 3.31Å; T131-T135 WeakPolarHBondContact O-CG2 3.21Å; T131-T135 PolarHBondContact O-N 3.12Å; T131-T135 PolarHBondContact O-OG1 2.96Å; D132-T135 WeakPolarHBondContact CA-OG1 3.44Å; D132-T135 PolarHBondContact O-OG1 2.97Å; T135-K137 PolarHBondContact O-N 2.91Å; T135-R138 WeakPolarHBondContact O-CB 3.38Å; T135-R138 PolarHBondContact O-N 3.01Å; T135-S139 PolarHBondContact O-N 3.17Å; T135-S139 PolarHBondContact O-OG 3.48Å; T135-S139 VanDerWaalsContact O-OG 3.12Å |
| 136 | K | 80.7 | Confident | 75.9 | Confident | 147 Ų | 147 | 102.1 Ų | 102.1 | 64% | 0.639 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.5 | -47 | 175.1 | -76.1 | 175.4 | -178.8 | 176.7 | 0 | 112.1 | D132 R138 S139 Q140 | D132-K136 VanDerWaalsContact O-CB 3.27Å; D132-K136 WeakPolarHBondContact O-CB 3.32Å; D132-K136 WeakPolarHBondContact O-CG 3.35Å; D132-K136 PolarHBondContact O-N 3.21Å; K136-R138 VanDerWaalsContact C-N 3.28Å; K136-R138 PolarHBondContact O-N 3.32Å; K136-S139 PolarHBondContact O-N 3.02Å; K136-Q140 PolarHBondContact O-N 2.88Å |
| 137 | K | 75.4 | Confident | 74.6 | Confident | 135 Ų | 135 | 102 Ų | 102 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -36.8 | 177.1 | -169.1 | 172.8 | -176.2 | 174.3 | 0 | 111.5 | L133 T135 Q140 L141 | L133-K137 VanDerWaalsContact O-CB 3.24Å; L133-K137 WeakPolarHBondContact O-CB 3.02Å; L133-K137 PolarHBondContact O-N 3.43Å; T135-K137 PolarHBondContact O-N 2.91Å; K137-Q140 PolarHBondContact O-N 3.29Å; K137-L141 WeakPolarHBondContact O-CB 3.49Å; K137-L141 VanDerWaalsContact O-CG 3.3Å; K137-L141 WeakPolarHBondContact O-CG 3.34Å; K137-L141 PolarHBondContact O-N 3.27Å |
| 138 | R | 66.7 | Low | 73.4 | Confident | 182 Ų | 182 | 100.8 Ų | 100.8 | 69% | 0.687 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -44.2 | 175.1 | -161.2 | -179.6 | -150.6 | 171.2 | 5.5 | 111.9 | L134 T135 K136 Q140 L141 Q142 | L134-R138 VanDerWaalsContact O-CB 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.41Å; L134-R138 PolarHBondContact O-N 3.47Å; T135-R138 WeakPolarHBondContact O-CB 3.38Å; T135-R138 PolarHBondContact O-N 3.01Å; K136-R138 VanDerWaalsContact C-N 3.28Å; K136-R138 PolarHBondContact O-N 3.32Å; R138-Q140 VanDerWaalsContact C-N 3.32Å; R138-Q140 PolarHBondContact O-N 2.82Å; R138-L141 PolarHBondContact O-N 2.89Å; R138-Q142 WeakPolarHBondContact O-CG 3.35Å; R138-Q142 PolarHBondContact O-N 3.39Å |
| 139 | S | 73.6 | Confident | 72 | Confident | 69 Ų | 69 | 102.6 Ų | 102.6 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.6 | -61 | 0 | 0 | 0 | 0 | 111.6 | T135 K136 Q142 I143 | T135-S139 PolarHBondContact O-N 3.17Å; T135-S139 PolarHBondContact O-OG 3.48Å; T135-S139 VanDerWaalsContact O-OG 3.12Å; K136-S139 PolarHBondContact O-N 3.02Å; S139-Q142 PolarHBondContact O-N 3.43Å; S139-I143 WeakPolarHBondContact O-CG1 3.36Å; S139-I143 PolarHBondContact O-N 3.22Å |
| 140 | Q | 74.3 | Confident | 70.7 | Confident | 128 Ų | 128 | 107.9 Ų | 107.9 | 60% | 0.598 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.2 | -45.5 | 174.7 | -170.2 | -178.4 | 12.4 | 0 | 0 | 111.8 | K136 K137 R138 Q142 I143 V144 | K136-Q140 PolarHBondContact O-N 2.88Å; K137-Q140 PolarHBondContact O-N 3.29Å; R138-Q140 VanDerWaalsContact C-N 3.32Å; R138-Q140 PolarHBondContact O-N 2.82Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å; Q140-Q142 PolarHBondContact O-N 3.11Å; Q140-I143 PolarHBondContact O-N 3.45Å; Q140-V144 WeakPolarHBondContact O-CG2 3.44Å; Q140-V144 PolarHBondContact O-N 3.09Å |
| 141 | L | 63.2 | Low | 69.2 | Low | 98 Ų | 98 | 110.2 Ų | 110.2 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -36.4 | 176.5 | -74.6 | 169.3 | 0 | 0 | 0 | 112.6 | K137 R138 R145 | K137-L141 WeakPolarHBondContact O-CB 3.49Å; K137-L141 VanDerWaalsContact O-CG 3.3Å; K137-L141 WeakPolarHBondContact O-CG 3.34Å; K137-L141 PolarHBondContact O-N 3.27Å; R138-L141 PolarHBondContact O-N 2.89Å; L141-R145 WeakPolarHBondContact O-CB 3.06Å; L141-R145 WeakPolarHBondContact O-CG 3.42Å; L141-R145 PolarHBondContact O-N 3.35Å |
| 142 | Q | 66.1 | Low | 67.7 | Low | 90 Ų | 90 | 117 Ų | 117 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.2 | -44.7 | 174.7 | -69.1 | -68 | -1.2 | 0 | 0 | 111.5 | R138 S139 Q140 V144 R145 H146 | R138-Q142 WeakPolarHBondContact O-CG 3.35Å; R138-Q142 PolarHBondContact O-N 3.39Å; S139-Q142 PolarHBondContact O-N 3.43Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å; Q140-Q142 PolarHBondContact O-N 3.11Å; Q142-V144 VanDerWaalsContact C-N 3.33Å; Q142-V144 PolarHBondContact O-N 3.39Å; Q142-R145 PolarHBondContact O-N 2.68Å; Q142-H146 WeakPolarHBondContact O-CB 3.44Å; Q142-H146 PolarHBondContact O-CD2 3.16Å; Q142-H146 PolarHBondContact O-N 2.83Å |
| 143 | I | 66.8 | Low | 66.1 | Low | 125 Ų | 125 | 117.4 Ų | 117.4 | 64% | 0.641 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.1 | -44.7 | 176 | -67.6 | 165.2 | 0 | 0 | 0 | 110.6 | S139 Q140 H146 G147 | S139-I143 WeakPolarHBondContact O-CG1 3.36Å; S139-I143 PolarHBondContact O-N 3.22Å; Q140-I143 PolarHBondContact O-N 3.45Å; I143-H146 PolarHBondContact O-N 3.08Å; I143-G147 PolarHBondContact O-N 3.48Å |
| 144 | V | 66.4 | Low | 64.3 | Low | 76 Ų | 76 | 117 Ų | 117 | 46% | 0.461 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.9 | -46.3 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | Q140 Q142 H146 G147 D148 | Q140-V144 WeakPolarHBondContact O-CG2 3.44Å; Q140-V144 PolarHBondContact O-N 3.09Å; Q142-V144 VanDerWaalsContact C-N 3.33Å; Q142-V144 PolarHBondContact O-N 3.39Å; V144-H146 PolarHBondContact O-N 3.07Å; V144-G147 PolarHBondContact O-N 3.37Å; V144-D148 WeakPolarHBondContact O-CB 3.44Å; V144-D148 PolarHBondContact O-N 3.34Å |
| 145 | R | 58.8 | Low | 62.9 | Low | 170 Ų | 170 | 116.8 Ų | 116.8 | 64% | 0.642 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.7 | -40.9 | 176.8 | -77.5 | -179.1 | 175.7 | -170.1 | -1.2 | 113 | L141 Q142 L149 | L141-R145 WeakPolarHBondContact O-CB 3.06Å; L141-R145 WeakPolarHBondContact O-CG 3.42Å; L141-R145 PolarHBondContact O-N 3.35Å; Q142-R145 PolarHBondContact O-N 2.68Å; R145-L149 WeakPolarHBondContact O-CB 3.49Å; R145-L149 VanDerWaalsContact O-CG 3.26Å; R145-L149 WeakPolarHBondContact O-CG 3.44Å; R145-L149 PolarHBondContact O-N 3.03Å |
| 146 | H | 64.6 | Low | 61.6 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.1 | -35.2 | 176.6 | -76.5 | -63.8 | 0 | 0 | 0 | 112.6 | Q142 I143 V144 L149 R150 | Q142-H146 WeakPolarHBondContact O-CB 3.44Å; Q142-H146 PolarHBondContact O-CD2 3.16Å; Q142-H146 PolarHBondContact O-N 2.83Å; I143-H146 PolarHBondContact O-N 3.08Å; V144-H146 PolarHBondContact O-N 3.07Å; H146-L149 PolarHBondContact O-N 2.88Å; H146-R150 PolarHBondContact O-N 2.88Å |
| 147 | G | 61 | Low | 60.5 | Low | 31 Ų | 31 | 120.5 Ų | 120.5 | 32% | 0.32 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.2 | -45.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I143 V144 L149 R150 L151 | I143-G147 PolarHBondContact O-N 3.48Å; V144-G147 PolarHBondContact O-N 3.37Å; G147-L149 VanDerWaalsContact C-N 3.3Å; G147-L149 PolarHBondContact O-N 3.01Å; G147-R150 WeakPolarHBondContact O-CA 3.43Å; G147-R150 WeakPolarHBondContact O-CB 3.3Å; G147-R150 PolarHBondContact O-N 3.39Å; G147-L151 PolarHBondContact O-N 3.37Å |
| 148 | D | 60.8 | Low | 59.4 | Low | 93 Ų | 93 | 118.7 Ų | 118.7 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.6 | -37.6 | 174 | -84.4 | 1.3 | 0 | 0 | 0 | 111.7 | V144 L151 R152 | V144-D148 WeakPolarHBondContact O-CB 3.44Å; V144-D148 PolarHBondContact O-N 3.34Å; D148-L151 PolarHBondContact O-N 2.95Å; D148-R152 WeakPolarHBondContact O-CG 3.45Å; D148-R152 PolarHBondContact O-N 3.06Å |
| 149 | L | 56.2 | Low | 59.2 | Low | 94 Ų | 94 | 115 Ų | 115 | 49% | 0.492 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65 | -39.3 | 171.3 | -75.5 | 168.6 | 0 | 0 | 0 | 111.7 | R145 H146 G147 L151 R152 V153 | R145-L149 WeakPolarHBondContact O-CB 3.49Å; R145-L149 VanDerWaalsContact O-CG 3.26Å; R145-L149 WeakPolarHBondContact O-CG 3.44Å; R145-L149 PolarHBondContact O-N 3.03Å; H146-L149 PolarHBondContact O-N 2.88Å; G147-L149 VanDerWaalsContact C-N 3.3Å; G147-L149 PolarHBondContact O-N 3.01Å; L149-L151 VanDerWaalsContact C-N 3.35Å; L149-R152 CarbonylContact O-C 3.53Å; L149-R152 PolarHBondContact O-N 3.28Å; L149-V153 WeakPolarHBondContact O-CB 3.45Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.48Å; L149-V153 PolarHBondContact O-N 3.43Å |
| 150 | R | 55.9 | Low | 58.7 | Low | 201 Ų | 201 | 117.2 Ų | 117.2 | 76% | 0.758 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.3 | -43 | 173.2 | -83.6 | -176.4 | 175.3 | -170.5 | -1.3 | 111.5 | H146 G147 R152 V153 T154 | H146-R150 PolarHBondContact O-N 2.88Å; G147-R150 WeakPolarHBondContact O-CA 3.43Å; G147-R150 WeakPolarHBondContact O-CB 3.3Å; G147-R150 PolarHBondContact O-N 3.39Å; R150-R152 VanDerWaalsContact C-N 3.28Å; R150-R152 PolarHBondContact O-N 2.95Å; R150-V153 CarbonylContact O-C 3.59Å; R150-V153 PolarHBondContact O-N 3.47Å; R150-V153 VanDerWaalsContact O-N 3.12Å; R150-T154 WeakPolarHBondContact O-CG2 3.44Å; R150-T154 PolarHBondContact O-N 2.88Å; R150-T154 PolarHBondContact O-OG1 3.24Å |
| 151 | L | 52.9 | Low | 58.7 | Low | 124 Ų | 124 | 116.9 Ų | 116.9 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.9 | -32.3 | 175.1 | -69.2 | 175.4 | 0 | 0 | 0 | 112.4 | G147 D148 L149 T154 | G147-L151 PolarHBondContact O-N 3.37Å; D148-L151 PolarHBondContact O-N 2.95Å; L149-L151 VanDerWaalsContact C-N 3.35Å; L151-T154 WeakPolarHBondContact CA-OG1 3.48Å; L151-T154 PolarHBondContact O-OG1 3.31Å |
| 152 | R | 52.4 | Low | 59 | Low | 205 Ų | 205 | 121.3 Ų | 121.3 | 77% | 0.774 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.9 | -26.9 | 172 | -76.8 | -177.3 | 138.8 | -160.6 | -5.7 | 113.6 | D148 L149 R150 | D148-R152 WeakPolarHBondContact O-CG 3.45Å; D148-R152 PolarHBondContact O-N 3.06Å; L149-R152 CarbonylContact O-C 3.53Å; L149-R152 PolarHBondContact O-N 3.28Å; R150-R152 VanDerWaalsContact C-N 3.28Å; R150-R152 PolarHBondContact O-N 2.95Å |
| 153 | V | 48.3 | Very low | 58.8 | Low | 86 Ų | 86 | 122.2 Ų | 122.2 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -85.3 | -20 | 177 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | L149 R150 S155 I156 | L149-V153 WeakPolarHBondContact O-CB 3.45Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.48Å; L149-V153 PolarHBondContact O-N 3.43Å; R150-V153 CarbonylContact O-C 3.59Å; R150-V153 PolarHBondContact O-N 3.47Å; R150-V153 VanDerWaalsContact O-N 3.12Å; V153-S155 PolarHBondContact O-N 2.84Å; V153-S155 VanDerWaalsContact O-N 3.16Å; V153-I156 HydrophobicContact CG1-CD1 3.97Å; V153-I156 WeakPolarHBondContact O-CB 3.48Å; V153-I156 WeakPolarHBondContact O-CG1 3.41Å; V153-I156 PolarHBondContact O-N 3.08Å |
| 154 | T | 45.7 | Very low | 59 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 61% | 0.613 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 0.4 | 176.3 | 46.3 | 0 | 0 | 0 | 0 | 115.1 | R150 L151 I156 | R150-T154 WeakPolarHBondContact O-CG2 3.44Å; R150-T154 PolarHBondContact O-N 2.88Å; R150-T154 PolarHBondContact O-OG1 3.24Å; L151-T154 WeakPolarHBondContact CA-OG1 3.48Å; L151-T154 PolarHBondContact O-OG1 3.31Å; T154-I156 PolarHBondContact O-N 3.36Å |
| 155 | S | 50.8 | Low | 59.3 | Low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -4.2 | 163.2 | -50.4 | 0 | 0 | 0 | 0 | 112.9 | V153 E157 | V153-S155 PolarHBondContact O-N 2.84Å; V153-S155 VanDerWaalsContact O-N 3.16Å; S155-E157 PolarHBondContact O-N 3.05Å |
| 156 | I | 53.2 | Low | 59.8 | Low | 128 Ų | 128 | 119 Ų | 119 | 66% | 0.656 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -79.4 | 80 | 165.3 | -52.8 | 176.5 | 0 | 0 | 0 | 106.3 | V153 T154 P158 | V153-I156 HydrophobicContact CG1-CD1 3.97Å; V153-I156 WeakPolarHBondContact O-CB 3.48Å; V153-I156 WeakPolarHBondContact O-CG1 3.41Å; V153-I156 PolarHBondContact O-N 3.08Å; T154-I156 PolarHBondContact O-N 3.36Å; I156-P158 VanDerWaalsContact O-CD 3.23Å; I156-P158 WeakPolarHBondContact O-CD 3.33Å |
| 157 | E | 56.8 | Low | 59.7 | Low | 172 Ų | 172 | 120.2 Ų | 120.2 | 80% | 0.804 | 62% | 0.615 | S | S | * | * | trans | -53.1 | 111.8 | 168.4 | -164.4 | 170.6 | -154.9 | 0 | 0 | 107.2 | S155 N159 | S155-E157 PolarHBondContact O-N 3.05Å; E157-N159 PolarHBondContact O-N 2.96Å; E157-N159 VanDerWaalsContact O-N 3.12Å | ||
| 158 | P | 53.1 | Low | 59.5 | Low | 97 Ų | 97 | 124.9 Ų | 124.9 | 63% | 0.63 | 63% | 0.632 | S | S | * | * | trans | -62.9 | 122.9 | 179.9 | 24.1 | -29.8 | 0 | 0 | 0 | 106.8 | I156 I160 | I156-P158 VanDerWaalsContact O-CD 3.23Å; I156-P158 WeakPolarHBondContact O-CD 3.33Å; P158-I160 VanDerWaalsContact C-N 3.26Å; P158-I160 VanDerWaalsContact O-CG1 3.24Å; P158-I160 WeakPolarHBondContact O-CG1 3.42Å; P158-I160 PolarHBondContact O-N 3.04Å | ||
| 159 | N | 62.5 | Low | 59.2 | Low | 103 Ų | 103 | 123.5 Ų | 123.5 | 55% | 0.551 | 64% | 0.639 | S | S | * | * | trans | -67 | 88.3 | -179.4 | -173.5 | -36.8 | 0 | 0 | 0 | 109.2 | E157 D161 R162 L163 | E157-N159 PolarHBondContact O-N 2.96Å; E157-N159 VanDerWaalsContact O-N 3.12Å; N159-D161 PolarHBondContact O-N 3.24Å; N159-D161 PolarHBondContact OD1-N 3.25Å; N159-R162 HydrophobicContact CB-CB 4.24Å; N159-R162 PolarHBondContact O-N 3.12Å; N159-R162 WeakPolarHBondContact OD1-CB 3.33Å; N159-R162 PolarHBondContact OD1-N 3.38Å; N159-L163 PolarHBondContact O-N 3.13Å | ||
| 160 | I | 63.7 | Low | 59.2 | Low | 117 Ų | 117 | 127.4 Ų | 127.4 | 60% | 0.6 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.7 | -37.6 | -176.3 | -52.8 | -174.8 | 0 | 0 | 0 | 109.6 | P158 R162 L163 V164 | P158-I160 VanDerWaalsContact C-N 3.26Å; P158-I160 VanDerWaalsContact O-CG1 3.24Å; P158-I160 WeakPolarHBondContact O-CG1 3.42Å; P158-I160 PolarHBondContact O-N 3.04Å; I160-R162 VanDerWaalsContact C-N 3.28Å; I160-R162 PolarHBondContact O-N 3.49Å; I160-L163 WeakPolarHBondContact O-CB 3.28Å; I160-L163 PolarHBondContact O-N 3.28Å; I160-V164 HydrophobicContact CG2-CG2 4.23Å; I160-V164 WeakPolarHBondContact O-CG2 3.44Å; I160-V164 PolarHBondContact O-N 2.9Å |
| 161 | D | 73.8 | Confident | 59 | Low | 120 Ų | 120 | 123.8 Ų | 123.8 | 64% | 0.642 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -59.1 | -40.5 | 178.9 | -63.3 | -41.1 | 0 | 0 | 0 | 111.8 | N159 L163 V164 Q165 | N159-D161 PolarHBondContact O-N 3.24Å; N159-D161 PolarHBondContact OD1-N 3.25Å; D161-L163 VanDerWaalsContact C-N 3.31Å; D161-L163 PolarHBondContact O-N 3.2Å; D161-V164 PolarHBondContact O-N 3.01Å; D161-Q165 WeakPolarHBondContact O-CB 3.43Å; D161-Q165 WeakPolarHBondContact O-CG 3.45Å; D161-Q165 PolarHBondContact O-N 3.28Å |
| 162 | R | 70 | Confident | 59 | Low | 192 Ų | 192 | 122.9 Ų | 122.9 | 73% | 0.725 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.7 | -35 | 177.5 | -152.9 | -178.8 | -177.7 | -176.5 | 0.6 | 112.2 | N159 I160 S166 | N159-R162 HydrophobicContact CB-CB 4.24Å; N159-R162 PolarHBondContact O-N 3.12Å; N159-R162 WeakPolarHBondContact OD1-CB 3.33Å; N159-R162 PolarHBondContact OD1-N 3.38Å; I160-R162 VanDerWaalsContact C-N 3.28Å; I160-R162 PolarHBondContact O-N 3.49Å; R162-S166 PolarHBondContact O-N 3.13Å |
| 163 | L | 60.7 | Low | 58.9 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 57% | 0.571 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.5 | -46 | 175.9 | -151.8 | 95.1 | 0 | 0 | 0 | 110.6 | N159 I160 D161 S166 H167 | N159-L163 PolarHBondContact O-N 3.13Å; I160-L163 WeakPolarHBondContact O-CB 3.28Å; I160-L163 PolarHBondContact O-N 3.28Å; D161-L163 VanDerWaalsContact C-N 3.31Å; D161-L163 PolarHBondContact O-N 3.2Å; L163-S166 PolarHBondContact O-N 3.47Å; L163-S166 PolarHBondContact O-OG 2.94Å; L163-H167 PolarHBondContact O-CD2 3.22Å; L163-H167 PolarHBondContact O-N 3.38Å |
| 164 | V | 70.7 | Confident | 58.6 | Low | 69 Ų | 69 | 123.6 Ų | 123.6 | 42% | 0.418 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -63.1 | -45.8 | 179.3 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I160 D161 S166 H167 L168 | I160-V164 HydrophobicContact CG2-CG2 4.23Å; I160-V164 WeakPolarHBondContact O-CG2 3.44Å; I160-V164 PolarHBondContact O-N 2.9Å; D161-V164 PolarHBondContact O-N 3.01Å; V164-S166 VanDerWaalsContact C-N 3.3Å; V164-S166 PolarHBondContact O-N 2.99Å; V164-H167 PolarHBondContact O-N 3.23Å; V164-L168 HydrophobicContact CG1-CD1 3.67Å; V164-L168 HydrophobicContact CG1-CG 4.27Å; V164-L168 WeakPolarHBondContact O-CG 3.43Å; V164-L168 PolarHBondContact O-N 3.45Å |
| 165 | Q | 73.7 | Confident | 58.7 | Low | 154 Ų | 154 | 133.7 Ų | 133.7 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -62.5 | -35.3 | 177.3 | -74.6 | -174.4 | 1 | 0 | 0 | 112.8 | D161 H167 | D161-Q165 WeakPolarHBondContact O-CB 3.43Å; D161-Q165 WeakPolarHBondContact O-CG 3.45Å; D161-Q165 PolarHBondContact O-N 3.28Å; Q165-H167 VanDerWaalsContact C-N 3.28Å; Q165-H167 PolarHBondContact O-N 3.25Å |
| 166 | S | 69.8 | Low | 59.1 | Low | 79 Ų | 79 | 135 Ų | 135 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -71.1 | -22.8 | 178.7 | 74.2 | 0 | 0 | 0 | 0 | 113.9 | R162 L163 V164 | R162-S166 PolarHBondContact O-N 3.13Å; L163-S166 PolarHBondContact O-N 3.47Å; L163-S166 PolarHBondContact O-OG 2.94Å; V164-S166 VanDerWaalsContact C-N 3.3Å; V164-S166 PolarHBondContact O-N 2.99Å |
| 167 | H | 62.5 | Low | 59.4 | Low | 143 Ų | 143 | 135.3 Ų | 135.3 | 66% | 0.662 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -99.1 | -23 | -179.3 | -71.3 | -37.5 | 0 | 0 | 0 | 113.8 | L163 V164 Q165 G169 | L163-H167 PolarHBondContact O-CD2 3.22Å; L163-H167 PolarHBondContact O-N 3.38Å; V164-H167 PolarHBondContact O-N 3.23Å; Q165-H167 VanDerWaalsContact C-N 3.28Å; Q165-H167 PolarHBondContact O-N 3.25Å; H167-G169 PolarHBondContact O-N 3.44Å |
| 168 | L | 57.1 | Low | 59.6 | Low | 129 Ų | 129 | 133.3 Ų | 133.3 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -81.4 | 67.2 | 168.5 | -63.8 | 177 | 0 | 0 | 0 | 109 | V164 E170 | V164-L168 HydrophobicContact CG1-CD1 3.67Å; V164-L168 HydrophobicContact CG1-CG 4.27Å; V164-L168 WeakPolarHBondContact O-CG 3.43Å; V164-L168 PolarHBondContact O-N 3.45Å; L168-E170 PolarHBondContact O-N 3.11Å |
| 169 | G | 52.9 | Low | 60 | Low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 70% | 0.703 | S | S | * | * | trans | -48.2 | 137.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | H167 | H167-G169 PolarHBondContact O-N 3.44Š| ||
| 170 | E | 56.6 | Low | 59.8 | Low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | trans | -48 | 133 | -170 | -64.9 | 179.6 | 152.4 | 0 | 0 | 112.7 | L168 S172 | L168-E170 PolarHBondContact O-N 3.11Å; E170-S172 PolarHBondContact O-N 2.6Å | ||
| 171 | P | 52.8 | Low | 59.6 | Low | 125 Ų | 125 | 138.8 Ų | 138.8 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | trans | -63 | 113.3 | 179.6 | 24.9 | -30.8 | 0 | 0 | 0 | 108.7 | S173 | P171-S173 PolarHBondContact O-N 3.28Š| ||
| 172 | S | 52 | Low | 58.5 | Low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -59.2 | 100.2 | 177 | -41.3 | 0 | 0 | 0 | 0 | 108.9 | E170 F174 | E170-S172 PolarHBondContact O-N 2.6Å; S172-F174 VanDerWaalsContact C-N 3.32Å; S172-F174 PolarHBondContact O-N 3.2Å | ||
| 173 | S | 50.2 | Low | 57.7 | Low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | -65.9 | 89.8 | 169.7 | 161.3 | 0 | 0 | 0 | 0 | 108.9 | P171 | P171-S173 PolarHBondContact O-N 3.28Š| ||
| 174 | F | 42.8 | Very low | 57.4 | Low | 197 Ų | 197 | 138.4 Ų | 138.4 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | -121.2 | 88.3 | 163.7 | -85.7 | -80.5 | 0 | 0 | 0 | 109.4 | S172 | S172-F174 VanDerWaalsContact C-N 3.32Å; S172-F174 PolarHBondContact O-N 3.2Å | ||
| 175 | R | 47.7 | Very low | 56.2 | Low | 311 Ų | 311 | 144.7 Ų | 144.7 | 100% | 1.174 | 77% | 0.767 | S | S | * | * | trans | -162.9 | 0 | 139.6 | -147.6 | 174.9 | -163.4 | 165 | 4.7 | 110 |
Retrieved 175 of 175 residues in 55.5 ms
(Link to these results)