| 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 | 41.2 | Very low | 43.2 | Very low | 243 Ų | 243 | 161.7 Ų | 161.7 | 100% | 1.197 | 80% | 0.804 | S | S | * | * | 0 | 90.4 | 0 | -146.6 | 175.5 | -168.6 | 0 | 0 | 107.2 | N3 | M1-N3 PolarHBondContact O-N 3.05Š| |||
| 2 | F | 45.9 | Very low | 44.3 | Very low | 212 Ų | 212 | 160.4 Ų | 160.4 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -68.7 | 100.1 | 176.6 | -81.8 | -86.1 | 0 | 0 | 0 | 107.2 | Q4 | F2-Q4 PolarHBondContact O-N 3.18Š| ||
| 3 | N | 47.1 | Very low | 45.7 | Very low | 150 Ų | 150 | 153.8 Ų | 153.8 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -63.3 | 90.2 | 167.6 | -168.8 | 9.2 | 0 | 0 | 0 | 105.7 | M1 K5 | M1-N3 PolarHBondContact O-N 3.05Å; N3-K5 PolarHBondContact O-N 3.28Å | ||
| 4 | Q | 46.5 | Very low | 48 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | trans | -55.1 | 102.7 | 166.7 | -80.1 | -154.3 | -22.7 | 0 | 0 | 105.1 | F2 K6 | F2-Q4 PolarHBondContact O-N 3.18Å; Q4-K6 PolarHBondContact O-N 2.97Å | ||
| 5 | K | 42.2 | Very low | 50.2 | Low | 199 Ų | 199 | 143.4 Ų | 143.4 | 87% | 0.865 | 73% | 0.729 | S | S | * | * | trans | -51.1 | 95.6 | 159.2 | -90.9 | -177 | 173.6 | -177.4 | 0 | 104.3 | N3 A7 | N3-K5 PolarHBondContact O-N 3.28Å; K5-A7 PolarHBondContact O-N 2.95Å | ||
| 6 | K | 38.8 | Very low | 52.4 | Low | 191 Ų | 191 | 143.6 Ų | 143.6 | 83% | 0.83 | 72% | 0.724 | S | S | * | * | trans | -48.9 | 114.7 | 170.6 | -77.6 | 177.7 | 176 | 177.3 | 0 | 104 | Q4 H8 | Q4-K6 PolarHBondContact O-N 2.97Å; K6-H8 VanDerWaalsContact C-N 3.3Å; K6-H8 PolarHBondContact O-N 2.89Å | ||
| 7 | A | 41.3 | Very low | 54.5 | Low | 91 Ų | 91 | 139.8 Ų | 139.8 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -46.4 | 107.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 105 | K5 K9 | K5-A7 PolarHBondContact O-N 2.95Å; A7-K9 PolarHBondContact O-N 3.39Å | ||
| 8 | H | 38.4 | Very low | 56.2 | Low | 160 Ų | 160 | 133.1 Ų | 133.1 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | trans | -59.6 | 100.5 | -180 | -178.4 | -72.3 | 0 | 0 | 0 | 103.3 | K6 E10 | K6-H8 VanDerWaalsContact C-N 3.3Å; K6-H8 PolarHBondContact O-N 2.89Å; H8-E10 PolarHBondContact O-N 3.39Å | ||
| 9 | K | 37.1 | Very low | 57.8 | Low | 196 Ų | 196 | 128.2 Ų | 128.2 | 85% | 0.852 | 65% | 0.646 | S | S | * | * | trans | -59.2 | 96.9 | 168.9 | -75.8 | -176.6 | 175.9 | -176.2 | 0 | 102.8 | A7 G11 | A7-K9 PolarHBondContact O-N 3.39Å; K9-G11 PolarHBondContact O-N 2.85Å | ||
| 10 | E | 48.9 | Very low | 59.4 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 56% | 0.556 | 64% | 0.639 | S | S | * | * | trans | -51.1 | 96.4 | 171.4 | -74.9 | 177.9 | 148.3 | 0 | 0 | 104.4 | H8 T12 | H8-E10 PolarHBondContact O-N 3.39Å; E10-T12 PolarHBondContact O-N 3.49Å; E10-T12 VanDerWaalsContact O-N 3.17Å | ||
| 11 | G | 47.3 | Very low | 60.9 | Low | 53 Ų | 53 | 123.6 Ų | 123.6 | 55% | 0.546 | 62% | 0.62 | S | S | . | * | trans | -56.3 | 127 | -173.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | K9 K13 | K9-G11 PolarHBondContact O-N 2.85Å; G11-K13 VanDerWaalsContact C-N 3.27Å; G11-K13 PolarHBondContact O-N 3.44Å | ||
| 12 | T | 56.5 | Low | 63.2 | Low | 146 Ų | 146 | 112 Ų | 112 | 90% | 0.896 | 56% | 0.563 | S | S | * | * | trans | -40.4 | 89.4 | -174.8 | -43.6 | 0 | 0 | 0 | 0 | 110 | E10 S14 | E10-T12 PolarHBondContact O-N 3.49Å; E10-T12 VanDerWaalsContact O-N 3.17Å; T12-S14 PolarHBondContact O-N 3.35Å | ||
| 13 | K | 63.1 | Low | 65.4 | Low | 75 Ų | 75 | 104.1 Ų | 104.1 | 33% | 0.326 | 53% | 0.532 | S | S | . | . | trans | -62.9 | 132.3 | 178.4 | -77.1 | -174.8 | 178.2 | -177.5 | 0 | 105.1 | G11 E15 L17 I18 E21 D98 | G11-K13 VanDerWaalsContact C-N 3.27Å; G11-K13 PolarHBondContact O-N 3.44Å; K13-E15 PolarHBondContact O-N 3.46Å; K13-L17 HydrophobicContact CG-CD2 4.5Å; K13-I18 HydrophobicContact CB-CD1 3.93Å; K13-I18 HydrophobicContact CB-CG1 3.63Å; K13-I18 HydrophobicContact CD-CG1 4.3Å; K13-E21 IonicContact NZ-OE1 3.88Å; K13-E21 IonicContact NZ-OE2 3.76Å; K13-E21 PolarHBondContact NZ-OE2 2.85Å; K13-D98 IonicContact NZ-OD2 2.74Å | ||
| 14 | S | 77.3 | Confident | 67.6 | Low | 74 Ų | 74 | 104.8 Ų | 104.8 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | trans | -58.7 | 135.4 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | T12 K16 L17 I18 | T12-S14 PolarHBondContact O-N 3.35Å; S14-K16 PolarHBondContact O-N 3.11Å; S14-L17 WeakPolarHBondContact O-CA 3.22Å; S14-L17 VanDerWaalsContact O-CB 3.31Å; S14-L17 WeakPolarHBondContact O-CB 3.06Å; S14-L17 PolarHBondContact O-N 2.96Å; S14-I18 PolarHBondContact O-N 3.25Å | ||
| 15 | E | 82 | Confident | 69.7 | Low | 77 Ų | 77 | 97.7 Ų | 97.7 | 36% | 0.36 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -47.4 | -37.4 | 176.5 | -66.2 | -60.6 | 136.6 | 0 | 0 | 112.4 | K13 L17 I18 H19 L92 A95 | K13-E15 PolarHBondContact O-N 3.46Å; E15-L17 PolarHBondContact O-N 2.98Å; E15-I18 PolarHBondContact O-N 2.9Å; E15-H19 WeakPolarHBondContact O-CB 3.36Å; E15-H19 PolarHBondContact O-N 3.07Å; E15-L92 HydrophobicContact CB-CD2 4.23Å; E15-L92 WeakPolarHBondContact O-CD2 3.48Å; E15-A95 HydrophobicContact CB-CB 4.41Å; E15-A95 VanDerWaalsContact O-CB 3.25Å; E15-A95 WeakPolarHBondContact O-CB 3.38Å; E15-A95 VanDerWaalsContact OE2-CB 3.25Å; E15-A95 WeakPolarHBondContact OE2-CB 3.27Å; E15-A95 PolarHBondContact OE2-N 3.39Å |
| 16 | K | 85.2 | Confident | 72.2 | Confident | 147 Ų | 147 | 89.2 Ų | 89.2 | 64% | 0.639 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.8 | -41.4 | 176.1 | -65.3 | -176.2 | -179.3 | 179.7 | 0 | 112.7 | S14 E20 L92 | S14-K16 PolarHBondContact O-N 3.11Å; K16-E20 PolarHBondContact O-N 3.35Å; K16-L92 HydrophobicContact CG-CD2 4.32Å |
| 17 | L | 87.3 | Confident | 74.9 | Confident | 79 Ų | 79 | 85.1 Ų | 85.1 | 41% | 0.414 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 178 | -177.8 | 66.6 | 0 | 0 | 0 | 110.6 | K13 S14 E15 H19 E20 E21 | K13-L17 HydrophobicContact CG-CD2 4.5Å; S14-L17 WeakPolarHBondContact O-CA 3.22Å; S14-L17 VanDerWaalsContact O-CB 3.31Å; S14-L17 WeakPolarHBondContact O-CB 3.06Å; S14-L17 PolarHBondContact O-N 2.96Å; E15-L17 PolarHBondContact O-N 2.98Å; L17-H19 VanDerWaalsContact C-N 3.29Å; L17-H19 PolarHBondContact O-N 3.42Å; L17-E20 PolarHBondContact O-N 2.73Å; L17-E21 HydrophobicContact CD1-CG 4.49Å; L17-E21 WeakPolarHBondContact O-CB 3.48Å; L17-E21 WeakPolarHBondContact O-CG 3.33Å; L17-E21 PolarHBondContact O-N 3.42Å |
| 18 | I | 85.5 | Confident | 77.5 | Confident | 18 Ų | 18 | 86.6 Ų | 86.6 | 9% | 0.092 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.3 | -46.2 | 175.7 | -63.3 | 174 | 0 | 0 | 0 | 110.2 | K13 S14 E15 E20 E21 N22 A95 D98 | K13-I18 HydrophobicContact CB-CD1 3.93Å; K13-I18 HydrophobicContact CB-CG1 3.63Å; K13-I18 HydrophobicContact CD-CG1 4.3Å; S14-I18 PolarHBondContact O-N 3.25Å; E15-I18 PolarHBondContact O-N 2.9Å; I18-E20 PolarHBondContact O-N 2.91Å; I18-E21 PolarHBondContact O-N 2.69Å; I18-N22 VanDerWaalsContact O-CB 3.3Å; I18-N22 WeakPolarHBondContact O-CB 3.3Å; I18-N22 PolarHBondContact O-N 2.96Å; I18-A95 HydrophobicContact CB-CB 3.79Å; I18-A95 HydrophobicContact CG2-CB 3.63Å; I18-D98 HydrophobicContact CG2-CB 3.55Å |
| 19 | H | 87.1 | Confident | 80.2 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 19% | 0.19 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 179 | -178.5 | 56.8 | 0 | 0 | 0 | 112.3 | E15 L17 N22 V23 Y82 L92 A95 | E15-H19 WeakPolarHBondContact O-CB 3.36Å; E15-H19 PolarHBondContact O-N 3.07Å; L17-H19 VanDerWaalsContact C-N 3.29Å; L17-H19 PolarHBondContact O-N 3.42Å; H19-N22 PolarHBondContact O-N 2.92Å; H19-V23 VanDerWaalsContact O-CG2 3.29Å; H19-V23 WeakPolarHBondContact O-CG2 3.44Å; H19-V23 PolarHBondContact O-N 3.05Å; H19-Y82 PolarHBondContact NE2-OH 3.45Å; H19-L92 HydrophobicContact CB-CD2 3.72Å; H19-A95 HydrophobicContact CB-CB 3.96Å |
| 20 | E | 89.5 | Confident | 83 | Confident | 108 Ų | 108 | 75.3 Ų | 75.3 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 177.2 | -168.2 | -171.1 | 151.4 | 0 | 0 | 111.7 | K16 L17 I18 V23 R24 | K16-E20 PolarHBondContact O-N 3.35Å; L17-E20 PolarHBondContact O-N 2.73Å; I18-E20 PolarHBondContact O-N 2.91Å; E20-V23 PolarHBondContact O-N 2.9Å; E20-R24 WeakPolarHBondContact O-CB 3.25Å; E20-R24 PolarHBondContact O-N 2.95Å; E20-R24 IonicContact OE1-NH2 2.95Å; E20-R24 PolarHBondContact OE1-NH2 3.3Å |
| 21 | E | 90 | Very high | 85.3 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 176.5 | -75 | -177.2 | 179.7 | 0 | 0 | 111.3 | K13 L17 I18 V23 R24 T25 | K13-E21 IonicContact NZ-OE1 3.88Å; K13-E21 IonicContact NZ-OE2 3.76Å; K13-E21 PolarHBondContact NZ-OE2 2.85Å; L17-E21 HydrophobicContact CD1-CG 4.49Å; L17-E21 WeakPolarHBondContact O-CB 3.48Å; L17-E21 WeakPolarHBondContact O-CG 3.33Å; L17-E21 PolarHBondContact O-N 3.42Å; I18-E21 PolarHBondContact O-N 2.69Å; E21-V23 PolarHBondContact O-N 3.49Å; E21-R24 PolarHBondContact O-N 2.83Å; E21-T25 WeakPolarHBondContact O-CB 3.15Å; E21-T25 PolarHBondContact O-N 3.42Å; E21-T25 PolarHBondContact O-OG1 2.89Å |
| 22 | N | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 176.8 | -84 | -9.3 | 0 | 0 | 0 | 112.2 | I18 H19 R24 T25 L26 A78 L97 L99 | I18-N22 VanDerWaalsContact O-CB 3.3Å; I18-N22 WeakPolarHBondContact O-CB 3.3Å; I18-N22 PolarHBondContact O-N 2.96Å; H19-N22 PolarHBondContact O-N 2.92Å; N22-R24 VanDerWaalsContact C-N 3.32Å; N22-R24 PolarHBondContact O-N 3.28Å; N22-T25 PolarHBondContact O-N 3.43Å; N22-L26 WeakPolarHBondContact O-CG 3.23Å; N22-L26 PolarHBondContact O-N 3.39Å; N22-A78 HydrophobicContact CB-CB 4.04Å; N22-L97 PolarHBondContact ND2-O 2.9Å; N22-L99 WeakPolarHBondContact OD1-CB 3.44Å; N22-L99 PolarHBondContact OD1-N 2.85Å |
| 23 | V | 91 | Very high | 89.4 | Confident | 46 Ų | 46 | 69.3 Ų | 69.3 | 28% | 0.279 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 177.8 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | H19 E20 E21 K27 | H19-V23 VanDerWaalsContact O-CG2 3.29Å; H19-V23 WeakPolarHBondContact O-CG2 3.44Å; H19-V23 PolarHBondContact O-N 3.05Å; E20-V23 PolarHBondContact O-N 2.9Å; E21-V23 PolarHBondContact O-N 3.49Å; V23-K27 HydrophobicContact CG1-CD 4.22Å; V23-K27 WeakPolarHBondContact O-CB 3.25Å; V23-K27 WeakPolarHBondContact O-CG 3.43Å; V23-K27 PolarHBondContact O-N 3.04Å |
| 24 | R | 93.4 | Very high | 90.9 | Very high | 164 Ų | 164 | 68.9 Ų | 68.9 | 62% | 0.619 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.3 | -46 | 176.5 | -170.6 | -178.5 | -65.5 | -169.8 | 2.1 | 111 | E20 E21 N22 K27 F28 | E20-R24 WeakPolarHBondContact O-CB 3.25Å; E20-R24 PolarHBondContact O-N 2.95Å; E20-R24 IonicContact OE1-NH2 2.95Å; E20-R24 PolarHBondContact OE1-NH2 3.3Å; E21-R24 PolarHBondContact O-N 2.83Å; N22-R24 VanDerWaalsContact C-N 3.32Å; N22-R24 PolarHBondContact O-N 3.28Å; R24-K27 PolarHBondContact O-N 2.87Å; R24-F28 WeakPolarHBondContact O-CB 3.45Å; R24-F28 PolarHBondContact O-N 3.13Å |
| 25 | T | 92.3 | Very high | 91.8 | Very high | 17 Ų | 17 | 68.3 Ų | 68.3 | 10% | 0.104 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.9 | -52.5 | 174.9 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | E21 N22 K27 F28 Y29 M74 N100 | E21-T25 WeakPolarHBondContact O-CB 3.15Å; E21-T25 PolarHBondContact O-N 3.42Å; E21-T25 PolarHBondContact O-OG1 2.89Å; N22-T25 PolarHBondContact O-N 3.43Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-K27 PolarHBondContact O-N 2.94Å; T25-F28 WeakPolarHBondContact O-CB 3.12Å; T25-F28 PolarHBondContact O-N 3.33Å; T25-F28 VanDerWaalsContact O-N 3.13Å; T25-Y29 HydrophobicContact CG2-CD2 3.74Å; T25-Y29 HydrophobicContact CG2-CE2 3.73Å; T25-Y29 VanDerWaalsContact O-CD2 3.28Å; T25-Y29 WeakPolarHBondContact O-CD2 3.27Å; T25-Y29 PolarHBondContact O-N 3.48Å; T25-M74 HydrophobicContact CG2-SD 4.46Å; T25-N100 PolarHBondContact OG1-ND2 3.45Å; T25-N100 PolarHBondContact OG1-OD1 3.06Å |
| 26 | L | 94.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 65.3 Ų | 65.3 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 178.8 | -75.1 | 172.7 | 0 | 0 | 0 | 112.2 | N22 F28 Y29 R30 Y71 M74 A78 L99 | N22-L26 WeakPolarHBondContact O-CG 3.23Å; N22-L26 PolarHBondContact O-N 3.39Å; L26-F28 PolarHBondContact O-N 3.4Å; L26-Y29 PolarHBondContact O-N 3.37Å; L26-R30 VanDerWaalsContact O-CB 3.25Å; L26-R30 WeakPolarHBondContact O-CB 3.29Å; L26-R30 PolarHBondContact O-N 2.88Å; L26-Y71 HydrophobicContact CB-CE2 4.41Å; L26-Y71 HydrophobicContact CD2-CD2 4.49Å; L26-Y71 HydrophobicContact CD2-CE2 4.04Å; L26-Y71 WeakPolarHBondContact O-CE2 3.48Å; L26-M74 HydrophobicContact CD2-CB 4.07Å; L26-M74 HydrophobicContact CD2-CG 3.67Å; L26-M74 HydrophobicContact CD2-SD 3.83Å; L26-A78 HydrophobicContact CD1-CB 4.06Å; L26-L99 HydrophobicContact CD2-CD1 4.29Å; L26-L99 HydrophobicContact CG-CD1 4.23Å |
| 27 | K | 95.2 | Very high | 92.9 | Very high | 106 Ų | 106 | 58.6 Ų | 58.6 | 46% | 0.461 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 176.6 | -75.8 | 175 | -176.3 | 173.7 | 0 | 111.6 | V23 R24 T25 R30 Y31 | V23-K27 HydrophobicContact CG1-CD 4.22Å; V23-K27 WeakPolarHBondContact O-CB 3.25Å; V23-K27 WeakPolarHBondContact O-CG 3.43Å; V23-K27 PolarHBondContact O-N 3.04Å; R24-K27 PolarHBondContact O-N 2.87Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-K27 PolarHBondContact O-N 2.94Å; K27-R30 PolarHBondContact O-N 3.38Å; K27-Y31 HydrophobicContact CB-CE2 4.22Å; K27-Y31 WeakPolarHBondContact O-CD2 3.22Å; K27-Y31 PolarHBondContact O-N 3.2Å |
| 28 | F | 95.4 | Very high | 93.3 | Very high | 121 Ų | 121 | 59.1 Ų | 59.1 | 53% | 0.531 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.3 | -53.6 | 177.9 | 173.1 | -97.2 | 0 | 0 | 0 | 111.4 | R24 T25 L26 R30 Y31 L32 | R24-F28 WeakPolarHBondContact O-CB 3.45Å; R24-F28 PolarHBondContact O-N 3.13Å; T25-F28 WeakPolarHBondContact O-CB 3.12Å; T25-F28 PolarHBondContact O-N 3.33Å; T25-F28 VanDerWaalsContact O-N 3.13Å; L26-F28 PolarHBondContact O-N 3.4Å; F28-R30 VanDerWaalsContact C-N 3.32Å; F28-R30 PolarHBondContact O-N 2.87Å; F28-Y31 PolarHBondContact O-N 3.16Å; F28-L32 HydrophobicContact CE1-CD2 4.36Å; F28-L32 WeakPolarHBondContact O-CB 3.28Å; F28-L32 PolarHBondContact O-N 2.87Å |
| 29 | Y | 95.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 179.7 | -79 | -82.3 | 0 | 0 | 0 | 112.3 | T25 L26 L32 F33 M74 K111 I114 I115 | T25-Y29 HydrophobicContact CG2-CD2 3.74Å; T25-Y29 HydrophobicContact CG2-CE2 3.73Å; T25-Y29 VanDerWaalsContact O-CD2 3.28Å; T25-Y29 WeakPolarHBondContact O-CD2 3.27Å; T25-Y29 PolarHBondContact O-N 3.48Å; L26-Y29 PolarHBondContact O-N 3.37Å; Y29-L32 HydrophobicContact CD1-CD2 4.19Å; Y29-L32 HydrophobicContact CE1-CD2 4.46Å; Y29-L32 WeakPolarHBondContact O-CB 3.34Å; Y29-L32 PolarHBondContact O-N 3.49Å; Y29-F33 WeakPolarHBondContact O-CD1 3.45Å; Y29-F33 PolarHBondContact O-N 3.04Å; Y29-F33 VanDerWaalsContact O-N 3.08Å; Y29-M74 HydrophobicContact CD2-SD 4.37Å; Y29-K111 HydrophobicContact CD2-CG 4.44Å; Y29-K111 HydrophobicContact CE1-CB 3.89Å; Y29-K111 HydrophobicContact CE1-CG 4.12Å; Y29-K111 HydrophobicContact CE2-CB 4.35Å; Y29-K111 HydrophobicContact CE2-CD 3.98Å; Y29-K111 HydrophobicContact CE2-CG 3.72Å; Y29-K111 WeakPolarHBondContact OH-CB 3.42Å; Y29-I114 HydrophobicContact CD1-CB 4.08Å; Y29-I114 HydrophobicContact CD1-CD1 4.29Å; Y29-I114 HydrophobicContact CD1-CG2 3.88Å; Y29-I114 HydrophobicContact CG-CD1 4.48Å; Y29-I115 HydrophobicContact CE1-CD1 3.8Å; Y29-I115 HydrophobicContact CE1-CG1 3.78Å |
| 30 | R | 95.7 | Very high | 94.1 | Very high | 92 Ų | 92 | 59.5 Ų | 59.5 | 35% | 0.347 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 174 | -172.9 | 179.6 | 72.6 | 168.7 | 4.6 | 111.7 | L26 K27 F28 F33 L34 Y71 | L26-R30 VanDerWaalsContact O-CB 3.25Å; L26-R30 WeakPolarHBondContact O-CB 3.29Å; L26-R30 PolarHBondContact O-N 2.88Å; K27-R30 PolarHBondContact O-N 3.38Å; F28-R30 VanDerWaalsContact C-N 3.32Å; F28-R30 PolarHBondContact O-N 2.87Å; R30-F33 HydrophobicContact CG-CE1 4.41Å; R30-L34 HydrophobicContact CG-CD1 3.78Å; R30-L34 VanDerWaalsContact O-CB 3.26Å; R30-L34 WeakPolarHBondContact O-CB 3.37Å; R30-L34 WeakPolarHBondContact O-CD1 2.99Å; R30-L34 WeakPolarHBondContact O-CG 3.22Å; R30-L34 PolarHBondContact O-N 3.34Å; R30-Y71 HydrophobicContact CB-CD2 4.46Å; R30-Y71 HydrophobicContact CB-CE2 3.72Å; R30-Y71 HydrophobicContact CG-CE2 4.34Å |
| 31 | Y | 96.7 | Very high | 94.2 | Very high | 138 Ų | 138 | 57.6 Ų | 57.6 | 54% | 0.541 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 178.7 | -67.6 | -49.1 | 0 | 0 | 0 | 112.2 | K27 F28 S35 | K27-Y31 HydrophobicContact CB-CE2 4.22Å; K27-Y31 WeakPolarHBondContact O-CD2 3.22Å; K27-Y31 PolarHBondContact O-N 3.2Å; F28-Y31 PolarHBondContact O-N 3.16Å; Y31-S35 WeakPolarHBondContact O-CB 3.45Å; Y31-S35 PolarHBondContact O-N 3.37Å; Y31-S35 PolarHBondContact O-OG 3.33Å |
| 32 | L | 95.7 | Very high | 94.4 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.4 | -62.5 | 176.8 | 179.5 | 68.6 | 0 | 0 | 0 | 111 | F28 Y29 L34 S35 C36 I115 | F28-L32 HydrophobicContact CE1-CD2 4.36Å; F28-L32 WeakPolarHBondContact O-CB 3.28Å; F28-L32 PolarHBondContact O-N 2.87Å; Y29-L32 HydrophobicContact CD1-CD2 4.19Å; Y29-L32 HydrophobicContact CE1-CD2 4.46Å; Y29-L32 WeakPolarHBondContact O-CB 3.34Å; Y29-L32 PolarHBondContact O-N 3.49Å; L32-L34 PolarHBondContact O-N 2.92Å; L32-S35 PolarHBondContact O-N 2.85Å; L32-S35 PolarHBondContact O-OG 3.45Å; L32-C36 PolarHBondContact O-N 2.68Å; L32-C36 VanDerWaalsContact O-N 3.13Å; L32-C36 PolarHBondContact O-SG 3.16Å; L32-C36 VanDerWaalsContact O-SG 3.38Å; L32-I115 HydrophobicContact CD2-CG1 4.16Å |
| 33 | F | 94.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 2% | 0.022 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.1 | -37.8 | -174.4 | 87.8 | -100 | 0 | 0 | 0 | 111.9 | Y29 R30 S35 C36 Y37 F64 C67 Y71 I114 | Y29-F33 WeakPolarHBondContact O-CD1 3.45Å; Y29-F33 PolarHBondContact O-N 3.04Å; Y29-F33 VanDerWaalsContact O-N 3.08Å; R30-F33 HydrophobicContact CG-CE1 4.41Å; F33-S35 PolarHBondContact O-N 3.3Å; F33-C36 PolarHBondContact O-N 3.3Å; F33-Y37 HydrophobicContact CD2-CD2 4.28Å; F33-Y37 WeakPolarHBondContact O-CB 3.2Å; F33-Y37 WeakPolarHBondContact O-CD2 3.46Å; F33-Y37 PolarHBondContact O-N 3.26Å; F33-F64 HydrophobicContact CD2-CE2 4.36Å; F33-F64 HydrophobicContact CE2-CD2 4.46Å; F33-F64 AromaticContact CE2-CE2 3.8Å; F33-F64 HydrophobicContact CE2-CE2 3.8Å; F33-F64 HydrophobicContact CE2-CZ 4.37Å; F33-C67 HydrophobicContact CD2-CB 4.24Å; F33-C67 HydrophobicContact CG-CB 4.47Å; F33-Y71 HydrophobicContact CE1-CD2 4.27Å; F33-Y71 HydrophobicContact CE1-CG 4.17Å; F33-I114 HydrophobicContact CB-CG2 3.94Å; F33-I114 HydrophobicContact CD1-CG2 4.38Å |
| 34 | L | 96 | Very high | 94.5 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 177.9 | -73.2 | 175.2 | 0 | 0 | 0 | 111.6 | R30 L32 Y37 V38 F64 | R30-L34 HydrophobicContact CG-CD1 3.78Å; R30-L34 VanDerWaalsContact O-CB 3.26Å; R30-L34 WeakPolarHBondContact O-CB 3.37Å; R30-L34 WeakPolarHBondContact O-CD1 2.99Å; R30-L34 WeakPolarHBondContact O-CG 3.22Å; R30-L34 PolarHBondContact O-N 3.34Å; L32-L34 PolarHBondContact O-N 2.92Å; L34-Y37 PolarHBondContact O-N 3.16Å; L34-V38 WeakPolarHBondContact O-CB 3.19Å; L34-V38 VanDerWaalsContact O-CG2 3.23Å; L34-V38 WeakPolarHBondContact O-CG2 3.26Å; L34-V38 PolarHBondContact O-N 2.86Å; L34-F64 HydrophobicContact CD2-CE2 4.5Å |
| 35 | S | 96.3 | Very high | 94.3 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 177.1 | 70 | 0 | 0 | 0 | 0 | 111.6 | Y31 L32 F33 Y37 V38 V39 | Y31-S35 WeakPolarHBondContact O-CB 3.45Å; Y31-S35 PolarHBondContact O-N 3.37Å; Y31-S35 PolarHBondContact O-OG 3.33Å; L32-S35 PolarHBondContact O-N 2.85Å; L32-S35 PolarHBondContact O-OG 3.45Å; F33-S35 PolarHBondContact O-N 3.3Å; S35-Y37 VanDerWaalsContact C-N 3.32Å; S35-Y37 PolarHBondContact O-N 2.95Å; S35-V38 PolarHBondContact O-N 3.06Å; S35-V39 WeakPolarHBondContact O-CB 3.36Å; S35-V39 VanDerWaalsContact O-CG2 3.29Å; S35-V39 WeakPolarHBondContact O-CG2 3.47Å; S35-V39 PolarHBondContact O-N 3.45Å |
| 36 | C | 95.5 | Very high | 94.3 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 10% | 0.101 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 176 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | L32 F33 Y40 M122 | L32-C36 PolarHBondContact O-N 2.68Å; L32-C36 VanDerWaalsContact O-N 3.13Å; L32-C36 PolarHBondContact O-SG 3.16Å; L32-C36 VanDerWaalsContact O-SG 3.38Å; F33-C36 PolarHBondContact O-N 3.3Å; C36-Y40 WeakPolarHBondContact O-CB 3.37Å; C36-Y40 PolarHBondContact O-N 2.85Å; C36-M122 HydrophobicContact CB-CG 4.09Å; C36-M122 HydrophobicContact CB-SD 4.02Å |
| 37 | Y | 94.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 66 Ų | 66 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 178 | -96.8 | -86.4 | 0 | 0 | 0 | 113.1 | F33 L34 S35 Y40 F41 S60 C63 F64 T121 | F33-Y37 HydrophobicContact CD2-CD2 4.28Å; F33-Y37 WeakPolarHBondContact O-CB 3.2Å; F33-Y37 WeakPolarHBondContact O-CD2 3.46Å; F33-Y37 PolarHBondContact O-N 3.26Å; L34-Y37 PolarHBondContact O-N 3.16Å; S35-Y37 VanDerWaalsContact C-N 3.32Å; S35-Y37 PolarHBondContact O-N 2.95Å; Y37-Y40 PolarHBondContact O-N 3.37Å; Y37-F41 HydrophobicContact CD1-CD2 4.2Å; Y37-F41 AromaticContact CD1-CE2 3.73Å; Y37-F41 HydrophobicContact CD1-CE2 3.73Å; Y37-F41 HydrophobicContact CE1-CE2 4.37Å; Y37-F41 VanDerWaalsContact O-CD2 3.25Å; Y37-F41 WeakPolarHBondContact O-CD2 3.32Å; Y37-F41 PolarHBondContact O-N 3.23Å; Y37-S60 PolarHBondContact OH-O 3.25Å; Y37-C63 WeakPolarHBondContact OH-CB 3.42Å; Y37-C63 PolarHBondContact OH-SG 2.88Å; Y37-F64 HydrophobicContact CD1-CB 4.37Å; Y37-F64 AromaticContact CD1-CD2 3.66Å; Y37-F64 HydrophobicContact CD1-CD2 3.66Å; Y37-F64 HydrophobicContact CD1-CE2 4.45Å; Y37-F64 HydrophobicContact CD1-CG 4.42Å; Y37-F64 AromaticContact CD2-CD2 3.96Å; Y37-F64 HydrophobicContact CD2-CD2 3.96Å; Y37-F64 HydrophobicContact CE1-CB 3.6Å; Y37-F64 AromaticContact CE1-CD2 3.72Å; Y37-F64 HydrophobicContact CE1-CD2 3.72Å; Y37-F64 HydrophobicContact CE1-CG 4.11Å; Y37-F64 HydrophobicContact CE2-CB 4.44Å; Y37-F64 HydrophobicContact CE2-CD2 4.02Å; Y37-F64 AromaticContact CG-CD2 3.78Å; Y37-F64 HydrophobicContact CG-CD2 3.78Å; Y37-F64 HydrophobicContact CG-CE2 4.3Å; Y37-F64 AromaticContact CZ-CD2 3.91Å; Y37-F64 WeakPolarHBondContact OH-CA 3.4Å; Y37-F64 PolarHBondContact OH-N 3.38Å; Y37-T121 HydrophobicContact CD2-CG2 4.39Å; Y37-T121 HydrophobicContact CE2-CG2 4.32Å; Y37-T121 PolarHBondContact OH-OG1 3.41Å |
| 38 | V | 95.8 | Very high | 93.7 | Very high | 90 Ų | 90 | 64.8 Ų | 64.8 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 176.3 | 169 | 0 | 0 | 0 | 0 | 109.8 | L34 S35 Y40 F41 V42 | L34-V38 WeakPolarHBondContact O-CB 3.19Å; L34-V38 VanDerWaalsContact O-CG2 3.23Å; L34-V38 WeakPolarHBondContact O-CG2 3.26Å; L34-V38 PolarHBondContact O-N 2.86Å; S35-V38 PolarHBondContact O-N 3.06Å; V38-Y40 VanDerWaalsContact C-N 3.34Å; V38-Y40 PolarHBondContact O-N 3.48Å; V38-F41 PolarHBondContact O-N 3.31Å; V38-V42 HydrophobicContact CG1-CG2 4.36Å; V38-V42 WeakPolarHBondContact O-CB 3.17Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.29Å; V38-V42 PolarHBondContact O-N 3.22Å |
| 39 | V | 95.4 | Very high | 93.1 | Very high | 60 Ų | 60 | 67.1 Ų | 67.1 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | S35 F41 V42 I43 M122 | S35-V39 WeakPolarHBondContact O-CB 3.36Å; S35-V39 VanDerWaalsContact O-CG2 3.29Å; S35-V39 WeakPolarHBondContact O-CG2 3.47Å; S35-V39 PolarHBondContact O-N 3.45Å; V39-F41 PolarHBondContact O-N 3.15Å; V39-V42 PolarHBondContact O-N 3.33Å; V39-I43 HydrophobicContact CG1-CD1 3.61Å; V39-I43 HydrophobicContact CG1-CG1 4.4Å; V39-I43 WeakPolarHBondContact O-CB 3.29Å; V39-I43 WeakPolarHBondContact O-CG1 3.5Å; V39-I43 PolarHBondContact O-N 2.9Å; V39-M122 HydrophobicContact CG1-CE 4.28Å; V39-M122 HydrophobicContact CG1-SD 4.4Å |
| 40 | Y | 93.6 | Very high | 92.5 | Very high | 8 Ų | 8 | 71.2 Ų | 71.2 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57 | -50.7 | 176.8 | 172.4 | -97.7 | 0 | 0 | 0 | 112.4 | C36 Y37 V38 T44 F52 T121 S124 L125 W131 | C36-Y40 WeakPolarHBondContact O-CB 3.37Å; C36-Y40 PolarHBondContact O-N 2.85Å; Y37-Y40 PolarHBondContact O-N 3.37Å; V38-Y40 VanDerWaalsContact C-N 3.34Å; V38-Y40 PolarHBondContact O-N 3.48Å; Y40-T44 WeakPolarHBondContact CE2-OG1 3.06Å; Y40-T44 WeakPolarHBondContact O-CB 3.43Å; Y40-T44 PolarHBondContact O-N 2.99Å; Y40-T44 PolarHBondContact O-OG1 2.85Å; Y40-F52 HydrophobicContact CE1-CE2 4.28Å; Y40-T121 VanDerWaalsContact CB-CG2 3.45Å; Y40-T121 HydrophobicContact CD1-CG2 4.22Å; Y40-T121 HydrophobicContact CD2-CG2 3.93Å; Y40-T121 WeakPolarHBondContact CD2-O 3.38Å; Y40-T121 HydrophobicContact CG-CG2 3.59Å; Y40-S124 WeakPolarHBondContact CE2-OG 3.25Å; Y40-L125 HydrophobicContact CD2-CD2 3.48Å; Y40-L125 VanDerWaalsContact CD2-CD2 3.48Å; Y40-L125 HydrophobicContact CD2-CG 3.81Å; Y40-L125 HydrophobicContact CE2-CD2 3.87Å; Y40-L125 HydrophobicContact CE2-CG 4.42Å; Y40-L125 HydrophobicContact CG-CD2 4.38Å; Y40-W131 HydrophobicContact CE2-CZ2 4.08Å; Y40-W131 AromaticContact CZ-CZ2 3.77Å; Y40-W131 WeakPolarHBondContact OH-CZ2 3.44Å |
| 41 | F | 91.9 | Very high | 91.8 | Very high | 67 Ų | 67 | 69.3 Ų | 69.3 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 179.9 | -84.3 | -65.6 | 0 | 0 | 0 | 111.6 | Y37 V38 V39 I43 T44 L45 F52 | Y37-F41 HydrophobicContact CD1-CD2 4.2Å; Y37-F41 AromaticContact CD1-CE2 3.73Å; Y37-F41 HydrophobicContact CD1-CE2 3.73Å; Y37-F41 HydrophobicContact CE1-CE2 4.37Å; Y37-F41 VanDerWaalsContact O-CD2 3.25Å; Y37-F41 WeakPolarHBondContact O-CD2 3.32Å; Y37-F41 PolarHBondContact O-N 3.23Å; V38-F41 PolarHBondContact O-N 3.31Å; V39-F41 PolarHBondContact O-N 3.15Å; F41-I43 PolarHBondContact O-N 3.3Å; F41-T44 PolarHBondContact O-N 3.45Å; F41-L45 VanDerWaalsContact O-CB 3.22Å; F41-L45 WeakPolarHBondContact O-CB 3.15Å; F41-L45 WeakPolarHBondContact O-CD1 3.36Å; F41-L45 WeakPolarHBondContact O-CG 3.48Å; F41-L45 PolarHBondContact O-N 2.78Å; F41-F52 HydrophobicContact CD1-CZ 4.41Å; F41-F52 HydrophobicContact CE1-CE1 4.43Å; F41-F52 AromaticContact CE1-CZ 3.96Å; F41-F52 HydrophobicContact CE1-CZ 3.96Å |
| 42 | V | 94.6 | Very high | 91 | Very high | 83 Ų | 83 | 64.3 Ų | 64.3 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.7 | -52 | 178.3 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | V38 V39 T44 L45 T46 | V38-V42 HydrophobicContact CG1-CG2 4.36Å; V38-V42 WeakPolarHBondContact O-CB 3.17Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.29Å; V38-V42 PolarHBondContact O-N 3.22Å; V39-V42 PolarHBondContact O-N 3.33Å; V42-T44 PolarHBondContact O-N 2.83Å; V42-L45 PolarHBondContact O-N 3.38Å; V42-T46 WeakPolarHBondContact O-CB 3.35Å; V42-T46 PolarHBondContact O-N 2.82Å; V42-T46 PolarHBondContact O-OG1 3.26Å |
| 43 | I | 93.5 | Very high | 90.5 | Very high | 56 Ų | 56 | 65.2 Ų | 65.2 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | -179.2 | -67.2 | 172.6 | 0 | 0 | 0 | 111.2 | V39 F41 L45 T46 F47 F48 L125 | V39-I43 HydrophobicContact CG1-CD1 3.61Å; V39-I43 HydrophobicContact CG1-CG1 4.4Å; V39-I43 WeakPolarHBondContact O-CB 3.29Å; V39-I43 WeakPolarHBondContact O-CG1 3.5Å; V39-I43 PolarHBondContact O-N 2.9Å; F41-I43 PolarHBondContact O-N 3.3Å; I43-L45 PolarHBondContact O-N 3.44Å; I43-T46 PolarHBondContact O-N 3.46Å; I43-F47 HydrophobicContact CG2-CD2 4.13Å; I43-F47 PolarHBondContact O-N 3Å; I43-F48 HydrophobicContact CG2-CD2 4.19Å; I43-F48 HydrophobicContact CG2-CE2 3.97Å; I43-L125 HydrophobicContact CB-CD1 4.41Å; I43-L125 HydrophobicContact CB-CD2 4.06Å; I43-L125 HydrophobicContact CD1-CD1 3.81Å; I43-L125 HydrophobicContact CG2-CD1 4.48Å; I43-L125 HydrophobicContact CG2-CD2 3.85Å |
| 44 | T | 90.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 73.3 Ų | 73.3 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | -179.1 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | Y40 F41 V42 F48 W49 F52 | Y40-T44 WeakPolarHBondContact CE2-OG1 3.06Å; Y40-T44 WeakPolarHBondContact O-CB 3.43Å; Y40-T44 PolarHBondContact O-N 2.99Å; Y40-T44 PolarHBondContact O-OG1 2.85Å; F41-T44 PolarHBondContact O-N 3.45Å; V42-T44 PolarHBondContact O-N 2.83Å; T44-F48 HydrophobicContact CG2-CB 4.31Å; T44-F48 CarbonylContact O-C 3.58Å; T44-F48 WeakPolarHBondContact O-CA 3.3Å; T44-F48 PolarHBondContact O-N 3.36Å; T44-W49 PolarHBondContact O-N 2.96Å; T44-F52 HydrophobicContact CG2-CB 4.12Å; T44-F52 HydrophobicContact CG2-CD1 4.36Å; T44-F52 HydrophobicContact CG2-CD2 3.24Å; T44-F52 HydrophobicContact CG2-CE2 3.61Å; T44-F52 HydrophobicContact CG2-CG 3.68Å; T44-F52 HydrophobicContact CG2-CZ 4.29Å |
| 45 | L | 89.4 | Confident | 89.7 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 42% | 0.419 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.6 | -36.7 | 178.1 | -67.2 | 173 | 0 | 0 | 0 | 112.2 | F41 V42 I43 W49 | F41-L45 VanDerWaalsContact O-CB 3.22Å; F41-L45 WeakPolarHBondContact O-CB 3.15Å; F41-L45 WeakPolarHBondContact O-CD1 3.36Å; F41-L45 WeakPolarHBondContact O-CG 3.48Å; F41-L45 PolarHBondContact O-N 2.78Å; V42-L45 PolarHBondContact O-N 3.38Å; I43-L45 PolarHBondContact O-N 3.44Å; L45-W49 HydrophobicContact CD2-CE3 3.58Å; L45-W49 HydrophobicContact CD2-CZ3 3.38Å |
| 46 | T | 91.8 | Very high | 89.3 | Confident | 95 Ų | 95 | 75.4 Ų | 75.4 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -78.2 | -41.5 | -179.1 | -57.5 | 0 | 0 | 0 | 0 | 113.1 | V42 I43 | V42-T46 WeakPolarHBondContact O-CB 3.35Å; V42-T46 PolarHBondContact O-N 2.82Å; V42-T46 PolarHBondContact O-OG1 3.26Å; I43-T46 PolarHBondContact O-N 3.46Å |
| 47 | F | 89.6 | Confident | 88.9 | Confident | 154 Ų | 154 | 77.6 Ų | 77.6 | 68% | 0.675 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -113.2 | -28.6 | -170 | -64 | -79.4 | 0 | 0 | 0 | 114.5 | I43 | I43-F47 HydrophobicContact CG2-CD2 4.13Å; I43-F47 PolarHBondContact O-N 3Å |
| 48 | F | 86.7 | Confident | 88.7 | Confident | 81 Ų | 81 | 82.1 Ų | 82.1 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | trans | -118.5 | 20.4 | -170.2 | -59.8 | -71.6 | 0 | 0 | 0 | 113.8 | I43 T44 P50 T51 F52 | I43-F48 HydrophobicContact CG2-CD2 4.19Å; I43-F48 HydrophobicContact CG2-CE2 3.97Å; T44-F48 HydrophobicContact CG2-CB 4.31Å; T44-F48 CarbonylContact O-C 3.58Å; T44-F48 WeakPolarHBondContact O-CA 3.3Å; T44-F48 PolarHBondContact O-N 3.36Å; F48-P50 VanDerWaalsContact C-CD 3.42Å; F48-P50 VanDerWaalsContact C-N 3.35Å; F48-T51 PolarHBondContact O-N 2.88Å; F48-F52 PolarHBondContact O-N 3.25Å; F48-F52 VanDerWaalsContact O-N 3.11Å | ||
| 49 | W | 83.7 | Confident | 88.4 | Confident | 171 Ų | 171 | 81 Ų | 81 | 65% | 0.648 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -49 | -46.3 | -179.1 | -179.8 | -94.7 | 0 | 0 | 0 | 113.8 | T44 L45 T51 F52 | T44-W49 PolarHBondContact O-N 2.96Å; L45-W49 HydrophobicContact CD2-CE3 3.58Å; L45-W49 HydrophobicContact CD2-CZ3 3.38Å; W49-T51 VanDerWaalsContact C-N 3.26Å; W49-T51 PolarHBondContact O-N 3.18Å; W49-F52 WeakPolarHBondContact O-CB 3.26Å; W49-F52 PolarHBondContact O-N 3.44Å |
| 50 | P | 82.6 | Confident | 88.2 | Confident | 113 Ų | 113 | 78.1 Ų | 78.1 | 73% | 0.734 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -65.8 | -29.2 | -179.9 | -19.3 | 33.1 | 0 | 0 | 0 | 113.2 | F48 F52 | F48-P50 VanDerWaalsContact C-CD 3.42Å; F48-P50 VanDerWaalsContact C-N 3.35Å; P50-F52 VanDerWaalsContact C-N 3.35Å |
| 51 | T | 79.7 | Confident | 88.1 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 32% | 0.319 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -86 | -10.8 | -179.3 | -39.7 | 0 | 0 | 0 | 0 | 112.7 | F48 W49 T53 Y56 | F48-T51 PolarHBondContact O-N 2.88Å; W49-T51 VanDerWaalsContact C-N 3.26Å; W49-T51 PolarHBondContact O-N 3.18Å; T51-T53 PolarHBondContact O-N 3.08Å; T51-T53 PolarHBondContact O-OG1 3.47Å; T51-Y56 HydrophobicContact CG2-CE2 4.44Å; T51-Y56 VanDerWaalsContact O-CD2 3.3Å; T51-Y56 WeakPolarHBondContact O-CD2 3.32Å |
| 52 | F | 80.5 | Confident | 88.1 | Confident | 33 Ų | 33 | 81.4 Ų | 81.4 | 15% | 0.145 | 42% | 0.418 | C | S | . | . | trans | -75.2 | 61.2 | 179.9 | -154.8 | -129.8 | 0 | 0 | 0 | 111.9 | Y40 F41 T44 F48 W49 P50 I57 | Y40-F52 HydrophobicContact CE1-CE2 4.28Å; F41-F52 HydrophobicContact CD1-CZ 4.41Å; F41-F52 HydrophobicContact CE1-CE1 4.43Å; F41-F52 AromaticContact CE1-CZ 3.96Å; F41-F52 HydrophobicContact CE1-CZ 3.96Å; T44-F52 HydrophobicContact CG2-CB 4.12Å; T44-F52 HydrophobicContact CG2-CD1 4.36Å; T44-F52 HydrophobicContact CG2-CD2 3.24Å; T44-F52 HydrophobicContact CG2-CE2 3.61Å; T44-F52 HydrophobicContact CG2-CG 3.68Å; T44-F52 HydrophobicContact CG2-CZ 4.29Å; F48-F52 PolarHBondContact O-N 3.25Å; F48-F52 VanDerWaalsContact O-N 3.11Å; W49-F52 WeakPolarHBondContact O-CB 3.26Å; W49-F52 PolarHBondContact O-N 3.44Å; P50-F52 VanDerWaalsContact C-N 3.35Å; F52-I57 HydrophobicContact CD1-CD1 4.01Å; F52-I57 HydrophobicContact CD1-CG1 3.73Å; F52-I57 HydrophobicContact CD2-CG1 4.37Å; F52-I57 HydrophobicContact CE1-CD1 4.1Å; F52-I57 HydrophobicContact CE1-CG1 3.53Å; F52-I57 HydrophobicContact CE2-CG1 4.18Å; F52-I57 HydrophobicContact CG-CG1 4.16Å; F52-I57 HydrophobicContact CZ-CG1 3.77Å | ||
| 53 | T | 85.1 | Confident | 88 | Confident | 68 Ų | 68 | 77.5 Ų | 77.5 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | trans | -69.9 | 156 | 177.8 | -54.9 | 0 | 0 | 0 | 0 | 110.5 | T51 R55 Y56 I57 | T51-T53 PolarHBondContact O-N 3.08Å; T51-T53 PolarHBondContact O-OG1 3.47Å; T53-R55 HydrophobicContact CG2-CG 4.37Å; T53-R55 PolarHBondContact O-N 2.84Å; T53-Y56 PolarHBondContact O-N 3.34Å; T53-I57 PolarHBondContact O-N 2.74Å | ||
| 54 | K | 86.9 | Confident | 88 | Confident | 175 Ų | 175 | 78 Ų | 78 | 76% | 0.761 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -41.8 | -40.6 | 176.8 | -62.7 | -179.5 | -176.9 | 178.2 | 0 | 113.8 | Y56 I57 T58 | K54-Y56 PolarHBondContact O-N 2.93Å; K54-I57 PolarHBondContact O-N 2.88Å; K54-T58 PolarHBondContact O-N 3.43Å; K54-T58 PolarHBondContact O-OG1 3.18Å; K54-T58 VanDerWaalsContact O-OG1 3.07Å |
| 55 | R | 87.3 | Confident | 88.1 | Confident | 147 Ų | 147 | 79.3 Ų | 79.3 | 56% | 0.555 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58 | -44.4 | 178.4 | 72.2 | -173.3 | -175.5 | -153.9 | 0.3 | 113.5 | T53 L59 | T53-R55 HydrophobicContact CG2-CG 4.37Å; T53-R55 PolarHBondContact O-N 2.84Å; R55-L59 VanDerWaalsContact O-CG 3.27Å; R55-L59 WeakPolarHBondContact O-CG 3.25Å; R55-L59 PolarHBondContact O-N 3.44Å |
| 56 | Y | 86.7 | Confident | 88.2 | Confident | 25 Ų | 25 | 77.5 Ų | 77.5 | 10% | 0.098 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -75.9 | -32.8 | -179.5 | -62.8 | -66.3 | 0 | 0 | 0 | 111.4 | T51 T53 K54 L59 S60 Q128 W131 | T51-Y56 HydrophobicContact CG2-CE2 4.44Å; T51-Y56 VanDerWaalsContact O-CD2 3.3Å; T51-Y56 WeakPolarHBondContact O-CD2 3.32Å; T53-Y56 PolarHBondContact O-N 3.34Å; K54-Y56 PolarHBondContact O-N 2.93Å; Y56-L59 PolarHBondContact O-N 3.45Å; Y56-S60 VanDerWaalsContact O-CB 3.28Å; Y56-S60 WeakPolarHBondContact O-CB 3.37Å; Y56-S60 PolarHBondContact O-N 3Å; Y56-S60 PolarHBondContact O-OG 3.31Å; Y56-S60 VanDerWaalsContact O-OG 3.05Å; Y56-Q128 HydrophobicContact CE1-CB 3.99Å; Y56-Q128 HydrophobicContact CE1-CG 4.18Å; Y56-Q128 PolarHBondContact OH-OE1 2.89Å; Y56-W131 AromaticContact CD1-CD1 3.58Å; Y56-W131 HydrophobicContact CD1-CG 4.38Å; Y56-W131 AromaticContact CD1-NE1 3.63Å; Y56-W131 AromaticContact CE1-CD1 3.75Å |
| 57 | I | 88.3 | Confident | 88.2 | Confident | 61 Ų | 61 | 73 Ų | 73 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -51.8 | 171.6 | -59.9 | 174.4 | 0 | 0 | 0 | 109.5 | F52 T53 K54 L59 S60 L61 | F52-I57 HydrophobicContact CD1-CD1 4.01Å; F52-I57 HydrophobicContact CD1-CG1 3.73Å; F52-I57 HydrophobicContact CD2-CG1 4.37Å; F52-I57 HydrophobicContact CE1-CD1 4.1Å; F52-I57 HydrophobicContact CE1-CG1 3.53Å; F52-I57 HydrophobicContact CE2-CG1 4.18Å; F52-I57 HydrophobicContact CG-CG1 4.16Å; F52-I57 HydrophobicContact CZ-CG1 3.77Å; T53-I57 PolarHBondContact O-N 2.74Å; K54-I57 PolarHBondContact O-N 2.88Å; I57-L59 VanDerWaalsContact C-N 3.35Å; I57-L59 PolarHBondContact O-N 2.88Å; I57-S60 PolarHBondContact O-N 3.12Å; I57-S60 PolarHBondContact O-OG 3.2Å; I57-L61 HydrophobicContact CG2-CD1 3.91Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CB 3.25Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.07Å |
| 58 | T | 90.1 | Very high | 88.4 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 61% | 0.607 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.3 | -42.7 | 178.5 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | K54 G62 | K54-T58 PolarHBondContact O-N 3.43Å; K54-T58 PolarHBondContact O-OG1 3.18Å; K54-T58 VanDerWaalsContact O-OG1 3.07Å; T58-G62 PolarHBondContact O-N 3.3Å |
| 59 | L | 89.7 | Confident | 88.7 | Confident | 67 Ų | 67 | 67.7 Ų | 67.7 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 177.5 | -72.7 | 168.5 | 0 | 0 | 0 | 112.4 | R55 Y56 I57 G62 C63 W131 L134 | R55-L59 VanDerWaalsContact O-CG 3.27Å; R55-L59 WeakPolarHBondContact O-CG 3.25Å; R55-L59 PolarHBondContact O-N 3.44Å; Y56-L59 PolarHBondContact O-N 3.45Å; I57-L59 VanDerWaalsContact C-N 3.35Å; I57-L59 PolarHBondContact O-N 2.88Å; L59-G62 PolarHBondContact O-N 2.97Å; L59-C63 VanDerWaalsContact O-CB 3.29Å; L59-C63 WeakPolarHBondContact O-CB 3.38Å; L59-C63 PolarHBondContact O-N 3.2Å; L59-W131 HydrophobicContact CB-CD2 4.12Å; L59-W131 HydrophobicContact CB-CE3 3.76Å; L59-W131 HydrophobicContact CB-CZ3 4.09Å; L59-W131 HydrophobicContact CD1-CB 4.16Å; L59-W131 HydrophobicContact CD1-CD2 4.47Å; L59-W131 HydrophobicContact CD1-CG 4.24Å; L59-L134 HydrophobicContact CD2-CD2 4.42Å |
| 60 | S | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 177.7 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | Y37 Y56 I57 C63 F64 W131 | Y37-S60 PolarHBondContact OH-O 3.25Å; Y56-S60 VanDerWaalsContact O-CB 3.28Å; Y56-S60 WeakPolarHBondContact O-CB 3.37Å; Y56-S60 PolarHBondContact O-N 3Å; Y56-S60 PolarHBondContact O-OG 3.31Å; Y56-S60 VanDerWaalsContact O-OG 3.05Å; I57-S60 PolarHBondContact O-N 3.12Å; I57-S60 PolarHBondContact O-OG 3.2Å; S60-C63 PolarHBondContact O-N 2.92Å; S60-F64 WeakPolarHBondContact O-CB 3.43Å; S60-F64 PolarHBondContact O-N 3.5Å; S60-W131 VanDerWaalsContact CA-CH2 3.44Å |
| 61 | L | 92.3 | Very high | 89.6 | Confident | 100 Ų | 100 | 56.4 Ų | 56.4 | 52% | 0.524 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 174 | -69.4 | 176.7 | 0 | 0 | 0 | 112 | I57 F64 G65 | I57-L61 HydrophobicContact CG2-CD1 3.91Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CB 3.25Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.07Å; L61-F64 PolarHBondContact O-N 3.39Å; L61-G65 PolarHBondContact O-N 3.31Å |
| 62 | G | 91.1 | Very high | 90.3 | Very high | 43 Ų | 43 | 60 Ų | 60 | 44% | 0.443 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | T58 L59 F64 G65 A66 | T58-G62 PolarHBondContact O-N 3.3Å; L59-G62 PolarHBondContact O-N 2.97Å; G62-F64 VanDerWaalsContact C-N 3.32Å; G62-F64 PolarHBondContact O-N 2.83Å; G62-G65 PolarHBondContact O-N 2.94Å; G62-A66 WeakPolarHBondContact O-CB 3.26Å; G62-A66 PolarHBondContact O-N 3.36Å |
| 63 | C | 91.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 174 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | Y37 L59 S60 A66 C67 W131 L134 | Y37-C63 WeakPolarHBondContact OH-CB 3.42Å; Y37-C63 PolarHBondContact OH-SG 2.88Å; L59-C63 VanDerWaalsContact O-CB 3.29Å; L59-C63 WeakPolarHBondContact O-CB 3.38Å; L59-C63 PolarHBondContact O-N 3.2Å; S60-C63 PolarHBondContact O-N 2.92Å; C63-A66 PolarHBondContact O-N 3.03Å; C63-C67 PolarHBondContact O-N 2.82Å; C63-C67 PolarHBondContact O-SG 3.13Å; C63-W131 HydrophobicContact CB-CZ3 3.92Å; C63-L134 HydrophobicContact CB-CD1 3.71Å; C63-L134 HydrophobicContact CB-CD2 4.26Å; C63-L134 VanDerWaalsContact SG-CD1 3.51Å |
| 64 | F | 93.4 | Very high | 91.1 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 177.2 | -176.2 | -99.9 | 0 | 0 | 0 | 110.9 | F33 L34 Y37 S60 L61 G62 A66 C67 L68 | F33-F64 HydrophobicContact CD2-CE2 4.36Å; F33-F64 HydrophobicContact CE2-CD2 4.46Å; F33-F64 AromaticContact CE2-CE2 3.8Å; F33-F64 HydrophobicContact CE2-CE2 3.8Å; F33-F64 HydrophobicContact CE2-CZ 4.37Å; L34-F64 HydrophobicContact CD2-CE2 4.5Å; Y37-F64 HydrophobicContact CD1-CB 4.37Å; Y37-F64 AromaticContact CD1-CD2 3.66Å; Y37-F64 HydrophobicContact CD1-CD2 3.66Å; Y37-F64 HydrophobicContact CD1-CE2 4.45Å; Y37-F64 HydrophobicContact CD1-CG 4.42Å; Y37-F64 AromaticContact CD2-CD2 3.96Å; Y37-F64 HydrophobicContact CD2-CD2 3.96Å; Y37-F64 HydrophobicContact CE1-CB 3.6Å; Y37-F64 AromaticContact CE1-CD2 3.72Å; Y37-F64 HydrophobicContact CE1-CD2 3.72Å; Y37-F64 HydrophobicContact CE1-CG 4.11Å; Y37-F64 HydrophobicContact CE2-CB 4.44Å; Y37-F64 HydrophobicContact CE2-CD2 4.02Å; Y37-F64 AromaticContact CG-CD2 3.78Å; Y37-F64 HydrophobicContact CG-CD2 3.78Å; Y37-F64 HydrophobicContact CG-CE2 4.3Å; Y37-F64 AromaticContact CZ-CD2 3.91Å; Y37-F64 WeakPolarHBondContact OH-CA 3.4Å; Y37-F64 PolarHBondContact OH-N 3.38Å; S60-F64 WeakPolarHBondContact O-CB 3.43Å; S60-F64 PolarHBondContact O-N 3.5Å; L61-F64 PolarHBondContact O-N 3.39Å; G62-F64 VanDerWaalsContact C-N 3.32Å; G62-F64 PolarHBondContact O-N 2.83Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 3.47Å; F64-C67 WeakPolarHBondContact O-CB 3.05Å; F64-C67 PolarHBondContact O-N 3.37Å; F64-L68 HydrophobicContact CE1-CD2 4.31Å; F64-L68 VanDerWaalsContact O-CB 3.29Å; F64-L68 WeakPolarHBondContact O-CB 3.36Å; F64-L68 PolarHBondContact O-N 2.84Å |
| 65 | G | 93.6 | Very high | 91.2 | Very high | 35 Ų | 35 | 52.4 Ų | 52.4 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L61 G62 L68 A69 | L61-G65 PolarHBondContact O-N 3.31Å; G62-G65 PolarHBondContact O-N 2.94Å; G65-L68 PolarHBondContact O-N 3.47Å; G65-A69 VanDerWaalsContact O-CB 3.27Å; G65-A69 WeakPolarHBondContact O-CB 3.03Å; G65-A69 PolarHBondContact O-N 3.34Å |
| 66 | A | 90.8 | Very high | 91.3 | Very high | 41 Ų | 41 | 54 Ų | 54 | 34% | 0.339 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G62 C63 F64 L68 A69 A70 | G62-A66 WeakPolarHBondContact O-CB 3.26Å; G62-A66 PolarHBondContact O-N 3.36Å; C63-A66 PolarHBondContact O-N 3.03Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 3.47Å; A66-L68 VanDerWaalsContact C-N 3.33Å; A66-L68 PolarHBondContact O-N 3.34Å; A66-A69 PolarHBondContact O-N 3.39Å; A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 3.26Å |
| 67 | C | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 172.5 | -69 | 0 | 0 | 0 | 0 | 111.4 | F33 C63 F64 A69 A70 Y71 C117 | F33-C67 HydrophobicContact CD2-CB 4.24Å; F33-C67 HydrophobicContact CG-CB 4.47Å; C63-C67 PolarHBondContact O-N 2.82Å; C63-C67 PolarHBondContact O-SG 3.13Å; F64-C67 WeakPolarHBondContact O-CB 3.05Å; F64-C67 PolarHBondContact O-N 3.37Å; C67-A69 VanDerWaalsContact C-N 3.33Å; C67-A69 PolarHBondContact O-N 2.89Å; C67-A70 PolarHBondContact O-N 3.18Å; C67-Y71 WeakPolarHBondContact O-CB 3.46Å; C67-Y71 PolarHBondContact O-N 2.93Å; C67-C117 WeakPolarHBondContact SG-CB 3.28Å |
| 68 | L | 94.1 | Very high | 91.2 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 34% | 0.335 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | -176.8 | -174.2 | 63.2 | 0 | 0 | 0 | 110.4 | F64 G65 A66 Y71 K72 | F64-L68 HydrophobicContact CE1-CD2 4.31Å; F64-L68 VanDerWaalsContact O-CB 3.29Å; F64-L68 WeakPolarHBondContact O-CB 3.36Å; F64-L68 PolarHBondContact O-N 2.84Å; G65-L68 PolarHBondContact O-N 3.47Å; A66-L68 VanDerWaalsContact C-N 3.33Å; A66-L68 PolarHBondContact O-N 3.34Å; L68-Y71 PolarHBondContact O-N 3.34Å; L68-K72 HydrophobicContact CD1-CG 4.43Å; L68-K72 HydrophobicContact CG-CG 4.4Å; L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.32Å; L68-K72 WeakPolarHBondContact O-CG 3.09Å; L68-K72 PolarHBondContact O-N 3Å |
| 69 | A | 92.9 | Very high | 90.8 | Very high | 61 Ų | 61 | 49.8 Ų | 49.8 | 50% | 0.504 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G65 A66 C67 Y71 K72 F73 | G65-A69 VanDerWaalsContact O-CB 3.27Å; G65-A69 WeakPolarHBondContact O-CB 3.03Å; G65-A69 PolarHBondContact O-N 3.34Å; A66-A69 PolarHBondContact O-N 3.39Å; C67-A69 VanDerWaalsContact C-N 3.33Å; C67-A69 PolarHBondContact O-N 2.89Å; A69-Y71 PolarHBondContact O-N 2.99Å; A69-K72 PolarHBondContact O-N 3.44Å; A69-F73 WeakPolarHBondContact O-CB 3.13Å; A69-F73 PolarHBondContact O-N 3.31Å |
| 70 | A | 92.2 | Very high | 90.6 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A66 C67 F73 M74 A113 I114 | A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 3.26Å; C67-A70 PolarHBondContact O-N 3.18Å; A70-F73 PolarHBondContact O-N 2.94Å; A70-M74 WeakPolarHBondContact O-CB 3.3Å; A70-M74 PolarHBondContact O-N 3.45Å; A70-A113 HydrophobicContact CB-CB 4.1Å; A70-I114 HydrophobicContact CB-CD1 4.36Å; A70-I114 HydrophobicContact CB-CG1 3.83Å |
| 71 | Y | 93.5 | Very high | 90 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 175.5 | 174.9 | -96.1 | 0 | 0 | 0 | 112.3 | L26 R30 F33 C67 L68 A69 M74 S75 | L26-Y71 HydrophobicContact CB-CE2 4.41Å; L26-Y71 HydrophobicContact CD2-CD2 4.49Å; L26-Y71 HydrophobicContact CD2-CE2 4.04Å; L26-Y71 WeakPolarHBondContact O-CE2 3.48Å; R30-Y71 HydrophobicContact CB-CD2 4.46Å; R30-Y71 HydrophobicContact CB-CE2 3.72Å; R30-Y71 HydrophobicContact CG-CE2 4.34Å; F33-Y71 HydrophobicContact CE1-CD2 4.27Å; F33-Y71 HydrophobicContact CE1-CG 4.17Å; C67-Y71 WeakPolarHBondContact O-CB 3.46Å; C67-Y71 PolarHBondContact O-N 2.93Å; L68-Y71 PolarHBondContact O-N 3.34Å; A69-Y71 PolarHBondContact O-N 2.99Å; Y71-M74 PolarHBondContact O-N 2.82Å; Y71-S75 WeakPolarHBondContact CE1-OG 3.27Å; Y71-S75 WeakPolarHBondContact O-CB 3.35Å; Y71-S75 PolarHBondContact O-N 3Å; Y71-S75 PolarHBondContact O-OG 2.98Å |
| 72 | K | 94 | Very high | 89.4 | Confident | 128 Ų | 128 | 52.4 Ų | 52.4 | 56% | 0.557 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 177.1 | -73 | -73.5 | 174.5 | -178.8 | 0 | 111.2 | L68 A69 S75 Y76 | L68-K72 HydrophobicContact CD1-CG 4.43Å; L68-K72 HydrophobicContact CG-CG 4.4Å; L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.32Å; L68-K72 WeakPolarHBondContact O-CG 3.09Å; L68-K72 PolarHBondContact O-N 3Å; A69-K72 PolarHBondContact O-N 3.44Å; K72-S75 PolarHBondContact O-N 3.38Å; K72-Y76 WeakPolarHBondContact O-CB 3.34Å; K72-Y76 PolarHBondContact O-N 3.23Å |
| 73 | F | 90.8 | Very high | 88.7 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 173.2 | 177.4 | -107.8 | 0 | 0 | 0 | 111.5 | A69 A70 S75 Y76 M77 L106 A110 | A69-F73 WeakPolarHBondContact O-CB 3.13Å; A69-F73 PolarHBondContact O-N 3.31Å; A70-F73 PolarHBondContact O-N 2.94Å; F73-S75 PolarHBondContact O-N 3.22Å; F73-Y76 PolarHBondContact O-N 3.49Å; F73-M77 HydrophobicContact CD1-CE 3.55Å; F73-M77 HydrophobicContact CD1-SD 4.22Å; F73-M77 HydrophobicContact CE1-CE 3.24Å; F73-M77 HydrophobicContact CE1-SD 3.51Å; F73-M77 VanDerWaalsContact CE1-SD 3.51Å; F73-M77 HydrophobicContact CE2-CG 4.4Å; F73-M77 HydrophobicContact CE2-SD 4.14Å; F73-M77 HydrophobicContact CG-CE 4.4Å; F73-M77 HydrophobicContact CZ-CE 3.88Å; F73-M77 HydrophobicContact CZ-CG 4.28Å; F73-M77 HydrophobicContact CZ-SD 3.45Å; F73-M77 WeakPolarHBondContact CZ-SD 3.48Å; F73-M77 WeakPolarHBondContact O-CG 3.49Å; F73-M77 PolarHBondContact O-N 2.87Å; F73-L106 HydrophobicContact CE1-CB 4.11Å; F73-L106 HydrophobicContact CZ-CB 4.11Å; F73-L106 HydrophobicContact CZ-CD1 4.29Å; F73-A110 HydrophobicContact CD1-CB 4.01Å; F73-A110 HydrophobicContact CE1-CB 4.48Å |
| 74 | M | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 175.1 | -169.5 | -175.1 | -62.6 | 0 | 0 | 112.4 | T25 L26 Y29 A70 Y71 Y76 M77 A78 L99 A110 K111 I114 | T25-M74 HydrophobicContact CG2-SD 4.46Å; L26-M74 HydrophobicContact CD2-CB 4.07Å; L26-M74 HydrophobicContact CD2-CG 3.67Å; L26-M74 HydrophobicContact CD2-SD 3.83Å; Y29-M74 HydrophobicContact CD2-SD 4.37Å; A70-M74 WeakPolarHBondContact O-CB 3.3Å; A70-M74 PolarHBondContact O-N 3.45Å; Y71-M74 PolarHBondContact O-N 2.82Å; M74-Y76 VanDerWaalsContact C-N 3.34Å; M74-Y76 PolarHBondContact O-N 3.28Å; M74-M77 PolarHBondContact O-N 3.48Å; M74-A78 WeakPolarHBondContact O-CB 3.2Å; M74-A78 PolarHBondContact O-N 2.79Å; M74-A78 VanDerWaalsContact O-N 3.07Å; M74-L99 HydrophobicContact CG-CD1 3.38Å; M74-L99 HydrophobicContact CG-CD2 3.72Å; M74-L99 HydrophobicContact CG-CG 4.17Å; M74-L99 HydrophobicContact SD-CD1 4Å; M74-A110 HydrophobicContact CB-CB 4.31Å; M74-A110 HydrophobicContact CE-CB 3.76Å; M74-K111 HydrophobicContact CE-CB 4.18Å; M74-K111 HydrophobicContact CE-CG 3.46Å; M74-K111 VanDerWaalsContact CE-CG 3.46Å; M74-K111 HydrophobicContact SD-CG 4.4Å; M74-I114 HydrophobicContact CE-CD1 3.75Å |
| 75 | S | 90.6 | Very high | 87.1 | Confident | 27 Ų | 27 | 57 Ų | 57 | 19% | 0.189 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 177.9 | -58 | 0 | 0 | 0 | 0 | 112.2 | Y71 K72 F73 S79 | Y71-S75 WeakPolarHBondContact CE1-OG 3.27Å; Y71-S75 WeakPolarHBondContact O-CB 3.35Å; Y71-S75 PolarHBondContact O-N 3Å; Y71-S75 PolarHBondContact O-OG 2.98Å; K72-S75 PolarHBondContact O-N 3.38Å; F73-S75 PolarHBondContact O-N 3.22Å; S75-S79 PolarHBondContact O-N 3.45Å; S75-S79 PolarHBondContact O-OG 3.16Å |
| 76 | Y | 89.6 | Confident | 86.3 | Confident | 181 Ų | 181 | 65.2 Ų | 65.2 | 71% | 0.71 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66 | -45.5 | 176.2 | 177.1 | -100 | 0 | 0 | 0 | 111.2 | K72 F73 M74 A78 S79 | K72-Y76 WeakPolarHBondContact O-CB 3.34Å; K72-Y76 PolarHBondContact O-N 3.23Å; F73-Y76 PolarHBondContact O-N 3.49Å; M74-Y76 VanDerWaalsContact C-N 3.34Å; M74-Y76 PolarHBondContact O-N 3.28Å; Y76-A78 VanDerWaalsContact C-N 3.3Å; Y76-A78 PolarHBondContact O-N 2.84Å; Y76-S79 VanDerWaalsContact O-CB 3.29Å; Y76-S79 WeakPolarHBondContact O-CB 3.5Å; Y76-S79 PolarHBondContact O-N 3.28Å; Y76-S79 PolarHBondContact O-OG 2.85Å |
| 77 | M | 84.8 | Confident | 85.7 | Confident | 24 Ų | 24 | 74.3 Ų | 74.3 | 12% | 0.118 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 177.7 | -71.6 | -170.1 | -59.5 | 0 | 0 | 112.8 | F73 M74 S79 L97 L99 L106 | F73-M77 HydrophobicContact CD1-CE 3.55Å; F73-M77 HydrophobicContact CD1-SD 4.22Å; F73-M77 HydrophobicContact CE1-CE 3.24Å; F73-M77 HydrophobicContact CE1-SD 3.51Å; F73-M77 VanDerWaalsContact CE1-SD 3.51Å; F73-M77 HydrophobicContact CE2-CG 4.4Å; F73-M77 HydrophobicContact CE2-SD 4.14Å; F73-M77 HydrophobicContact CG-CE 4.4Å; F73-M77 HydrophobicContact CZ-CE 3.88Å; F73-M77 HydrophobicContact CZ-CG 4.28Å; F73-M77 HydrophobicContact CZ-SD 3.45Å; F73-M77 WeakPolarHBondContact CZ-SD 3.48Å; F73-M77 WeakPolarHBondContact O-CG 3.49Å; F73-M77 PolarHBondContact O-N 2.87Å; M74-M77 PolarHBondContact O-N 3.48Å; M77-S79 VanDerWaalsContact C-N 3.29Å; M77-S79 PolarHBondContact O-N 3.43Å; M77-L97 HydrophobicContact CB-CB 4.25Å; M77-L97 HydrophobicContact CB-CD2 4.22Å; M77-L97 HydrophobicContact CG-CD2 4.38Å; M77-L97 WeakPolarHBondContact O-CB 3.23Å; M77-L97 PolarHBondContact O-N 3.25Å; M77-L97 HydrophobicContact SD-CD2 3.84Å; M77-L99 HydrophobicContact CB-CD2 4.17Å; M77-L99 HydrophobicContact CE-CD2 3.98Å; M77-L106 HydrophobicContact CE-CB 4.39Å; M77-L106 HydrophobicContact SD-CB 3.88Å |
| 78 | A | 86.3 | Confident | 84.9 | Confident | 5 Ų | 5 | 77 Ų | 77 | 4% | 0.041 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 14.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N22 L26 M74 Y76 P80 L99 | N22-A78 HydrophobicContact CB-CB 4.04Å; L26-A78 HydrophobicContact CD1-CB 4.06Å; M74-A78 WeakPolarHBondContact O-CB 3.2Å; M74-A78 PolarHBondContact O-N 2.79Å; M74-A78 VanDerWaalsContact O-N 3.07Å; Y76-A78 VanDerWaalsContact C-N 3.3Å; Y76-A78 PolarHBondContact O-N 2.84Å; A78-P80 VanDerWaalsContact O-CD 3.3Å; A78-P80 WeakPolarHBondContact O-CD 3.46Å; A78-L99 HydrophobicContact CB-CD1 3.56Å; A78-L99 HydrophobicContact CB-CD2 4.39Å; A78-L99 HydrophobicContact CB-CG 3.88Å |
| 79 | S | 83.7 | Confident | 84 | Confident | 67 Ų | 67 | 78.1 Ų | 78.1 | 47% | 0.469 | 41% | 0.413 | S | S | . | . | trans | -71.3 | 118.7 | -179.8 | -71.9 | 0 | 0 | 0 | 0 | 110.2 | S75 Y76 M77 | S75-S79 PolarHBondContact O-N 3.45Å; S75-S79 PolarHBondContact O-OG 3.16Å; Y76-S79 VanDerWaalsContact O-CB 3.29Å; Y76-S79 WeakPolarHBondContact O-CB 3.5Å; Y76-S79 PolarHBondContact O-N 3.28Å; Y76-S79 PolarHBondContact O-OG 2.85Å; M77-S79 VanDerWaalsContact C-N 3.29Å; M77-S79 PolarHBondContact O-N 3.43Å | ||
| 80 | P | 84.1 | Confident | 83 | Confident | 40 Ų | 40 | 84.9 Ų | 84.9 | 26% | 0.26 | 43% | 0.425 | S | S | . | . | trans | -74.1 | 148.5 | -179.3 | 31.8 | -38.2 | 0 | 0 | 0 | 111.8 | A78 Y82 L92 D94 | A78-P80 VanDerWaalsContact O-CD 3.3Å; A78-P80 WeakPolarHBondContact O-CD 3.46Å; P80-Y82 HydrophobicContact CB-CE2 3.97Å; P80-Y82 HydrophobicContact CG-CE2 3.53Å; P80-Y82 VanDerWaalsContact CG-OH 3.31Å; P80-Y82 WeakPolarHBondContact CG-OH 3.46Å; P80-L92 HydrophobicContact CB-CD1 3.52Å; P80-D94 CarbonylContact C-O 3.6Å; P80-D94 WeakPolarHBondContact CA-O 3.38Å | ||
| 81 | S | 78.8 | Confident | 82.2 | Confident | 66 Ų | 66 | 88.6 Ų | 88.6 | 46% | 0.462 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.2 | 167.7 | -164.3 | 0 | 0 | 0 | 0 | 110.5 | V93 D94 | S81-V93 PolarHBondContact O-N 2.85Å; S81-D94 PolarHBondContact N-O 3.46Å; S81-D94 PolarHBondContact O-N 3.28Å |
| 82 | Y | 78.2 | Confident | 81.4 | Confident | 117 Ų | 117 | 88.4 Ų | 88.4 | 46% | 0.459 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132 | 178.1 | -57.9 | -82.7 | 0 | 0 | 0 | 109.2 | H19 P80 Q91 L92 | H19-Y82 PolarHBondContact NE2-OH 3.45Å; P80-Y82 HydrophobicContact CB-CE2 3.97Å; P80-Y82 HydrophobicContact CG-CE2 3.53Å; P80-Y82 VanDerWaalsContact CG-OH 3.31Å; P80-Y82 WeakPolarHBondContact CG-OH 3.46Å; Y82-Q91 CarbonylContact C-O 3.14Å; Y82-Q91 WeakPolarHBondContact CA-O 3.32Å; Y82-L92 HydrophobicContact CD1-CB 4.21Å; Y82-L92 HydrophobicContact CD1-CD1 4.02Å; Y82-L92 HydrophobicContact CE1-CB 4.19Å; Y82-L92 HydrophobicContact CE1-CD1 3.61Å |
| 83 | A | 77.7 | Confident | 80.6 | Confident | 41 Ų | 41 | 86.3 Ų | 86.3 | 34% | 0.339 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 151 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q91 V93 | A83-Q91 PolarHBondContact N-O 3.37Å; A83-Q91 PolarHBondContact O-N 3.38Å; A83-V93 HydrophobicContact CB-CB 4.34Å; A83-V93 HydrophobicContact CB-CG2 3.27Å |
| 84 | V | 77.2 | Confident | 80 | Confident | 98 Ų | 98 | 85.8 Ų | 85.8 | 59% | 0.594 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.5 | 174.4 | -177.7 | 0 | 0 | 0 | 0 | 107.4 | R90 | V84-R90 HydrophobicContact CG2-CG 4.4Å |
| 85 | N | 73.6 | Confident | 79.4 | Confident | 68 Ų | 68 | 85.8 Ų | 85.8 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | trans | -73.6 | 166.9 | 173.2 | -76.3 | -17.9 | 0 | 0 | 0 | 111.4 | R87 G88 T89 Q91 | N85-R87 PolarHBondContact O-N 3.38Å; N85-G88 WeakPolarHBondContact O-CA 3.36Å; N85-G88 PolarHBondContact O-N 2.91Å; N85-T89 PolarHBondContact N-O 3.19Å; N85-Q91 PolarHBondContact ND2-OE1 2.83Å | ||
| 86 | E | 77.2 | Confident | 79 | Confident | 206 Ų | 206 | 85.4 Ų | 85.4 | 96% | 0.963 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -26 | 174.7 | -60.2 | 175.2 | 179.2 | 0 | 0 | 113.8 | G88 | E86-G88 VanDerWaalsContact C-N 3.28Å; E86-G88 PolarHBondContact O-N 2.89Å |
| 87 | R | 77.5 | Confident | 78.5 | Confident | 232 Ų | 232 | 80.9 Ų | 80.9 | 88% | 0.875 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 8.3 | 175.2 | -62 | -173 | -177.7 | -157.3 | 0.2 | 114.5 | N85 T89 | N85-R87 PolarHBondContact O-N 3.38Å; R87-T89 PolarHBondContact O-N 3.46Å |
| 88 | G | 76.4 | Confident | 78.4 | Confident | 58 Ų | 58 | 80.3 Ų | 80.3 | 60% | 0.598 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 69.7 | 7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | N85 E86 | N85-G88 WeakPolarHBondContact O-CA 3.36Å; N85-G88 PolarHBondContact O-N 2.91Å; E86-G88 VanDerWaalsContact C-N 3.28Å; E86-G88 PolarHBondContact O-N 2.89Å |
| 89 | T | 75.1 | Confident | 78.2 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 53% | 0.534 | 43% | 0.425 | S | S | . | . | trans | -90.5 | 133.9 | -179.1 | -50.3 | 0 | 0 | 0 | 0 | 110.5 | N85 R87 Q91 | N85-T89 PolarHBondContact N-O 3.19Å; R87-T89 PolarHBondContact O-N 3.46Å; T89-Q91 PolarHBondContact O-N 3.4Å | ||
| 90 | R | 72.4 | Confident | 78.1 | Confident | 202 Ų | 202 | 80.1 Ų | 80.1 | 76% | 0.762 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 110.8 | 173.1 | -73.3 | -178.1 | 177.4 | 159.8 | 0.1 | 109.8 | V84 | V84-R90 HydrophobicContact CG2-CG 4.4Å |
| 91 | Q | 74.1 | Confident | 77.4 | Confident | 93 Ų | 93 | 81.5 Ų | 81.5 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.7 | 171.3 | -178.6 | 167.5 | -20.4 | 0 | 0 | 109.6 | Y82 A83 N85 T89 V93 | Y82-Q91 CarbonylContact C-O 3.14Å; Y82-Q91 WeakPolarHBondContact CA-O 3.32Å; A83-Q91 PolarHBondContact N-O 3.37Å; A83-Q91 PolarHBondContact O-N 3.38Å; N85-Q91 PolarHBondContact ND2-OE1 2.83Å; T89-Q91 PolarHBondContact O-N 3.4Å; Q91-V93 PolarHBondContact O-N 3.33Å |
| 92 | L | 76.7 | Confident | 76.6 | Confident | 27 Ų | 27 | 80.6 Ų | 80.6 | 14% | 0.141 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 117.6 | 169.7 | -176.7 | 75.4 | 0 | 0 | 0 | 108.4 | E15 K16 H19 P80 Y82 D94 | E15-L92 HydrophobicContact CB-CD2 4.23Å; E15-L92 WeakPolarHBondContact O-CD2 3.48Å; K16-L92 HydrophobicContact CG-CD2 4.32Å; H19-L92 HydrophobicContact CB-CD2 3.72Å; P80-L92 HydrophobicContact CB-CD1 3.52Å; Y82-L92 HydrophobicContact CD1-CB 4.21Å; Y82-L92 HydrophobicContact CD1-CD1 4.02Å; Y82-L92 HydrophobicContact CE1-CB 4.19Å; Y82-L92 HydrophobicContact CE1-CD1 3.61Å; L92-D94 WeakPolarHBondContact CD1-O 3.14Å |
| 93 | V | 76.9 | Confident | 75.7 | Confident | 84 Ų | 84 | 80.7 Ų | 80.7 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -38.1 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | S81 A83 Q91 | S81-V93 PolarHBondContact O-N 2.85Å; A83-V93 HydrophobicContact CB-CB 4.34Å; A83-V93 HydrophobicContact CB-CG2 3.27Å; Q91-V93 PolarHBondContact O-N 3.33Å |
| 94 | D | 77.9 | Confident | 75.1 | Confident | 79 Ų | 79 | 81.3 Ų | 81.3 | 42% | 0.422 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 124.2 | -179 | -176.1 | -9.5 | 0 | 0 | 0 | 108.3 | P80 S81 L92 G96 | P80-D94 CarbonylContact C-O 3.6Å; P80-D94 WeakPolarHBondContact CA-O 3.38Å; S81-D94 PolarHBondContact N-O 3.46Å; S81-D94 PolarHBondContact O-N 3.28Å; L92-D94 WeakPolarHBondContact CD1-O 3.14Å; D94-G96 PolarHBondContact O-N 2.92Å; D94-G96 WeakPolarHBondContact OD1-CA 3.4Å; D94-G96 PolarHBondContact OD1-N 2.85Å |
| 95 | A | 78.4 | Confident | 75 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 44% | 0.439 | C | S | . | . | trans | -71.5 | -8.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E15 I18 H19 | E15-A95 HydrophobicContact CB-CB 4.41Å; E15-A95 VanDerWaalsContact O-CB 3.25Å; E15-A95 WeakPolarHBondContact O-CB 3.38Å; E15-A95 VanDerWaalsContact OE2-CB 3.25Å; E15-A95 WeakPolarHBondContact OE2-CB 3.27Å; E15-A95 PolarHBondContact OE2-N 3.39Å; I18-A95 HydrophobicContact CB-CB 3.79Å; I18-A95 HydrophobicContact CG2-CB 3.63Å; H19-A95 HydrophobicContact CB-CB 3.96Å | ||
| 96 | G | 82.4 | Confident | 75.3 | Confident | 18 Ų | 18 | 79.9 Ų | 79.9 | 19% | 0.186 | 45% | 0.448 | C | S | . | . | trans | 83 | -173.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D94 D98 | D94-G96 PolarHBondContact O-N 2.92Å; D94-G96 WeakPolarHBondContact OD1-CA 3.4Å; D94-G96 PolarHBondContact OD1-N 2.85Å; G96-D98 PolarHBondContact O-N 3.33Å | ||
| 97 | L | 80.2 | Confident | 75.6 | Confident | 87 Ų | 87 | 70.3 Ų | 70.3 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -64.6 | 123.2 | 176.9 | -169.2 | 73 | 0 | 0 | 0 | 109.3 | N22 M77 L99 | N22-L97 PolarHBondContact ND2-O 2.9Å; M77-L97 HydrophobicContact CB-CB 4.25Å; M77-L97 HydrophobicContact CB-CD2 4.22Å; M77-L97 HydrophobicContact CG-CD2 4.38Å; M77-L97 WeakPolarHBondContact O-CB 3.23Å; M77-L97 PolarHBondContact O-N 3.25Å; M77-L97 HydrophobicContact SD-CD2 3.84Å; L97-L99 PolarHBondContact O-N 3.48Å; L97-L99 VanDerWaalsContact O-N 3.11Å |
| 98 | D | 82.5 | Confident | 76 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.064 | 38% | 0.377 | C | S | . | . | trans | -63.1 | 115.5 | 171 | -176.4 | -18.1 | 0 | 0 | 0 | 108.1 | K13 I18 G96 N100 I101 | K13-D98 IonicContact NZ-OD2 2.74Å; I18-D98 HydrophobicContact CG2-CB 3.55Å; G96-D98 PolarHBondContact O-N 3.33Å; D98-N100 PolarHBondContact O-N 2.89Å; D98-N100 WeakPolarHBondContact OD1-CA 3.39Å; D98-N100 WeakPolarHBondContact OD1-CB 3.32Å; D98-N100 PolarHBondContact OD1-N 2.97Å; D98-I101 HydrophobicContact CB-CB 4.36Å; D98-I101 HydrophobicContact CB-CD1 3.77Å; D98-I101 HydrophobicContact CB-CG1 3.65Å; D98-I101 HydrophobicContact CB-CG2 4.02Å; D98-I101 VanDerWaalsContact CG-CG2 3.49Å; D98-I101 VanDerWaalsContact O-CG1 3.29Å; D98-I101 WeakPolarHBondContact O-CG1 3.38Å; D98-I101 PolarHBondContact OD1-N 3.46Å; D98-I101 WeakPolarHBondContact OD2-CG2 3.38Å | ||
| 99 | L | 82.2 | Confident | 76.5 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -75.3 | -16.3 | -178.7 | -65.4 | 172.8 | 0 | 0 | 0 | 111.7 | N22 L26 M74 M77 A78 L97 K111 | N22-L99 WeakPolarHBondContact OD1-CB 3.44Å; N22-L99 PolarHBondContact OD1-N 2.85Å; L26-L99 HydrophobicContact CD2-CD1 4.29Å; L26-L99 HydrophobicContact CG-CD1 4.23Å; M74-L99 HydrophobicContact CG-CD1 3.38Å; M74-L99 HydrophobicContact CG-CD2 3.72Å; M74-L99 HydrophobicContact CG-CG 4.17Å; M74-L99 HydrophobicContact SD-CD1 4Å; M77-L99 HydrophobicContact CB-CD2 4.17Å; M77-L99 HydrophobicContact CE-CD2 3.98Å; A78-L99 HydrophobicContact CB-CD1 3.56Å; A78-L99 HydrophobicContact CB-CD2 4.39Å; A78-L99 HydrophobicContact CB-CG 3.88Å; L97-L99 PolarHBondContact O-N 3.48Å; L97-L99 VanDerWaalsContact O-N 3.11Å; L99-K111 WeakPolarHBondContact O-CE 3.15Å; L99-K111 PolarHBondContact O-NZ 2.96Å |
| 100 | N | 80.6 | Confident | 77.1 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 34% | 0.337 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -103.1 | -5.1 | -173.1 | -64.7 | -27 | 0 | 0 | 0 | 113.5 | T25 D98 K111 | T25-N100 PolarHBondContact OG1-ND2 3.45Å; T25-N100 PolarHBondContact OG1-OD1 3.06Å; D98-N100 PolarHBondContact O-N 2.89Å; D98-N100 WeakPolarHBondContact OD1-CA 3.39Å; D98-N100 WeakPolarHBondContact OD1-CB 3.32Å; D98-N100 PolarHBondContact OD1-N 2.97Å; N100-K111 PolarHBondContact OD1-NZ 3Å |
| 101 | I | 70.5 | Confident | 78.1 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 35% | 0.354 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -84.6 | 137.7 | 173 | 57.1 | 173.2 | 0 | 0 | 0 | 111.7 | D98 | D98-I101 HydrophobicContact CB-CB 4.36Å; D98-I101 HydrophobicContact CB-CD1 3.77Å; D98-I101 HydrophobicContact CB-CG1 3.65Å; D98-I101 HydrophobicContact CB-CG2 4.02Å; D98-I101 VanDerWaalsContact CG-CG2 3.49Å; D98-I101 VanDerWaalsContact O-CG1 3.29Å; D98-I101 WeakPolarHBondContact O-CG1 3.38Å; D98-I101 PolarHBondContact OD1-N 3.46Å; D98-I101 WeakPolarHBondContact OD2-CG2 3.38Å |
| 102 | G | 60.3 | Low | 78.9 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 47% | 0.474 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 74.7 | 124.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | G104 | G102-G104 PolarHBondContact O-N 3.46Š|
| 103 | S | 59.3 | Low | 79.5 | Confident | 120 Ų | 120 | 48.2 Ų | 48.2 | 84% | 0.839 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 115.8 | 165.8 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | E108 | S103-E108 VanDerWaalsContact CA-OE2 3.23Å; S103-E108 WeakPolarHBondContact CA-OE2 3.21Å |
| 104 | G | 64.9 | Low | 80.3 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 55% | 0.546 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 112.1 | 1.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G102 E108 | G102-G104 PolarHBondContact O-N 3.46Å; G104-E108 PolarHBondContact N-OE2 3.18Å |
| 105 | G | 76 | Confident | 81.1 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | trans | -71.2 | 163.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G107 E108 Q109 | G105-G107 PolarHBondContact O-N 2.84Å; G105-E108 PolarHBondContact O-N 3.24Å; G105-Q109 PolarHBondContact O-N 3.35Å | ||
| 106 | L | 79.5 | Confident | 81.7 | Confident | 103 Ų | 103 | 46.9 Ų | 46.9 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.8 | -32.1 | 174.4 | -68.5 | 172.7 | 0 | 0 | 0 | 112.4 | F73 M77 Q109 A110 | F73-L106 HydrophobicContact CE1-CB 4.11Å; F73-L106 HydrophobicContact CZ-CB 4.11Å; F73-L106 HydrophobicContact CZ-CD1 4.29Å; M77-L106 HydrophobicContact CE-CB 4.39Å; M77-L106 HydrophobicContact SD-CB 3.88Å; L106-Q109 PolarHBondContact O-N 2.98Å; L106-A110 PolarHBondContact O-N 3.38Å; L106-A110 VanDerWaalsContact O-N 3.12Å |
| 107 | G | 84.2 | Confident | 82.2 | Confident | 5 Ų | 5 | 46 Ų | 46 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G105 A110 K111 | G105-G107 PolarHBondContact O-N 2.84Å; G107-A110 PolarHBondContact O-N 3.24Å; G107-K111 WeakPolarHBondContact O-CG 3.27Å; G107-K111 PolarHBondContact O-N 2.86Å |
| 108 | E | 86.5 | Confident | 82.8 | Confident | 66 Ų | 66 | 42.1 Ų | 42.1 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 177.2 | -175 | 178.4 | 169.3 | 0 | 0 | 111.7 | S103 G104 G105 A110 K111 D112 | S103-E108 VanDerWaalsContact CA-OE2 3.23Å; S103-E108 WeakPolarHBondContact CA-OE2 3.21Å; G104-E108 PolarHBondContact N-OE2 3.18Å; G105-E108 PolarHBondContact O-N 3.24Å; E108-A110 PolarHBondContact O-N 3.46Å; E108-K111 WeakPolarHBondContact O-CA 3.43Å; E108-K111 WeakPolarHBondContact O-CB 3.19Å; E108-K111 PolarHBondContact O-N 3.39Å; E108-D112 PolarHBondContact O-N 3.47Å |
| 109 | Q | 85.3 | Confident | 83.3 | Confident | 56 Ų | 56 | 45.9 Ų | 45.9 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.6 | -37.2 | 176.1 | -62.2 | -57.8 | -39 | 0 | 0 | 111.8 | G105 L106 A113 | G105-Q109 PolarHBondContact O-N 3.35Å; L106-Q109 PolarHBondContact O-N 2.98Å; Q109-A113 WeakPolarHBondContact O-CB 3.34Å; Q109-A113 PolarHBondContact O-N 3.24Å |
| 110 | A | 89.2 | Confident | 83.8 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 5% | 0.05 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F73 M74 L106 G107 E108 A113 I114 | F73-A110 HydrophobicContact CD1-CB 4.01Å; F73-A110 HydrophobicContact CE1-CB 4.48Å; M74-A110 HydrophobicContact CB-CB 4.31Å; M74-A110 HydrophobicContact CE-CB 3.76Å; L106-A110 PolarHBondContact O-N 3.38Å; L106-A110 VanDerWaalsContact O-N 3.12Å; G107-A110 PolarHBondContact O-N 3.24Å; E108-A110 PolarHBondContact O-N 3.46Å; A110-A113 PolarHBondContact O-N 3.07Å; A110-I114 WeakPolarHBondContact O-CG1 3.29Å; A110-I114 PolarHBondContact O-N 3.26Å; A110-I114 VanDerWaalsContact O-N 3.16Å |
| 111 | K | 91.7 | Very high | 84.4 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 12% | 0.122 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 174.8 | -69.3 | 175.2 | -164.3 | 179.3 | 0 | 111.3 | Y29 M74 L99 N100 G107 E108 A113 I114 I115 | Y29-K111 HydrophobicContact CD2-CG 4.44Å; Y29-K111 HydrophobicContact CE1-CB 3.89Å; Y29-K111 HydrophobicContact CE1-CG 4.12Å; Y29-K111 HydrophobicContact CE2-CB 4.35Å; Y29-K111 HydrophobicContact CE2-CD 3.98Å; Y29-K111 HydrophobicContact CE2-CG 3.72Å; Y29-K111 WeakPolarHBondContact OH-CB 3.42Å; M74-K111 HydrophobicContact CE-CB 4.18Å; M74-K111 HydrophobicContact CE-CG 3.46Å; M74-K111 VanDerWaalsContact CE-CG 3.46Å; M74-K111 HydrophobicContact SD-CG 4.4Å; L99-K111 WeakPolarHBondContact O-CE 3.15Å; L99-K111 PolarHBondContact O-NZ 2.96Å; N100-K111 PolarHBondContact OD1-NZ 3Å; G107-K111 WeakPolarHBondContact O-CG 3.27Å; G107-K111 PolarHBondContact O-N 2.86Å; E108-K111 WeakPolarHBondContact O-CA 3.43Å; E108-K111 WeakPolarHBondContact O-CB 3.19Å; E108-K111 PolarHBondContact O-N 3.39Å; K111-A113 VanDerWaalsContact C-N 3.32Å; K111-A113 PolarHBondContact O-N 3.12Å; K111-I114 PolarHBondContact O-N 3.01Å; K111-I115 WeakPolarHBondContact O-CG1 3.26Å; K111-I115 PolarHBondContact O-N 3.34Å |
| 112 | D | 91.1 | Very high | 85.4 | Confident | 56 Ų | 56 | 43 Ų | 43 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 177 | -81.1 | 0.6 | 0 | 0 | 0 | 110.7 | E108 I114 I115 M116 | E108-D112 PolarHBondContact O-N 3.47Å; D112-I114 VanDerWaalsContact C-N 3.33Å; D112-I114 PolarHBondContact O-N 3.4Å; D112-I115 PolarHBondContact O-N 3.49Å; D112-M116 VanDerWaalsContact O-CB 3.27Å; D112-M116 WeakPolarHBondContact O-CB 3.36Å; D112-M116 WeakPolarHBondContact O-CG 3.47Å; D112-M116 PolarHBondContact O-N 3.36Å |
| 113 | A | 90.4 | Very high | 87 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A70 Q109 A110 K111 C117 | A70-A113 HydrophobicContact CB-CB 4.1Å; Q109-A113 WeakPolarHBondContact O-CB 3.34Å; Q109-A113 PolarHBondContact O-N 3.24Å; A110-A113 PolarHBondContact O-N 3.07Å; K111-A113 VanDerWaalsContact C-N 3.32Å; K111-A113 PolarHBondContact O-N 3.12Å; A113-C117 WeakPolarHBondContact O-CB 3.42Å; A113-C117 PolarHBondContact O-N 3.48Å; A113-C117 PolarHBondContact O-SG 2.9Å |
| 114 | I | 93.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 178.9 | -63.2 | 166.9 | 0 | 0 | 0 | 111.2 | Y29 F33 A70 M74 A110 K111 D112 C117 S118 | Y29-I114 HydrophobicContact CD1-CB 4.08Å; Y29-I114 HydrophobicContact CD1-CD1 4.29Å; Y29-I114 HydrophobicContact CD1-CG2 3.88Å; Y29-I114 HydrophobicContact CG-CD1 4.48Å; F33-I114 HydrophobicContact CB-CG2 3.94Å; F33-I114 HydrophobicContact CD1-CG2 4.38Å; A70-I114 HydrophobicContact CB-CD1 4.36Å; A70-I114 HydrophobicContact CB-CG1 3.83Å; M74-I114 HydrophobicContact CE-CD1 3.75Å; A110-I114 WeakPolarHBondContact O-CG1 3.29Å; A110-I114 PolarHBondContact O-N 3.26Å; A110-I114 VanDerWaalsContact O-N 3.16Å; K111-I114 PolarHBondContact O-N 3.01Å; D112-I114 VanDerWaalsContact C-N 3.33Å; D112-I114 PolarHBondContact O-N 3.4Å; I114-C117 PolarHBondContact O-N 2.92Å; I114-S118 WeakPolarHBondContact O-CB 3.44Å; I114-S118 PolarHBondContact O-N 3.37Å; I114-S118 PolarHBondContact O-OG 3.03Å |
| 115 | I | 93.5 | Very high | 89.6 | Confident | 58 Ų | 58 | 37 Ų | 37 | 30% | 0.297 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.1 | -47.7 | 178.1 | -72.4 | 163.6 | 0 | 0 | 0 | 110.2 | Y29 L32 K111 D112 C117 S118 L119 | Y29-I115 HydrophobicContact CE1-CD1 3.8Å; Y29-I115 HydrophobicContact CE1-CG1 3.78Å; L32-I115 HydrophobicContact CD2-CG1 4.16Å; K111-I115 WeakPolarHBondContact O-CG1 3.26Å; K111-I115 PolarHBondContact O-N 3.34Å; D112-I115 PolarHBondContact O-N 3.49Å; I115-C117 PolarHBondContact O-N 2.88Å; I115-S118 PolarHBondContact O-N 3.25Å; I115-L119 HydrophobicContact CG2-CD1 3.82Å; I115-L119 HydrophobicContact CG2-CG 4.26Å; I115-L119 WeakPolarHBondContact O-CB 3.39Å; I115-L119 WeakPolarHBondContact O-CG 3.47Å; I115-L119 PolarHBondContact O-N 3.2Å |
| 116 | M | 91.9 | Very high | 90.3 | Very high | 76 Ų | 76 | 41.6 Ų | 41.6 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 179.8 | -70.8 | -64.3 | -84.1 | 0 | 0 | 111 | D112 S118 L119 V120 I136 | D112-M116 VanDerWaalsContact O-CB 3.27Å; D112-M116 WeakPolarHBondContact O-CB 3.36Å; D112-M116 WeakPolarHBondContact O-CG 3.47Å; D112-M116 PolarHBondContact O-N 3.36Å; M116-S118 VanDerWaalsContact C-N 3.35Å; M116-S118 PolarHBondContact O-N 3.4Å; M116-L119 PolarHBondContact O-N 2.79Å; M116-V120 WeakPolarHBondContact O-CB 3.29Å; M116-V120 VanDerWaalsContact O-CG2 3.25Å; M116-V120 WeakPolarHBondContact O-CG2 3.38Å; M116-V120 PolarHBondContact O-N 3.49Å; M116-I136 HydrophobicContact CE-CG2 4.32Å |
| 117 | C | 92.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 176 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | C67 A113 I114 I115 L119 V120 T121 I137 | C67-C117 WeakPolarHBondContact SG-CB 3.28Å; A113-C117 WeakPolarHBondContact O-CB 3.42Å; A113-C117 PolarHBondContact O-N 3.48Å; A113-C117 PolarHBondContact O-SG 2.9Å; I114-C117 PolarHBondContact O-N 2.92Å; I115-C117 PolarHBondContact O-N 2.88Å; C117-L119 VanDerWaalsContact C-N 3.33Å; C117-L119 PolarHBondContact O-N 3.19Å; C117-V120 PolarHBondContact O-N 2.77Å; C117-T121 WeakPolarHBondContact O-CB 3.34Å; C117-T121 PolarHBondContact O-N 2.95Å; C117-T121 PolarHBondContact O-OG1 2.92Å; C117-T121 VanDerWaalsContact O-OG1 3.06Å; C117-I137 WeakPolarHBondContact SG-CD1 3.43Å |
| 118 | S | 93.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 178.4 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | I114 I115 M116 T121 M122 | I114-S118 WeakPolarHBondContact O-CB 3.44Å; I114-S118 PolarHBondContact O-N 3.37Å; I114-S118 PolarHBondContact O-OG 3.03Å; I115-S118 PolarHBondContact O-N 3.25Å; M116-S118 VanDerWaalsContact C-N 3.35Å; M116-S118 PolarHBondContact O-N 3.4Å; S118-T121 PolarHBondContact O-N 3.48Å; S118-M122 WeakPolarHBondContact O-CG 3.48Å; S118-M122 PolarHBondContact O-N 2.86Å |
| 119 | L | 93.2 | Very high | 90.5 | Very high | 90 Ų | 90 | 49.2 Ų | 49.2 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.9 | -45.9 | 174.3 | -73.5 | 173.4 | 0 | 0 | 0 | 112 | I115 M116 C117 T121 M122 L123 | I115-L119 HydrophobicContact CG2-CD1 3.82Å; I115-L119 HydrophobicContact CG2-CG 4.26Å; I115-L119 WeakPolarHBondContact O-CB 3.39Å; I115-L119 WeakPolarHBondContact O-CG 3.47Å; I115-L119 PolarHBondContact O-N 3.2Å; M116-L119 PolarHBondContact O-N 2.79Å; C117-L119 VanDerWaalsContact C-N 3.33Å; C117-L119 PolarHBondContact O-N 3.19Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 3.06Å; L119-M122 PolarHBondContact O-N 2.92Å; L119-L123 WeakPolarHBondContact O-CB 3.31Å; L119-L123 VanDerWaalsContact O-CG 3.3Å; L119-L123 WeakPolarHBondContact O-CG 3.34Å; L119-L123 PolarHBondContact O-N 2.69Å |
| 120 | V | 92.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 176.2 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | M116 C117 M122 L123 S124 W131 L133 L134 | M116-V120 WeakPolarHBondContact O-CB 3.29Å; M116-V120 VanDerWaalsContact O-CG2 3.25Å; M116-V120 WeakPolarHBondContact O-CG2 3.38Å; M116-V120 PolarHBondContact O-N 3.49Å; C117-V120 PolarHBondContact O-N 2.77Å; V120-M122 PolarHBondContact O-N 2.95Å; V120-L123 PolarHBondContact O-N 3.43Å; V120-S124 VanDerWaalsContact O-CB 3.25Å; V120-S124 WeakPolarHBondContact O-CB 3.47Å; V120-S124 PolarHBondContact O-N 2.75Å; V120-W131 HydrophobicContact CG1-CE3 4.35Å; V120-L133 HydrophobicContact CG2-CB 3.77Å; V120-L134 HydrophobicContact CG1-CB 4.47Å; V120-L134 HydrophobicContact CG1-CD1 4.41Å |
| 121 | T | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 177.2 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | Y37 Y40 C117 S118 L119 S124 | Y37-T121 HydrophobicContact CD2-CG2 4.39Å; Y37-T121 HydrophobicContact CE2-CG2 4.32Å; Y37-T121 PolarHBondContact OH-OG1 3.41Å; Y40-T121 VanDerWaalsContact CB-CG2 3.45Å; Y40-T121 HydrophobicContact CD1-CG2 4.22Å; Y40-T121 HydrophobicContact CD2-CG2 3.93Å; Y40-T121 WeakPolarHBondContact CD2-O 3.38Å; Y40-T121 HydrophobicContact CG-CG2 3.59Å; C117-T121 WeakPolarHBondContact O-CB 3.34Å; C117-T121 PolarHBondContact O-N 2.95Å; C117-T121 PolarHBondContact O-OG1 2.92Å; C117-T121 VanDerWaalsContact O-OG1 3.06Å; S118-T121 PolarHBondContact O-N 3.48Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 3.06Å; T121-S124 PolarHBondContact O-N 3.11Å; T121-S124 PolarHBondContact O-OG 2.93Å |
| 122 | M | 93.2 | Very high | 90 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.1 | -46.2 | 177.7 | -69.2 | -59 | -62.5 | 0 | 0 | 112.9 | C36 V39 S118 L119 V120 S124 L125 | C36-M122 HydrophobicContact CB-CG 4.09Å; C36-M122 HydrophobicContact CB-SD 4.02Å; V39-M122 HydrophobicContact CG1-CE 4.28Å; V39-M122 HydrophobicContact CG1-SD 4.4Å; S118-M122 WeakPolarHBondContact O-CG 3.48Å; S118-M122 PolarHBondContact O-N 2.86Å; L119-M122 PolarHBondContact O-N 2.92Å; V120-M122 PolarHBondContact O-N 2.95Å; M122-S124 PolarHBondContact O-N 3.06Å; M122-L125 WeakPolarHBondContact O-CB 3.35Å; M122-L125 PolarHBondContact O-N 3.26Å |
| 123 | L | 93.1 | Very high | 89.8 | Confident | 56 Ų | 56 | 55.8 Ų | 55.8 | 29% | 0.293 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.2 | -30.3 | 178.5 | -72.4 | 173.6 | 0 | 0 | 0 | 112 | L119 V120 L125 I126 H127 F130 L133 | L119-L123 WeakPolarHBondContact O-CB 3.31Å; L119-L123 VanDerWaalsContact O-CG 3.3Å; L119-L123 WeakPolarHBondContact O-CG 3.34Å; L119-L123 PolarHBondContact O-N 2.69Å; V120-L123 PolarHBondContact O-N 3.43Å; L123-L125 PolarHBondContact O-N 2.83Å; L123-L125 VanDerWaalsContact O-N 3.16Å; L123-I126 HydrophobicContact CD2-CD1 4.1Å; L123-I126 WeakPolarHBondContact O-CB 3.49Å; L123-I126 PolarHBondContact O-N 3.27Å; L123-H127 PolarHBondContact O-N 3.01Å; L123-F130 HydrophobicContact CB-CB 3.9Å; L123-F130 HydrophobicContact CB-CD1 4.23Å; L123-F130 HydrophobicContact CB-CD2 3.85Å; L123-F130 HydrophobicContact CB-CE2 4.43Å; L123-F130 HydrophobicContact CB-CG 3.74Å; L123-F130 HydrophobicContact CD1-CD1 4.26Å; L123-F130 HydrophobicContact CD1-CE1 4.46Å; L123-F130 WeakPolarHBondContact O-CD2 3.3Å; L123-L133 HydrophobicContact CD1-CD1 4.25Å |
| 124 | S | 90.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -20.8 | 178 | 77.9 | 0 | 0 | 0 | 0 | 113.8 | Y40 V120 T121 M122 | Y40-S124 WeakPolarHBondContact CE2-OG 3.25Å; V120-S124 VanDerWaalsContact O-CB 3.25Å; V120-S124 WeakPolarHBondContact O-CB 3.47Å; V120-S124 PolarHBondContact O-N 2.75Å; T121-S124 PolarHBondContact O-N 3.11Å; T121-S124 PolarHBondContact O-OG 2.93Å; M122-S124 PolarHBondContact O-N 3.06Å |
| 125 | L | 89.1 | Confident | 89.1 | Confident | 30 Ų | 30 | 60.8 Ų | 60.8 | 16% | 0.157 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.4 | -30.7 | 171.4 | -64 | 173.6 | 0 | 0 | 0 | 112.5 | Y40 I43 M122 L123 | Y40-L125 HydrophobicContact CD2-CD2 3.48Å; Y40-L125 VanDerWaalsContact CD2-CD2 3.48Å; Y40-L125 HydrophobicContact CD2-CG 3.81Å; Y40-L125 HydrophobicContact CE2-CD2 3.87Å; Y40-L125 HydrophobicContact CE2-CG 4.42Å; Y40-L125 HydrophobicContact CG-CD2 4.38Å; I43-L125 HydrophobicContact CB-CD1 4.41Å; I43-L125 HydrophobicContact CB-CD2 4.06Å; I43-L125 HydrophobicContact CD1-CD1 3.81Å; I43-L125 HydrophobicContact CG2-CD1 4.48Å; I43-L125 HydrophobicContact CG2-CD2 3.85Å; M122-L125 WeakPolarHBondContact O-CB 3.35Å; M122-L125 PolarHBondContact O-N 3.26Å; L123-L125 PolarHBondContact O-N 2.83Å; L123-L125 VanDerWaalsContact O-N 3.16Å |
| 126 | I | 90.4 | Very high | 88.7 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 66% | 0.662 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -78.8 | -47 | 177.4 | -54.4 | 177.2 | 0 | 0 | 0 | 109.4 | L123 | L123-I126 HydrophobicContact CD2-CD1 4.1Å; L123-I126 WeakPolarHBondContact O-CB 3.49Å; L123-I126 PolarHBondContact O-N 3.27Å |
| 127 | H | 87.2 | Confident | 88.3 | Confident | 93 Ų | 93 | 58.6 Ų | 58.6 | 43% | 0.431 | 28% | 0.281 | S | S | . | . | trans | -149.7 | 134.7 | -179.8 | -150.4 | -83.3 | 0 | 0 | 0 | 113.2 | L123 Y129 F130 | L123-H127 PolarHBondContact O-N 3.01Å; H127-Y129 VanDerWaalsContact C-N 3.26Å; H127-Y129 AromaticContact CE1-CD2 2.99Å; H127-Y129 WeakPolarHBondContact CE1-CD2 3.45Å; H127-Y129 AromaticContact CE1-CE2 3.37Å; H127-Y129 WeakPolarHBondContact CE1-CE2 3.28Å; H127-Y129 AromaticContact CE1-CG 3.88Å; H127-Y129 AromaticContact ND1-CD2 3.2Å; H127-Y129 WeakPolarHBondContact ND1-CD2 3.44Å; H127-Y129 AromaticContact ND1-CG 3.7Å; H127-Y129 PolarHBondContact ND1-N 2.86Å; H127-Y129 PolarHBondContact O-N 3.31Å; H127-F130 HydrophobicContact CB-CD2 3.54Å; H127-F130 HydrophobicContact CB-CE2 3.53Å; H127-F130 WeakPolarHBondContact O-CB 3.29Å; H127-F130 VanDerWaalsContact O-CD2 3.26Å; H127-F130 WeakPolarHBondContact O-CD2 3.45Å; H127-F130 PolarHBondContact O-N 2.88Å; H127-F130 VanDerWaalsContact O-N 3.16Å | ||
| 128 | Q | 80.9 | Confident | 87.8 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 33% | 0.332 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -68.6 | -22.1 | -176.6 | -69.9 | 163.6 | 22.9 | 0 | 0 | 113.9 | Y56 F130 W131 | Y56-Q128 HydrophobicContact CE1-CB 3.99Å; Y56-Q128 HydrophobicContact CE1-CG 4.18Å; Y56-Q128 PolarHBondContact OH-OE1 2.89Å; Q128-F130 PolarHBondContact O-N 3.21Å; Q128-W131 VanDerWaalsContact O-CD1 3.24Å; Q128-W131 PolarHBondContact O-N 3.2Å |
| 129 | Y | 85.3 | Confident | 87.3 | Confident | 169 Ų | 169 | 66.8 Ų | 66.8 | 66% | 0.663 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -65.5 | -19.2 | 175.3 | -68.6 | -52.4 | 0 | 0 | 0 | 113.1 | H127 W131 F132 | H127-Y129 VanDerWaalsContact C-N 3.26Å; H127-Y129 AromaticContact CE1-CD2 2.99Å; H127-Y129 WeakPolarHBondContact CE1-CD2 3.45Å; H127-Y129 AromaticContact CE1-CE2 3.37Å; H127-Y129 WeakPolarHBondContact CE1-CE2 3.28Å; H127-Y129 AromaticContact CE1-CG 3.88Å; H127-Y129 AromaticContact ND1-CD2 3.2Å; H127-Y129 WeakPolarHBondContact ND1-CD2 3.44Å; H127-Y129 AromaticContact ND1-CG 3.7Å; H127-Y129 PolarHBondContact ND1-N 2.86Å; H127-Y129 PolarHBondContact O-N 3.31Å; Y129-W131 PolarHBondContact O-N 3.43Å; Y129-W131 VanDerWaalsContact O-N 3.16Å; Y129-F132 HydrophobicContact CD1-CD2 4.2Å; Y129-F132 AromaticContact CD1-CE2 3.94Å; Y129-F132 HydrophobicContact CD1-CE2 3.94Å; Y129-F132 WeakPolarHBondContact O-CB 3.43Å; Y129-F132 WeakPolarHBondContact O-CD2 3.22Å; Y129-F132 PolarHBondContact O-N 2.81Å |
| 130 | F | 88.1 | Confident | 86.8 | Confident | 70 Ų | 70 | 68 Ų | 68 | 31% | 0.307 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -66.2 | -15.7 | 177.3 | -70.6 | -63.8 | 0 | 0 | 0 | 113.3 | L123 H127 Q128 F132 L133 | L123-F130 HydrophobicContact CB-CB 3.9Å; L123-F130 HydrophobicContact CB-CD1 4.23Å; L123-F130 HydrophobicContact CB-CD2 3.85Å; L123-F130 HydrophobicContact CB-CE2 4.43Å; L123-F130 HydrophobicContact CB-CG 3.74Å; L123-F130 HydrophobicContact CD1-CD1 4.26Å; L123-F130 HydrophobicContact CD1-CE1 4.46Å; L123-F130 WeakPolarHBondContact O-CD2 3.3Å; H127-F130 HydrophobicContact CB-CD2 3.54Å; H127-F130 HydrophobicContact CB-CE2 3.53Å; H127-F130 WeakPolarHBondContact O-CB 3.29Å; H127-F130 VanDerWaalsContact O-CD2 3.26Å; H127-F130 WeakPolarHBondContact O-CD2 3.45Å; H127-F130 PolarHBondContact O-N 2.88Å; H127-F130 VanDerWaalsContact O-N 3.16Å; Q128-F130 PolarHBondContact O-N 3.21Å; F130-F132 PolarHBondContact O-N 3.2Å; F130-L133 HydrophobicContact CB-CD1 4.47Å; F130-L133 HydrophobicContact CD1-CD1 3.58Å; F130-L133 HydrophobicContact CD1-CG 4.2Å; F130-L133 HydrophobicContact CE1-CD1 4.33Å; F130-L133 HydrophobicContact CG-CD1 4.49Å; F130-L133 VanDerWaalsContact O-CB 3.26Å; F130-L133 WeakPolarHBondContact O-CB 3.43Å; F130-L133 PolarHBondContact O-N 3.5Å |
| 131 | W | 84.8 | Confident | 86.2 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 5% | 0.049 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -57.9 | -27.4 | 168.2 | -76.7 | 109.3 | 0 | 0 | 0 | 113 | Y40 Y56 L59 S60 C63 V120 Q128 Y129 L133 L134 | Y40-W131 HydrophobicContact CE2-CZ2 4.08Å; Y40-W131 AromaticContact CZ-CZ2 3.77Å; Y40-W131 WeakPolarHBondContact OH-CZ2 3.44Å; Y56-W131 AromaticContact CD1-CD1 3.58Å; Y56-W131 HydrophobicContact CD1-CG 4.38Å; Y56-W131 AromaticContact CD1-NE1 3.63Å; Y56-W131 AromaticContact CE1-CD1 3.75Å; L59-W131 HydrophobicContact CB-CD2 4.12Å; L59-W131 HydrophobicContact CB-CE3 3.76Å; L59-W131 HydrophobicContact CB-CZ3 4.09Å; L59-W131 HydrophobicContact CD1-CB 4.16Å; L59-W131 HydrophobicContact CD1-CD2 4.47Å; L59-W131 HydrophobicContact CD1-CG 4.24Å; S60-W131 VanDerWaalsContact CA-CH2 3.44Å; C63-W131 HydrophobicContact CB-CZ3 3.92Å; V120-W131 HydrophobicContact CG1-CE3 4.35Å; Q128-W131 VanDerWaalsContact O-CD1 3.24Å; Q128-W131 PolarHBondContact O-N 3.2Å; Y129-W131 PolarHBondContact O-N 3.43Å; Y129-W131 VanDerWaalsContact O-N 3.16Å; W131-L133 PolarHBondContact O-N 3.18Å; W131-L134 WeakPolarHBondContact O-CB 3.4Å; W131-L134 PolarHBondContact O-N 3.19Å |
| 132 | F | 84.2 | Confident | 85.8 | Confident | 139 Ų | 139 | 78.6 Ų | 78.6 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -68.3 | -22.1 | 174.8 | -71.3 | -71.2 | 0 | 0 | 0 | 112.9 | Y129 F130 L134 L135 | Y129-F132 HydrophobicContact CD1-CD2 4.2Å; Y129-F132 AromaticContact CD1-CE2 3.94Å; Y129-F132 HydrophobicContact CD1-CE2 3.94Å; Y129-F132 WeakPolarHBondContact O-CB 3.43Å; Y129-F132 WeakPolarHBondContact O-CD2 3.22Å; Y129-F132 PolarHBondContact O-N 2.81Å; F130-F132 PolarHBondContact O-N 3.2Å; F132-L134 PolarHBondContact O-N 3.37Å; F132-L135 HydrophobicContact CD1-CD1 3.99Å; F132-L135 WeakPolarHBondContact O-CB 3.36Å; F132-L135 PolarHBondContact O-N 2.8Å |
| 133 | L | 86.4 | Confident | 85.4 | Confident | 62 Ų | 62 | 81.7 Ų | 81.7 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -64 | -20.3 | 171.4 | -63.3 | -178.1 | 0 | 0 | 0 | 111.9 | V120 L123 F130 W131 L135 I136 | V120-L133 HydrophobicContact CG2-CB 3.77Å; L123-L133 HydrophobicContact CD1-CD1 4.25Å; F130-L133 HydrophobicContact CB-CD1 4.47Å; F130-L133 HydrophobicContact CD1-CD1 3.58Å; F130-L133 HydrophobicContact CD1-CG 4.2Å; F130-L133 HydrophobicContact CE1-CD1 4.33Å; F130-L133 HydrophobicContact CG-CD1 4.49Å; F130-L133 VanDerWaalsContact O-CB 3.26Å; F130-L133 WeakPolarHBondContact O-CB 3.43Å; F130-L133 PolarHBondContact O-N 3.5Å; W131-L133 PolarHBondContact O-N 3.18Å; L133-L135 PolarHBondContact O-N 2.96Å; L133-I136 HydrophobicContact CB-CD1 4.27Å; L133-I136 HydrophobicContact CD2-CD1 3.64Å; L133-I136 VanDerWaalsContact O-CB 3.23Å; L133-I136 WeakPolarHBondContact O-CB 3.37Å; L133-I136 WeakPolarHBondContact O-CG1 3.25Å; L133-I136 PolarHBondContact O-N 3.02Å |
| 134 | L | 84.5 | Confident | 84.8 | Confident | 31 Ų | 31 | 80.4 Ų | 80.4 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -59 | -29.2 | 172.1 | -163 | 76.4 | 0 | 0 | 0 | 111.8 | L59 C63 V120 W131 F132 I136 I137 P138 | L59-L134 HydrophobicContact CD2-CD2 4.42Å; C63-L134 HydrophobicContact CB-CD1 3.71Å; C63-L134 HydrophobicContact CB-CD2 4.26Å; C63-L134 VanDerWaalsContact SG-CD1 3.51Å; V120-L134 HydrophobicContact CG1-CB 4.47Å; V120-L134 HydrophobicContact CG1-CD1 4.41Å; W131-L134 WeakPolarHBondContact O-CB 3.4Å; W131-L134 PolarHBondContact O-N 3.19Å; F132-L134 PolarHBondContact O-N 3.37Å; L134-I136 PolarHBondContact O-N 2.95Å; L134-I137 HydrophobicContact CD1-CD1 3.67Å; L134-I137 HydrophobicContact CG-CD1 4.36Å; L134-I137 WeakPolarHBondContact O-CB 3.3Å; L134-I137 PolarHBondContact O-N 2.88Å; L134-P138 WeakPolarHBondContact O-CD 3.46Å |
| 135 | L | 83.9 | Confident | 84.3 | Confident | 99 Ų | 99 | 84.3 Ų | 84.3 | 52% | 0.518 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -64.9 | -19.5 | 174.8 | -80.7 | 153 | 0 | 0 | 0 | 113 | F132 L133 I137 P138 I139 | F132-L135 HydrophobicContact CD1-CD1 3.99Å; F132-L135 WeakPolarHBondContact O-CB 3.36Å; F132-L135 PolarHBondContact O-N 2.8Å; L133-L135 PolarHBondContact O-N 2.96Å; L135-I137 PolarHBondContact O-N 2.95Å; L135-P138 WeakPolarHBondContact O-CD 3.37Å; L135-P138 VanDerWaalsContact O-CG 3.27Å; L135-P138 WeakPolarHBondContact O-CG 3.5Å; L135-I139 VanDerWaalsContact O-CD1 3.29Å; L135-I139 WeakPolarHBondContact O-CD1 3.18Å; L135-I139 WeakPolarHBondContact O-CG1 3.38Å; L135-I139 PolarHBondContact O-N 3.4Å |
| 136 | I | 85.8 | Confident | 84 | Confident | 64 Ų | 64 | 87.8 Ų | 87.8 | 33% | 0.328 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.6 | -33 | 175.6 | -60.7 | 174 | 0 | 0 | 0 | 110.4 | M116 L133 L134 I139 R140 | M116-I136 HydrophobicContact CE-CG2 4.32Å; L133-I136 HydrophobicContact CB-CD1 4.27Å; L133-I136 HydrophobicContact CD2-CD1 3.64Å; L133-I136 VanDerWaalsContact O-CB 3.23Å; L133-I136 WeakPolarHBondContact O-CB 3.37Å; L133-I136 WeakPolarHBondContact O-CG1 3.25Å; L133-I136 PolarHBondContact O-N 3.02Å; L134-I136 PolarHBondContact O-N 2.95Å; I136-I139 PolarHBondContact O-N 3.02Å; I136-R140 HydrophobicContact CG2-CG 3.86Å; I136-R140 WeakPolarHBondContact O-CB 3.36Å; I136-R140 WeakPolarHBondContact O-CG 3.47Å; I136-R140 PolarHBondContact O-N 3.28Å |
| 137 | I | 83.3 | Confident | 83.6 | Confident | 23 Ų | 23 | 84.3 Ų | 84.3 | 12% | 0.118 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.9 | -55.4 | -179.6 | -63.6 | 159.7 | 0 | 0 | 0 | 112.3 | C117 L134 L135 I139 R140 L141 | C117-I137 WeakPolarHBondContact SG-CD1 3.43Å; L134-I137 HydrophobicContact CD1-CD1 3.67Å; L134-I137 HydrophobicContact CG-CD1 4.36Å; L134-I137 WeakPolarHBondContact O-CB 3.3Å; L134-I137 PolarHBondContact O-N 2.88Å; L135-I137 PolarHBondContact O-N 2.95Å; I137-I139 VanDerWaalsContact C-N 3.28Å; I137-I139 PolarHBondContact O-N 3.17Å; I137-R140 PolarHBondContact O-N 2.73Å; I137-L141 HydrophobicContact CG2-CD1 3.88Å; I137-L141 WeakPolarHBondContact O-CG 3.34Å; I137-L141 PolarHBondContact O-N 3.29Å |
| 138 | P | 81.1 | Confident | 83.2 | Confident | 69 Ų | 69 | 85 Ų | 85 | 45% | 0.448 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.8 | -33.2 | 177 | 24.6 | -33.2 | 0 | 0 | 0 | 112.2 | L134 L135 L141 F142 | L134-P138 WeakPolarHBondContact O-CD 3.46Å; L135-P138 WeakPolarHBondContact O-CD 3.37Å; L135-P138 VanDerWaalsContact O-CG 3.27Å; L135-P138 WeakPolarHBondContact O-CG 3.5Å; P138-L141 PolarHBondContact O-N 2.74Å; P138-F142 VanDerWaalsContact O-CB 3.26Å; P138-F142 WeakPolarHBondContact O-CB 3.5Å; P138-F142 PolarHBondContact O-N 3.03Å |
| 139 | I | 84.6 | Confident | 83 | Confident | 110 Ų | 110 | 86.7 Ų | 86.7 | 56% | 0.564 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 174.3 | -66.2 | 167.2 | 0 | 0 | 0 | 110.7 | L135 I136 I137 F142 Y143 | L135-I139 VanDerWaalsContact O-CD1 3.29Å; L135-I139 WeakPolarHBondContact O-CD1 3.18Å; L135-I139 WeakPolarHBondContact O-CG1 3.38Å; L135-I139 PolarHBondContact O-N 3.4Å; I136-I139 PolarHBondContact O-N 3.02Å; I137-I139 VanDerWaalsContact C-N 3.28Å; I137-I139 PolarHBondContact O-N 3.17Å; I139-F142 PolarHBondContact O-N 2.67Å; I139-Y143 WeakPolarHBondContact O-CB 3.2Å; I139-Y143 PolarHBondContact O-N 3.47Å |
| 140 | R | 81.3 | Confident | 82.8 | Confident | 116 Ų | 116 | 81.4 Ų | 81.4 | 44% | 0.438 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 177.4 | -72.9 | -77.6 | -72.9 | 169.6 | -3.6 | 111.6 | I136 I137 F142 Y143 V144 | I136-R140 HydrophobicContact CG2-CG 3.86Å; I136-R140 WeakPolarHBondContact O-CB 3.36Å; I136-R140 WeakPolarHBondContact O-CG 3.47Å; I136-R140 PolarHBondContact O-N 3.28Å; I137-R140 PolarHBondContact O-N 2.73Å; R140-F142 VanDerWaalsContact C-N 3.32Å; R140-F142 PolarHBondContact O-N 3.46Å; R140-Y143 WeakPolarHBondContact O-CB 3.3Å; R140-Y143 PolarHBondContact O-N 2.79Å; R140-V144 WeakPolarHBondContact O-CG2 3.45Å; R140-V144 PolarHBondContact O-N 3.36Å |
| 141 | L | 80.9 | Confident | 82.4 | Confident | 104 Ų | 104 | 79.3 Ų | 79.3 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59 | -45.1 | 174.4 | -75.7 | 163.2 | 0 | 0 | 0 | 111.3 | I137 P138 Y143 V144 L145 | I137-L141 HydrophobicContact CG2-CD1 3.88Å; I137-L141 WeakPolarHBondContact O-CG 3.34Å; I137-L141 PolarHBondContact O-N 3.29Å; P138-L141 PolarHBondContact O-N 2.74Å; L141-Y143 PolarHBondContact O-N 3.3Å; L141-V144 PolarHBondContact O-N 3.38Å; L141-L145 WeakPolarHBondContact O-CB 3.28Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 2.67Å |
| 142 | F | 84 | Confident | 82.1 | Confident | 123 Ų | 123 | 81.4 Ų | 81.4 | 54% | 0.539 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 176.4 | -175.1 | -97.6 | 0 | 0 | 0 | 111.7 | P138 I139 R140 V144 L145 W146 | P138-F142 VanDerWaalsContact O-CB 3.26Å; P138-F142 WeakPolarHBondContact O-CB 3.5Å; P138-F142 PolarHBondContact O-N 3.03Å; I139-F142 PolarHBondContact O-N 2.67Å; R140-F142 VanDerWaalsContact C-N 3.32Å; R140-F142 PolarHBondContact O-N 3.46Å; F142-V144 PolarHBondContact O-N 3.26Å; F142-L145 PolarHBondContact O-N 3.47Å; F142-W146 HydrophobicContact CE1-CE3 4.34Å; F142-W146 HydrophobicContact CZ-CE3 4.02Å; F142-W146 WeakPolarHBondContact O-CB 3.39Å; F142-W146 PolarHBondContact O-N 3.23Å |
| 143 | Y | 84.4 | Confident | 81.9 | Confident | 136 Ų | 136 | 83.1 Ų | 83.1 | 53% | 0.533 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.9 | 178.5 | -97.8 | 0 | 0 | 0 | 112.1 | I139 R140 L141 W146 V147 | I139-Y143 WeakPolarHBondContact O-CB 3.2Å; I139-Y143 PolarHBondContact O-N 3.47Å; R140-Y143 WeakPolarHBondContact O-CB 3.3Å; R140-Y143 PolarHBondContact O-N 2.79Å; L141-Y143 PolarHBondContact O-N 3.3Å; Y143-W146 PolarHBondContact O-N 2.86Å; Y143-V147 HydrophobicContact CD1-CG2 4.42Å; Y143-V147 HydrophobicContact CD2-CG2 4.19Å; Y143-V147 HydrophobicContact CE1-CG2 4.04Å; Y143-V147 HydrophobicContact CE2-CG2 3.79Å; Y143-V147 HydrophobicContact CG-CG2 4.5Å; Y143-V147 WeakPolarHBondContact O-CG2 3.25Å; Y143-V147 PolarHBondContact O-N 2.87Å |
| 144 | V | 80.1 | Confident | 81.5 | Confident | 30 Ų | 30 | 84.3 Ų | 84.3 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 178.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | R140 L141 F142 W146 N148 | R140-V144 WeakPolarHBondContact O-CG2 3.45Å; R140-V144 PolarHBondContact O-N 3.36Å; L141-V144 PolarHBondContact O-N 3.38Å; F142-V144 PolarHBondContact O-N 3.26Å; V144-W146 VanDerWaalsContact C-N 3.34Å; V144-N148 WeakPolarHBondContact CG1-ND2 3.35Å; V144-N148 WeakPolarHBondContact O-CB 3.49Å; V144-N148 PolarHBondContact O-N 3.02Å; V144-N148 PolarHBondContact O-ND2 2.91Å |
| 145 | L | 80.8 | Confident | 81.3 | Confident | 89 Ų | 89 | 89.4 Ų | 89.4 | 47% | 0.466 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175 | -71.9 | 167.7 | 0 | 0 | 0 | 111.8 | L141 F142 I149 L150 | L141-L145 WeakPolarHBondContact O-CB 3.28Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 2.67Å; F142-L145 PolarHBondContact O-N 3.47Å; L145-I149 HydrophobicContact CD2-CD1 3.56Å; L145-I149 HydrophobicContact CD2-CG1 4.49Å; L145-I149 WeakPolarHBondContact O-CA 3.23Å; L145-I149 VanDerWaalsContact O-CB 3.3Å; L145-I149 WeakPolarHBondContact O-CB 3.29Å; L145-I149 PolarHBondContact O-N 3.17Å; L145-L150 PolarHBondContact O-N 3.32Å; L145-L150 VanDerWaalsContact O-N 3.17Å |
| 146 | W | 82.7 | Confident | 80.5 | Confident | 103 Ų | 103 | 87.6 Ų | 87.6 | 39% | 0.39 | 43% | 0.426 | S | S | . | . | I | π-helix | trans | -63.9 | -51 | 178.5 | -176.1 | -92.3 | 0 | 0 | 0 | 111.2 | F142 Y143 V144 L150 A151 | F142-W146 HydrophobicContact CE1-CE3 4.34Å; F142-W146 HydrophobicContact CZ-CE3 4.02Å; F142-W146 WeakPolarHBondContact O-CB 3.39Å; F142-W146 PolarHBondContact O-N 3.23Å; Y143-W146 PolarHBondContact O-N 2.86Å; V144-W146 VanDerWaalsContact C-N 3.34Å; W146-L150 HydrophobicContact CD2-CB 4.28Å; W146-L150 HydrophobicContact CD2-CD1 4.28Å; W146-L150 HydrophobicContact CE3-CB 4.01Å; W146-L150 HydrophobicContact CE3-CD1 3.37Å; W146-L150 HydrophobicContact CE3-CG 4.31Å; W146-L150 HydrophobicContact CZ3-CB 4.36Å; W146-L150 HydrophobicContact CZ3-CD1 3.81Å; W146-L150 CarbonylContact O-C 3.54Å; W146-L150 PolarHBondContact O-N 2.66Å; W146-A151 VanDerWaalsContact O-CB 3.28Å; W146-A151 WeakPolarHBondContact O-CB 3.17Å; W146-A151 PolarHBondContact O-N 3.34Å |
| 147 | V | 81.2 | Confident | 79.3 | Confident | 57 Ų | 57 | 88.7 Ų | 88.7 | 35% | 0.345 | 44% | 0.437 | S | S | . | . | I | π-helix | trans | -72.8 | -35.6 | -176.4 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | Y143 P152 | Y143-V147 HydrophobicContact CD1-CG2 4.42Å; Y143-V147 HydrophobicContact CD2-CG2 4.19Å; Y143-V147 HydrophobicContact CE1-CG2 4.04Å; Y143-V147 HydrophobicContact CE2-CG2 3.79Å; Y143-V147 HydrophobicContact CG-CG2 4.5Å; Y143-V147 WeakPolarHBondContact O-CG2 3.25Å; Y143-V147 PolarHBondContact O-N 2.87Å; V147-P152 VanDerWaalsContact O-CD 3.26Å; V147-P152 WeakPolarHBondContact O-CD 3.13Å |
| 148 | N | 78.2 | Confident | 78.3 | Confident | 108 Ų | 108 | 91.9 Ų | 91.9 | 58% | 0.578 | 45% | 0.454 | S | S | * | . | I | π-helix | trans | -92.9 | -28.1 | -173.7 | -65 | -25.2 | 0 | 0 | 0 | 114 | V144 | V144-N148 WeakPolarHBondContact CG1-ND2 3.35Å; V144-N148 WeakPolarHBondContact O-CB 3.49Å; V144-N148 PolarHBondContact O-N 3.02Å; V144-N148 PolarHBondContact O-ND2 2.91Å |
| 149 | I | 78.1 | Confident | 77.1 | Confident | 105 Ų | 105 | 92.5 Ų | 92.5 | 54% | 0.538 | 45% | 0.452 | S | S | . | . | I | π-helix | trans | -112.9 | -55.4 | -175.4 | -52.5 | -177.2 | 0 | 0 | 0 | 110.5 | L145 W153 | L145-I149 HydrophobicContact CD2-CD1 3.56Å; L145-I149 HydrophobicContact CD2-CG1 4.49Å; L145-I149 WeakPolarHBondContact O-CA 3.23Å; L145-I149 VanDerWaalsContact O-CB 3.3Å; L145-I149 WeakPolarHBondContact O-CB 3.29Å; L145-I149 PolarHBondContact O-N 3.17Å; I149-W153 WeakPolarHBondContact O-CB 3.49Å; I149-W153 PolarHBondContact O-N 2.76Å |
| 150 | L | 80.5 | Confident | 75.7 | Confident | 59 Ų | 59 | 94.9 Ų | 94.9 | 31% | 0.309 | 46% | 0.46 | S | S | . | . | I | π-helix | trans | -75.7 | -43.3 | -172.1 | -66.3 | 167.3 | 0 | 0 | 0 | 112.4 | L145 W146 W153 I154 | L145-L150 PolarHBondContact O-N 3.32Å; L145-L150 VanDerWaalsContact O-N 3.17Å; W146-L150 HydrophobicContact CD2-CB 4.28Å; W146-L150 HydrophobicContact CD2-CD1 4.28Å; W146-L150 HydrophobicContact CE3-CB 4.01Å; W146-L150 HydrophobicContact CE3-CD1 3.37Å; W146-L150 HydrophobicContact CE3-CG 4.31Å; W146-L150 HydrophobicContact CZ3-CB 4.36Å; W146-L150 HydrophobicContact CZ3-CD1 3.81Å; W146-L150 CarbonylContact O-C 3.54Å; W146-L150 PolarHBondContact O-N 2.66Å; L150-W153 PolarHBondContact O-N 3Å; L150-I154 HydrophobicContact CB-CD1 4.44Å; L150-I154 WeakPolarHBondContact O-CB 3.25Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.4Å; L150-I154 PolarHBondContact O-N 2.78Å |
| 151 | A | 80.1 | Confident | 74.5 | Confident | 25 Ų | 25 | 92.9 Ų | 92.9 | 21% | 0.207 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.4 | -45.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W146 W153 I154 F155 | W146-A151 VanDerWaalsContact O-CB 3.28Å; W146-A151 WeakPolarHBondContact O-CB 3.17Å; W146-A151 PolarHBondContact O-N 3.34Å; A151-W153 VanDerWaalsContact C-N 3.3Å; A151-W153 PolarHBondContact O-N 3.1Å; A151-I154 PolarHBondContact O-N 3.37Å; A151-F155 HydrophobicContact CB-CD2 4.38Å; A151-F155 WeakPolarHBondContact O-CB 3.26Å; A151-F155 WeakPolarHBondContact O-CD2 2.94Å; A151-F155 PolarHBondContact O-N 2.72Å |
| 152 | P | 79.1 | Confident | 73.2 | Confident | 58 Ų | 58 | 93.3 Ų | 93.3 | 38% | 0.377 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.2 | -31.1 | 174 | -18.4 | 34 | 0 | 0 | 0 | 111.6 | V147 D156 | V147-P152 VanDerWaalsContact O-CD 3.26Å; V147-P152 WeakPolarHBondContact O-CD 3.13Å; P152-D156 WeakPolarHBondContact O-CB 3.05Å; P152-D156 PolarHBondContact O-N 2.74Å |
| 153 | W | 78.4 | Confident | 71.9 | Confident | 174 Ų | 174 | 90.7 Ų | 90.7 | 66% | 0.659 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.7 | -36.1 | 177.9 | -174.7 | 75.9 | 0 | 0 | 0 | 113 | I149 L150 A151 Q159 | I149-W153 WeakPolarHBondContact O-CB 3.49Å; I149-W153 PolarHBondContact O-N 2.76Å; L150-W153 PolarHBondContact O-N 3Å; A151-W153 VanDerWaalsContact C-N 3.3Å; A151-W153 PolarHBondContact O-N 3.1Å; W153-Q159 PolarHBondContact O-NE2 3.1Å |
| 154 | I | 79.8 | Confident | 70.6 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 45% | 0.446 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -88.8 | -41.1 | -177.6 | -62.7 | 172.5 | 0 | 0 | 0 | 112.3 | L150 A151 | L150-I154 HydrophobicContact CB-CD1 4.44Å; L150-I154 WeakPolarHBondContact O-CB 3.25Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.4Å; L150-I154 PolarHBondContact O-N 2.78Å; A151-I154 PolarHBondContact O-N 3.37Å |
| 155 | F | 79.2 | Confident | 69.6 | Low | 139 Ų | 139 | 91.7 Ų | 91.7 | 61% | 0.61 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -111.1 | -2 | -166.5 | -60.9 | -74.6 | 0 | 0 | 0 | 114.8 | A151 P157 | A151-F155 HydrophobicContact CB-CD2 4.38Å; A151-F155 WeakPolarHBondContact O-CB 3.26Å; A151-F155 WeakPolarHBondContact O-CD2 2.94Å; A151-F155 PolarHBondContact O-N 2.72Å; F155-P157 WeakPolarHBondContact O-CD 3.35Å |
| 156 | D | 67.2 | Low | 68.6 | Low | 60 Ų | 60 | 94.1 Ų | 94.1 | 32% | 0.321 | 47% | 0.471 | S | S | . | . | trans | -67.7 | 109.4 | -177.6 | -173.8 | 5.2 | 0 | 0 | 0 | 110 | P152 N158 Q159 | P152-D156 WeakPolarHBondContact O-CB 3.05Å; P152-D156 PolarHBondContact O-N 2.74Å; D156-N158 PolarHBondContact O-N 3.13Å; D156-N158 VanDerWaalsContact O-N 3.1Å; D156-N158 VanDerWaalsContact OD1-CB 3.27Å; D156-N158 WeakPolarHBondContact OD1-CB 3.12Å; D156-N158 PolarHBondContact OD1-N 3.32Å; D156-N158 VanDerWaalsContact OD1-N 3.1Å; D156-N158 PolarHBondContact OD1-ND2 3.22Å; D156-Q159 HydrophobicContact CB-CG 4.34Å; D156-Q159 WeakPolarHBondContact O-CB 3.27Å; D156-Q159 PolarHBondContact O-N 3.49Å | ||
| 157 | P | 61.5 | Low | 67.6 | Low | 88 Ų | 88 | 95.5 Ų | 95.5 | 57% | 0.571 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.3 | -19.3 | 179.5 | 27.8 | -33.9 | 0 | 0 | 0 | 111.3 | F155 Q159 E160 T161 | F155-P157 WeakPolarHBondContact O-CD 3.35Å; P157-Q159 PolarHBondContact O-N 2.96Å; P157-E160 WeakPolarHBondContact O-CB 3.39Å; P157-E160 PolarHBondContact O-N 3.43Å; P157-E160 VanDerWaalsContact O-N 3.13Å; P157-T161 PolarHBondContact O-N 2.91Å; P157-T161 PolarHBondContact O-OG1 3.4Å |
| 158 | N | 60.4 | Low | 66.8 | Low | 89 Ų | 89 | 97.6 Ų | 97.6 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -17.3 | 173 | -62.5 | -56.2 | 0 | 0 | 0 | 113.1 | D156 E160 T161 Q162 | D156-N158 PolarHBondContact O-N 3.13Å; D156-N158 VanDerWaalsContact O-N 3.1Å; D156-N158 VanDerWaalsContact OD1-CB 3.27Å; D156-N158 WeakPolarHBondContact OD1-CB 3.12Å; D156-N158 PolarHBondContact OD1-N 3.32Å; D156-N158 VanDerWaalsContact OD1-N 3.1Å; D156-N158 PolarHBondContact OD1-ND2 3.22Å; N158-E160 VanDerWaalsContact C-N 3.29Å; N158-T161 WeakPolarHBondContact CA-OG1 3.43Å; N158-T161 PolarHBondContact O-N 3.37Å; N158-Q162 VanDerWaalsContact O-CB 3.29Å; N158-Q162 WeakPolarHBondContact O-CB 3.46Å; N158-Q162 WeakPolarHBondContact O-CG 3.34Å; N158-Q162 PolarHBondContact O-N 3.5Å |
| 159 | Q | 56.7 | Low | 66.6 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 169.6 | -71.5 | -147.8 | 24.3 | 0 | 0 | 110.7 | W153 D156 P157 T161 V163 | W153-Q159 PolarHBondContact O-NE2 3.1Å; D156-Q159 HydrophobicContact CB-CG 4.34Å; D156-Q159 WeakPolarHBondContact O-CB 3.27Å; D156-Q159 PolarHBondContact O-N 3.49Å; P157-Q159 PolarHBondContact O-N 2.96Å; Q159-T161 VanDerWaalsContact C-N 3.35Å; Q159-T161 PolarHBondContact O-N 2.87Å; Q159-V163 WeakPolarHBondContact O-CB 3.34Å; Q159-V163 WeakPolarHBondContact O-CG2 3.12Å; Q159-V163 PolarHBondContact O-N 3.2Å |
| 160 | E | 56.1 | Low | 66.4 | Low | 160 Ų | 160 | 100.7 Ų | 100.7 | 75% | 0.748 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 175.2 | -59.4 | -167.7 | 175.5 | 0 | 0 | 110.5 | P157 N158 N164 | P157-E160 WeakPolarHBondContact O-CB 3.39Å; P157-E160 PolarHBondContact O-N 3.43Å; P157-E160 VanDerWaalsContact O-N 3.13Å; N158-E160 VanDerWaalsContact C-N 3.29Å; E160-N164 WeakPolarHBondContact O-CB 3.29Å; E160-N164 PolarHBondContact O-N 2.88Å |
| 161 | T | 55.4 | Low | 65.8 | Low | 74 Ų | 74 | 102.7 Ų | 102.7 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -45.4 | -179.7 | -10.6 | 0 | 0 | 0 | 0 | 112.3 | P157 N158 Q159 N164 E165 | P157-T161 PolarHBondContact O-N 2.91Å; P157-T161 PolarHBondContact O-OG1 3.4Å; N158-T161 WeakPolarHBondContact CA-OG1 3.43Å; N158-T161 PolarHBondContact O-N 3.37Å; Q159-T161 VanDerWaalsContact C-N 3.35Å; Q159-T161 PolarHBondContact O-N 2.87Å; T161-N164 PolarHBondContact O-N 3.2Å; T161-E165 WeakPolarHBondContact O-CB 3.06Å; T161-E165 WeakPolarHBondContact O-CG 3.48Å; T161-E165 PolarHBondContact O-N 2.79Å |
| 162 | Q | 52.9 | Low | 65.5 | Low | 113 Ų | 113 | 107 Ų | 107 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.2 | -36.8 | -179.8 | -72.4 | -151.7 | 26.7 | 0 | 0 | 113.3 | N158 N164 K166 | N158-Q162 VanDerWaalsContact O-CB 3.29Å; N158-Q162 WeakPolarHBondContact O-CB 3.46Å; N158-Q162 WeakPolarHBondContact O-CG 3.34Å; N158-Q162 PolarHBondContact O-N 3.5Å; Q162-N164 VanDerWaalsContact C-N 3.33Å; Q162-K166 WeakPolarHBondContact O-CB 3.47Å; Q162-K166 WeakPolarHBondContact O-CG 3.27Å; Q162-K166 PolarHBondContact O-N 2.7Å |
| 163 | V | 57.3 | Low | 65.3 | Low | 67 Ų | 67 | 112.5 Ų | 112.5 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 173.3 | 174 | 0 | 0 | 0 | 0 | 109.4 | Q159 K167 | Q159-V163 WeakPolarHBondContact O-CB 3.34Å; Q159-V163 WeakPolarHBondContact O-CG2 3.12Å; Q159-V163 PolarHBondContact O-N 3.2Å; V163-K167 HydrophobicContact CG1-CD 4.04Å; V163-K167 HydrophobicContact CG1-CG 4.37Å; V163-K167 VanDerWaalsContact O-CB 3.27Å; V163-K167 WeakPolarHBondContact O-CB 3.44Å; V163-K167 VanDerWaalsContact O-CG 3.3Å; V163-K167 WeakPolarHBondContact O-CG 3.45Å; V163-K167 PolarHBondContact O-N 2.8Å |
| 164 | N | 56.7 | Low | 65.2 | Low | 83 Ų | 83 | 110.9 Ų | 110.9 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 176.5 | -159.6 | 5 | 0 | 0 | 0 | 111.4 | E160 T161 Q162 K166 K167 Q168 | E160-N164 WeakPolarHBondContact O-CB 3.29Å; E160-N164 PolarHBondContact O-N 2.88Å; T161-N164 PolarHBondContact O-N 3.2Å; Q162-N164 VanDerWaalsContact C-N 3.33Å; N164-K166 PolarHBondContact O-N 2.8Å; N164-K167 CarbonylContact O-C 3.57Å; N164-K167 PolarHBondContact O-N 2.87Å; N164-Q168 VanDerWaalsContact O-CB 3.29Å; N164-Q168 WeakPolarHBondContact O-CB 3.49Å; N164-Q168 VanDerWaalsContact O-CG 3.25Å; N164-Q168 WeakPolarHBondContact O-CG 3.43Å; N164-Q168 PolarHBondContact O-N 2.73Å |
| 165 | E | 60.2 | Low | 64.7 | Low | 105 Ų | 105 | 113.1 Ų | 113.1 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.7 | -79.6 | -167.5 | 178.9 | 0 | 0 | 112.6 | T161 K167 Q168 K169 | T161-E165 WeakPolarHBondContact O-CB 3.06Å; T161-E165 WeakPolarHBondContact O-CG 3.48Å; T161-E165 PolarHBondContact O-N 2.79Å; E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 3.39Å; E165-Q168 PolarHBondContact O-N 3.22Å; E165-K169 WeakPolarHBondContact O-CB 3.25Å; E165-K169 WeakPolarHBondContact O-CG 3.29Å; E165-K169 PolarHBondContact O-N 3.33Å |
| 166 | K | 59.3 | Low | 64.3 | Low | 139 Ų | 139 | 115.8 Ų | 115.8 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.2 | -37.7 | 176.2 | -76.4 | 178.3 | -176.4 | 171.1 | 0 | 111.6 | Q162 N164 K170 | Q162-K166 WeakPolarHBondContact O-CB 3.47Å; Q162-K166 WeakPolarHBondContact O-CG 3.27Å; Q162-K166 PolarHBondContact O-N 2.7Å; N164-K166 PolarHBondContact O-N 2.8Å; K166-K170 WeakPolarHBondContact O-CG 3.3Å; K166-K170 PolarHBondContact O-N 2.93Å |
| 167 | K | 62.1 | Low | 64.6 | Low | 133 Ų | 133 | 120.8 Ų | 120.8 | 58% | 0.578 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.5 | -41.9 | 174.5 | -79.3 | -178.1 | 178 | 179.4 | 0 | 111.7 | V163 N164 E165 K170 M171 | V163-K167 HydrophobicContact CG1-CD 4.04Å; V163-K167 HydrophobicContact CG1-CG 4.37Å; V163-K167 VanDerWaalsContact O-CB 3.27Å; V163-K167 WeakPolarHBondContact O-CB 3.44Å; V163-K167 VanDerWaalsContact O-CG 3.3Å; V163-K167 WeakPolarHBondContact O-CG 3.45Å; V163-K167 PolarHBondContact O-N 2.8Å; N164-K167 CarbonylContact O-C 3.57Å; N164-K167 PolarHBondContact O-N 2.87Å; E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 3.39Å; K167-K170 PolarHBondContact O-N 2.88Å; K167-M171 PolarHBondContact O-N 3.22Å |
| 168 | Q | 64.3 | Low | 65.2 | Low | 100 Ų | 100 | 120.4 Ų | 120.4 | 47% | 0.467 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.5 | -49.5 | 176.5 | -77.3 | 177.6 | -8 | 0 | 0 | 111.3 | N164 E165 K170 M171 E172 | N164-Q168 VanDerWaalsContact O-CB 3.29Å; N164-Q168 WeakPolarHBondContact O-CB 3.49Å; N164-Q168 VanDerWaalsContact O-CG 3.25Å; N164-Q168 WeakPolarHBondContact O-CG 3.43Å; N164-Q168 PolarHBondContact O-N 2.73Å; E165-Q168 PolarHBondContact O-N 3.22Å; Q168-K170 PolarHBondContact O-N 3Å; Q168-M171 WeakPolarHBondContact O-CA 3.27Å; Q168-M171 PolarHBondContact O-N 3.24Å; Q168-E172 PolarHBondContact O-N 3.25Å |
| 169 | K | 73.2 | Confident | 65.6 | Low | 124 Ų | 124 | 117.9 Ų | 117.9 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.9 | -34.7 | 174.6 | -77.7 | 179 | 179 | 168.5 | 0 | 112.7 | E165 R173 | E165-K169 WeakPolarHBondContact O-CB 3.25Å; E165-K169 WeakPolarHBondContact O-CG 3.29Å; E165-K169 PolarHBondContact O-N 3.33Å; K169-R173 VanDerWaalsContact O-CG 3.27Å; K169-R173 WeakPolarHBondContact O-CG 3.49Å; K169-R173 PolarHBondContact O-N 3.37Å |
| 170 | K | 74.4 | Confident | 65.9 | Low | 155 Ų | 155 | 120.9 Ų | 120.9 | 67% | 0.674 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.5 | -38.2 | 173.5 | -81.9 | -175.6 | 179.7 | -178.4 | 0 | 112.2 | K166 K167 Q168 K174 | K166-K170 WeakPolarHBondContact O-CG 3.3Å; K166-K170 PolarHBondContact O-N 2.93Å; K167-K170 PolarHBondContact O-N 2.88Å; Q168-K170 PolarHBondContact O-N 3Å; K170-K174 PolarHBondContact O-N 2.94Å |
| 171 | M | 68.5 | Low | 66.3 | Low | 101 Ų | 101 | 118.7 Ų | 118.7 | 50% | 0.498 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.2 | -43.9 | 175.3 | -79.3 | -167.9 | -76.3 | 0 | 0 | 112.1 | K167 Q168 R173 K174 M175 | K167-M171 PolarHBondContact O-N 3.22Å; Q168-M171 WeakPolarHBondContact O-CA 3.27Å; Q168-M171 PolarHBondContact O-N 3.24Å; M171-R173 VanDerWaalsContact C-N 3.3Å; M171-R173 PolarHBondContact O-N 2.93Å; M171-K174 WeakPolarHBondContact O-CA 3.45Å; M171-K174 WeakPolarHBondContact O-CB 3.44Å; M171-K174 PolarHBondContact O-N 3.28Å; M171-M175 PolarHBondContact O-N 3.35Å |
| 172 | E | 72.5 | Confident | 66.5 | Low | 116 Ų | 116 | 121.3 Ų | 121.3 | 54% | 0.542 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.6 | -41.4 | 175.3 | -73.8 | -173.8 | 147.8 | 0 | 0 | 112.1 | Q168 K174 M175 R176 | Q168-E172 PolarHBondContact O-N 3.25Å; E172-K174 VanDerWaalsContact C-N 3.26Å; E172-K174 PolarHBondContact O-N 3.13Å; E172-M175 PolarHBondContact O-N 2.96Å; E172-R176 WeakPolarHBondContact O-CG 3.43Å; E172-R176 PolarHBondContact O-N 2.91Å |
| 173 | R | 76.5 | Confident | 66.8 | Low | 173 Ų | 173 | 122 Ų | 122 | 65% | 0.653 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.8 | -27.6 | 175 | -72.6 | 175.8 | -175.5 | -164.2 | 2 | 113.3 | K169 M171 R177 | K169-R173 VanDerWaalsContact O-CG 3.27Å; K169-R173 WeakPolarHBondContact O-CG 3.49Å; K169-R173 PolarHBondContact O-N 3.37Å; M171-R173 VanDerWaalsContact C-N 3.3Å; M171-R173 PolarHBondContact O-N 2.93Å; R173-R177 PolarHBondContact O-NE 3.48Å |
| 174 | K | 74.5 | Confident | 66.9 | Low | 139 Ų | 139 | 120.5 Ų | 120.5 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -76.1 | -44.8 | 173.1 | -74.4 | -175.1 | 177.6 | -172.7 | 0 | 110.6 | K170 M171 E172 R176 R177 V178 | K170-K174 PolarHBondContact O-N 2.94Å; M171-K174 WeakPolarHBondContact O-CA 3.45Å; M171-K174 WeakPolarHBondContact O-CB 3.44Å; M171-K174 PolarHBondContact O-N 3.28Å; E172-K174 VanDerWaalsContact C-N 3.26Å; E172-K174 PolarHBondContact O-N 3.13Å; K174-R176 VanDerWaalsContact C-N 3.35Å; K174-R176 PolarHBondContact O-N 3.43Å; K174-R177 PolarHBondContact O-N 2.98Å; K174-R177 VanDerWaalsContact O-N 3.13Å; K174-V178 WeakPolarHBondContact O-CG2 3.48Å; K174-V178 PolarHBondContact O-N 2.98Å |
| 175 | M | 71.1 | Confident | 66.9 | Low | 135 Ų | 135 | 120.8 Ų | 120.8 | 67% | 0.665 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.7 | -40.4 | 177.2 | -66.1 | -175.5 | -169.8 | 0 | 0 | 112.2 | M171 E172 R177 V178 G179 | M171-M175 PolarHBondContact O-N 3.35Å; E172-M175 PolarHBondContact O-N 2.96Å; M175-R177 VanDerWaalsContact C-N 3.3Å; M175-R177 PolarHBondContact O-N 2.82Å; M175-V178 PolarHBondContact O-N 2.79Å; M175-G179 PolarHBondContact O-N 3.37Å |
| 176 | R | 69.7 | Low | 66.7 | Low | 194 Ų | 194 | 121.8 Ų | 121.8 | 73% | 0.732 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.6 | -37.2 | 174.1 | -74.4 | -175.2 | -179.5 | -162.8 | 0.6 | 112.9 | E172 K174 H180 | E172-R176 WeakPolarHBondContact O-CG 3.43Å; E172-R176 PolarHBondContact O-N 2.91Å; K174-R176 VanDerWaalsContact C-N 3.35Å; K174-R176 PolarHBondContact O-N 3.43Å; R176-H180 VanDerWaalsContact O-CB 3.31Å; R176-H180 WeakPolarHBondContact O-CB 3.44Å; R176-H180 PolarHBondContact O-N 2.94Å |
| 177 | R | 74.7 | Confident | 66.6 | Low | 165 Ų | 165 | 124.4 Ų | 124.4 | 62% | 0.623 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.5 | -41.8 | 176.6 | -80.5 | -172.4 | -79 | -177 | -3.7 | 112.2 | R173 K174 M175 H180 L181 | R173-R177 PolarHBondContact O-NE 3.48Å; K174-R177 PolarHBondContact O-N 2.98Å; K174-R177 VanDerWaalsContact O-N 3.13Å; M175-R177 VanDerWaalsContact C-N 3.3Å; M175-R177 PolarHBondContact O-N 2.82Å; R177-H180 PolarHBondContact O-N 3.21Å; R177-L181 WeakPolarHBondContact O-CB 3.31Å; R177-L181 WeakPolarHBondContact O-CD1 3.48Å; R177-L181 WeakPolarHBondContact O-CG 3.43Å; R177-L181 PolarHBondContact O-N 3.3Å |
| 178 | V | 72.3 | Confident | 66.2 | Low | 81 Ų | 81 | 120.6 Ų | 120.6 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.8 | -42.7 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | K174 M175 H180 L181 M182 | K174-V178 WeakPolarHBondContact O-CG2 3.48Å; K174-V178 PolarHBondContact O-N 2.98Å; M175-V178 PolarHBondContact O-N 2.79Å; V178-H180 PolarHBondContact O-N 3.44Å; V178-L181 PolarHBondContact O-N 3.41Å; V178-M182 HydrophobicContact CG1-CG 4.42Å; V178-M182 WeakPolarHBondContact O-CG 3.45Å; V178-M182 PolarHBondContact O-N 3Å |
| 179 | G | 68.8 | Low | 65.7 | Low | 36 Ų | 36 | 121 Ų | 121 | 37% | 0.371 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.3 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M175 L181 M182 H183 | M175-G179 PolarHBondContact O-N 3.37Å; G179-L181 VanDerWaalsContact C-N 3.34Å; G179-M182 PolarHBondContact O-N 2.9Å; G179-H183 WeakPolarHBondContact O-CB 3.34Å; G179-H183 PolarHBondContact O-N 3.21Å |
| 180 | H | 64.3 | Low | 64.8 | Low | 145 Ų | 145 | 118.4 Ų | 118.4 | 67% | 0.671 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.5 | -37.6 | 173.9 | -176.5 | -82.6 | 0 | 0 | 0 | 112.5 | R176 R177 V178 G184 | R176-H180 VanDerWaalsContact O-CB 3.31Å; R176-H180 WeakPolarHBondContact O-CB 3.44Å; R176-H180 PolarHBondContact O-N 2.94Å; R177-H180 PolarHBondContact O-N 3.21Å; V178-H180 PolarHBondContact O-N 3.44Å; H180-G184 PolarHBondContact O-N 2.85Å |
| 181 | L | 63 | Low | 63.8 | Low | 114 Ų | 114 | 122.2 Ų | 122.2 | 60% | 0.597 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.9 | -48.6 | 175.6 | -77 | 159.2 | 0 | 0 | 0 | 111.2 | R177 V178 G179 H183 G184 T185 | R177-L181 WeakPolarHBondContact O-CB 3.31Å; R177-L181 WeakPolarHBondContact O-CD1 3.48Å; R177-L181 WeakPolarHBondContact O-CG 3.43Å; R177-L181 PolarHBondContact O-N 3.3Å; V178-L181 PolarHBondContact O-N 3.41Å; G179-L181 VanDerWaalsContact C-N 3.34Å; L181-H183 PolarHBondContact O-N 3.08Å; L181-G184 PolarHBondContact O-N 3.03Å; L181-T185 PolarHBondContact O-N 3.05Å; L181-T185 VanDerWaalsContact O-N 3.08Å; L181-T185 PolarHBondContact O-OG1 3.48Å |
| 182 | M | 60.2 | Low | 62.9 | Low | 129 Ų | 129 | 121 Ų | 121 | 64% | 0.635 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64 | -40.8 | -179.1 | -64.8 | -151 | -62.8 | 0 | 0 | 112.7 | V178 G179 G184 | V178-M182 HydrophobicContact CG1-CG 4.42Å; V178-M182 WeakPolarHBondContact O-CG 3.45Å; V178-M182 PolarHBondContact O-N 3Å; G179-M182 PolarHBondContact O-N 2.9Å; M182-G184 VanDerWaalsContact C-N 3.31Å; M182-G184 PolarHBondContact O-N 3.48Å |
| 183 | H | 59.9 | Low | 61.6 | Low | 128 Ų | 128 | 126.6 Ų | 126.6 | 59% | 0.593 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.7 | -15.8 | 178.4 | -146.2 | 67 | 0 | 0 | 0 | 113.6 | G179 L181 | G179-H183 WeakPolarHBondContact O-CB 3.34Å; G179-H183 PolarHBondContact O-N 3.21Å; L181-H183 PolarHBondContact O-N 3.08Å |
| 184 | G | 58.4 | Low | 60.8 | Low | 36 Ų | 36 | 124.3 Ų | 124.3 | 37% | 0.371 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -78.2 | -38.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | H180 L181 M182 R187 G188 | H180-G184 PolarHBondContact O-N 2.85Å; L181-G184 PolarHBondContact O-N 3.03Å; M182-G184 VanDerWaalsContact C-N 3.31Å; M182-G184 PolarHBondContact O-N 3.48Å; G184-R187 PolarHBondContact O-N 3.49Å; G184-G188 PolarHBondContact O-N 3.35Å |
| 185 | T | 57.4 | Low | 60.1 | Low | 89 Ų | 89 | 123.5 Ų | 123.5 | 55% | 0.546 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.3 | -37.9 | -178.9 | -37.1 | 0 | 0 | 0 | 0 | 112 | L181 R187 G188 V189 | L181-T185 PolarHBondContact O-N 3.05Å; L181-T185 VanDerWaalsContact O-N 3.08Å; L181-T185 PolarHBondContact O-OG1 3.48Å; T185-R187 VanDerWaalsContact C-N 3.26Å; T185-R187 PolarHBondContact O-N 3.04Å; T185-G188 PolarHBondContact O-N 3.31Å; T185-V189 PolarHBondContact O-N 3.37Å |
| 186 | D | 55.5 | Low | 59.5 | Low | 126 Ų | 126 | 122.9 Ų | 122.9 | 67% | 0.674 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.4 | -30.2 | 176.2 | -84.8 | -23.8 | 0 | 0 | 0 | 113 | G188 | D186-G188 VanDerWaalsContact C-N 3.3Å; D186-G188 PolarHBondContact O-N 3.28Å |
| 187 | R | 57.2 | Low | 58.9 | Low | 194 Ų | 194 | 118.7 Ų | 118.7 | 73% | 0.732 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.2 | -12.6 | 175 | -69.8 | -163 | -73.9 | 168.9 | -3.4 | 113.8 | G184 T185 | G184-R187 PolarHBondContact O-N 3.49Å; T185-R187 VanDerWaalsContact C-N 3.26Å; T185-R187 PolarHBondContact O-N 3.04Å |
| 188 | G | 53.6 | Low | 57.9 | Low | 53 Ų | 53 | 115.8 Ų | 115.8 | 55% | 0.546 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -91.7 | -24 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | G184 T185 D186 | G184-G188 PolarHBondContact O-N 3.35Å; T185-G188 PolarHBondContact O-N 3.31Å; D186-G188 VanDerWaalsContact C-N 3.3Å; D186-G188 PolarHBondContact O-N 3.28Å |
| 189 | V | 54.1 | Low | 56.9 | Low | 109 Ų | 109 | 118.1 Ų | 118.1 | 66% | 0.661 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -87.7 | -20.9 | -174.6 | 177.4 | 0 | 0 | 0 | 0 | 112.8 | T185 R191 | T185-V189 PolarHBondContact O-N 3.37Å; V189-R191 VanDerWaalsContact C-N 3.32Å; V189-R191 PolarHBondContact O-N 3.32Å |
| 190 | G | 54.3 | Low | 56.1 | Low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 13.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 191 | R | 53.4 | Low | 55.5 | Low | 234 Ų | 234 | 122.4 Ų | 122.4 | 88% | 0.883 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | 11.7 | -177.4 | -115.5 | -175.2 | -173.7 | 178.4 | 2 | 115.6 | V189 | V189-R191 VanDerWaalsContact C-N 3.32Å; V189-R191 PolarHBondContact O-N 3.32Å |
| 192 | A | 50 | Low | 54.8 | Low | 75 Ų | 75 | 123.1 Ų | 123.1 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | trans | -115.8 | 107.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 193 | N | 44 | Very low | 54.3 | Low | 235 Ų | 235 | 122.5 Ų | 122.5 | 100% | 1.257 | 69% | 0.69 | S | S | * | * | trans | 76.7 | 0 | -179.5 | -60.9 | -24.5 | 0 | 0 | 0 | 117 |
Retrieved 193 of 193 residues in 260.4 ms
(Link to these results)