| 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 | 63 | Low | 73.8 | Confident | 238 Ų | 238 | 130.6 Ų | 130.6 | 100% | 1.172 | 66% | 0.662 | S | S | * | * | 0 | 32.1 | 0 | -66.7 | -176.7 | 178.4 | 0 | 0 | 111.9 | |||||
| 2 | E | 68.8 | Low | 73.8 | Confident | 162 Ų | 162 | 124.8 Ų | 124.8 | 76% | 0.757 | 65% | 0.649 | S | S | * | * | trans | -93.2 | -18.9 | -174.4 | -80.2 | 174.7 | 111.1 | 0 | 0 | 115.2 | G4 Q5 | E2-G4 PolarHBondContact O-N 3.37Å; E2-Q5 PolarHBondContact O-N 3.34Å | ||
| 3 | G | 68.3 | Low | 73.9 | Confident | 59 Ų | 59 | 127.2 Ų | 127.2 | 61% | 0.608 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.4 | -22.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 4 | G | 77.6 | Confident | 73.7 | Confident | 49 Ų | 49 | 128.9 Ų | 128.9 | 51% | 0.505 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -76.1 | -29.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E2 R8 | E2-G4 PolarHBondContact O-N 3.37Å; G4-R8 WeakPolarHBondContact O-CG 3.48Å; G4-R8 PolarHBondContact O-N 3.18Å |
| 5 | Q | 74.3 | Confident | 73.1 | Confident | 143 Ų | 143 | 128.7 Ų | 128.7 | 67% | 0.668 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.4 | -45.1 | -179.2 | -72.7 | -170.7 | -19.3 | 0 | 0 | 111.3 | E2 L7 R8 E9 | E2-Q5 PolarHBondContact O-N 3.34Å; Q5-L7 VanDerWaalsContact C-N 3.25Å; Q5-L7 PolarHBondContact O-N 3.01Å; Q5-R8 PolarHBondContact O-N 3.25Å; Q5-E9 PolarHBondContact O-N 3.48Å |
| 6 | N | 77.7 | Confident | 72.3 | Confident | 95 Ų | 95 | 124.5 Ų | 124.5 | 51% | 0.508 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -56.2 | -38.9 | 174.4 | -96.3 | -60.4 | 0 | 0 | 0 | 112.6 | R8 E9 Q10 | N6-R8 VanDerWaalsContact C-N 3.35Å; N6-E9 PolarHBondContact O-N 2.86Å; N6-Q10 WeakPolarHBondContact O-CB 3.29Å; N6-Q10 VanDerWaalsContact O-CG 3.29Å; N6-Q10 WeakPolarHBondContact O-CG 3.34Å; N6-Q10 PolarHBondContact O-N 2.95Å |
| 7 | L | 76.2 | Confident | 71.9 | Confident | 98 Ų | 98 | 123.9 Ų | 123.9 | 51% | 0.513 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.9 | -32.2 | 177.8 | -128.1 | 78.4 | 0 | 0 | 0 | 112.7 | Q5 K11 | Q5-L7 VanDerWaalsContact C-N 3.25Å; Q5-L7 PolarHBondContact O-N 3.01Å; L7-K11 VanDerWaalsContact O-CB 3.32Å; L7-K11 WeakPolarHBondContact O-CB 3.25Å; L7-K11 VanDerWaalsContact O-CG 3.25Å; L7-K11 WeakPolarHBondContact O-CG 3.32Å; L7-K11 PolarHBondContact O-N 2.99Å |
| 8 | R | 78.3 | Confident | 71 | Confident | 201 Ų | 201 | 123.2 Ų | 123.2 | 76% | 0.758 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.2 | -40.8 | 175.5 | -76.5 | -176.8 | 171.8 | -148 | -1.2 | 111.1 | G4 Q5 N6 K11 A12 | G4-R8 WeakPolarHBondContact O-CG 3.48Å; G4-R8 PolarHBondContact O-N 3.18Å; Q5-R8 PolarHBondContact O-N 3.25Å; N6-R8 VanDerWaalsContact C-N 3.35Å; R8-K11 PolarHBondContact O-N 3.37Å; R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.37Å; R8-A12 PolarHBondContact O-N 3.41Å |
| 9 | E | 76.3 | Confident | 70.5 | Confident | 134 Ų | 134 | 123.4 Ų | 123.4 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.9 | -42.7 | 174.2 | -70.6 | -173.4 | 164.1 | 0 | 0 | 111.7 | Q5 N6 K11 A12 F13 | Q5-E9 PolarHBondContact O-N 3.48Å; N6-E9 PolarHBondContact O-N 2.86Å; E9-K11 VanDerWaalsContact C-N 3.32Å; E9-K11 PolarHBondContact O-N 2.92Å; E9-A12 PolarHBondContact O-N 2.84Å; E9-F13 VanDerWaalsContact O-CB 3.22Å; E9-F13 WeakPolarHBondContact O-CB 3.47Å; E9-F13 PolarHBondContact O-N 2.76Å |
| 10 | Q | 75 | Confident | 69.9 | Low | 121 Ų | 121 | 121.8 Ų | 121.8 | 57% | 0.565 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62 | -39.5 | 173.7 | -77.3 | -176.7 | 54.4 | 0 | 0 | 112.1 | N6 R14 | N6-Q10 WeakPolarHBondContact O-CB 3.29Å; N6-Q10 VanDerWaalsContact O-CG 3.29Å; N6-Q10 WeakPolarHBondContact O-CG 3.34Å; N6-Q10 PolarHBondContact O-N 2.95Å; Q10-R14 WeakPolarHBondContact O-CB 3.37Å; Q10-R14 PolarHBondContact O-N 3.41Å |
| 11 | K | 76.3 | Confident | 69.4 | Low | 137 Ų | 137 | 121.2 Ų | 121.2 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.5 | -39.7 | 175.3 | -78.1 | 179.7 | -179.5 | -173.3 | 0 | 112.2 | L7 R8 E9 R14 K15 | L7-K11 VanDerWaalsContact O-CB 3.32Å; L7-K11 WeakPolarHBondContact O-CB 3.25Å; L7-K11 VanDerWaalsContact O-CG 3.25Å; L7-K11 WeakPolarHBondContact O-CG 3.32Å; L7-K11 PolarHBondContact O-N 2.99Å; R8-K11 PolarHBondContact O-N 3.37Å; E9-K11 VanDerWaalsContact C-N 3.32Å; E9-K11 PolarHBondContact O-N 2.92Å; K11-R14 PolarHBondContact O-N 2.81Å; K11-K15 WeakPolarHBondContact O-CB 3.27Å; K11-K15 PolarHBondContact O-N 3.26Å |
| 12 | A | 73.8 | Confident | 69.3 | Low | 61 Ų | 61 | 112.7 Ų | 112.7 | 50% | 0.504 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.7 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R8 E9 K15 G16 | R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.37Å; R8-A12 PolarHBondContact O-N 3.41Å; E9-A12 PolarHBondContact O-N 2.84Å; A12-K15 WeakPolarHBondContact O-CB 3.22Å; A12-K15 PolarHBondContact O-N 3.28Å; A12-K15 VanDerWaalsContact O-N 3.16Å; A12-G16 PolarHBondContact O-N 2.67Å |
| 13 | F | 74.6 | Confident | 69 | Low | 156 Ų | 156 | 107.3 Ų | 107.3 | 68% | 0.684 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.4 | -50 | 170.8 | -176.3 | -103.6 | 0 | 0 | 0 | 109.8 | E9 K15 G16 I17 | E9-F13 VanDerWaalsContact O-CB 3.22Å; E9-F13 WeakPolarHBondContact O-CB 3.47Å; E9-F13 PolarHBondContact O-N 2.76Å; F13-K15 VanDerWaalsContact C-N 3.25Å; F13-K15 PolarHBondContact O-N 3.16Å; F13-G16 PolarHBondContact O-N 3.14Å; F13-G16 VanDerWaalsContact O-N 3.14Å; F13-I17 HydrophobicContact CD1-CD1 4.23Å; F13-I17 HydrophobicContact CE1-CD1 4.09Å; F13-I17 WeakPolarHBondContact O-CG1 3.19Å; F13-I17 PolarHBondContact O-N 2.85Å; F13-I17 VanDerWaalsContact O-N 3.13Å |
| 14 | R | 71.2 | Confident | 68.9 | Low | 150 Ų | 150 | 108.3 Ų | 108.3 | 57% | 0.566 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.7 | -34.4 | 174.8 | -113.1 | -140.2 | -69 | -172.5 | -3.7 | 113.7 | Q10 K11 I17 M18 | Q10-R14 WeakPolarHBondContact O-CB 3.37Å; Q10-R14 PolarHBondContact O-N 3.41Å; K11-R14 PolarHBondContact O-N 2.81Å; R14-I17 HydrophobicContact CG-CD1 4.16Å; R14-M18 WeakPolarHBondContact O-CB 3Å; R14-M18 WeakPolarHBondContact O-CG 3.38Å; R14-M18 PolarHBondContact O-N 2.86Å |
| 15 | K | 65.7 | Low | 68.4 | Low | 127 Ų | 127 | 108.9 Ų | 108.9 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.8 | -43.7 | 176.7 | -151.3 | 169.9 | -172.1 | -88.4 | 0 | 110.3 | K11 A12 F13 I17 M18 E19 | K11-K15 WeakPolarHBondContact O-CB 3.27Å; K11-K15 PolarHBondContact O-N 3.26Å; A12-K15 WeakPolarHBondContact O-CB 3.22Å; A12-K15 PolarHBondContact O-N 3.28Å; A12-K15 VanDerWaalsContact O-N 3.16Å; F13-K15 VanDerWaalsContact C-N 3.25Å; F13-K15 PolarHBondContact O-N 3.16Å; K15-I17 VanDerWaalsContact C-N 3.33Å; K15-I17 PolarHBondContact O-N 3.38Å; K15-M18 CarbonylContact O-C 3.43Å; K15-M18 WeakPolarHBondContact O-CA 3.21Å; K15-M18 PolarHBondContact O-N 3.37Å; K15-E19 HydrophobicContact CG-CG 4.25Å; K15-E19 IonicContact NZ-OE1 2.67Å; K15-E19 PolarHBondContact NZ-OE1 3.49Å; K15-E19 WeakPolarHBondContact O-CG 3.39Å; K15-E19 PolarHBondContact O-N 3.13Å; K15-E19 VanDerWaalsContact O-N 3.11Å |
| 16 | G | 59.9 | Low | 68.2 | Low | 61 Ų | 61 | 106.4 Ų | 106.4 | 63% | 0.629 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.2 | -33.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A12 F13 M18 | A12-G16 PolarHBondContact O-N 2.67Å; F13-G16 PolarHBondContact O-N 3.14Å; F13-G16 VanDerWaalsContact O-N 3.14Å; G16-M18 VanDerWaalsContact C-N 3.26Å; G16-M18 PolarHBondContact O-N 3.11Å |
| 17 | I | 65.1 | Low | 68.1 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 59% | 0.585 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -6.1 | 169.8 | 24.5 | 162.2 | 0 | 0 | 0 | 113.6 | F13 R14 K15 | F13-I17 HydrophobicContact CD1-CD1 4.23Å; F13-I17 HydrophobicContact CE1-CD1 4.09Å; F13-I17 WeakPolarHBondContact O-CG1 3.19Å; F13-I17 PolarHBondContact O-N 2.85Å; F13-I17 VanDerWaalsContact O-N 3.13Å; R14-I17 HydrophobicContact CG-CD1 4.16Å; K15-I17 VanDerWaalsContact C-N 3.33Å; K15-I17 PolarHBondContact O-N 3.38Å |
| 18 | M | 56.8 | Low | 68.2 | Low | 111 Ų | 111 | 106.9 Ų | 106.9 | 55% | 0.547 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.5 | 2.5 | -178.2 | -74.1 | -175.8 | 175.3 | 0 | 0 | 114.3 | R14 K15 G16 D20 | R14-M18 WeakPolarHBondContact O-CB 3Å; R14-M18 WeakPolarHBondContact O-CG 3.38Å; R14-M18 PolarHBondContact O-N 2.86Å; K15-M18 CarbonylContact O-C 3.43Å; K15-M18 WeakPolarHBondContact O-CA 3.21Å; K15-M18 PolarHBondContact O-N 3.37Å; G16-M18 VanDerWaalsContact C-N 3.26Å; G16-M18 PolarHBondContact O-N 3.11Å; M18-D20 PolarHBondContact O-N 3.39Å |
| 19 | E | 59.9 | Low | 68.1 | Low | 127 Ų | 127 | 103.5 Ų | 103.5 | 59% | 0.593 | 55% | 0.548 | S | S | * | . | trans | -98.3 | 57 | -178.2 | -60.3 | -143.5 | 161.2 | 0 | 0 | 112.6 | K15 | K15-E19 HydrophobicContact CG-CG 4.25Å; K15-E19 IonicContact NZ-OE1 2.67Å; K15-E19 PolarHBondContact NZ-OE1 3.49Å; K15-E19 WeakPolarHBondContact O-CG 3.39Å; K15-E19 PolarHBondContact O-N 3.13Å; K15-E19 VanDerWaalsContact O-N 3.11Å | ||
| 20 | D | 59.7 | Low | 68.1 | Low | 92 Ų | 92 | 104.5 Ų | 104.5 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | trans | -153.6 | 99.3 | 139.5 | -153.1 | -15.2 | 0 | 0 | 0 | 111.3 | M18 A22 S23 D24 | M18-D20 PolarHBondContact O-N 3.39Å; D20-A22 PolarHBondContact O-N 3.17Å; D20-A22 VanDerWaalsContact O-N 3.14Å; D20-S23 WeakPolarHBondContact O-CB 3.39Å; D20-S23 PolarHBondContact O-N 2.99Å; D20-D24 PolarHBondContact O-N 3.14Å; D20-D24 VanDerWaalsContact O-N 3.17Å | ||
| 21 | P | 58.4 | Low | 68.4 | Low | 109 Ų | 109 | 101.2 Ų | 101.2 | 71% | 0.708 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.9 | -20.7 | -178 | 25.5 | -33.8 | 0 | 0 | 0 | 113.3 | ||
| 22 | A | 62.4 | Low | 68.6 | Low | 59 Ų | 59 | 98 Ų | 98 | 49% | 0.488 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.7 | -30.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D20 S25 | D20-A22 PolarHBondContact O-N 3.17Å; D20-A22 VanDerWaalsContact O-N 3.14Å; A22-S25 PolarHBondContact O-OG 3.38Å |
| 23 | S | 62.4 | Low | 69 | Low | 50 Ų | 50 | 97.1 Ų | 97.1 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.9 | -41.8 | 174.6 | -176 | 0 | 0 | 0 | 0 | 111 | D20 S25 N26 I27 | D20-S23 WeakPolarHBondContact O-CB 3.39Å; D20-S23 PolarHBondContact O-N 2.99Å; S23-S25 VanDerWaalsContact C-N 3.28Å; S23-S25 PolarHBondContact O-N 2.89Å; S23-N26 PolarHBondContact O-N 3.49Å; S23-I27 WeakPolarHBondContact O-CG1 3.3Å; S23-I27 PolarHBondContact O-N 2.85Å; S23-I27 WeakPolarHBondContact OG-CD1 3.33Å |
| 24 | D | 65.5 | Low | 69.3 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 43% | 0.428 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.8 | -40.1 | 179.6 | -76 | -12 | 0 | 0 | 0 | 112.4 | D20 I27 L28 | D20-D24 PolarHBondContact O-N 3.14Å; D20-D24 VanDerWaalsContact O-N 3.17Å; D24-I27 PolarHBondContact O-N 3.05Å; D24-L28 VanDerWaalsContact O-CB 3.3Å; D24-L28 WeakPolarHBondContact O-CB 3.46Å; D24-L28 PolarHBondContact O-N 3.26Å |
| 25 | S | 67.8 | Low | 70 | Confident | 61 Ų | 61 | 89.9 Ų | 89.9 | 43% | 0.427 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | A22 S23 L28 M29 | A22-S25 PolarHBondContact O-OG 3.38Å; S23-S25 VanDerWaalsContact C-N 3.28Å; S23-S25 PolarHBondContact O-N 2.89Å; S25-L28 PolarHBondContact O-N 3.43Å; S25-M29 VanDerWaalsContact O-CG 3.27Å; S25-M29 WeakPolarHBondContact O-CG 3.32Å; S25-M29 PolarHBondContact O-N 3.41Å |
| 26 | N | 69.8 | Low | 70.8 | Confident | 91 Ų | 91 | 91.8 Ų | 91.8 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.7 | -41.7 | 178.2 | -70.6 | -24.8 | 0 | 0 | 0 | 110.9 | S23 L28 M29 Y30 | S23-N26 PolarHBondContact O-N 3.49Å; N26-L28 VanDerWaalsContact C-N 3.26Å; N26-L28 PolarHBondContact O-N 3.49Å; N26-M29 PolarHBondContact O-N 3.39Å; N26-Y30 HydrophobicContact CB-CD2 4.29Å; N26-Y30 HydrophobicContact CB-CE2 4.09Å; N26-Y30 WeakPolarHBondContact O-CB 3.45Å; N26-Y30 WeakPolarHBondContact O-CD2 3.27Å; N26-Y30 PolarHBondContact O-N 2.67Å |
| 27 | I | 74.9 | Confident | 71.9 | Confident | 96 Ų | 96 | 91 Ų | 91 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 174.1 | -67.6 | 168.1 | 0 | 0 | 0 | 110.1 | S23 D24 Y30 S31 | S23-I27 WeakPolarHBondContact O-CG1 3.3Å; S23-I27 PolarHBondContact O-N 2.85Å; S23-I27 WeakPolarHBondContact OG-CD1 3.33Å; D24-I27 PolarHBondContact O-N 3.05Å; I27-Y30 PolarHBondContact O-N 2.97Å; I27-S31 WeakPolarHBondContact O-CB 3.49Å; I27-S31 PolarHBondContact O-N 2.86Å; I27-S31 PolarHBondContact O-OG 2.86Å |
| 28 | L | 77.6 | Confident | 72.8 | Confident | 106 Ų | 106 | 88 Ų | 88 | 56% | 0.555 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.5 | -49.3 | 176 | -173.2 | 63.2 | 0 | 0 | 0 | 110.8 | D24 S25 N26 Y30 S31 D32 | D24-L28 VanDerWaalsContact O-CB 3.3Å; D24-L28 WeakPolarHBondContact O-CB 3.46Å; D24-L28 PolarHBondContact O-N 3.26Å; S25-L28 PolarHBondContact O-N 3.43Å; N26-L28 VanDerWaalsContact C-N 3.26Å; N26-L28 PolarHBondContact O-N 3.49Å; L28-Y30 PolarHBondContact O-N 3.03Å; L28-S31 PolarHBondContact O-N 3.48Å; L28-S31 VanDerWaalsContact O-N 3.11Å; L28-S31 PolarHBondContact O-OG 2.79Å; L28-D32 PolarHBondContact O-N 3.06Å |
| 29 | M | 76.6 | Confident | 74.1 | Confident | 130 Ų | 130 | 88.3 Ų | 88.3 | 64% | 0.64 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.9 | -44.6 | 176.4 | -70.2 | -62.4 | -65.7 | 0 | 0 | 112.8 | S25 N26 S31 D32 L33 | S25-M29 VanDerWaalsContact O-CG 3.27Å; S25-M29 WeakPolarHBondContact O-CG 3.32Å; S25-M29 PolarHBondContact O-N 3.41Å; N26-M29 PolarHBondContact O-N 3.39Å; M29-S31 VanDerWaalsContact C-N 3.31Å; M29-S31 PolarHBondContact O-N 3.46Å; M29-D32 PolarHBondContact O-N 3.2Å; M29-L33 WeakPolarHBondContact O-CB 3.49Å; M29-L33 PolarHBondContact O-N 2.99Å |
| 30 | Y | 77.6 | Confident | 75.2 | Confident | 156 Ų | 156 | 84.6 Ų | 84.6 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64 | -37.1 | 175.7 | -74.9 | -58.3 | 0 | 0 | 0 | 111.7 | N26 I27 L28 S34 | N26-Y30 HydrophobicContact CB-CD2 4.29Å; N26-Y30 HydrophobicContact CB-CE2 4.09Å; N26-Y30 WeakPolarHBondContact O-CB 3.45Å; N26-Y30 WeakPolarHBondContact O-CD2 3.27Å; N26-Y30 PolarHBondContact O-N 2.67Å; I27-Y30 PolarHBondContact O-N 2.97Å; L28-Y30 PolarHBondContact O-N 3.03Å; Y30-S34 VanDerWaalsContact O-CB 3.23Å; Y30-S34 WeakPolarHBondContact O-CB 3.23Å; Y30-S34 PolarHBondContact O-N 3.07Å; Y30-S34 PolarHBondContact O-OG 3.27Å |
| 31 | S | 79.9 | Confident | 76.2 | Confident | 51 Ų | 51 | 89.2 Ų | 89.2 | 36% | 0.357 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 177.5 | 77.6 | 0 | 0 | 0 | 0 | 111.9 | I27 L28 M29 S34 V35 | I27-S31 WeakPolarHBondContact O-CB 3.49Å; I27-S31 PolarHBondContact O-N 2.86Å; I27-S31 PolarHBondContact O-OG 2.86Å; L28-S31 PolarHBondContact O-N 3.48Å; L28-S31 VanDerWaalsContact O-N 3.11Å; L28-S31 PolarHBondContact O-OG 2.79Å; M29-S31 VanDerWaalsContact C-N 3.31Å; M29-S31 PolarHBondContact O-N 3.46Å; S31-S34 PolarHBondContact O-N 3.11Å; S31-V35 WeakPolarHBondContact O-CB 2.99Å; S31-V35 VanDerWaalsContact O-CG2 3.23Å; S31-V35 WeakPolarHBondContact O-CG2 3.47Å; S31-V35 PolarHBondContact O-N 3.42Å |
| 32 | D | 81.1 | Confident | 77.5 | Confident | 69 Ų | 69 | 91 Ų | 91 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 178.6 | -78.4 | -58.4 | 0 | 0 | 0 | 112.1 | L28 M29 V35 R36 | L28-D32 PolarHBondContact O-N 3.06Å; M29-D32 PolarHBondContact O-N 3.2Å; D32-V35 PolarHBondContact O-N 3.49Å; D32-R36 WeakPolarHBondContact O-CG 3.23Å; D32-R36 PolarHBondContact O-N 3.01Å |
| 33 | L | 81.7 | Confident | 78.4 | Confident | 44 Ų | 44 | 95 Ų | 95 | 23% | 0.23 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 178 | -177.5 | 58.1 | 0 | 0 | 0 | 111.1 | M29 V35 R36 L37 L85 | M29-L33 WeakPolarHBondContact O-CB 3.49Å; M29-L33 PolarHBondContact O-N 2.99Å; L33-V35 PolarHBondContact O-N 3.45Å; L33-R36 PolarHBondContact O-N 2.65Å; L33-L37 HydrophobicContact CD1-CD1 3.92Å; L33-L37 HydrophobicContact CD1-CG 4.45Å; L33-L37 HydrophobicContact CG-CD1 3.8Å; L33-L37 WeakPolarHBondContact O-CD1 3.35Å; L33-L37 WeakPolarHBondContact O-CG 3.33Å; L33-L37 PolarHBondContact O-N 3.32Å; L33-L85 HydrophobicContact CD2-CD2 3.69Å; L33-L85 HydrophobicContact CG-CD2 4.38Å |
| 34 | S | 80.7 | Confident | 79.5 | Confident | 72 Ų | 72 | 94.9 Ų | 94.9 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 179.4 | -60 | 0 | 0 | 0 | 0 | 112.3 | Y30 S31 A38 | Y30-S34 VanDerWaalsContact O-CB 3.23Å; Y30-S34 WeakPolarHBondContact O-CB 3.23Å; Y30-S34 PolarHBondContact O-N 3.07Å; Y30-S34 PolarHBondContact O-OG 3.27Å; S31-S34 PolarHBondContact O-N 3.11Å; S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 3.08Å |
| 35 | V | 86 | Confident | 80.2 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | S31 D32 L33 L37 A38 F39 | S31-V35 WeakPolarHBondContact O-CB 2.99Å; S31-V35 VanDerWaalsContact O-CG2 3.23Å; S31-V35 WeakPolarHBondContact O-CG2 3.47Å; S31-V35 PolarHBondContact O-N 3.42Å; D32-V35 PolarHBondContact O-N 3.49Å; L33-V35 PolarHBondContact O-N 3.45Å; V35-L37 PolarHBondContact O-N 3.46Å; V35-A38 PolarHBondContact O-N 3.02Å; V35-F39 HydrophobicContact CG1-CD2 3.88Å; V35-F39 HydrophobicContact CG1-CE2 3.86Å; V35-F39 WeakPolarHBondContact O-CD2 3.47Å; V35-F39 PolarHBondContact O-N 3.02Å; V35-F39 VanDerWaalsContact O-N 3.08Å |
| 36 | R | 83.3 | Confident | 80.9 | Confident | 166 Ų | 166 | 94.5 Ų | 94.5 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.2 | -47 | 178.4 | -71.8 | 176.4 | -163.2 | -179 | 7.3 | 112.1 | D32 L33 A38 F39 I40 | D32-R36 WeakPolarHBondContact O-CG 3.23Å; D32-R36 PolarHBondContact O-N 3.01Å; L33-R36 PolarHBondContact O-N 2.65Å; R36-A38 VanDerWaalsContact C-N 3.34Å; R36-A38 PolarHBondContact O-N 3.09Å; R36-F39 PolarHBondContact O-N 3.41Å; R36-I40 WeakPolarHBondContact O-CG1 3.1Å; R36-I40 PolarHBondContact O-N 3.36Å; R36-I40 VanDerWaalsContact O-N 3.08Å |
| 37 | L | 82.7 | Confident | 81.4 | Confident | 46 Ų | 46 | 93.1 Ų | 93.1 | 24% | 0.241 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 176.7 | -78.5 | 155.1 | 0 | 0 | 0 | 112 | L33 V35 F39 I40 R41 Y81 L85 | L33-L37 HydrophobicContact CD1-CD1 3.92Å; L33-L37 HydrophobicContact CD1-CG 4.45Å; L33-L37 HydrophobicContact CG-CD1 3.8Å; L33-L37 WeakPolarHBondContact O-CD1 3.35Å; L33-L37 WeakPolarHBondContact O-CG 3.33Å; L33-L37 PolarHBondContact O-N 3.32Å; V35-L37 PolarHBondContact O-N 3.46Å; L37-F39 VanDerWaalsContact C-N 3.31Å; L37-F39 PolarHBondContact O-N 3.27Å; L37-I40 PolarHBondContact O-N 3.4Å; L37-R41 WeakPolarHBondContact O-CB 3.32Å; L37-R41 PolarHBondContact O-N 3.14Å; L37-Y81 HydrophobicContact CD2-CD1 4.42Å; L37-Y81 HydrophobicContact CD2-CG 4.23Å; L37-L85 HydrophobicContact CD1-CD1 4Å; L37-L85 HydrophobicContact CD1-CD2 4.2Å; L37-L85 HydrophobicContact CD2-CD1 4.28Å |
| 38 | A | 84.5 | Confident | 81.8 | Confident | 50 Ų | 50 | 91.3 Ų | 91.3 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | S34 V35 R36 K42 | S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 3.08Å; V35-A38 PolarHBondContact O-N 3.02Å; R36-A38 VanDerWaalsContact C-N 3.34Å; R36-A38 PolarHBondContact O-N 3.09Å; A38-K42 WeakPolarHBondContact O-CG 3.42Å; A38-K42 PolarHBondContact O-N 3.35Å |
| 39 | F | 84.5 | Confident | 82 | Confident | 117 Ų | 117 | 92.1 Ų | 92.1 | 51% | 0.513 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.3 | -52.3 | 174.1 | -91.3 | -78.7 | 0 | 0 | 0 | 111.5 | V35 R36 L37 R41 K42 Y43 | V35-F39 HydrophobicContact CG1-CD2 3.88Å; V35-F39 HydrophobicContact CG1-CE2 3.86Å; V35-F39 WeakPolarHBondContact O-CD2 3.47Å; V35-F39 PolarHBondContact O-N 3.02Å; V35-F39 VanDerWaalsContact O-N 3.08Å; R36-F39 PolarHBondContact O-N 3.41Å; L37-F39 VanDerWaalsContact C-N 3.31Å; L37-F39 PolarHBondContact O-N 3.27Å; F39-R41 VanDerWaalsContact C-N 3.31Å; F39-R41 PolarHBondContact O-N 3.32Å; F39-K42 WeakPolarHBondContact O-CB 3.36Å; F39-K42 PolarHBondContact O-N 3.45Å; F39-K42 VanDerWaalsContact O-N 3.09Å; F39-Y43 HydrophobicContact CB-CE2 4.47Å; F39-Y43 HydrophobicContact CD1-CE2 4.09Å; F39-Y43 WeakPolarHBondContact O-CD2 3.4Å; F39-Y43 PolarHBondContact O-N 2.93Å; F39-Y43 VanDerWaalsContact O-N 3.14Å |
| 40 | I | 81.5 | Confident | 82 | Confident | 49 Ų | 49 | 92.5 Ų | 92.5 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | -178.1 | -64.1 | 171.1 | 0 | 0 | 0 | 111 | R36 L37 K42 Y43 F44 Y81 | R36-I40 WeakPolarHBondContact O-CG1 3.1Å; R36-I40 PolarHBondContact O-N 3.36Å; R36-I40 VanDerWaalsContact O-N 3.08Å; L37-I40 PolarHBondContact O-N 3.4Å; I40-K42 VanDerWaalsContact C-N 3.28Å; I40-K42 PolarHBondContact O-N 3.02Å; I40-Y43 PolarHBondContact O-N 3.47Å; I40-F44 PolarHBondContact O-N 3.45Å; I40-Y81 HydrophobicContact CD1-CD2 4.26Å; I40-Y81 HydrophobicContact CD1-CE1 4.25Å; I40-Y81 HydrophobicContact CD1-CE2 3.39Å; I40-Y81 VanDerWaalsContact CD1-OH 3.28Å; I40-Y81 WeakPolarHBondContact CD1-OH 3.38Å; I40-Y81 HydrophobicContact CG2-CE2 4.43Å |
| 41 | R | 81 | Confident | 81.9 | Confident | 190 Ų | 190 | 87.4 Ų | 87.4 | 72% | 0.717 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.7 | -37.7 | 176.8 | -167.7 | 179.9 | 101.1 | 164.3 | 5.3 | 112.7 | L37 F39 A45 | L37-R41 WeakPolarHBondContact O-CB 3.32Å; L37-R41 PolarHBondContact O-N 3.14Å; F39-R41 VanDerWaalsContact C-N 3.31Å; F39-R41 PolarHBondContact O-N 3.32Å; R41-A45 WeakPolarHBondContact O-CB 3.28Å; R41-A45 PolarHBondContact O-N 3.08Å |
| 42 | K | 85.1 | Confident | 81.5 | Confident | 147 Ų | 147 | 90.7 Ų | 90.7 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.4 | -44.6 | 177.1 | -75.2 | -179.8 | 179.9 | -171.5 | 0 | 111.1 | A38 F39 I40 A45 L46 | A38-K42 WeakPolarHBondContact O-CG 3.42Å; A38-K42 PolarHBondContact O-N 3.35Å; F39-K42 WeakPolarHBondContact O-CB 3.36Å; F39-K42 PolarHBondContact O-N 3.45Å; F39-K42 VanDerWaalsContact O-N 3.09Å; I40-K42 VanDerWaalsContact C-N 3.28Å; I40-K42 PolarHBondContact O-N 3.02Å; K42-A45 PolarHBondContact O-N 3.36Å; K42-L46 VanDerWaalsContact O-CG 3.27Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 3.49Å |
| 43 | Y | 83 | Confident | 80.7 | Confident | 143 Ų | 143 | 89.1 Ų | 89.1 | 56% | 0.561 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.5 | -49.8 | 175.5 | -70.8 | -69.8 | 0 | 0 | 0 | 111.3 | F39 I40 A45 L46 D47 | F39-Y43 HydrophobicContact CB-CE2 4.47Å; F39-Y43 HydrophobicContact CD1-CE2 4.09Å; F39-Y43 WeakPolarHBondContact O-CD2 3.4Å; F39-Y43 PolarHBondContact O-N 2.93Å; F39-Y43 VanDerWaalsContact O-N 3.14Å; I40-Y43 PolarHBondContact O-N 3.47Å; Y43-A45 VanDerWaalsContact C-N 3.31Å; Y43-A45 PolarHBondContact O-N 3.31Å; Y43-L46 CarbonylContact O-C 3.6Å; Y43-L46 WeakPolarHBondContact O-CA 3.35Å; Y43-L46 WeakPolarHBondContact O-CB 3.31Å; Y43-L46 PolarHBondContact O-N 3.45Å; Y43-D47 PolarHBondContact O-N 3.32Å; Y43-D47 VanDerWaalsContact O-OD2 3.11Å |
| 44 | F | 83.7 | Confident | 79.6 | Confident | 46 Ų | 46 | 93.6 Ų | 93.6 | 20% | 0.202 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -54.9 | -44 | 176 | 174.7 | -114.6 | 0 | 0 | 0 | 113.4 | I40 L46 D47 L48 D74 I75 L78 | I40-F44 PolarHBondContact O-N 3.45Å; F44-L46 VanDerWaalsContact C-N 3.29Å; F44-L46 PolarHBondContact O-N 3.29Å; F44-D47 PolarHBondContact O-N 3.18Å; F44-L48 WeakPolarHBondContact O-CB 3.36Å; F44-L48 PolarHBondContact O-N 3.13Å; F44-D74 HydrophobicContact CD2-CB 3.56Å; F44-D74 HydrophobicContact CE2-CB 3.87Å; F44-I75 HydrophobicContact CE2-CG1 4.32Å; F44-I75 HydrophobicContact CZ-CG1 4.45Å; F44-L78 HydrophobicContact CE1-CD2 4.29Å |
| 45 | A | 82.1 | Confident | 78.5 | Confident | 36 Ų | 36 | 102.2 Ų | 102.2 | 30% | 0.298 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -33 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | R41 K42 Y43 Q49 | R41-A45 WeakPolarHBondContact O-CB 3.28Å; R41-A45 PolarHBondContact O-N 3.08Å; K42-A45 PolarHBondContact O-N 3.36Å; Y43-A45 VanDerWaalsContact C-N 3.31Å; Y43-A45 PolarHBondContact O-N 3.31Å; A45-Q49 VanDerWaalsContact O-CB 3.29Å; A45-Q49 WeakPolarHBondContact O-CB 3.36Å; A45-Q49 WeakPolarHBondContact O-CG 3.36Å; A45-Q49 PolarHBondContact O-N 2.95Å; A45-Q49 PolarHBondContact O-NE2 2.83Å |
| 46 | L | 82.4 | Confident | 77.1 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71 | -42.6 | 175 | -70.1 | 170.5 | 0 | 0 | 0 | 111.3 | K42 Y43 F44 L48 Q49 L50 | K42-L46 VanDerWaalsContact O-CG 3.27Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 3.49Å; Y43-L46 CarbonylContact O-C 3.6Å; Y43-L46 WeakPolarHBondContact O-CA 3.35Å; Y43-L46 WeakPolarHBondContact O-CB 3.31Å; Y43-L46 PolarHBondContact O-N 3.45Å; F44-L46 VanDerWaalsContact C-N 3.29Å; F44-L46 PolarHBondContact O-N 3.29Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.25Å; L46-Q49 PolarHBondContact O-N 2.9Å; L46-L50 WeakPolarHBondContact O-CB 3.38Å; L46-L50 PolarHBondContact O-N 3.19Å |
| 47 | D | 80.2 | Confident | 75.8 | Confident | 62 Ų | 62 | 108.3 Ų | 108.3 | 33% | 0.332 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.4 | -65.5 | -41.1 | 0 | 0 | 0 | 110.5 | Y43 F44 Q49 L50 I51 | Y43-D47 PolarHBondContact O-N 3.32Å; Y43-D47 VanDerWaalsContact O-OD2 3.11Å; F44-D47 PolarHBondContact O-N 3.18Å; D47-Q49 PolarHBondContact O-N 3.24Å; D47-L50 PolarHBondContact O-N 3.05Å; D47-I51 WeakPolarHBondContact O-CB 3.13Å; D47-I51 WeakPolarHBondContact O-CD1 3.27Å; D47-I51 VanDerWaalsContact O-CG1 3.22Å; D47-I51 WeakPolarHBondContact O-CG1 3.48Å; D47-I51 PolarHBondContact O-N 3.41Å |
| 48 | L | 82 | Confident | 74.7 | Confident | 58 Ų | 58 | 111.2 Ų | 111.2 | 30% | 0.304 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.9 | -178 | 64 | 0 | 0 | 0 | 112 | F44 L46 I51 M52 L71 | F44-L48 WeakPolarHBondContact O-CB 3.36Å; F44-L48 PolarHBondContact O-N 3.13Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.25Å; L48-I51 PolarHBondContact O-N 3.31Å; L48-M52 HydrophobicContact CD1-CE 4.34Å; L48-M52 HydrophobicContact CD1-CG 4.34Å; L48-M52 HydrophobicContact CD1-SD 4.28Å; L48-M52 HydrophobicContact CD2-CE 4.17Å; L48-M52 HydrophobicContact CG-CE 3.69Å; L48-M52 HydrophobicContact CG-SD 4.26Å; L48-M52 WeakPolarHBondContact O-CB 3.43Å; L48-M52 VanDerWaalsContact O-CG 3.29Å; L48-M52 WeakPolarHBondContact O-CG 3.37Å; L48-M52 PolarHBondContact O-N 3.03Å; L48-L71 HydrophobicContact CB-CD1 4.49Å; L48-L71 HydrophobicContact CD1-CD1 3.58Å |
| 49 | Q | 81.9 | Confident | 73.7 | Confident | 122 Ų | 122 | 112.9 Ų | 112.9 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.4 | -37.9 | 178.3 | -80.4 | 172 | 42.9 | 0 | 0 | 112.8 | A45 L46 D47 M52 G53 | A45-Q49 VanDerWaalsContact O-CB 3.29Å; A45-Q49 WeakPolarHBondContact O-CB 3.36Å; A45-Q49 WeakPolarHBondContact O-CG 3.36Å; A45-Q49 PolarHBondContact O-N 2.95Å; A45-Q49 PolarHBondContact O-NE2 2.83Å; L46-Q49 PolarHBondContact O-N 2.9Å; D47-Q49 PolarHBondContact O-N 3.24Å; Q49-M52 HydrophobicContact CG-CE 4.47Å; Q49-M52 PolarHBondContact O-N 3.01Å; Q49-G53 PolarHBondContact O-N 3.32Å; Q49-G53 VanDerWaalsContact O-N 3.11Å |
| 50 | L | 77 | Confident | 73.3 | Confident | 138 Ų | 138 | 110.3 Ų | 110.3 | 72% | 0.723 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.4 | -42.9 | 177.1 | -174.6 | 65.1 | 0 | 0 | 0 | 110.6 | L46 D47 G53 | L46-L50 WeakPolarHBondContact O-CB 3.38Å; L46-L50 PolarHBondContact O-N 3.19Å; D47-L50 PolarHBondContact O-N 3.05Å; L50-G53 WeakPolarHBondContact O-CA 3.38Å; L50-G53 PolarHBondContact O-N 3.38Å; L50-G53 VanDerWaalsContact O-N 3.07Å |
| 51 | I | 74.4 | Confident | 73.2 | Confident | 49 Ų | 49 | 111.9 Ų | 111.9 | 25% | 0.251 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.4 | -39.4 | 176.3 | -66.6 | 166.1 | 0 | 0 | 0 | 111.5 | D47 L48 G53 A67 L71 | D47-I51 WeakPolarHBondContact O-CB 3.13Å; D47-I51 WeakPolarHBondContact O-CD1 3.27Å; D47-I51 VanDerWaalsContact O-CG1 3.22Å; D47-I51 WeakPolarHBondContact O-CG1 3.48Å; D47-I51 PolarHBondContact O-N 3.41Å; L48-I51 PolarHBondContact O-N 3.31Å; I51-G53 PolarHBondContact O-N 2.89Å; I51-A67 HydrophobicContact CB-CB 4.44Å; I51-A67 HydrophobicContact CD1-CB 4.08Å; I51-A67 HydrophobicContact CG1-CB 3.88Å; I51-A67 HydrophobicContact CG2-CB 3.77Å; I51-L71 HydrophobicContact CD1-CB 4.38Å; I51-L71 HydrophobicContact CD1-CD1 4.36Å |
| 52 | M | 72.2 | Confident | 73.3 | Confident | 121 Ų | 121 | 110 Ų | 110 | 60% | 0.596 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -4.2 | 173.5 | -69.6 | -173 | -58 | 0 | 0 | 113.3 | L48 Q49 N54 | L48-M52 HydrophobicContact CD1-CE 4.34Å; L48-M52 HydrophobicContact CD1-CG 4.34Å; L48-M52 HydrophobicContact CD1-SD 4.28Å; L48-M52 HydrophobicContact CD2-CE 4.17Å; L48-M52 HydrophobicContact CG-CE 3.69Å; L48-M52 HydrophobicContact CG-SD 4.26Å; L48-M52 WeakPolarHBondContact O-CB 3.43Å; L48-M52 VanDerWaalsContact O-CG 3.29Å; L48-M52 WeakPolarHBondContact O-CG 3.37Å; L48-M52 PolarHBondContact O-N 3.03Å; Q49-M52 HydrophobicContact CG-CE 4.47Å; Q49-M52 PolarHBondContact O-N 3.01Å; M52-N54 PolarHBondContact O-N 2.89Å |
| 53 | G | 64.7 | Low | 73.1 | Confident | 36 Ų | 36 | 106.8 Ų | 106.8 | 37% | 0.371 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -33.9 | 97.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q49 L50 I51 R55 | Q49-G53 PolarHBondContact O-N 3.32Å; Q49-G53 VanDerWaalsContact O-N 3.11Å; L50-G53 WeakPolarHBondContact O-CA 3.38Å; L50-G53 PolarHBondContact O-N 3.38Å; L50-G53 VanDerWaalsContact O-N 3.07Å; I51-G53 PolarHBondContact O-N 2.89Å; G53-R55 VanDerWaalsContact C-N 3.33Å; G53-R55 PolarHBondContact O-N 3.4Å |
| 54 | N | 59.1 | Low | 73.1 | Confident | 138 Ų | 138 | 107.4 Ų | 107.4 | 74% | 0.738 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | 41.5 | 41.8 | 155.3 | -161.9 | 32.3 | 0 | 0 | 0 | 117.5 | M52 K56 | M52-N54 PolarHBondContact O-N 2.89Å; N54-K56 WeakPolarHBondContact O-CA 3.15Å; N54-K56 VanDerWaalsContact O-CB 3.31Å; N54-K56 WeakPolarHBondContact O-CB 3.29Å; N54-K56 PolarHBondContact O-N 2.91Å |
| 55 | R | 57.8 | Low | 73.2 | Confident | 253 Ų | 253 | 109.7 Ų | 109.7 | 96% | 0.955 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | 47.4 | 4.8 | 161.1 | -65.5 | -93.7 | -86.4 | -151.7 | -4.9 | 118.2 | G53 | G53-R55 VanDerWaalsContact C-N 3.33Å; G53-R55 PolarHBondContact O-N 3.4Å |
| 56 | K | 55.7 | Low | 73.4 | Confident | 178 Ų | 178 | 114.9 Ų | 114.9 | 77% | 0.774 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -18.7 | -165.2 | -108.9 | -171 | 174.3 | -174.2 | 0 | 113.4 | N54 | N54-K56 WeakPolarHBondContact O-CA 3.15Å; N54-K56 VanDerWaalsContact O-CB 3.31Å; N54-K56 WeakPolarHBondContact O-CB 3.29Å; N54-K56 PolarHBondContact O-N 2.91Å |
| 57 | Y | 56.5 | Low | 73.5 | Confident | 197 Ų | 197 | 110.6 Ų | 110.6 | 77% | 0.773 | 56% | 0.563 | S | S | * | * | trans | -96.2 | 111.1 | 171.4 | -67.2 | -81.8 | 0 | 0 | 0 | 106.6 | M59 | Y57-M59 PolarHBondContact O-N 3.49Š| ||
| 58 | A | 59.4 | Low | 73.9 | Confident | 108 Ų | 108 | 110 Ų | 110 | 89% | 0.893 | 56% | 0.564 | S | S | * | * | trans | -59.7 | 86.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | S60 | A58-S60 PolarHBondContact O-N 3.22Š| ||
| 59 | M | 63.8 | Low | 74.2 | Confident | 84 Ų | 84 | 111 Ų | 111 | 41% | 0.414 | 57% | 0.573 | S | S | . | * | trans | -59.2 | 131.6 | 179.7 | -73.8 | 179.8 | 93.5 | 0 | 0 | 106.9 | Y57 D63 | Y57-M59 PolarHBondContact O-N 3.49Å; M59-D63 HydrophobicContact CB-CB 4.07Å; M59-D63 HydrophobicContact CE-CB 4.03Å | ||
| 60 | S | 75.3 | Confident | 74.4 | Confident | 64 Ų | 64 | 107.4 Ų | 107.4 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | trans | -56.9 | 152.9 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | A58 E62 D63 Y64 | A58-S60 PolarHBondContact O-N 3.22Å; S60-E62 PolarHBondContact O-N 3.38Å; S60-E62 VanDerWaalsContact O-N 3.09Å; S60-D63 PolarHBondContact N-OD2 2.88Å; S60-D63 PolarHBondContact O-N 3.37Å; S60-Y64 PolarHBondContact O-N 3.22Å; S60-Y64 VanDerWaalsContact O-N 3.09Å | ||
| 61 | A | 79.4 | Confident | 74.9 | Confident | 81 Ų | 81 | 103 Ų | 103 | 67% | 0.669 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -53.5 | -33.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y64 V65 | A61-Y64 PolarHBondContact O-N 3.04Å; A61-V65 WeakPolarHBondContact O-CG2 3.43Å; A61-V65 PolarHBondContact O-N 3.05Å; A61-V65 VanDerWaalsContact O-N 3.13Å |
| 62 | E | 82.8 | Confident | 75.7 | Confident | 151 Ų | 151 | 107 Ų | 107 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.4 | -46.4 | 175.3 | -173.3 | 173.4 | -174.9 | 0 | 0 | 112.9 | S60 Y64 V65 F66 | S60-E62 PolarHBondContact O-N 3.38Å; S60-E62 VanDerWaalsContact O-N 3.09Å; E62-Y64 PolarHBondContact O-N 2.87Å; E62-V65 PolarHBondContact O-N 3.31Å; E62-F66 WeakPolarHBondContact O-CB 3.35Å; E62-F66 PolarHBondContact O-N 3.02Å |
| 63 | D | 81.1 | Confident | 76.6 | Confident | 80 Ų | 80 | 104.8 Ų | 104.8 | 43% | 0.428 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 177.2 | -62.9 | -31.5 | 0 | 0 | 0 | 111 | M59 S60 A67 | M59-D63 HydrophobicContact CB-CB 4.07Å; M59-D63 HydrophobicContact CE-CB 4.03Å; S60-D63 PolarHBondContact N-OD2 2.88Å; S60-D63 PolarHBondContact O-N 3.37Å; D63-A67 WeakPolarHBondContact O-CB 3.49Å; D63-A67 PolarHBondContact O-N 2.99Å |
| 64 | Y | 83.1 | Confident | 77.7 | Confident | 156 Ų | 156 | 104.9 Ų | 104.9 | 61% | 0.612 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.6 | -42 | 178 | -167.5 | -88.7 | 0 | 0 | 0 | 112 | S60 A61 E62 S68 | S60-Y64 PolarHBondContact O-N 3.22Å; S60-Y64 VanDerWaalsContact O-N 3.09Å; A61-Y64 PolarHBondContact O-N 3.04Å; E62-Y64 PolarHBondContact O-N 2.87Å; Y64-S68 WeakPolarHBondContact CE1-OG 3.22Å; Y64-S68 VanDerWaalsContact O-CB 3.28Å; Y64-S68 WeakPolarHBondContact O-CB 3.46Å; Y64-S68 PolarHBondContact O-N 2.81Å; Y64-S68 PolarHBondContact O-OG 3.26Å |
| 65 | V | 86.6 | Confident | 79.1 | Confident | 94 Ų | 94 | 102.1 Ų | 102.1 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | A61 E62 S68 T69 | A61-V65 WeakPolarHBondContact O-CG2 3.43Å; A61-V65 PolarHBondContact O-N 3.05Å; A61-V65 VanDerWaalsContact O-N 3.13Å; E62-V65 PolarHBondContact O-N 3.31Å; V65-S68 PolarHBondContact O-N 3.45Å; V65-T69 PolarHBondContact O-N 3.43Å; V65-T69 PolarHBondContact O-OG1 3.43Å |
| 66 | F | 85.9 | Confident | 80.7 | Confident | 145 Ų | 145 | 92.7 Ų | 92.7 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.9 | -50.7 | 175.8 | -177 | -102.1 | 0 | 0 | 0 | 111.8 | E62 S68 T69 C70 | E62-F66 WeakPolarHBondContact O-CB 3.35Å; E62-F66 PolarHBondContact O-N 3.02Å; F66-S68 VanDerWaalsContact C-N 3.32Å; F66-S68 PolarHBondContact O-N 3.2Å; F66-T69 WeakPolarHBondContact O-CB 3.43Å; F66-T69 PolarHBondContact O-N 2.95Å; F66-C70 PolarHBondContact O-N 3.37Å; F66-C70 PolarHBondContact O-SG 2.97Å |
| 67 | A | 85.3 | Confident | 82.2 | Confident | 8 Ų | 8 | 87.3 Ų | 87.3 | 7% | 0.066 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I51 D63 T69 C70 L71 | I51-A67 HydrophobicContact CB-CB 4.44Å; I51-A67 HydrophobicContact CD1-CB 4.08Å; I51-A67 HydrophobicContact CG1-CB 3.88Å; I51-A67 HydrophobicContact CG2-CB 3.77Å; D63-A67 WeakPolarHBondContact O-CB 3.49Å; D63-A67 PolarHBondContact O-N 2.99Å; A67-T69 VanDerWaalsContact C-N 3.28Å; A67-T69 PolarHBondContact O-N 3.25Å; A67-C70 PolarHBondContact O-N 3.34Å; A67-L71 WeakPolarHBondContact O-CB 3.36Å; A67-L71 PolarHBondContact O-N 2.92Å |
| 68 | S | 87.1 | Confident | 83.6 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 35% | 0.35 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 175.8 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | Y64 V65 F66 F72 | Y64-S68 WeakPolarHBondContact CE1-OG 3.22Å; Y64-S68 VanDerWaalsContact O-CB 3.28Å; Y64-S68 WeakPolarHBondContact O-CB 3.46Å; Y64-S68 PolarHBondContact O-N 2.81Å; Y64-S68 PolarHBondContact O-OG 3.26Å; V65-S68 PolarHBondContact O-N 3.45Å; F66-S68 VanDerWaalsContact C-N 3.32Å; F66-S68 PolarHBondContact O-N 3.2Å; S68-F72 WeakPolarHBondContact O-CB 3.49Å; S68-F72 PolarHBondContact O-N 2.98Å |
| 69 | T | 89.6 | Confident | 85 | Confident | 79 Ų | 79 | 81.1 Ų | 81.1 | 49% | 0.485 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70 | -44.2 | 177.8 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | V65 F66 A67 F72 V73 | V65-T69 PolarHBondContact O-N 3.43Å; V65-T69 PolarHBondContact O-OG1 3.43Å; F66-T69 WeakPolarHBondContact O-CB 3.43Å; F66-T69 PolarHBondContact O-N 2.95Å; A67-T69 VanDerWaalsContact C-N 3.28Å; A67-T69 PolarHBondContact O-N 3.25Å; T69-F72 WeakPolarHBondContact O-CB 3.26Å; T69-F72 PolarHBondContact O-N 3.29Å; T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 2.99Å; T69-V73 VanDerWaalsContact O-N 3.11Å |
| 70 | C | 86.5 | Confident | 86.1 | Confident | 45 Ų | 45 | 82.7 Ų | 82.7 | 30% | 0.304 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 173.4 | -67.4 | 0 | 0 | 0 | 0 | 111.2 | F66 A67 F72 V73 D74 | F66-C70 PolarHBondContact O-N 3.37Å; F66-C70 PolarHBondContact O-SG 2.97Å; A67-C70 PolarHBondContact O-N 3.34Å; C70-F72 VanDerWaalsContact C-N 3.27Å; C70-F72 PolarHBondContact O-N 3.43Å; C70-V73 PolarHBondContact O-N 3.5Å; C70-V73 VanDerWaalsContact O-N 3.13Å; C70-D74 PolarHBondContact O-N 3.45Å; C70-D74 VanDerWaalsContact O-N 3.08Å |
| 71 | L | 87 | Confident | 86.5 | Confident | 45 Ų | 45 | 83.6 Ų | 83.6 | 24% | 0.236 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.4 | -40.6 | 176.9 | -169.5 | 96.2 | 0 | 0 | 0 | 112 | L48 I51 A67 D74 I75 | L48-L71 HydrophobicContact CB-CD1 4.49Å; L48-L71 HydrophobicContact CD1-CD1 3.58Å; I51-L71 HydrophobicContact CD1-CB 4.38Å; I51-L71 HydrophobicContact CD1-CD1 4.36Å; A67-L71 WeakPolarHBondContact O-CB 3.36Å; A67-L71 PolarHBondContact O-N 2.92Å; L71-D74 PolarHBondContact O-N 3.08Å; L71-I75 HydrophobicContact CD2-CD1 3.83Å; L71-I75 HydrophobicContact CG-CD1 4Å; L71-I75 VanDerWaalsContact O-CG1 3.26Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 2.96Å |
| 72 | F | 91 | Very high | 86.8 | Confident | 135 Ų | 135 | 83.5 Ų | 83.5 | 59% | 0.592 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 178.2 | 176.7 | -100.8 | 0 | 0 | 0 | 111.8 | S68 T69 C70 D74 I75 V76 | S68-F72 WeakPolarHBondContact O-CB 3.49Å; S68-F72 PolarHBondContact O-N 2.98Å; T69-F72 WeakPolarHBondContact O-CB 3.26Å; T69-F72 PolarHBondContact O-N 3.29Å; C70-F72 VanDerWaalsContact C-N 3.27Å; C70-F72 PolarHBondContact O-N 3.43Å; F72-D74 VanDerWaalsContact C-N 3.31Å; F72-D74 PolarHBondContact O-N 3.48Å; F72-I75 PolarHBondContact O-N 3.13Å; F72-V76 HydrophobicContact CD1-CG2 4.34Å; F72-V76 HydrophobicContact CE1-CG2 3.87Å; F72-V76 HydrophobicContact CE2-CG2 4.12Å; F72-V76 HydrophobicContact CZ-CG2 3.76Å; F72-V76 WeakPolarHBondContact O-CG2 3.49Å; F72-V76 PolarHBondContact O-N 3.11Å |
| 73 | V | 90.7 | Very high | 87 | Confident | 74 Ų | 74 | 80.3 Ų | 80.3 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 176.7 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | T69 C70 I75 V76 I77 | T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 2.99Å; T69-V73 VanDerWaalsContact O-N 3.11Å; C70-V73 PolarHBondContact O-N 3.5Å; C70-V73 VanDerWaalsContact O-N 3.13Å; V73-I75 VanDerWaalsContact C-N 3.34Å; V73-I75 PolarHBondContact O-N 2.93Å; V73-V76 PolarHBondContact O-N 3.33Å; V73-I77 HydrophobicContact CG1-CD1 3.85Å; V73-I77 WeakPolarHBondContact O-CG1 3.37Å; V73-I77 PolarHBondContact O-N 3.02Å |
| 74 | D | 87.7 | Confident | 87.2 | Confident | 38 Ų | 38 | 79.9 Ų | 79.9 | 20% | 0.203 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 178.8 | -62.3 | -36 | 0 | 0 | 0 | 112.5 | F44 C70 L71 F72 I77 L78 | F44-D74 HydrophobicContact CD2-CB 3.56Å; F44-D74 HydrophobicContact CE2-CB 3.87Å; C70-D74 PolarHBondContact O-N 3.45Å; C70-D74 VanDerWaalsContact O-N 3.08Å; L71-D74 PolarHBondContact O-N 3.08Å; F72-D74 VanDerWaalsContact C-N 3.31Å; F72-D74 PolarHBondContact O-N 3.48Å; D74-I77 PolarHBondContact O-N 3.28Å; D74-L78 WeakPolarHBondContact O-CB 3.44Å; D74-L78 PolarHBondContact O-N 3.26Å |
| 75 | I | 88.4 | Confident | 87 | Confident | 79 Ų | 79 | 75.4 Ų | 75.4 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.2 | -70 | 165.1 | 0 | 0 | 0 | 111 | F44 L71 F72 V73 I77 L78 F79 | F44-I75 HydrophobicContact CE2-CG1 4.32Å; F44-I75 HydrophobicContact CZ-CG1 4.45Å; L71-I75 HydrophobicContact CD2-CD1 3.83Å; L71-I75 HydrophobicContact CG-CD1 4Å; L71-I75 VanDerWaalsContact O-CG1 3.26Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 2.96Å; F72-I75 PolarHBondContact O-N 3.13Å; V73-I75 VanDerWaalsContact C-N 3.34Å; V73-I75 PolarHBondContact O-N 2.93Å; I75-I77 VanDerWaalsContact C-N 3.35Å; I75-L78 PolarHBondContact O-N 3.11Å; I75-F79 WeakPolarHBondContact O-CB 3.41Å; I75-F79 PolarHBondContact O-N 3.07Å |
| 76 | V | 91.6 | Very high | 87 | Confident | 55 Ų | 55 | 75.6 Ų | 75.6 | 33% | 0.333 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | F72 V73 F79 Q80 | F72-V76 HydrophobicContact CD1-CG2 4.34Å; F72-V76 HydrophobicContact CE1-CG2 3.87Å; F72-V76 HydrophobicContact CE2-CG2 4.12Å; F72-V76 HydrophobicContact CZ-CG2 3.76Å; F72-V76 WeakPolarHBondContact O-CG2 3.49Å; F72-V76 PolarHBondContact O-N 3.11Å; V73-V76 PolarHBondContact O-N 3.33Å; V76-F79 WeakPolarHBondContact O-CB 3.41Å; V76-F79 PolarHBondContact O-N 3.23Å; V76-Q80 PolarHBondContact O-N 3.44Å |
| 77 | I | 87.1 | Confident | 86.7 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 33% | 0.333 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 177.1 | -68.6 | 168.4 | 0 | 0 | 0 | 110.4 | V73 D74 I75 F79 Q80 Y81 | V73-I77 HydrophobicContact CG1-CD1 3.85Å; V73-I77 WeakPolarHBondContact O-CG1 3.37Å; V73-I77 PolarHBondContact O-N 3.02Å; D74-I77 PolarHBondContact O-N 3.28Å; I75-I77 VanDerWaalsContact C-N 3.35Å; I77-F79 VanDerWaalsContact C-N 3.29Å; I77-F79 PolarHBondContact O-N 2.91Å; I77-Q80 PolarHBondContact O-N 3.41Å; I77-Y81 HydrophobicContact CG2-CD2 3.94Å; I77-Y81 HydrophobicContact CG2-CE2 3.47Å; I77-Y81 VanDerWaalsContact CG2-CE2 3.47Å; I77-Y81 WeakPolarHBondContact O-CD2 3.17Å; I77-Y81 PolarHBondContact O-N 3.19Å |
| 78 | L | 86 | Confident | 85.9 | Confident | 58 Ų | 58 | 75.5 Ų | 75.5 | 30% | 0.304 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 175.9 | -179.1 | 63.5 | 0 | 0 | 0 | 111.8 | F44 D74 I75 Q80 Y81 I82 | F44-L78 HydrophobicContact CE1-CD2 4.29Å; D74-L78 WeakPolarHBondContact O-CB 3.44Å; D74-L78 PolarHBondContact O-N 3.26Å; I75-L78 PolarHBondContact O-N 3.11Å; L78-Q80 PolarHBondContact O-N 3.38Å; L78-Y81 PolarHBondContact O-N 2.91Å; L78-I82 HydrophobicContact CD1-CD1 4.49Å; L78-I82 HydrophobicContact CG-CD1 4.07Å; L78-I82 WeakPolarHBondContact O-CG1 3.35Å; L78-I82 PolarHBondContact O-N 3.47Å |
| 79 | F | 88.9 | Confident | 84.6 | Confident | 117 Ų | 117 | 80.1 Ų | 80.1 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 177.4 | -179.1 | -108.5 | 0 | 0 | 0 | 112.1 | I75 V76 I77 Y81 I82 L83 | I75-F79 WeakPolarHBondContact O-CB 3.41Å; I75-F79 PolarHBondContact O-N 3.07Å; V76-F79 WeakPolarHBondContact O-CB 3.41Å; V76-F79 PolarHBondContact O-N 3.23Å; I77-F79 VanDerWaalsContact C-N 3.29Å; I77-F79 PolarHBondContact O-N 2.91Å; F79-Y81 VanDerWaalsContact C-N 3.32Å; F79-Y81 PolarHBondContact O-N 3.36Å; F79-I82 PolarHBondContact O-N 2.85Å; F79-L83 HydrophobicContact CD1-CD1 3.82Å; F79-L83 HydrophobicContact CD1-CG 4.24Å; F79-L83 HydrophobicContact CE1-CD1 3.32Å; F79-L83 HydrophobicContact CE1-CD2 4.39Å; F79-L83 HydrophobicContact CE1-CG 3.88Å; F79-L83 HydrophobicContact CE2-CD2 4.39Å; F79-L83 HydrophobicContact CE2-CG 4.32Å; F79-L83 HydrophobicContact CZ-CD1 3.78Å; F79-L83 HydrophobicContact CZ-CD2 3.98Å; F79-L83 HydrophobicContact CZ-CG 3.91Å; F79-L83 WeakPolarHBondContact O-CG 3.48Å; F79-L83 PolarHBondContact O-N 3.05Å |
| 80 | Q | 86.9 | Confident | 83.3 | Confident | 118 Ų | 118 | 85 Ų | 85 | 55% | 0.551 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.7 | -41.8 | 175 | -72.7 | -178.9 | -10.3 | 0 | 0 | 112.1 | V76 I77 L78 L83 T84 | V76-Q80 PolarHBondContact O-N 3.44Å; I77-Q80 PolarHBondContact O-N 3.41Å; L78-Q80 PolarHBondContact O-N 3.38Å; Q80-L83 WeakPolarHBondContact O-CB 3.29Å; Q80-L83 PolarHBondContact O-N 3.31Å; Q80-T84 PolarHBondContact O-N 2.81Å; Q80-T84 PolarHBondContact O-OG1 2.97Å; Q80-T84 VanDerWaalsContact O-OG1 3.13Å |
| 81 | Y | 83.6 | Confident | 81.4 | Confident | 83 Ų | 83 | 94.3 Ų | 94.3 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 175.8 | -75.1 | -63.3 | 0 | 0 | 0 | 112.9 | L37 I40 I77 L78 F79 L83 T84 L85 | L37-Y81 HydrophobicContact CD2-CD1 4.42Å; L37-Y81 HydrophobicContact CD2-CG 4.23Å; I40-Y81 HydrophobicContact CD1-CD2 4.26Å; I40-Y81 HydrophobicContact CD1-CE1 4.25Å; I40-Y81 HydrophobicContact CD1-CE2 3.39Å; I40-Y81 VanDerWaalsContact CD1-OH 3.28Å; I40-Y81 WeakPolarHBondContact CD1-OH 3.38Å; I40-Y81 HydrophobicContact CG2-CE2 4.43Å; I77-Y81 HydrophobicContact CG2-CD2 3.94Å; I77-Y81 HydrophobicContact CG2-CE2 3.47Å; I77-Y81 VanDerWaalsContact CG2-CE2 3.47Å; I77-Y81 WeakPolarHBondContact O-CD2 3.17Å; I77-Y81 PolarHBondContact O-N 3.19Å; L78-Y81 PolarHBondContact O-N 2.91Å; F79-Y81 VanDerWaalsContact C-N 3.32Å; F79-Y81 PolarHBondContact O-N 3.36Å; Y81-L83 VanDerWaalsContact C-N 3.29Å; Y81-L83 PolarHBondContact O-N 3.41Å; Y81-T84 PolarHBondContact O-N 2.9Å; Y81-L85 WeakPolarHBondContact O-CG 3.28Å; Y81-L85 PolarHBondContact O-N 2.59Å |
| 82 | I | 84.9 | Confident | 81.1 | Confident | 79 Ų | 79 | 96.8 Ų | 96.8 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 174.9 | -66.1 | 165.9 | 0 | 0 | 0 | 110.2 | L78 F79 L85 L86 | L78-I82 HydrophobicContact CD1-CD1 4.49Å; L78-I82 HydrophobicContact CG-CD1 4.07Å; L78-I82 WeakPolarHBondContact O-CG1 3.35Å; L78-I82 PolarHBondContact O-N 3.47Å; F79-I82 PolarHBondContact O-N 2.85Å; I82-L85 PolarHBondContact O-N 2.94Å; I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CG 4.46Å; I82-L86 WeakPolarHBondContact O-CG 3.31Å; I82-L86 PolarHBondContact O-N 2.77Å |
| 83 | L | 87.9 | Confident | 80.6 | Confident | 84 Ų | 84 | 94.8 Ų | 94.8 | 44% | 0.44 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 175.9 | -74.6 | -179 | 0 | 0 | 0 | 112.9 | F79 Q80 Y81 L85 L86 G87 | F79-L83 HydrophobicContact CD1-CD1 3.82Å; F79-L83 HydrophobicContact CD1-CG 4.24Å; F79-L83 HydrophobicContact CE1-CD1 3.32Å; F79-L83 HydrophobicContact CE1-CD2 4.39Å; F79-L83 HydrophobicContact CE1-CG 3.88Å; F79-L83 HydrophobicContact CE2-CD2 4.39Å; F79-L83 HydrophobicContact CE2-CG 4.32Å; F79-L83 HydrophobicContact CZ-CD1 3.78Å; F79-L83 HydrophobicContact CZ-CD2 3.98Å; F79-L83 HydrophobicContact CZ-CG 3.91Å; F79-L83 WeakPolarHBondContact O-CG 3.48Å; F79-L83 PolarHBondContact O-N 3.05Å; Q80-L83 WeakPolarHBondContact O-CB 3.29Å; Q80-L83 PolarHBondContact O-N 3.31Å; Y81-L83 VanDerWaalsContact C-N 3.29Å; Y81-L83 PolarHBondContact O-N 3.41Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 2.95Å; L83-L86 PolarHBondContact O-N 3.35Å; L83-G87 PolarHBondContact O-N 3.45Å |
| 84 | T | 84.5 | Confident | 80.1 | Confident | 70 Ų | 70 | 95.9 Ų | 95.9 | 43% | 0.429 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 174.9 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | Q80 Y81 L86 G87 E88 | Q80-T84 PolarHBondContact O-N 2.81Å; Q80-T84 PolarHBondContact O-OG1 2.97Å; Q80-T84 VanDerWaalsContact O-OG1 3.13Å; Y81-T84 PolarHBondContact O-N 2.9Å; T84-L86 PolarHBondContact O-N 3.2Å; T84-G87 PolarHBondContact O-N 3.09Å; T84-E88 WeakPolarHBondContact O-CG 3.49Å; T84-E88 PolarHBondContact O-N 3.02Å |
| 85 | L | 80.6 | Confident | 79.6 | Confident | 63 Ų | 63 | 99.4 Ų | 99.4 | 33% | 0.33 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 176.8 | -69.9 | 169.8 | 0 | 0 | 0 | 112.4 | L33 L37 Y81 I82 L83 M89 | L33-L85 HydrophobicContact CD2-CD2 3.69Å; L33-L85 HydrophobicContact CG-CD2 4.38Å; L37-L85 HydrophobicContact CD1-CD1 4Å; L37-L85 HydrophobicContact CD1-CD2 4.2Å; L37-L85 HydrophobicContact CD2-CD1 4.28Å; Y81-L85 WeakPolarHBondContact O-CG 3.28Å; Y81-L85 PolarHBondContact O-N 2.59Å; I82-L85 PolarHBondContact O-N 2.94Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 2.95Å; L85-M89 VanDerWaalsContact O-CG 3.31Å; L85-M89 WeakPolarHBondContact O-CG 3.44Å |
| 86 | L | 84.8 | Confident | 79.1 | Confident | 97 Ų | 97 | 100.6 Ų | 100.6 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.9 | -37.8 | 177.2 | -72.6 | 167.8 | 0 | 0 | 0 | 112.5 | I82 L83 T84 M89 | I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CG 4.46Å; I82-L86 WeakPolarHBondContact O-CG 3.31Å; I82-L86 PolarHBondContact O-N 2.77Å; L83-L86 PolarHBondContact O-N 3.35Å; T84-L86 PolarHBondContact O-N 3.2Å; L86-M89 HydrophobicContact CD2-SD 4.28Å; L86-M89 WeakPolarHBondContact O-CB 3.35Å; L86-M89 PolarHBondContact O-N 3.13Å |
| 87 | G | 81 | Confident | 78.2 | Confident | 47 Ų | 47 | 103.7 Ų | 103.7 | 49% | 0.485 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -33.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L83 T84 M89 | L83-G87 PolarHBondContact O-N 3.45Å; T84-G87 PolarHBondContact O-N 3.09Å; G87-M89 VanDerWaalsContact C-N 3.26Å; G87-M89 PolarHBondContact O-N 2.73Å |
| 88 | E | 69.1 | Low | 77.6 | Confident | 104 Ų | 104 | 106.4 Ų | 106.4 | 49% | 0.486 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.9 | -19.6 | 174.2 | -73 | 175.8 | -179.5 | 0 | 0 | 112.9 | T84 E90 | T84-E88 WeakPolarHBondContact O-CG 3.49Å; T84-E88 PolarHBondContact O-N 3.02Å; E88-E90 VanDerWaalsContact C-N 3.26Å; E88-E90 PolarHBondContact O-N 3.09Å |
| 89 | M | 59.2 | Low | 77 | Confident | 147 Ų | 147 | 110.2 Ų | 110.2 | 72% | 0.724 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -12.3 | 177.9 | -69.7 | 173 | 62 | 0 | 0 | 114 | L85 L86 G87 | L85-M89 VanDerWaalsContact O-CG 3.31Å; L85-M89 WeakPolarHBondContact O-CG 3.44Å; L86-M89 HydrophobicContact CD2-SD 4.28Å; L86-M89 WeakPolarHBondContact O-CB 3.35Å; L86-M89 PolarHBondContact O-N 3.13Å; G87-M89 VanDerWaalsContact C-N 3.26Å; G87-M89 PolarHBondContact O-N 2.73Å |
| 90 | E | 61.1 | Low | 76 | Confident | 182 Ų | 182 | 109.6 Ų | 109.6 | 85% | 0.85 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -0.4 | -175.8 | -72.2 | -107.4 | 141.9 | 0 | 0 | 114.4 | E88 | E88-E90 VanDerWaalsContact C-N 3.26Å; E88-E90 PolarHBondContact O-N 3.09Å |
| 91 | Q | 48 | Very low | 75 | Confident | 241 Ų | 241 | 108.8 Ų | 108.8 | 100% | 1.126 | 56% | 0.555 | S | S | * | * | trans | -108.1 | 0 | 176.8 | -64.6 | -166.4 | -57 | 0 | 0 | 112.4 |
Retrieved 91 of 91 residues in 285.2 ms
(Link to these results)