| 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 | 50.5 | Low | 68.8 | Low | 202 Ų | 202 | 128.4 Ų | 128.4 | 100% | 0.995 | 63% | 0.631 | S | S | * | * | 0 | -46.6 | 0 | -71.4 | -176.5 | 83.7 | 0 | 0 | 114.3 | L3 L4 V5 | M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.33Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-L4 VanDerWaalsContact O-N 3.13Å; M1-V5 PolarHBondContact O-N 3.44Å | |||
| 2 | R | 66.4 | Low | 69.1 | Low | 213 Ų | 213 | 131.6 Ų | 131.6 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -54.1 | -40.9 | -177.6 | -166.3 | 175 | -179.7 | 176.2 | -1.1 | 114.7 | L4 Q6 | R2-L4 PolarHBondContact O-N 2.98Å; R2-Q6 PolarHBondContact O-N 3.28Å |
| 3 | L | 64.6 | Low | 69.3 | Low | 137 Ų | 137 | 129.6 Ų | 129.6 | 72% | 0.717 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.4 | -31.3 | 179.5 | -68.5 | 168.3 | 0 | 0 | 0 | 113.8 | M1 K7 | M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.33Å; L3-K7 PolarHBondContact O-N 3.21Å |
| 4 | L | 71.3 | Confident | 69.4 | Low | 125 Ų | 125 | 124.9 Ų | 124.9 | 65% | 0.654 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.4 | -42.5 | 178.2 | -87.3 | 160.9 | 0 | 0 | 0 | 111.1 | M1 R2 Q6 K7 V8 | M1-L4 PolarHBondContact O-N 3.12Å; M1-L4 VanDerWaalsContact O-N 3.13Å; R2-L4 PolarHBondContact O-N 2.98Å; L4-Q6 PolarHBondContact O-N 3.39Å; L4-K7 PolarHBondContact O-N 3Å; L4-V8 WeakPolarHBondContact O-CG2 3.02Å; L4-V8 PolarHBondContact O-N 3.42Å |
| 5 | V | 70.3 | Confident | 69.5 | Low | 87 Ų | 87 | 129.5 Ų | 129.5 | 53% | 0.527 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.4 | -43 | 178.3 | 179.1 | 0 | 0 | 0 | 0 | 111 | M1 K7 V8 I9 | M1-V5 PolarHBondContact O-N 3.44Å; V5-K7 PolarHBondContact O-N 3.13Å; V5-V8 PolarHBondContact O-N 2.94Å; V5-I9 HydrophobicContact CG1-CD1 3.8Å; V5-I9 HydrophobicContact CG1-CG1 4.42Å; V5-I9 VanDerWaalsContact O-CG1 3.32Å; V5-I9 WeakPolarHBondContact O-CG1 3.42Å; V5-I9 PolarHBondContact O-N 3.03Å |
| 6 | Q | 66.9 | Low | 69 | Low | 105 Ų | 105 | 128.6 Ų | 128.6 | 49% | 0.491 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.7 | -42 | 177.1 | -75.8 | -179.7 | -38.6 | 0 | 0 | 112.7 | R2 L4 I9 L10 | R2-Q6 PolarHBondContact O-N 3.28Å; L4-Q6 PolarHBondContact O-N 3.39Å; Q6-I9 PolarHBondContact O-N 3.37Å; Q6-L10 PolarHBondContact O-N 2.98Å |
| 7 | K | 71.6 | Confident | 68.8 | Low | 148 Ų | 148 | 124.4 Ų | 124.4 | 64% | 0.643 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.8 | -42.3 | 176.3 | -77.8 | -171.8 | 177 | -173.7 | 0 | 112.2 | L3 L4 V5 L10 I11 | L3-K7 PolarHBondContact O-N 3.21Å; L4-K7 PolarHBondContact O-N 3Å; V5-K7 PolarHBondContact O-N 3.13Å; K7-L10 PolarHBondContact O-N 2.95Å; K7-I11 VanDerWaalsContact O-CG1 3.29Å; K7-I11 WeakPolarHBondContact O-CG1 3.49Å; K7-I11 PolarHBondContact O-N 3.22Å |
| 8 | V | 74.1 | Confident | 68.5 | Low | 74 Ų | 74 | 125.8 Ų | 125.8 | 45% | 0.448 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.4 | -43.3 | 178.2 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | L4 V5 L10 I11 Y12 | L4-V8 WeakPolarHBondContact O-CG2 3.02Å; L4-V8 PolarHBondContact O-N 3.42Å; V5-V8 PolarHBondContact O-N 2.94Å; V8-L10 PolarHBondContact O-N 2.75Å; V8-I11 PolarHBondContact O-N 2.98Å; V8-Y12 HydrophobicContact CG1-CD2 3.79Å; V8-Y12 HydrophobicContact CG1-CE2 3.89Å; V8-Y12 WeakPolarHBondContact O-CD2 3.49Å; V8-Y12 PolarHBondContact O-N 3.43Å |
| 9 | I | 73.6 | Confident | 68 | Low | 92 Ų | 92 | 121.4 Ų | 121.4 | 47% | 0.472 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62 | -43.8 | 176.8 | -66.6 | 167.9 | 0 | 0 | 0 | 111.1 | V5 Q6 I11 Y12 L13 | V5-I9 HydrophobicContact CG1-CD1 3.8Å; V5-I9 HydrophobicContact CG1-CG1 4.42Å; V5-I9 VanDerWaalsContact O-CG1 3.32Å; V5-I9 WeakPolarHBondContact O-CG1 3.42Å; V5-I9 PolarHBondContact O-N 3.03Å; Q6-I9 PolarHBondContact O-N 3.37Å; I9-I11 VanDerWaalsContact C-N 3.34Å; I9-I11 PolarHBondContact O-N 3.4Å; I9-Y12 PolarHBondContact O-N 2.96Å; I9-L13 HydrophobicContact CG2-CD1 3.84Å; I9-L13 HydrophobicContact CG2-CG 4.36Å; I9-L13 WeakPolarHBondContact O-CB 3.01Å; I9-L13 WeakPolarHBondContact O-CG 3.35Å; I9-L13 PolarHBondContact O-N 3.49Å |
| 10 | L | 71.9 | Confident | 67.2 | Low | 115 Ų | 115 | 120.4 Ų | 120.4 | 60% | 0.602 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61 | -40.7 | 176.4 | -83.4 | 162.1 | 0 | 0 | 0 | 112.5 | Q6 K7 V8 L13 A14 | Q6-L10 PolarHBondContact O-N 2.98Å; K7-L10 PolarHBondContact O-N 2.95Å; V8-L10 PolarHBondContact O-N 2.75Å; L10-L13 PolarHBondContact O-N 3.45Å; L10-A14 WeakPolarHBondContact O-CB 3.39Å; L10-A14 PolarHBondContact O-N 3.22Å |
| 11 | I | 75.9 | Confident | 66.6 | Low | 114 Ų | 114 | 122.2 Ų | 122.2 | 59% | 0.585 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.5 | -44.4 | 176 | -68.3 | 164.8 | 0 | 0 | 0 | 110.7 | K7 V8 I9 A14 R15 | K7-I11 VanDerWaalsContact O-CG1 3.29Å; K7-I11 WeakPolarHBondContact O-CG1 3.49Å; K7-I11 PolarHBondContact O-N 3.22Å; V8-I11 PolarHBondContact O-N 2.98Å; I9-I11 VanDerWaalsContact C-N 3.34Å; I9-I11 PolarHBondContact O-N 3.4Å; I11-A14 PolarHBondContact O-N 2.95Å; I11-R15 WeakPolarHBondContact O-CB 3.41Å; I11-R15 PolarHBondContact O-N 3.5Å |
| 12 | Y | 72.8 | Confident | 66.7 | Low | 167 Ų | 167 | 117.9 Ų | 117.9 | 66% | 0.655 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.7 | -43.3 | 176.2 | -92.4 | -80.4 | 0 | 0 | 0 | 111.9 | V8 I9 R15 Y16 | V8-Y12 HydrophobicContact CG1-CD2 3.79Å; V8-Y12 HydrophobicContact CG1-CE2 3.89Å; V8-Y12 WeakPolarHBondContact O-CD2 3.49Å; V8-Y12 PolarHBondContact O-N 3.43Å; I9-Y12 PolarHBondContact O-N 2.96Å; Y12-R15 PolarHBondContact O-N 3.36Å; Y12-Y16 VanDerWaalsContact O-CB 3.3Å; Y12-Y16 WeakPolarHBondContact O-CB 3.38Å; Y12-Y16 PolarHBondContact O-N 3.32Å |
| 13 | L | 71.3 | Confident | 66 | Low | 106 Ų | 106 | 109.2 Ų | 109.2 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 175.7 | -78.5 | 167.5 | 0 | 0 | 0 | 112.2 | I9 L10 Y16 A17 | I9-L13 HydrophobicContact CG2-CD1 3.84Å; I9-L13 HydrophobicContact CG2-CG 4.36Å; I9-L13 WeakPolarHBondContact O-CB 3.01Å; I9-L13 WeakPolarHBondContact O-CG 3.35Å; I9-L13 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 3.45Å; L13-Y16 PolarHBondContact O-N 3.43Å; L13-A17 WeakPolarHBondContact O-CB 3.33Å; L13-A17 PolarHBondContact O-N 3.08Å |
| 14 | A | 71.2 | Confident | 65.4 | Low | 64 Ų | 64 | 110.6 Ų | 110.6 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L10 I11 A17 K18 | L10-A14 WeakPolarHBondContact O-CB 3.39Å; L10-A14 PolarHBondContact O-N 3.22Å; I11-A14 PolarHBondContact O-N 2.95Å; A14-A17 PolarHBondContact O-N 3.34Å; A14-K18 PolarHBondContact O-N 2.89Å |
| 15 | R | 69.8 | Low | 64.6 | Low | 194 Ų | 194 | 114.3 Ų | 114.3 | 73% | 0.732 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 175.8 | -166.9 | 172.9 | -175.1 | 174.4 | 0.9 | 111.6 | I11 Y12 K18 S19 | I11-R15 WeakPolarHBondContact O-CB 3.41Å; I11-R15 PolarHBondContact O-N 3.5Å; Y12-R15 PolarHBondContact O-N 3.36Å; R15-K18 PolarHBondContact O-N 3.04Å; R15-S19 PolarHBondContact O-N 3.44Å |
| 16 | Y | 62.8 | Low | 63.6 | Low | 114 Ų | 114 | 116.8 Ų | 116.8 | 45% | 0.447 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -43.2 | 175.3 | -163.8 | -97.7 | 0 | 0 | 0 | 111.7 | Y12 L13 K18 S19 M20 | Y12-Y16 VanDerWaalsContact O-CB 3.3Å; Y12-Y16 WeakPolarHBondContact O-CB 3.38Å; Y12-Y16 PolarHBondContact O-N 3.32Å; L13-Y16 PolarHBondContact O-N 3.43Å; Y16-K18 VanDerWaalsContact C-N 3.3Å; Y16-K18 PolarHBondContact O-N 2.89Å; Y16-S19 WeakPolarHBondContact O-CB 3.43Å; Y16-S19 PolarHBondContact O-N 3.23Å; Y16-S19 VanDerWaalsContact O-N 3.16Å; Y16-M20 HydrophobicContact CD1-CE 4.38Å; Y16-M20 HydrophobicContact CD1-CG 4.02Å; Y16-M20 HydrophobicContact CE1-CE 3.85Å; Y16-M20 HydrophobicContact CE1-CG 3.99Å; Y16-M20 HydrophobicContact CE1-SD 3.94Å; Y16-M20 VanDerWaalsContact O-CG 3.26Å; Y16-M20 WeakPolarHBondContact O-CG 3.31Å; Y16-M20 PolarHBondContact O-N 3.36Å |
| 17 | A | 64.7 | Low | 63 | Low | 57 Ų | 57 | 113.5 Ų | 113.5 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.7 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L13 A14 M20 K21 | L13-A17 WeakPolarHBondContact O-CB 3.33Å; L13-A17 PolarHBondContact O-N 3.08Å; A14-A17 PolarHBondContact O-N 3.34Å; A17-M20 PolarHBondContact O-N 3Å; A17-K21 PolarHBondContact O-N 3.47Å |
| 18 | K | 63.2 | Low | 62.4 | Low | 150 Ų | 150 | 112 Ų | 112 | 65% | 0.652 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.3 | -43.9 | 172.8 | -171.7 | 176.6 | 174.7 | -179.1 | 0 | 111.6 | A14 R15 Y16 M20 K21 | A14-K18 PolarHBondContact O-N 2.89Å; R15-K18 PolarHBondContact O-N 3.04Å; Y16-K18 VanDerWaalsContact C-N 3.3Å; Y16-K18 PolarHBondContact O-N 2.89Å; K18-M20 VanDerWaalsContact C-N 3.32Å; K18-M20 PolarHBondContact O-N 3.22Å; K18-K21 PolarHBondContact O-N 3.44Å |
| 19 | S | 58.5 | Low | 61.5 | Low | 43 Ų | 43 | 112 Ų | 112 | 30% | 0.301 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -35.2 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 112.5 | R15 Y16 K21 E22 I23 | R15-S19 PolarHBondContact O-N 3.44Å; Y16-S19 WeakPolarHBondContact O-CB 3.43Å; Y16-S19 PolarHBondContact O-N 3.23Å; Y16-S19 VanDerWaalsContact O-N 3.16Å; S19-K21 VanDerWaalsContact C-N 3.28Å; S19-K21 PolarHBondContact O-N 2.98Å; S19-E22 CarbonylContact O-C 3.59Å; S19-E22 WeakPolarHBondContact O-CA 3.33Å; S19-E22 WeakPolarHBondContact O-CB 3.33Å; S19-E22 PolarHBondContact O-N 3.49Å; S19-I23 WeakPolarHBondContact O-CG1 3.47Å; S19-I23 PolarHBondContact O-N 3.35Å |
| 20 | M | 52.2 | Low | 60.6 | Low | 101 Ų | 101 | 111.5 Ų | 111.5 | 50% | 0.498 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.7 | -31.2 | 176.2 | -69.2 | -96.2 | -110.9 | 0 | 0 | 113.6 | Y16 A17 K18 E22 I23 Q24 | Y16-M20 HydrophobicContact CD1-CE 4.38Å; Y16-M20 HydrophobicContact CD1-CG 4.02Å; Y16-M20 HydrophobicContact CE1-CE 3.85Å; Y16-M20 HydrophobicContact CE1-CG 3.99Å; Y16-M20 HydrophobicContact CE1-SD 3.94Å; Y16-M20 VanDerWaalsContact O-CG 3.26Å; Y16-M20 WeakPolarHBondContact O-CG 3.31Å; Y16-M20 PolarHBondContact O-N 3.36Å; A17-M20 PolarHBondContact O-N 3Å; K18-M20 VanDerWaalsContact C-N 3.32Å; K18-M20 PolarHBondContact O-N 3.22Å; M20-E22 VanDerWaalsContact C-N 3.28Å; M20-E22 PolarHBondContact O-N 3.05Å; M20-I23 PolarHBondContact O-N 3.08Å; M20-I23 HydrophobicContact SD-CD1 4.45Å; M20-Q24 PolarHBondContact O-N 2.96Å |
| 21 | K | 54.8 | Low | 59.9 | Low | 158 Ų | 158 | 108.9 Ų | 108.9 | 69% | 0.687 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.7 | -29.3 | 171.4 | -74.6 | -170 | 175.9 | -173.4 | 0 | 112.5 | A17 K18 S19 | A17-K21 PolarHBondContact O-N 3.47Å; K18-K21 PolarHBondContact O-N 3.44Å; S19-K21 VanDerWaalsContact C-N 3.28Å; S19-K21 PolarHBondContact O-N 2.98Å |
| 22 | E | 53.4 | Low | 59 | Low | 111 Ų | 111 | 108.3 Ų | 108.3 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -77.7 | -30.1 | 173.6 | -66.9 | 170.5 | -178 | 0 | 0 | 111.2 | S19 M20 Q24 Y25 Y26 | S19-E22 CarbonylContact O-C 3.59Å; S19-E22 WeakPolarHBondContact O-CA 3.33Å; S19-E22 WeakPolarHBondContact O-CB 3.33Å; S19-E22 PolarHBondContact O-N 3.49Å; M20-E22 VanDerWaalsContact C-N 3.28Å; M20-E22 PolarHBondContact O-N 3.05Å; E22-Q24 VanDerWaalsContact C-N 3.26Å; E22-Q24 PolarHBondContact O-N 3.48Å; E22-Y25 PolarHBondContact O-N 3.34Å; E22-Y26 VanDerWaalsContact O-CD2 3.31Å; E22-Y26 WeakPolarHBondContact O-CD2 3.29Å; E22-Y26 WeakPolarHBondContact O-CE2 3.32Å |
| 23 | I | 50.9 | Low | 58.7 | Low | 31 Ų | 31 | 103.4 Ų | 103.4 | 16% | 0.159 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -65.5 | -25.5 | 177.6 | -64.2 | 169.3 | 0 | 0 | 0 | 112.5 | S19 M20 Y25 Y26 V31 | S19-I23 WeakPolarHBondContact O-CG1 3.47Å; S19-I23 PolarHBondContact O-N 3.35Å; M20-I23 PolarHBondContact O-N 3.08Å; M20-I23 HydrophobicContact SD-CD1 4.45Å; I23-Y25 PolarHBondContact O-N 3.33Å; I23-Y26 PolarHBondContact O-N 3.41Å; I23-V31 HydrophobicContact CG2-CG2 4.13Å |
| 24 | Q | 52.7 | Low | 58.4 | Low | 167 Ų | 167 | 103.8 Ų | 103.8 | 78% | 0.78 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.6 | 175.7 | -73.5 | -174.4 | -28.9 | 0 | 0 | 114.1 | M20 E22 | M20-Q24 PolarHBondContact O-N 2.96Å; E22-Q24 VanDerWaalsContact C-N 3.26Å; E22-Q24 PolarHBondContact O-N 3.48Å |
| 25 | Y | 54.1 | Low | 58.3 | Low | 203 Ų | 203 | 103 Ų | 103 | 80% | 0.796 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7.1 | 177.3 | -66.1 | -80.1 | 0 | 0 | 0 | 114.1 | E22 I23 | E22-Y25 PolarHBondContact O-N 3.34Å; I23-Y25 PolarHBondContact O-N 3.33Å |
| 26 | Y | 48.6 | Very low | 58.4 | Low | 139 Ų | 139 | 102.2 Ų | 102.2 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -98.6 | 135.3 | -177.2 | -64.5 | -92.9 | 0 | 0 | 0 | 110.9 | E22 I23 D30 | E22-Y26 VanDerWaalsContact O-CD2 3.31Å; E22-Y26 WeakPolarHBondContact O-CD2 3.29Å; E22-Y26 WeakPolarHBondContact O-CE2 3.32Å; I23-Y26 PolarHBondContact O-N 3.41Å; Y26-D30 HydrophobicContact CD1-CB 4.11Å; Y26-D30 HydrophobicContact CG-CB 4.3Å |
| 27 | G | 54.3 | Low | 59 | Low | 36 Ų | 36 | 102 Ų | 102 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | trans | -63.5 | 164 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A29 D30 | G27-A29 PolarHBondContact O-N 3.05Å; G27-D30 PolarHBondContact O-N 3.32Å | ||
| 28 | P | 58.9 | Low | 59.5 | Low | 116 Ų | 116 | 101.3 Ų | 101.3 | 75% | 0.753 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -54 | -24.7 | -178 | 20.3 | -32.2 | 0 | 0 | 0 | 113.8 | ||
| 29 | A | 56.5 | Low | 59.9 | Low | 74 Ų | 74 | 100.6 Ų | 100.6 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.9 | -32.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G27 P33 | G27-A29 PolarHBondContact O-N 3.05Å; A29-P33 WeakPolarHBondContact O-CD 3.36Å |
| 30 | D | 54.5 | Low | 60.7 | Low | 82 Ų | 82 | 105.8 Ų | 105.8 | 44% | 0.439 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -89 | -19.7 | -176.2 | -59.5 | -44.9 | 0 | 0 | 0 | 112.7 | Y26 G27 P33 | Y26-D30 HydrophobicContact CD1-CB 4.11Å; Y26-D30 HydrophobicContact CG-CB 4.3Å; G27-D30 PolarHBondContact O-N 3.32Å; D30-P33 VanDerWaalsContact O-CD 3.31Å; D30-P33 WeakPolarHBondContact O-CD 3.36Å; D30-P33 VanDerWaalsContact O-CG 3.3Å; D30-P33 WeakPolarHBondContact O-CG 3.34Å |
| 31 | V | 57.5 | Low | 61.9 | Low | 59 Ų | 59 | 106 Ų | 106 | 36% | 0.358 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -76.3 | -33.8 | 178.4 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | I23 F34 A35 | I23-V31 HydrophobicContact CG2-CG2 4.13Å; V31-F34 PolarHBondContact O-N 3.44Å; V31-A35 PolarHBondContact O-N 3.4Å |
| 32 | L | 57.4 | Low | 62.9 | Low | 103 Ų | 103 | 108.2 Ų | 108.2 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -52.6 | -49.1 | 178.2 | -92.2 | 147.2 | 0 | 0 | 0 | 114.5 | A35 R36 | L32-A35 PolarHBondContact O-N 2.93Å; L32-R36 WeakPolarHBondContact O-CG 3.48Å; L32-R36 PolarHBondContact O-N 3.44Å; L32-R36 VanDerWaalsContact O-N 3.09Å |
| 33 | P | 64.6 | Low | 64.1 | Low | 64 Ų | 64 | 107.2 Ų | 107.2 | 42% | 0.416 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 177.1 | 21.6 | -30.9 | 0 | 0 | 0 | 112.6 | A29 D30 R36 I37 | A29-P33 WeakPolarHBondContact O-CD 3.36Å; D30-P33 VanDerWaalsContact O-CD 3.31Å; D30-P33 WeakPolarHBondContact O-CD 3.36Å; D30-P33 VanDerWaalsContact O-CG 3.3Å; D30-P33 WeakPolarHBondContact O-CG 3.34Å; P33-R36 PolarHBondContact O-N 3.37Å; P33-I37 VanDerWaalsContact O-CG1 3.25Å; P33-I37 WeakPolarHBondContact O-CG1 3.31Å; P33-I37 PolarHBondContact O-N 3.04Å |
| 34 | F | 66.2 | Low | 65.4 | Low | 114 Ų | 114 | 113.1 Ų | 113.1 | 50% | 0.5 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.4 | -42.8 | 175.7 | -91.9 | -83.6 | 0 | 0 | 0 | 112.2 | V31 R36 I37 A38 | V31-F34 PolarHBondContact O-N 3.44Å; F34-R36 PolarHBondContact O-N 2.99Å; F34-I37 PolarHBondContact O-N 3.37Å; F34-A38 WeakPolarHBondContact O-CB 3.3Å; F34-A38 PolarHBondContact O-N 2.94Å |
| 35 | A | 68.1 | Low | 66.6 | Low | 47 Ų | 47 | 108.3 Ų | 108.3 | 39% | 0.388 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V31 L32 I37 A38 E39 | V31-A35 PolarHBondContact O-N 3.4Å; L32-A35 PolarHBondContact O-N 2.93Å; A35-I37 PolarHBondContact O-N 2.98Å; A35-A38 PolarHBondContact O-N 2.92Å; A35-E39 WeakPolarHBondContact O-CG 3.47Å; A35-E39 PolarHBondContact O-N 3.5Å |
| 36 | R | 71.9 | Confident | 67.7 | Low | 177 Ų | 177 | 100.3 Ų | 100.3 | 67% | 0.668 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -39.7 | 176.1 | -74 | -174.4 | -179.8 | -177.8 | 1.8 | 113.1 | L32 P33 F34 A38 E39 F40 | L32-R36 WeakPolarHBondContact O-CG 3.48Å; L32-R36 PolarHBondContact O-N 3.44Å; L32-R36 VanDerWaalsContact O-N 3.09Å; P33-R36 PolarHBondContact O-N 3.37Å; F34-R36 PolarHBondContact O-N 2.99Å; R36-A38 VanDerWaalsContact C-N 3.34Å; R36-E39 PolarHBondContact O-N 3.49Å; R36-F40 WeakPolarHBondContact O-CB 3.26Å; R36-F40 PolarHBondContact O-N 3.43Å |
| 37 | I | 76.4 | Confident | 69 | Low | 111 Ų | 111 | 97 Ų | 97 | 57% | 0.569 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 175.8 | -68 | 163.9 | 0 | 0 | 0 | 110.2 | P33 F34 A35 F40 L41 | P33-I37 VanDerWaalsContact O-CG1 3.25Å; P33-I37 WeakPolarHBondContact O-CG1 3.31Å; P33-I37 PolarHBondContact O-N 3.04Å; F34-I37 PolarHBondContact O-N 3.37Å; A35-I37 PolarHBondContact O-N 2.98Å; I37-F40 PolarHBondContact O-N 3.07Å; I37-L41 VanDerWaalsContact O-CB 3.29Å; I37-L41 WeakPolarHBondContact O-CB 3.42Å; I37-L41 PolarHBondContact O-N 2.97Å |
| 38 | A | 75 | Confident | 70.2 | Confident | 42 Ų | 42 | 97.5 Ų | 97.5 | 35% | 0.347 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F34 A35 R36 L41 W42 | F34-A38 WeakPolarHBondContact O-CB 3.3Å; F34-A38 PolarHBondContact O-N 2.94Å; A35-A38 PolarHBondContact O-N 2.92Å; R36-A38 VanDerWaalsContact C-N 3.34Å; A38-L41 PolarHBondContact O-N 3.28Å; A38-W42 WeakPolarHBondContact O-CB 3.31Å; A38-W42 PolarHBondContact O-N 3.39Å |
| 39 | E | 72.4 | Confident | 71 | Confident | 135 Ų | 135 | 97.1 Ų | 97.1 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61 | -47.6 | 173.6 | -78.3 | -179.7 | 176 | 0 | 0 | 111.7 | A35 R36 L41 W42 V43 | A35-E39 WeakPolarHBondContact O-CG 3.47Å; A35-E39 PolarHBondContact O-N 3.5Å; R36-E39 PolarHBondContact O-N 3.49Å; E39-L41 VanDerWaalsContact C-N 3.34Å; E39-L41 PolarHBondContact O-N 2.91Å; E39-W42 PolarHBondContact O-N 3.21Å; E39-V43 WeakPolarHBondContact O-CG2 3.28Å; E39-V43 PolarHBondContact O-N 3.45Å |
| 40 | F | 74.1 | Confident | 72 | Confident | 151 Ų | 151 | 96.7 Ų | 96.7 | 66% | 0.662 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 178.7 | -171.5 | -95.6 | 0 | 0 | 0 | 111.7 | R36 I37 W42 V43 Y44 | R36-F40 WeakPolarHBondContact O-CB 3.26Å; R36-F40 PolarHBondContact O-N 3.43Å; I37-F40 PolarHBondContact O-N 3.07Å; F40-W42 VanDerWaalsContact C-N 3.35Å; F40-W42 PolarHBondContact O-N 3.34Å; F40-V43 PolarHBondContact O-N 2.93Å; F40-Y44 VanDerWaalsContact O-CB 3.31Å; F40-Y44 WeakPolarHBondContact O-CB 3.47Å; F40-Y44 PolarHBondContact O-N 2.99Å |
| 41 | L | 77.2 | Confident | 73.1 | Confident | 105 Ų | 105 | 101 Ų | 101 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 175.9 | -170.4 | 72 | 0 | 0 | 0 | 111.3 | I37 A38 E39 Y44 V45 | I37-L41 VanDerWaalsContact O-CB 3.29Å; I37-L41 WeakPolarHBondContact O-CB 3.42Å; I37-L41 PolarHBondContact O-N 2.97Å; A38-L41 PolarHBondContact O-N 3.28Å; E39-L41 VanDerWaalsContact C-N 3.34Å; E39-L41 PolarHBondContact O-N 2.91Å; L41-Y44 PolarHBondContact O-N 3.5Å; L41-V45 HydrophobicContact CD1-CG2 4.39Å; L41-V45 HydrophobicContact CG-CG2 4.31Å; L41-V45 VanDerWaalsContact O-CB 3.31Å; L41-V45 WeakPolarHBondContact O-CB 3.37Å; L41-V45 WeakPolarHBondContact O-CG2 3.39Å; L41-V45 PolarHBondContact O-N 3.42Å |
| 42 | W | 77 | Confident | 74.1 | Confident | 205 Ų | 205 | 101.6 Ų | 101.6 | 78% | 0.777 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -45.3 | 176.3 | -179.4 | -97.2 | 0 | 0 | 0 | 112 | A38 E39 F40 G46 | A38-W42 WeakPolarHBondContact O-CB 3.31Å; A38-W42 PolarHBondContact O-N 3.39Å; E39-W42 PolarHBondContact O-N 3.21Å; F40-W42 VanDerWaalsContact C-N 3.35Å; F40-W42 PolarHBondContact O-N 3.34Å; W42-G46 WeakPolarHBondContact O-CA 3.5Å; W42-G46 PolarHBondContact O-N 2.96Å |
| 43 | V | 77.7 | Confident | 75.2 | Confident | 90 Ų | 90 | 101.3 Ų | 101.3 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | E39 F40 S47 | E39-V43 WeakPolarHBondContact O-CG2 3.28Å; E39-V43 PolarHBondContact O-N 3.45Å; F40-V43 PolarHBondContact O-N 2.93Å; V43-S47 VanDerWaalsContact O-CB 3.25Å; V43-S47 WeakPolarHBondContact O-CB 3.37Å; V43-S47 PolarHBondContact O-N 3.35Å; V43-S47 PolarHBondContact O-OG 3.47Å |
| 44 | Y | 77.4 | Confident | 75.9 | Confident | 155 Ų | 155 | 100 Ų | 100 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -47.3 | 178.9 | -171.7 | -100.1 | 0 | 0 | 0 | 112.2 | F40 L41 S47 A48 | F40-Y44 VanDerWaalsContact O-CB 3.31Å; F40-Y44 WeakPolarHBondContact O-CB 3.47Å; F40-Y44 PolarHBondContact O-N 2.99Å; L41-Y44 PolarHBondContact O-N 3.5Å; Y44-S47 PolarHBondContact O-N 2.84Å; Y44-A48 VanDerWaalsContact O-CB 3.32Å; Y44-A48 WeakPolarHBondContact O-CB 3.27Å; Y44-A48 PolarHBondContact O-N 2.89Å |
| 45 | V | 78.7 | Confident | 76.6 | Confident | 67 Ų | 67 | 98.4 Ų | 98.4 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -42 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | L41 A48 L49 | L41-V45 HydrophobicContact CD1-CG2 4.39Å; L41-V45 HydrophobicContact CG-CG2 4.31Å; L41-V45 VanDerWaalsContact O-CB 3.31Å; L41-V45 WeakPolarHBondContact O-CB 3.37Å; L41-V45 WeakPolarHBondContact O-CG2 3.39Å; L41-V45 PolarHBondContact O-N 3.42Å; V45-A48 PolarHBondContact O-N 3.49Å; V45-L49 HydrophobicContact CG1-CD1 3.94Å; V45-L49 HydrophobicContact CG1-CG 4.4Å; V45-L49 WeakPolarHBondContact O-CB 3.23Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.38Å; V45-L49 PolarHBondContact O-N 3.32Å |
| 46 | G | 77.5 | Confident | 77.2 | Confident | 35 Ų | 35 | 103.3 Ų | 103.3 | 36% | 0.361 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W42 L49 A50 | W42-G46 WeakPolarHBondContact O-CA 3.5Å; W42-G46 PolarHBondContact O-N 2.96Å; G46-L49 PolarHBondContact O-N 3Å; G46-A50 WeakPolarHBondContact O-CB 3.13Å; G46-A50 PolarHBondContact O-N 2.83Å |
| 47 | S | 76.3 | Confident | 77.7 | Confident | 70 Ų | 70 | 101.7 Ų | 101.7 | 49% | 0.49 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | V43 Y44 A50 Y51 | V43-S47 VanDerWaalsContact O-CB 3.25Å; V43-S47 WeakPolarHBondContact O-CB 3.37Å; V43-S47 PolarHBondContact O-N 3.35Å; V43-S47 PolarHBondContact O-OG 3.47Å; Y44-S47 PolarHBondContact O-N 2.84Å; S47-A50 PolarHBondContact O-N 3.35Å; S47-Y51 WeakPolarHBondContact O-CB 3.44Å; S47-Y51 PolarHBondContact O-N 3.06Å |
| 48 | A | 78.1 | Confident | 77.8 | Confident | 46 Ų | 46 | 102.8 Ų | 102.8 | 38% | 0.38 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y44 V45 Y51 V52 | Y44-A48 VanDerWaalsContact O-CB 3.32Å; Y44-A48 WeakPolarHBondContact O-CB 3.27Å; Y44-A48 PolarHBondContact O-N 2.89Å; V45-A48 PolarHBondContact O-N 3.49Å; A48-Y51 PolarHBondContact O-N 3.43Å; A48-V52 VanDerWaalsContact O-CG2 3.31Å; A48-V52 WeakPolarHBondContact O-CG2 3.49Å; A48-V52 PolarHBondContact O-N 3.44Å |
| 49 | L | 75.9 | Confident | 78.2 | Confident | 108 Ų | 108 | 102.8 Ų | 102.8 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.7 | -43.7 | 175.2 | -74.7 | 172.1 | 0 | 0 | 0 | 111.5 | V45 G46 Y51 V52 V53 | V45-L49 HydrophobicContact CG1-CD1 3.94Å; V45-L49 HydrophobicContact CG1-CG 4.4Å; V45-L49 WeakPolarHBondContact O-CB 3.23Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.38Å; V45-L49 PolarHBondContact O-N 3.32Å; G46-L49 PolarHBondContact O-N 3Å; L49-Y51 VanDerWaalsContact C-N 3.33Å; L49-Y51 PolarHBondContact O-N 3.41Å; L49-V52 PolarHBondContact O-N 2.93Å; L49-V53 WeakPolarHBondContact O-CB 3.45Å; L49-V53 VanDerWaalsContact O-CG2 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.38Å; L49-V53 PolarHBondContact O-N 3.21Å |
| 50 | A | 77.1 | Confident | 78.8 | Confident | 65 Ų | 65 | 100.1 Ų | 100.1 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G46 S47 V53 G54 | G46-A50 WeakPolarHBondContact O-CB 3.13Å; G46-A50 PolarHBondContact O-N 2.83Å; S47-A50 PolarHBondContact O-N 3.35Å; A50-V53 PolarHBondContact O-N 3.24Å; A50-G54 PolarHBondContact O-N 3.46Å |
| 51 | Y | 78.6 | Confident | 79.2 | Confident | 171 Ų | 171 | 95.6 Ų | 95.6 | 67% | 0.671 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63 | -47.6 | 175.4 | -176.9 | -99.9 | 0 | 0 | 0 | 112.1 | S47 A48 L49 V53 G54 V55 | S47-Y51 WeakPolarHBondContact O-CB 3.44Å; S47-Y51 PolarHBondContact O-N 3.06Å; A48-Y51 PolarHBondContact O-N 3.43Å; L49-Y51 VanDerWaalsContact C-N 3.33Å; L49-Y51 PolarHBondContact O-N 3.41Å; Y51-V53 PolarHBondContact O-N 3.39Å; Y51-G54 PolarHBondContact O-N 3.11Å; Y51-V55 HydrophobicContact CD1-CG2 4.18Å; Y51-V55 HydrophobicContact CD2-CG2 4.36Å; Y51-V55 HydrophobicContact CE1-CG2 3.82Å; Y51-V55 HydrophobicContact CE2-CG2 4.01Å; Y51-V55 HydrophobicContact CG-CG2 4.44Å; Y51-V55 WeakPolarHBondContact O-CB 3.32Å; Y51-V55 VanDerWaalsContact O-CG2 3.3Å; Y51-V55 WeakPolarHBondContact O-CG2 3.39Å; Y51-V55 PolarHBondContact O-N 2.97Å |
| 52 | V | 78 | Confident | 79.5 | Confident | 73 Ų | 73 | 99.4 Ų | 99.4 | 44% | 0.442 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | A48 L49 K56 | A48-V52 VanDerWaalsContact O-CG2 3.31Å; A48-V52 WeakPolarHBondContact O-CG2 3.49Å; A48-V52 PolarHBondContact O-N 3.44Å; L49-V52 PolarHBondContact O-N 2.93Å; V52-K56 HydrophobicContact CG1-CD 4.43Å; V52-K56 WeakPolarHBondContact O-CB 3.33Å; V52-K56 WeakPolarHBondContact O-CG 3.44Å; V52-K56 PolarHBondContact O-N 3.09Å; V52-K56 VanDerWaalsContact O-N 3.09Å |
| 53 | V | 79.9 | Confident | 80 | Confident | 96 Ų | 96 | 95.9 Ų | 95.9 | 58% | 0.582 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -45.1 | 176 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | L49 A50 Y51 K56 F57 | L49-V53 WeakPolarHBondContact O-CB 3.45Å; L49-V53 VanDerWaalsContact O-CG2 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.38Å; L49-V53 PolarHBondContact O-N 3.21Å; A50-V53 PolarHBondContact O-N 3.24Å; Y51-V53 PolarHBondContact O-N 3.39Å; V53-K56 PolarHBondContact O-N 2.98Å; V53-F57 VanDerWaalsContact O-CB 3.29Å; V53-F57 WeakPolarHBondContact O-CB 3.18Å; V53-F57 PolarHBondContact O-N 3.37Å |
| 54 | G | 80.5 | Confident | 80.4 | Confident | 38 Ų | 38 | 95.7 Ų | 95.7 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A50 Y51 F57 M58 | A50-G54 PolarHBondContact O-N 3.46Å; Y51-G54 PolarHBondContact O-N 3.11Å; G54-F57 PolarHBondContact O-N 2.99Å; G54-M58 WeakPolarHBondContact O-CB 3.46Å; G54-M58 PolarHBondContact O-N 3.04Å |
| 55 | V | 80.6 | Confident | 80.9 | Confident | 79 Ų | 79 | 93 Ų | 93 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | Y51 F57 M58 G59 | Y51-V55 HydrophobicContact CD1-CG2 4.18Å; Y51-V55 HydrophobicContact CD2-CG2 4.36Å; Y51-V55 HydrophobicContact CE1-CG2 3.82Å; Y51-V55 HydrophobicContact CE2-CG2 4.01Å; Y51-V55 HydrophobicContact CG-CG2 4.44Å; Y51-V55 WeakPolarHBondContact O-CB 3.32Å; Y51-V55 VanDerWaalsContact O-CG2 3.3Å; Y51-V55 WeakPolarHBondContact O-CG2 3.39Å; Y51-V55 PolarHBondContact O-N 2.97Å; V55-F57 VanDerWaalsContact C-N 3.34Å; V55-F57 PolarHBondContact O-N 3.4Å; V55-M58 PolarHBondContact O-N 3.37Å; V55-G59 PolarHBondContact O-N 3.41Å |
| 56 | K | 79.9 | Confident | 81.3 | Confident | 151 Ų | 151 | 96.3 Ų | 96.3 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.8 | -37.9 | 176 | -78 | -175 | 177 | -177.2 | 0 | 112.5 | V52 V53 T60 | V52-K56 HydrophobicContact CG1-CD 4.43Å; V52-K56 WeakPolarHBondContact O-CB 3.33Å; V52-K56 WeakPolarHBondContact O-CG 3.44Å; V52-K56 PolarHBondContact O-N 3.09Å; V52-K56 VanDerWaalsContact O-N 3.09Å; V53-K56 PolarHBondContact O-N 2.98Å; K56-T60 WeakPolarHBondContact O-CB 3.45Å; K56-T60 PolarHBondContact O-N 3.47Å; K56-T60 PolarHBondContact O-OG1 3.23Å |
| 57 | F | 82.3 | Confident | 81.8 | Confident | 143 Ų | 143 | 98.9 Ų | 98.9 | 63% | 0.627 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.4 | -47.7 | 176.6 | -169.5 | -99.2 | 0 | 0 | 0 | 110.6 | V53 G54 V55 G59 T60 V61 | V53-F57 VanDerWaalsContact O-CB 3.29Å; V53-F57 WeakPolarHBondContact O-CB 3.18Å; V53-F57 PolarHBondContact O-N 3.37Å; G54-F57 PolarHBondContact O-N 2.99Å; V55-F57 VanDerWaalsContact C-N 3.34Å; V55-F57 PolarHBondContact O-N 3.4Å; F57-G59 VanDerWaalsContact C-N 3.35Å; F57-G59 PolarHBondContact O-N 2.84Å; F57-T60 PolarHBondContact O-N 2.68Å; F57-V61 HydrophobicContact CD1-CG2 3.98Å; F57-V61 HydrophobicContact CE1-CG2 3.71Å; F57-V61 HydrophobicContact CZ-CG2 4.1Å; F57-V61 WeakPolarHBondContact O-CG2 3.49Å; F57-V61 PolarHBondContact O-N 3.01Å |
| 58 | M | 80.2 | Confident | 82.4 | Confident | 134 Ų | 134 | 100.3 Ų | 100.3 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -37.7 | 179.6 | -161.3 | 163.8 | -177.6 | 0 | 0 | 112.5 | G54 V55 R62 | G54-M58 WeakPolarHBondContact O-CB 3.46Å; G54-M58 PolarHBondContact O-N 3.04Å; V55-M58 PolarHBondContact O-N 3.37Å; M58-R62 VanDerWaalsContact O-CG 3.31Å; M58-R62 WeakPolarHBondContact O-CG 3.49Å; M58-R62 PolarHBondContact O-N 3.06Å |
| 59 | G | 82.5 | Confident | 83 | Confident | 41 Ų | 41 | 101.8 Ų | 101.8 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V55 F57 R62 F63 | V55-G59 PolarHBondContact O-N 3.41Å; F57-G59 VanDerWaalsContact C-N 3.35Å; F57-G59 PolarHBondContact O-N 2.84Å; G59-R62 PolarHBondContact O-N 3.23Å; G59-F63 WeakPolarHBondContact O-CB 3.37Å; G59-F63 PolarHBondContact O-N 3.36Å |
| 60 | T | 84.6 | Confident | 83.6 | Confident | 79 Ų | 79 | 99.8 Ų | 99.8 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | K56 F57 R62 F63 I64 | K56-T60 WeakPolarHBondContact O-CB 3.45Å; K56-T60 PolarHBondContact O-N 3.47Å; K56-T60 PolarHBondContact O-OG1 3.23Å; F57-T60 PolarHBondContact O-N 2.68Å; T60-R62 PolarHBondContact O-N 3.07Å; T60-F63 PolarHBondContact O-N 3.49Å; T60-I64 HydrophobicContact CG2-CD1 3.8Å; T60-I64 HydrophobicContact CG2-CG1 4.36Å; T60-I64 WeakPolarHBondContact O-CG1 3.3Å; T60-I64 PolarHBondContact O-N 2.86Å |
| 61 | V | 83.7 | Confident | 84.1 | Confident | 56 Ų | 56 | 101.4 Ų | 101.4 | 34% | 0.339 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111 | F57 F63 I64 L65 | F57-V61 HydrophobicContact CD1-CG2 3.98Å; F57-V61 HydrophobicContact CE1-CG2 3.71Å; F57-V61 HydrophobicContact CZ-CG2 4.1Å; F57-V61 WeakPolarHBondContact O-CG2 3.49Å; F57-V61 PolarHBondContact O-N 3.01Å; V61-F63 VanDerWaalsContact C-N 3.32Å; V61-F63 PolarHBondContact O-N 3.37Å; V61-I64 PolarHBondContact O-N 3.38Å; V61-L65 HydrophobicContact CG1-CD1 3.92Å; V61-L65 HydrophobicContact CG1-CG 4.37Å; V61-L65 WeakPolarHBondContact O-CB 3.34Å; V61-L65 WeakPolarHBondContact O-CG 3.46Å; V61-L65 PolarHBondContact O-N 2.74Å |
| 62 | R | 83.9 | Confident | 84.6 | Confident | 186 Ų | 186 | 96.2 Ų | 96.2 | 70% | 0.702 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 175.7 | -73.2 | 177.1 | 73 | 178.6 | 3.7 | 112 | M58 G59 T60 F66 | M58-R62 VanDerWaalsContact O-CG 3.31Å; M58-R62 WeakPolarHBondContact O-CG 3.49Å; M58-R62 PolarHBondContact O-N 3.06Å; G59-R62 PolarHBondContact O-N 3.23Å; T60-R62 PolarHBondContact O-N 3.07Å; R62-F66 WeakPolarHBondContact O-CB 3.42Å; R62-F66 PolarHBondContact O-N 2.91Å |
| 63 | F | 86.5 | Confident | 85.2 | Confident | 130 Ų | 130 | 97.7 Ų | 97.7 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.4 | -44.8 | 177.2 | -178.1 | -102.7 | 0 | 0 | 0 | 112.1 | G59 T60 V61 F66 Q67 | G59-F63 WeakPolarHBondContact O-CB 3.37Å; G59-F63 PolarHBondContact O-N 3.36Å; T60-F63 PolarHBondContact O-N 3.49Å; V61-F63 VanDerWaalsContact C-N 3.32Å; V61-F63 PolarHBondContact O-N 3.37Å; F63-F66 PolarHBondContact O-N 3.42Å; F63-Q67 HydrophobicContact CD1-CG 4.36Å; F63-Q67 HydrophobicContact CE1-CG 4Å; F63-Q67 HydrophobicContact CE2-CG 4.42Å; F63-Q67 HydrophobicContact CZ-CG 4.03Å; F63-Q67 WeakPolarHBondContact O-CG 3.41Å; F63-Q67 PolarHBondContact O-N 3.1Å |
| 64 | I | 86.7 | Confident | 85.8 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 176.6 | -69.1 | 169.4 | 0 | 0 | 0 | 110.4 | T60 V61 F66 Q67 I68 | T60-I64 HydrophobicContact CG2-CD1 3.8Å; T60-I64 HydrophobicContact CG2-CG1 4.36Å; T60-I64 WeakPolarHBondContact O-CG1 3.3Å; T60-I64 PolarHBondContact O-N 2.86Å; V61-I64 PolarHBondContact O-N 3.38Å; I64-F66 VanDerWaalsContact C-N 3.31Å; I64-F66 PolarHBondContact O-N 2.86Å; I64-Q67 PolarHBondContact O-N 3.29Å; I64-I68 HydrophobicContact CG2-CD1 3.68Å; I64-I68 HydrophobicContact CG2-CG1 4.31Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.29Å; I64-I68 PolarHBondContact O-N 2.88Å |
| 65 | L | 86.9 | Confident | 86.2 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 176 | -74.3 | 171.6 | 0 | 0 | 0 | 111.5 | V61 Q67 I68 V69 | V61-L65 HydrophobicContact CG1-CD1 3.92Å; V61-L65 HydrophobicContact CG1-CG 4.37Å; V61-L65 WeakPolarHBondContact O-CB 3.34Å; V61-L65 WeakPolarHBondContact O-CG 3.46Å; V61-L65 PolarHBondContact O-N 2.74Å; L65-Q67 PolarHBondContact O-N 3.21Å; L65-I68 PolarHBondContact O-N 3.41Å; L65-V69 WeakPolarHBondContact O-CB 3.28Å; L65-V69 VanDerWaalsContact O-CG2 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 3.24Å |
| 66 | F | 88.7 | Confident | 86.6 | Confident | 136 Ų | 136 | 104.9 Ų | 104.9 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 177.2 | -173 | -97.2 | 0 | 0 | 0 | 112.2 | R62 F63 I64 V69 N70 | R62-F66 WeakPolarHBondContact O-CB 3.42Å; R62-F66 PolarHBondContact O-N 2.91Å; F63-F66 PolarHBondContact O-N 3.42Å; I64-F66 VanDerWaalsContact C-N 3.31Å; I64-F66 PolarHBondContact O-N 2.86Å; F66-V69 PolarHBondContact O-N 3.12Å; F66-N70 WeakPolarHBondContact O-CB 3.21Å; F66-N70 PolarHBondContact O-N 3.4Å |
| 67 | Q | 87 | Confident | 87.1 | Confident | 88 Ų | 88 | 100.4 Ų | 100.4 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 175.5 | -68.4 | -66 | -17 | 0 | 0 | 112.1 | F63 I64 L65 N70 N71 | F63-Q67 HydrophobicContact CD1-CG 4.36Å; F63-Q67 HydrophobicContact CE1-CG 4Å; F63-Q67 HydrophobicContact CE2-CG 4.42Å; F63-Q67 HydrophobicContact CZ-CG 4.03Å; F63-Q67 WeakPolarHBondContact O-CG 3.41Å; F63-Q67 PolarHBondContact O-N 3.1Å; I64-Q67 PolarHBondContact O-N 3.29Å; L65-Q67 PolarHBondContact O-N 3.21Å; Q67-N70 PolarHBondContact O-N 3.46Å; Q67-N71 WeakPolarHBondContact O-CB 3.34Å; Q67-N71 PolarHBondContact O-N 3.3Å |
| 68 | I | 89.2 | Confident | 87.5 | Confident | 101 Ų | 101 | 100.9 Ų | 100.9 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 175.8 | -68.8 | 167.7 | 0 | 0 | 0 | 109.9 | I64 L65 N71 S72 | I64-I68 HydrophobicContact CG2-CD1 3.68Å; I64-I68 HydrophobicContact CG2-CG1 4.31Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.29Å; I64-I68 PolarHBondContact O-N 2.88Å; L65-I68 PolarHBondContact O-N 3.41Å; I68-N71 PolarHBondContact O-N 3.48Å; I68-S72 VanDerWaalsContact O-CB 3.3Å; I68-S72 WeakPolarHBondContact O-CB 3.33Å; I68-S72 PolarHBondContact O-N 3.35Å; I68-S72 PolarHBondContact O-OG 2.88Å |
| 69 | V | 90.8 | Very high | 87.9 | Confident | 76 Ų | 76 | 101 Ų | 101 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 178.4 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | L65 F66 N71 S72 L73 | L65-V69 WeakPolarHBondContact O-CB 3.28Å; L65-V69 VanDerWaalsContact O-CG2 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 3.24Å; F66-V69 PolarHBondContact O-N 3.12Å; V69-N71 PolarHBondContact O-N 2.99Å; V69-S72 WeakPolarHBondContact CA-OG 3.32Å; V69-S72 PolarHBondContact O-N 2.93Å; V69-S72 PolarHBondContact O-OG 2.84Å; V69-L73 HydrophobicContact CG1-CD1 3.91Å; V69-L73 HydrophobicContact CG1-CG 4.37Å; V69-L73 WeakPolarHBondContact O-CB 3.19Å; V69-L73 WeakPolarHBondContact O-CG 3.41Å; V69-L73 PolarHBondContact O-N 3.28Å |
| 70 | N | 87.6 | Confident | 88.4 | Confident | 67 Ų | 67 | 102.8 Ų | 102.8 | 36% | 0.358 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | -179.7 | -170 | 33.8 | 0 | 0 | 0 | 112.6 | F66 Q67 R74 | F66-N70 WeakPolarHBondContact O-CB 3.21Å; F66-N70 PolarHBondContact O-N 3.4Å; Q67-N70 PolarHBondContact O-N 3.46Å; N70-R74 WeakPolarHBondContact O-CB 3.5Å; N70-R74 PolarHBondContact O-N 3.44Å; N70-R74 VanDerWaalsContact O-N 3.1Å |
| 71 | N | 88.8 | Confident | 88.7 | Confident | 98 Ų | 98 | 106.4 Ų | 106.4 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 175.5 | -169.5 | 54.8 | 0 | 0 | 0 | 111.2 | Q67 I68 V69 L73 R74 T75 | Q67-N71 WeakPolarHBondContact O-CB 3.34Å; Q67-N71 PolarHBondContact O-N 3.3Å; I68-N71 PolarHBondContact O-N 3.48Å; V69-N71 PolarHBondContact O-N 2.99Å; N71-L73 PolarHBondContact O-N 2.87Å; N71-R74 PolarHBondContact O-N 3.49Å; N71-T75 PolarHBondContact O-N 2.88Å; N71-T75 PolarHBondContact O-OG1 3.41Å; N71-T75 VanDerWaalsContact O-OG1 3.12Å |
| 72 | S | 88.4 | Confident | 89.1 | Confident | 63 Ų | 63 | 106 Ų | 106 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 178.4 | 71 | 0 | 0 | 0 | 0 | 112.6 | I68 V69 T75 F76 | I68-S72 VanDerWaalsContact O-CB 3.3Å; I68-S72 WeakPolarHBondContact O-CB 3.33Å; I68-S72 PolarHBondContact O-N 3.35Å; I68-S72 PolarHBondContact O-OG 2.88Å; V69-S72 WeakPolarHBondContact CA-OG 3.32Å; V69-S72 PolarHBondContact O-N 2.93Å; V69-S72 PolarHBondContact O-OG 2.84Å; S72-T75 PolarHBondContact O-N 2.88Å; S72-F76 WeakPolarHBondContact O-CB 3.29Å; S72-F76 PolarHBondContact O-N 3.03Å |
| 73 | L | 91.4 | Very high | 89.5 | Confident | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 175.5 | -74.4 | 172.2 | 0 | 0 | 0 | 112 | V69 N71 F76 A77 | V69-L73 HydrophobicContact CG1-CD1 3.91Å; V69-L73 HydrophobicContact CG1-CG 4.37Å; V69-L73 WeakPolarHBondContact O-CB 3.19Å; V69-L73 WeakPolarHBondContact O-CG 3.41Å; V69-L73 PolarHBondContact O-N 3.28Å; N71-L73 PolarHBondContact O-N 2.87Å; L73-F76 PolarHBondContact O-N 3.48Å; L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 3.33Å |
| 74 | R | 92.1 | Very high | 89.6 | Confident | 172 Ų | 172 | 102.5 Ų | 102.5 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 175.9 | -178.9 | -178 | -65.7 | 176.3 | -1.3 | 111.4 | N70 N71 A77 W78 | N70-R74 WeakPolarHBondContact O-CB 3.5Å; N70-R74 PolarHBondContact O-N 3.44Å; N70-R74 VanDerWaalsContact O-N 3.1Å; N71-R74 PolarHBondContact O-N 3.49Å; R74-A77 PolarHBondContact O-N 3.42Å; R74-W78 PolarHBondContact O-N 2.95Å |
| 75 | T | 88.6 | Confident | 89.8 | Confident | 60 Ų | 60 | 105.4 Ų | 105.4 | 37% | 0.368 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | N71 S72 A77 W78 Y79 | N71-T75 PolarHBondContact O-N 2.88Å; N71-T75 PolarHBondContact O-OG1 3.41Å; N71-T75 VanDerWaalsContact O-OG1 3.12Å; S72-T75 PolarHBondContact O-N 2.88Å; T75-A77 PolarHBondContact O-N 3Å; T75-W78 WeakPolarHBondContact O-CB 3.49Å; T75-W78 PolarHBondContact O-N 3.2Å; T75-Y79 HydrophobicContact CG2-CD2 3.74Å; T75-Y79 HydrophobicContact CG2-CE2 3.41Å; T75-Y79 VanDerWaalsContact CG2-CE2 3.41Å; T75-Y79 WeakPolarHBondContact O-CD2 3.3Å; T75-Y79 PolarHBondContact O-N 3.42Å |
| 76 | F | 89.2 | Confident | 90 | Very high | 132 Ų | 132 | 105.4 Ų | 105.4 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61 | -44.3 | 175.8 | -177.3 | -101.6 | 0 | 0 | 0 | 112.2 | S72 L73 W78 Y79 L80 | S72-F76 WeakPolarHBondContact O-CB 3.29Å; S72-F76 PolarHBondContact O-N 3.03Å; L73-F76 PolarHBondContact O-N 3.48Å; F76-W78 VanDerWaalsContact C-N 3.29Å; F76-W78 PolarHBondContact O-N 2.88Å; F76-Y79 PolarHBondContact O-N 2.91Å; F76-L80 HydrophobicContact CE1-CD1 4.45Å; F76-L80 HydrophobicContact CZ-CD1 4.34Å; F76-L80 WeakPolarHBondContact O-CB 3.5Å; F76-L80 PolarHBondContact O-N 3.4Å |
| 77 | A | 89.3 | Confident | 90.2 | Very high | 56 Ų | 56 | 100.5 Ų | 100.5 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L73 R74 T75 K81 | L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 3.33Å; R74-A77 PolarHBondContact O-N 3.42Å; T75-A77 PolarHBondContact O-N 3Å; A77-K81 WeakPolarHBondContact O-CB 3.47Å; A77-K81 PolarHBondContact O-N 3.23Å |
| 78 | W | 91.2 | Very high | 90.5 | Very high | 153 Ų | 153 | 98.7 Ų | 98.7 | 58% | 0.58 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -47.6 | 173.9 | -176 | 87 | 0 | 0 | 0 | 111.8 | R74 T75 F76 L80 K81 E82 | R74-W78 PolarHBondContact O-N 2.95Å; T75-W78 WeakPolarHBondContact O-CB 3.49Å; T75-W78 PolarHBondContact O-N 3.2Å; F76-W78 VanDerWaalsContact C-N 3.29Å; F76-W78 PolarHBondContact O-N 2.88Å; W78-L80 PolarHBondContact O-N 3.18Å; W78-K81 PolarHBondContact O-N 2.88Å; W78-E82 PolarHBondContact O-N 2.87Å; W78-E82 VanDerWaalsContact O-N 3.09Å |
| 79 | Y | 89.6 | Confident | 90.6 | Very high | 136 Ų | 136 | 98.6 Ų | 98.6 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 175.9 | -79.7 | -64.4 | 0 | 0 | 0 | 112.4 | T75 F76 K81 E82 V83 | T75-Y79 HydrophobicContact CG2-CD2 3.74Å; T75-Y79 HydrophobicContact CG2-CE2 3.41Å; T75-Y79 VanDerWaalsContact CG2-CE2 3.41Å; T75-Y79 WeakPolarHBondContact O-CD2 3.3Å; T75-Y79 PolarHBondContact O-N 3.42Å; F76-Y79 PolarHBondContact O-N 2.91Å; Y79-K81 VanDerWaalsContact C-N 3.34Å; Y79-K81 PolarHBondContact O-N 3.49Å; Y79-E82 PolarHBondContact O-N 2.97Å; Y79-V83 WeakPolarHBondContact O-CG2 3.41Å; Y79-V83 PolarHBondContact O-N 3.32Å |
| 80 | L | 91.6 | Very high | 90.6 | Very high | 80 Ų | 80 | 97.2 Ų | 97.2 | 42% | 0.419 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 179.4 | -166 | 82.7 | 0 | 0 | 0 | 110.9 | F76 W78 E82 V83 F84 | F76-L80 HydrophobicContact CE1-CD1 4.45Å; F76-L80 HydrophobicContact CZ-CD1 4.34Å; F76-L80 WeakPolarHBondContact O-CB 3.5Å; F76-L80 PolarHBondContact O-N 3.4Å; W78-L80 PolarHBondContact O-N 3.18Å; L80-E82 VanDerWaalsContact C-N 3.32Å; L80-E82 PolarHBondContact O-N 3.38Å; L80-V83 PolarHBondContact O-N 2.94Å; L80-F84 HydrophobicContact CD1-CD2 4.48Å; L80-F84 HydrophobicContact CD1-CE2 3.88Å; L80-F84 HydrophobicContact CD2-CD2 4.38Å; L80-F84 HydrophobicContact CD2-CE2 3.9Å; L80-F84 HydrophobicContact CG-CD2 3.83Å; L80-F84 HydrophobicContact CG-CE2 3.56Å; L80-F84 WeakPolarHBondContact O-CD2 3.43Å; L80-F84 PolarHBondContact O-N 3.29Å |
| 81 | K | 91.8 | Very high | 90.9 | Very high | 155 Ų | 155 | 99.9 Ų | 99.9 | 67% | 0.674 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.7 | -43.4 | 176.8 | -177.2 | -178.2 | 177.9 | -178 | 0 | 111.8 | A77 W78 Y79 F84 R85 | A77-K81 WeakPolarHBondContact O-CB 3.47Å; A77-K81 PolarHBondContact O-N 3.23Å; W78-K81 PolarHBondContact O-N 2.88Å; Y79-K81 VanDerWaalsContact C-N 3.34Å; Y79-K81 PolarHBondContact O-N 3.49Å; K81-F84 PolarHBondContact O-N 3.44Å; K81-R85 WeakPolarHBondContact O-CB 3.35Å; K81-R85 PolarHBondContact O-N 2.89Å |
| 82 | E | 91.7 | Very high | 91.2 | Very high | 48 Ų | 48 | 100.4 Ų | 100.4 | 22% | 0.224 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -69.4 | -41 | -178 | -164.4 | 56.9 | -147.7 | 0 | 0 | 112 | W78 Y79 L80 R85 L86 | W78-E82 PolarHBondContact O-N 2.87Å; W78-E82 VanDerWaalsContact O-N 3.09Å; Y79-E82 PolarHBondContact O-N 2.97Å; L80-E82 VanDerWaalsContact C-N 3.32Å; L80-E82 PolarHBondContact O-N 3.38Å; E82-R85 WeakPolarHBondContact O-CB 3.25Å; E82-R85 PolarHBondContact O-N 3.43Å; E82-R85 IonicContact OE1-CZ 3.24Å; E82-R85 VanDerWaalsContact OE1-CZ 3.24Å; E82-R85 IonicContact OE1-NE 3.04Å; E82-R85 PolarHBondContact OE1-NE 2.8Å; E82-R85 IonicContact OE1-NH2 2.68Å; E82-R85 PolarHBondContact OE1-NH2 3.04Å; E82-R85 IonicContact OE2-CZ 3.71Å; E82-R85 IonicContact OE2-NE 3.37Å; E82-R85 PolarHBondContact OE2-NE 3.36Å; E82-R85 IonicContact OE2-NH2 3.65Å; E82-L86 HydrophobicContact CG-CD1 4.35Å; E82-L86 WeakPolarHBondContact O-CG 3.42Å; E82-L86 PolarHBondContact O-N 3.44Å |
| 83 | V | 91.5 | Very high | 91.5 | Very high | 100 Ų | 100 | 101.7 Ų | 101.7 | 61% | 0.606 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 111 | Y79 L80 R85 L86 G87 | Y79-V83 WeakPolarHBondContact O-CG2 3.41Å; Y79-V83 PolarHBondContact O-N 3.32Å; L80-V83 PolarHBondContact O-N 2.94Å; V83-R85 VanDerWaalsContact C-N 3.32Å; V83-R85 PolarHBondContact O-N 3.01Å; V83-L86 PolarHBondContact O-N 3.31Å; V83-G87 PolarHBondContact O-N 2.91Å |
| 84 | F | 90.6 | Very high | 91.6 | Very high | 142 Ų | 142 | 102.1 Ų | 102.1 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -37.7 | 176 | -82.4 | -63.2 | 0 | 0 | 0 | 112.6 | L80 K81 A88 | L80-F84 HydrophobicContact CD1-CD2 4.48Å; L80-F84 HydrophobicContact CD1-CE2 3.88Å; L80-F84 HydrophobicContact CD2-CD2 4.38Å; L80-F84 HydrophobicContact CD2-CE2 3.9Å; L80-F84 HydrophobicContact CG-CD2 3.83Å; L80-F84 HydrophobicContact CG-CE2 3.56Å; L80-F84 WeakPolarHBondContact O-CD2 3.43Å; L80-F84 PolarHBondContact O-N 3.29Å; K81-F84 PolarHBondContact O-N 3.44Å; F84-A88 VanDerWaalsContact O-CB 3.23Å; F84-A88 WeakPolarHBondContact O-CB 3.25Å; F84-A88 PolarHBondContact O-N 2.84Å |
| 85 | R | 90.6 | Very high | 91.7 | Very high | 147 Ų | 147 | 96.8 Ų | 96.8 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -49.5 | 176.6 | -172.1 | 175.4 | 79.7 | 140.4 | 4.3 | 111.5 | K81 E82 V83 A88 L89 | K81-R85 WeakPolarHBondContact O-CB 3.35Å; K81-R85 PolarHBondContact O-N 2.89Å; E82-R85 WeakPolarHBondContact O-CB 3.25Å; E82-R85 PolarHBondContact O-N 3.43Å; E82-R85 IonicContact OE1-CZ 3.24Å; E82-R85 VanDerWaalsContact OE1-CZ 3.24Å; E82-R85 IonicContact OE1-NE 3.04Å; E82-R85 PolarHBondContact OE1-NE 2.8Å; E82-R85 IonicContact OE1-NH2 2.68Å; E82-R85 PolarHBondContact OE1-NH2 3.04Å; E82-R85 IonicContact OE2-CZ 3.71Å; E82-R85 IonicContact OE2-NE 3.37Å; E82-R85 PolarHBondContact OE2-NE 3.36Å; E82-R85 IonicContact OE2-NH2 3.65Å; V83-R85 VanDerWaalsContact C-N 3.32Å; V83-R85 PolarHBondContact O-N 3.01Å; R85-A88 PolarHBondContact O-N 3.49Å; R85-L89 HydrophobicContact CG-CD1 4.44Å; R85-L89 WeakPolarHBondContact O-CG 3.45Å; R85-L89 PolarHBondContact O-N 3.09Å; R85-L89 VanDerWaalsContact O-N 3.11Å |
| 86 | L | 91.2 | Very high | 92 | Very high | 99 Ų | 99 | 102.9 Ų | 102.9 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 179.5 | -66.6 | 173 | 0 | 0 | 0 | 111.6 | E82 V83 L89 A90 | E82-L86 HydrophobicContact CG-CD1 4.35Å; E82-L86 WeakPolarHBondContact O-CG 3.42Å; E82-L86 PolarHBondContact O-N 3.44Å; V83-L86 PolarHBondContact O-N 3.31Å; L86-L89 PolarHBondContact O-N 2.69Å; L86-A90 PolarHBondContact O-N 2.88Å |
| 87 | G | 92.3 | Very high | 92.1 | Very high | 34 Ų | 34 | 99.7 Ų | 99.7 | 35% | 0.351 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V83 A90 L91 | V83-G87 PolarHBondContact O-N 2.91Å; G87-A90 PolarHBondContact O-N 3.45Å; G87-L91 WeakPolarHBondContact O-CG 3.42Å; G87-L91 PolarHBondContact O-N 2.92Å |
| 88 | A | 92.2 | Very high | 92.3 | Very high | 49 Ų | 49 | 104 Ų | 104 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F84 R85 A90 L91 I92 | F84-A88 VanDerWaalsContact O-CB 3.23Å; F84-A88 WeakPolarHBondContact O-CB 3.25Å; F84-A88 PolarHBondContact O-N 2.84Å; R85-A88 PolarHBondContact O-N 3.49Å; A88-A90 VanDerWaalsContact C-N 3.34Å; A88-A90 PolarHBondContact O-N 2.89Å; A88-L91 PolarHBondContact O-N 3.41Å; A88-I92 VanDerWaalsContact O-CG1 3.27Å; A88-I92 WeakPolarHBondContact O-CG1 3.32Å; A88-I92 PolarHBondContact O-N 3.44Å |
| 89 | L | 92.7 | Very high | 92.6 | Very high | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.5 | -74.5 | 167.5 | 0 | 0 | 0 | 111.7 | R85 L86 I92 T93 | R85-L89 HydrophobicContact CG-CD1 4.44Å; R85-L89 WeakPolarHBondContact O-CG 3.45Å; R85-L89 PolarHBondContact O-N 3.09Å; R85-L89 VanDerWaalsContact O-N 3.11Å; L86-L89 PolarHBondContact O-N 2.69Å; L89-I92 PolarHBondContact O-N 3.21Å; L89-T93 WeakPolarHBondContact O-CG2 3.48Å; L89-T93 PolarHBondContact O-N 2.92Å; L89-T93 PolarHBondContact O-OG1 2.86Å |
| 90 | A | 91.3 | Very high | 92.8 | Very high | 47 Ų | 47 | 97 Ų | 97 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L86 G87 A88 T93 I94 | L86-A90 PolarHBondContact O-N 2.88Å; G87-A90 PolarHBondContact O-N 3.45Å; A88-A90 VanDerWaalsContact C-N 3.34Å; A88-A90 PolarHBondContact O-N 2.89Å; A90-T93 WeakPolarHBondContact CA-OG1 3.36Å; A90-T93 PolarHBondContact O-N 3.41Å; A90-T93 PolarHBondContact O-OG1 2.89Å; A90-I94 WeakPolarHBondContact O-CD1 3.39Å; A90-I94 VanDerWaalsContact O-CG1 3.26Å; A90-I94 WeakPolarHBondContact O-CG1 3.31Å; A90-I94 PolarHBondContact O-N 2.8Å; A90-I94 VanDerWaalsContact O-N 3.07Å |
| 91 | L | 93.6 | Very high | 92.9 | Very high | 123 Ų | 123 | 95.4 Ų | 95.4 | 64% | 0.644 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.7 | -40.5 | 175.8 | -73.3 | 171 | 0 | 0 | 0 | 111.9 | G87 A88 T93 I94 A95 | G87-L91 WeakPolarHBondContact O-CG 3.42Å; G87-L91 PolarHBondContact O-N 2.92Å; A88-L91 PolarHBondContact O-N 3.41Å; L91-T93 VanDerWaalsContact C-N 3.35Å; L91-T93 PolarHBondContact O-N 3.44Å; L91-I94 PolarHBondContact O-N 2.9Å; L91-A95 VanDerWaalsContact O-CB 3.28Å; L91-A95 WeakPolarHBondContact O-CB 3.31Å; L91-A95 PolarHBondContact O-N 3.38Å |
| 92 | I | 94.2 | Very high | 93.1 | Very high | 109 Ų | 109 | 93 Ų | 93 | 56% | 0.559 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 177.2 | -68.2 | 164.2 | 0 | 0 | 0 | 110.9 | A88 L89 R96 | A88-I92 VanDerWaalsContact O-CG1 3.27Å; A88-I92 WeakPolarHBondContact O-CG1 3.32Å; A88-I92 PolarHBondContact O-N 3.44Å; L89-I92 PolarHBondContact O-N 3.21Å; I92-R96 VanDerWaalsContact O-CB 3.31Å; I92-R96 WeakPolarHBondContact O-CB 3.34Å; I92-R96 PolarHBondContact O-N 2.9Å |
| 93 | T | 94.3 | Very high | 93.3 | Very high | 91 Ų | 91 | 94.6 Ų | 94.6 | 56% | 0.558 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.2 | -42.3 | 179 | 53.7 | 0 | 0 | 0 | 0 | 112 | L89 A90 L91 R96 A97 | L89-T93 WeakPolarHBondContact O-CG2 3.48Å; L89-T93 PolarHBondContact O-N 2.92Å; L89-T93 PolarHBondContact O-OG1 2.86Å; A90-T93 WeakPolarHBondContact CA-OG1 3.36Å; A90-T93 PolarHBondContact O-N 3.41Å; A90-T93 PolarHBondContact O-OG1 2.89Å; L91-T93 VanDerWaalsContact C-N 3.35Å; L91-T93 PolarHBondContact O-N 3.44Å; T93-R96 PolarHBondContact O-N 3.46Å; T93-A97 WeakPolarHBondContact O-CB 3.47Å; T93-A97 PolarHBondContact O-N 3.34Å |
| 94 | I | 94.3 | Very high | 93.4 | Very high | 112 Ų | 112 | 93.8 Ų | 93.8 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -48 | 175.6 | -66.2 | 165.6 | 0 | 0 | 0 | 110.6 | A90 L91 R96 A97 F98 | A90-I94 WeakPolarHBondContact O-CD1 3.39Å; A90-I94 VanDerWaalsContact O-CG1 3.26Å; A90-I94 WeakPolarHBondContact O-CG1 3.31Å; A90-I94 PolarHBondContact O-N 2.8Å; A90-I94 VanDerWaalsContact O-N 3.07Å; L91-I94 PolarHBondContact O-N 2.9Å; I94-R96 VanDerWaalsContact C-N 3.29Å; I94-R96 PolarHBondContact O-N 3.49Å; I94-A97 PolarHBondContact O-N 3.5Å; I94-F98 WeakPolarHBondContact O-CB 3.29Å; I94-F98 PolarHBondContact O-N 3.09Å |
| 95 | A | 93.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 91.5 Ų | 91.5 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L91 F98 C99 | L91-A95 VanDerWaalsContact O-CB 3.28Å; L91-A95 WeakPolarHBondContact O-CB 3.31Å; L91-A95 PolarHBondContact O-N 3.38Å; A95-F98 PolarHBondContact O-N 3.49Å; A95-C99 WeakPolarHBondContact O-CB 3.2Å; A95-C99 PolarHBondContact O-N 3.28Å |
| 96 | R | 94.4 | Very high | 94 | Very high | 189 Ų | 189 | 88.2 Ų | 88.2 | 71% | 0.713 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 176.1 | -174.3 | 177.2 | -179.8 | 176.8 | 0.1 | 111.9 | I92 T93 I94 F98 C99 V100 | I92-R96 VanDerWaalsContact O-CB 3.31Å; I92-R96 WeakPolarHBondContact O-CB 3.34Å; I92-R96 PolarHBondContact O-N 2.9Å; T93-R96 PolarHBondContact O-N 3.46Å; I94-R96 VanDerWaalsContact C-N 3.29Å; I94-R96 PolarHBondContact O-N 3.49Å; R96-F98 VanDerWaalsContact C-N 3.33Å; R96-F98 PolarHBondContact O-N 2.88Å; R96-C99 PolarHBondContact O-N 3.44Å; R96-V100 WeakPolarHBondContact O-CG2 3.31Å; R96-V100 PolarHBondContact O-N 2.9Å |
| 97 | A | 91.8 | Very high | 94.2 | Very high | 64 Ų | 64 | 87.9 Ų | 87.9 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T93 I94 V100 A101 | T93-A97 WeakPolarHBondContact O-CB 3.47Å; T93-A97 PolarHBondContact O-N 3.34Å; I94-A97 PolarHBondContact O-N 3.5Å; A97-V100 PolarHBondContact O-N 3.44Å; A97-A101 WeakPolarHBondContact O-CB 3.31Å; A97-A101 PolarHBondContact O-N 2.92Å |
| 98 | F | 94.6 | Very high | 94.4 | Very high | 146 Ų | 146 | 91.5 Ų | 91.5 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -44.3 | 176 | -171.8 | -97 | 0 | 0 | 0 | 112.1 | I94 A95 R96 V100 A101 H102 | I94-F98 WeakPolarHBondContact O-CB 3.29Å; I94-F98 PolarHBondContact O-N 3.09Å; A95-F98 PolarHBondContact O-N 3.49Å; R96-F98 VanDerWaalsContact C-N 3.33Å; R96-F98 PolarHBondContact O-N 2.88Å; F98-V100 PolarHBondContact O-N 2.93Å; F98-A101 PolarHBondContact O-N 3.41Å; F98-H102 WeakPolarHBondContact O-CB 3.32Å; F98-H102 PolarHBondContact O-N 3.25Å |
| 99 | C | 96.1 | Very high | 94.5 | Very high | 69 Ų | 69 | 93.9 Ų | 93.9 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 177.4 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | A95 R96 H102 I103 | A95-C99 WeakPolarHBondContact O-CB 3.2Å; A95-C99 PolarHBondContact O-N 3.28Å; R96-C99 PolarHBondContact O-N 3.44Å; C99-H102 PolarHBondContact O-N 3.34Å; C99-I103 VanDerWaalsContact O-CG1 3.3Å; C99-I103 WeakPolarHBondContact O-CG1 3.36Å; C99-I103 PolarHBondContact O-N 3.31Å |
| 100 | V | 94.3 | Very high | 94.6 | Very high | 73 Ų | 73 | 94.4 Ų | 94.4 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 177.9 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | R96 A97 F98 H102 I103 N104 | R96-V100 WeakPolarHBondContact O-CG2 3.31Å; R96-V100 PolarHBondContact O-N 2.9Å; A97-V100 PolarHBondContact O-N 3.44Å; F98-V100 PolarHBondContact O-N 2.93Å; V100-H102 VanDerWaalsContact C-N 3.32Å; V100-H102 PolarHBondContact O-N 3.5Å; V100-I103 PolarHBondContact O-N 2.94Å; V100-N104 VanDerWaalsContact O-CG 3.3Å; V100-N104 PolarHBondContact O-N 3.22Å; V100-N104 PolarHBondContact O-ND2 2.93Å |
| 101 | A | 94.6 | Very high | 94.8 | Very high | 48 Ų | 48 | 96.5 Ų | 96.5 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A97 F98 N104 I105 | A97-A101 WeakPolarHBondContact O-CB 3.31Å; A97-A101 PolarHBondContact O-N 2.92Å; F98-A101 PolarHBondContact O-N 3.41Å; A101-N104 PolarHBondContact O-N 3.13Å; A101-I105 WeakPolarHBondContact O-CG1 3.43Å; A101-I105 PolarHBondContact O-N 3.43Å; A101-I105 VanDerWaalsContact O-N 3.08Å |
| 102 | H | 95.5 | Very high | 94.9 | Very high | 103 Ų | 103 | 96.2 Ų | 96.2 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | -179.6 | -164.1 | -133.5 | 0 | 0 | 0 | 112.3 | F98 C99 V100 N104 I105 I106 | F98-H102 WeakPolarHBondContact O-CB 3.32Å; F98-H102 PolarHBondContact O-N 3.25Å; C99-H102 PolarHBondContact O-N 3.34Å; V100-H102 VanDerWaalsContact C-N 3.32Å; V100-H102 PolarHBondContact O-N 3.5Å; H102-N104 VanDerWaalsContact C-N 3.35Å; H102-N104 PolarHBondContact O-N 3.46Å; H102-I105 PolarHBondContact O-N 2.86Å; H102-I106 VanDerWaalsContact O-CG1 3.32Å; H102-I106 WeakPolarHBondContact O-CG1 3.25Å; H102-I106 PolarHBondContact O-N 2.98Å |
| 103 | I | 94.9 | Very high | 94.8 | Very high | 82 Ų | 82 | 96.5 Ų | 96.5 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 174.4 | -68.9 | 165.8 | 0 | 0 | 0 | 111 | C99 V100 I105 I106 I107 | C99-I103 VanDerWaalsContact O-CG1 3.3Å; C99-I103 WeakPolarHBondContact O-CG1 3.36Å; C99-I103 PolarHBondContact O-N 3.31Å; V100-I103 PolarHBondContact O-N 2.94Å; I103-I105 VanDerWaalsContact C-N 3.34Å; I103-I105 PolarHBondContact O-N 3.27Å; I103-I106 PolarHBondContact O-N 3.27Å; I103-I107 HydrophobicContact CG2-CD1 3.78Å; I103-I107 HydrophobicContact CG2-CG1 4.4Å; I103-I107 WeakPolarHBondContact O-CG1 3.31Å; I103-I107 PolarHBondContact O-N 2.91Å |
| 104 | N | 95.2 | Very high | 94.7 | Very high | 84 Ų | 84 | 97.7 Ų | 97.7 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 179.1 | -71.8 | -19.1 | 0 | 0 | 0 | 112 | V100 A101 H102 I106 I107 I108 | V100-N104 VanDerWaalsContact O-CG 3.3Å; V100-N104 PolarHBondContact O-N 3.22Å; V100-N104 PolarHBondContact O-ND2 2.93Å; A101-N104 PolarHBondContact O-N 3.13Å; H102-N104 VanDerWaalsContact C-N 3.35Å; H102-N104 PolarHBondContact O-N 3.46Å; N104-I106 VanDerWaalsContact C-N 3.35Å; N104-I107 PolarHBondContact O-N 3.48Å; N104-I108 VanDerWaalsContact O-CG1 3.29Å; N104-I108 WeakPolarHBondContact O-CG1 3.3Å; N104-I108 PolarHBondContact O-N 2.99Å |
| 105 | I | 96.3 | Very high | 94.7 | Very high | 93 Ų | 93 | 99.5 Ų | 99.5 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 175.7 | -67.5 | 164.7 | 0 | 0 | 0 | 110.7 | A101 H102 I103 I107 I108 N109 | A101-I105 WeakPolarHBondContact O-CG1 3.43Å; A101-I105 PolarHBondContact O-N 3.43Å; A101-I105 VanDerWaalsContact O-N 3.08Å; H102-I105 PolarHBondContact O-N 2.86Å; I103-I105 VanDerWaalsContact C-N 3.34Å; I103-I105 PolarHBondContact O-N 3.27Å; I105-I107 PolarHBondContact O-N 3.45Å; I105-I108 PolarHBondContact O-N 3.44Å; I105-N109 PolarHBondContact O-N 3.07Å; I105-N109 PolarHBondContact O-ND2 3.46Å |
| 106 | I | 95.5 | Very high | 94.6 | Very high | 79 Ų | 79 | 101.1 Ų | 101.1 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 177.7 | -67.6 | 165.1 | 0 | 0 | 0 | 110.7 | H102 I103 N104 I108 N109 Q110 | H102-I106 VanDerWaalsContact O-CG1 3.32Å; H102-I106 WeakPolarHBondContact O-CG1 3.25Å; H102-I106 PolarHBondContact O-N 2.98Å; I103-I106 PolarHBondContact O-N 3.27Å; N104-I106 VanDerWaalsContact C-N 3.35Å; I106-I108 PolarHBondContact O-N 3.31Å; I106-N109 PolarHBondContact O-N 3.46Å; I106-Q110 HydrophobicContact CG2-CG 4.38Å; I106-Q110 VanDerWaalsContact O-CG 3.31Å; I106-Q110 WeakPolarHBondContact O-CG 3.43Å; I106-Q110 PolarHBondContact O-N 3.4Å |
| 107 | I | 96.2 | Very high | 94.3 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 179.3 | -68.1 | 168 | 0 | 0 | 0 | 110.9 | I103 N104 I105 N109 Q110 V111 | I103-I107 HydrophobicContact CG2-CD1 3.78Å; I103-I107 HydrophobicContact CG2-CG1 4.4Å; I103-I107 WeakPolarHBondContact O-CG1 3.31Å; I103-I107 PolarHBondContact O-N 2.91Å; N104-I107 PolarHBondContact O-N 3.48Å; I105-I107 PolarHBondContact O-N 3.45Å; I107-N109 VanDerWaalsContact C-N 3.33Å; I107-N109 PolarHBondContact O-N 3.3Å; I107-Q110 PolarHBondContact O-N 2.89Å; I107-V111 HydrophobicContact CG2-CG2 4.23Å; I107-V111 VanDerWaalsContact O-CG2 3.31Å; I107-V111 WeakPolarHBondContact O-CG2 3.26Å; I107-V111 PolarHBondContact O-N 3.39Å |
| 108 | I | 96.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 98.6 Ų | 98.6 | 57% | 0.569 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.2 | -46.1 | 178.3 | -69 | 164.9 | 0 | 0 | 0 | 110.5 | N104 I105 I106 Q110 V111 F112 | N104-I108 VanDerWaalsContact O-CG1 3.29Å; N104-I108 WeakPolarHBondContact O-CG1 3.3Å; N104-I108 PolarHBondContact O-N 2.99Å; I105-I108 PolarHBondContact O-N 3.44Å; I106-I108 PolarHBondContact O-N 3.31Å; I108-Q110 VanDerWaalsContact C-N 3.34Å; I108-Q110 PolarHBondContact O-N 2.83Å; I108-V111 PolarHBondContact O-N 3.02Å; I108-F112 WeakPolarHBondContact O-CB 3.45Å; I108-F112 PolarHBondContact O-N 3.03Å |
| 109 | N | 95.7 | Very high | 93.9 | Very high | 98 Ų | 98 | 95.2 Ų | 95.2 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 178.7 | -70.2 | -16.2 | 0 | 0 | 0 | 112.3 | I105 I106 I107 F113 | I105-N109 PolarHBondContact O-N 3.07Å; I105-N109 PolarHBondContact O-ND2 3.46Å; I106-N109 PolarHBondContact O-N 3.46Å; I107-N109 VanDerWaalsContact C-N 3.33Å; I107-N109 PolarHBondContact O-N 3.3Å; N109-F113 WeakPolarHBondContact O-CB 3.39Å; N109-F113 PolarHBondContact O-N 2.96Å |
| 110 | Q | 94.3 | Very high | 93.5 | Very high | 111 Ų | 111 | 96.8 Ų | 96.8 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 176.5 | -70 | -64.8 | -31.1 | 0 | 0 | 112.2 | I106 I107 I108 F113 L114 | I106-Q110 HydrophobicContact CG2-CG 4.38Å; I106-Q110 VanDerWaalsContact O-CG 3.31Å; I106-Q110 WeakPolarHBondContact O-CG 3.43Å; I106-Q110 PolarHBondContact O-N 3.4Å; I107-Q110 PolarHBondContact O-N 2.89Å; I108-Q110 VanDerWaalsContact C-N 3.34Å; I108-Q110 PolarHBondContact O-N 2.83Å; Q110-F113 PolarHBondContact O-N 3Å; Q110-L114 WeakPolarHBondContact O-CB 3.38Å; Q110-L114 WeakPolarHBondContact O-CG 3.29Å; Q110-L114 PolarHBondContact O-N 3.27Å |
| 111 | V | 95.5 | Very high | 93 | Very high | 91 Ų | 91 | 100.9 Ų | 100.9 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | I107 I108 L114 W115 | I107-V111 HydrophobicContact CG2-CG2 4.23Å; I107-V111 VanDerWaalsContact O-CG2 3.31Å; I107-V111 WeakPolarHBondContact O-CG2 3.26Å; I107-V111 PolarHBondContact O-N 3.39Å; I108-V111 PolarHBondContact O-N 3.02Å; V111-L114 PolarHBondContact O-N 3.32Å; V111-W115 WeakPolarHBondContact O-CB 3.3Å; V111-W115 PolarHBondContact O-N 3.3Å |
| 112 | F | 94.4 | Very high | 92.4 | Very high | 117 Ų | 117 | 104.8 Ų | 104.8 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.5 | -174.5 | -99.6 | 0 | 0 | 0 | 111.6 | I108 L114 W115 E116 | I108-F112 WeakPolarHBondContact O-CB 3.45Å; I108-F112 PolarHBondContact O-N 3.03Å; F112-L114 PolarHBondContact O-N 3.47Å; F112-W115 WeakPolarHBondContact O-CB 3.39Å; F112-W115 PolarHBondContact O-N 3.27Å; F112-E116 HydrophobicContact CD1-CG 4.37Å; F112-E116 VanDerWaalsContact CE1-CD 3.41Å; F112-E116 HydrophobicContact CE1-CG 4Å; F112-E116 WeakPolarHBondContact CE1-OE1 3.37Å; F112-E116 HydrophobicContact CZ-CG 4.23Å; F112-E116 WeakPolarHBondContact CZ-OE1 3.42Å; F112-E116 PolarHBondContact O-N 3.46Å |
| 113 | F | 93 | Very high | 91.7 | Very high | 115 Ų | 115 | 108.9 Ų | 108.9 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 176.4 | -177.5 | -100.8 | 0 | 0 | 0 | 113 | N109 Q110 W115 E116 M117 | N109-F113 WeakPolarHBondContact O-CB 3.39Å; N109-F113 PolarHBondContact O-N 2.96Å; Q110-F113 PolarHBondContact O-N 3Å; F113-W115 VanDerWaalsContact C-N 3.29Å; F113-W115 PolarHBondContact O-N 3.03Å; F113-E116 PolarHBondContact O-N 3.43Å; F113-M117 HydrophobicContact CD1-CG 4.36Å; F113-M117 HydrophobicContact CE1-CG 3.94Å; F113-M117 HydrophobicContact CE2-CG 4.44Å; F113-M117 HydrophobicContact CZ-CG 3.98Å; F113-M117 HydrophobicContact CZ-SD 4.31Å; F113-M117 WeakPolarHBondContact O-CG 3.48Å; F113-M117 PolarHBondContact O-N 3.16Å |
| 114 | L | 92.7 | Very high | 90.7 | Very high | 116 Ų | 116 | 114 Ų | 114 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.4 | -36.9 | 175.2 | -75.1 | 171.3 | 0 | 0 | 0 | 112 | Q110 V111 F112 F118 | Q110-L114 WeakPolarHBondContact O-CB 3.38Å; Q110-L114 WeakPolarHBondContact O-CG 3.29Å; Q110-L114 PolarHBondContact O-N 3.27Å; V111-L114 PolarHBondContact O-N 3.32Å; F112-L114 PolarHBondContact O-N 3.47Å; L114-F118 WeakPolarHBondContact O-CB 3.34Å; L114-F118 PolarHBondContact O-N 2.97Å |
| 115 | W | 94.8 | Very high | 90.5 | Very high | 149 Ų | 149 | 115.5 Ų | 115.5 | 56% | 0.564 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.8 | -49.3 | 174.7 | 179.5 | -91.8 | 0 | 0 | 0 | 111.7 | V111 F112 F113 M117 F118 E119 | V111-W115 WeakPolarHBondContact O-CB 3.3Å; V111-W115 PolarHBondContact O-N 3.3Å; F112-W115 WeakPolarHBondContact O-CB 3.39Å; F112-W115 PolarHBondContact O-N 3.27Å; F113-W115 VanDerWaalsContact C-N 3.29Å; F113-W115 PolarHBondContact O-N 3.03Å; W115-M117 VanDerWaalsContact C-N 3.32Å; W115-M117 PolarHBondContact O-N 3.06Å; W115-F118 WeakPolarHBondContact O-CB 3.41Å; W115-F118 PolarHBondContact O-N 3.38Å; W115-F118 VanDerWaalsContact O-N 3.08Å; W115-E119 PolarHBondContact NE1-OE1 2.86Å; W115-E119 PolarHBondContact O-N 3.37Å |
| 116 | E | 90.7 | Very high | 90.2 | Very high | 94 Ų | 94 | 116.7 Ų | 116.7 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.6 | -42.7 | 176.5 | -72.9 | -173.3 | 153 | 0 | 0 | 112.1 | F112 F113 F118 E119 L120 | F112-E116 HydrophobicContact CD1-CG 4.37Å; F112-E116 VanDerWaalsContact CE1-CD 3.41Å; F112-E116 HydrophobicContact CE1-CG 4Å; F112-E116 WeakPolarHBondContact CE1-OE1 3.37Å; F112-E116 HydrophobicContact CZ-CG 4.23Å; F112-E116 WeakPolarHBondContact CZ-OE1 3.42Å; F112-E116 PolarHBondContact O-N 3.46Å; F113-E116 PolarHBondContact O-N 3.43Å; E116-F118 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 2.89Å; E116-E119 PolarHBondContact O-N 2.93Å; E116-L120 WeakPolarHBondContact O-CB 3.39Å; E116-L120 PolarHBondContact O-N 3.29Å |
| 117 | M | 88.8 | Confident | 89.9 | Confident | 80 Ų | 80 | 118.8 Ų | 118.8 | 39% | 0.394 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.7 | -32.1 | 176.5 | -72.5 | -60.5 | -57 | 0 | 0 | 112.9 | F113 W115 K121 | F113-M117 HydrophobicContact CD1-CG 4.36Å; F113-M117 HydrophobicContact CE1-CG 3.94Å; F113-M117 HydrophobicContact CE2-CG 4.44Å; F113-M117 HydrophobicContact CZ-CG 3.98Å; F113-M117 HydrophobicContact CZ-SD 4.31Å; F113-M117 WeakPolarHBondContact O-CG 3.48Å; F113-M117 PolarHBondContact O-N 3.16Å; W115-M117 VanDerWaalsContact C-N 3.32Å; W115-M117 PolarHBondContact O-N 3.06Å; M117-K121 PolarHBondContact O-N 3.37Å |
| 118 | F | 91.2 | Very high | 89.5 | Confident | 120 Ų | 120 | 120.4 Ų | 120.4 | 53% | 0.526 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.8 | -46.6 | 174.1 | 177.8 | -98.6 | 0 | 0 | 0 | 111.4 | L114 W115 E116 L120 K121 L122 | L114-F118 WeakPolarHBondContact O-CB 3.34Å; L114-F118 PolarHBondContact O-N 2.97Å; W115-F118 WeakPolarHBondContact O-CB 3.41Å; W115-F118 PolarHBondContact O-N 3.38Å; W115-F118 VanDerWaalsContact O-N 3.08Å; E116-F118 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 2.89Å; F118-L120 VanDerWaalsContact C-N 3.32Å; F118-L120 PolarHBondContact O-N 3.32Å; F118-K121 PolarHBondContact O-N 3.28Å; F118-L122 PolarHBondContact O-N 3.5Å; F118-L122 VanDerWaalsContact O-N 3.13Å |
| 119 | E | 86.2 | Confident | 89.1 | Confident | 75 Ų | 75 | 121 Ų | 121 | 35% | 0.35 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -57.2 | -46.1 | 174.5 | -74.4 | -169.5 | 174 | 0 | 0 | 111 | W115 E116 K121 L122 Y123 | W115-E119 PolarHBondContact NE1-OE1 2.86Å; W115-E119 PolarHBondContact O-N 3.37Å; E116-E119 PolarHBondContact O-N 2.93Å; E119-K121 VanDerWaalsContact C-N 3.28Å; E119-K121 PolarHBondContact O-N 3.5Å; E119-L122 WeakPolarHBondContact O-CB 3.33Å; E119-L122 PolarHBondContact O-N 3.05Å; E119-Y123 HydrophobicContact CB-CD2 4.45Å; E119-Y123 HydrophobicContact CB-CE2 4.13Å; E119-Y123 WeakPolarHBondContact O-CD2 3.31Å; E119-Y123 PolarHBondContact O-N 3.46Å; E119-Y123 VanDerWaalsContact O-N 3.12Å |
| 120 | L | 87.9 | Confident | 88.6 | Confident | 103 Ų | 103 | 122.5 Ų | 122.5 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.1 | -38.4 | 179.2 | -166.3 | 75.2 | 0 | 0 | 0 | 112.6 | E116 F118 L122 L124 | E116-L120 WeakPolarHBondContact O-CB 3.39Å; E116-L120 PolarHBondContact O-N 3.29Å; F118-L120 VanDerWaalsContact C-N 3.32Å; F118-L120 PolarHBondContact O-N 3.32Å; L120-L122 VanDerWaalsContact C-N 3.33Å; L120-L124 HydrophobicContact CG-CD1 4.42Å; L120-L124 PolarHBondContact O-N 2.95Å |
| 121 | K | 83.6 | Confident | 88.2 | Confident | 158 Ų | 158 | 123.4 Ų | 123.4 | 69% | 0.687 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.1 | -22.7 | 175.6 | -78 | -173.4 | 179.7 | -176.5 | 0 | 114 | M117 F118 E119 | M117-K121 PolarHBondContact O-N 3.37Å; F118-K121 PolarHBondContact O-N 3.28Å; E119-K121 VanDerWaalsContact C-N 3.28Å; E119-K121 PolarHBondContact O-N 3.5Å |
| 122 | L | 81.7 | Confident | 87.7 | Confident | 130 Ų | 130 | 125.8 Ų | 125.8 | 68% | 0.681 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -81.7 | -30.2 | 177.4 | -166.2 | 75.8 | 0 | 0 | 0 | 111.7 | F118 E119 L120 | F118-L122 PolarHBondContact O-N 3.5Å; F118-L122 VanDerWaalsContact O-N 3.13Å; E119-L122 WeakPolarHBondContact O-CB 3.33Å; E119-L122 PolarHBondContact O-N 3.05Å; L120-L122 VanDerWaalsContact C-N 3.33Å |
| 123 | Y | 81.5 | Confident | 87.1 | Confident | 190 Ų | 190 | 126.6 Ų | 126.6 | 75% | 0.745 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -79.6 | -21.6 | 176.2 | -70.4 | -66.9 | 0 | 0 | 0 | 113.9 | E119 | E119-Y123 HydrophobicContact CB-CD2 4.45Å; E119-Y123 HydrophobicContact CB-CE2 4.13Å; E119-Y123 WeakPolarHBondContact O-CD2 3.31Å; E119-Y123 PolarHBondContact O-N 3.46Å; E119-Y123 VanDerWaalsContact O-N 3.12Å |
| 124 | L | 73.2 | Confident | 86.6 | Confident | 189 Ų | 189 | 127.6 Ų | 127.6 | 99% | 0.99 | 59% | 0.593 | S | S | * | * | trans | -85.9 | 0 | 173.3 | -90.7 | 157.4 | 0 | 0 | 0 | 111.3 | L120 | L120-L124 HydrophobicContact CG-CD1 4.42Å; L120-L124 PolarHBondContact O-N 2.95Å |
Retrieved 124 of 124 residues in 21.4 ms
(Link to these results)