| 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 | 37.8 | Very low | 48.5 | Very low | 250 Ų | 250 | 175.8 Ų | 175.8 | 100% | 1.232 | 85% | 0.849 | S | S | * | * | 0 | 124 | 0 | -147.2 | 149.7 | 173.8 | 0 | 0 | 107.5 | |||||
| 2 | L | 46.6 | Very low | 48.4 | Very low | 164 Ų | 164 | 176 Ų | 176 | 86% | 0.859 | 85% | 0.847 | S | S | * | * | trans | -71.4 | 144.7 | -171.9 | -69.4 | 143.2 | 0 | 0 | 0 | 111.7 | ||||
| 3 | L | 46.5 | Very low | 47.7 | Very low | 160 Ų | 160 | 173.5 Ų | 173.5 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | -161.7 | 113.2 | 108 | -147.2 | 73.7 | 0 | 0 | 0 | 110.7 | |||||
| 4 | G | 56 | Low | 48.8 | Very low | 67 Ų | 67 | 176.4 Ų | 176.4 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | trans | -75.7 | 139.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | F | 42.8 | Very low | 48.4 | Very low | 174 Ų | 174 | 174.3 Ų | 174.3 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | -116.2 | 89.6 | 160.6 | -141.9 | -95.5 | 0 | 0 | 0 | 108.6 | R7 | F5-R7 PolarHBondContact O-N 3.04Š| ||
| 6 | R | 57.7 | Low | 48.8 | Very low | 243 Ų | 243 | 167.4 Ų | 167.4 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -63 | 101.5 | 164 | -63.9 | -177.6 | -139.9 | -133.1 | 2.7 | 107 | G8 | R6-G8 PolarHBondContact O-N 3.43Š| ||
| 7 | R | 52.9 | Low | 48.5 | Very low | 229 Ų | 229 | 166.6 Ų | 166.6 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -87.5 | 106.3 | 160.7 | -148.8 | 163.2 | -175.4 | 142.1 | -1.6 | 107.1 | F5 R9 | F5-R7 PolarHBondContact O-N 3.04Å; R7-R9 PolarHBondContact O-N 2.92Å | ||
| 8 | G | 44.9 | Very low | 48.4 | Very low | 60 Ų | 60 | 162.9 Ų | 162.9 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | trans | -46.1 | 132.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R6 R10 | R6-G8 PolarHBondContact O-N 3.43Å; G8-R10 PolarHBondContact O-N 3.44Å | ||
| 9 | R | 50.9 | Low | 48.5 | Very low | 247 Ų | 247 | 159.5 Ų | 159.5 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -45.5 | 105 | 155.9 | -68.3 | 178 | -74.3 | 180 | -1.6 | 107.1 | R7 S11 | R7-R9 PolarHBondContact O-N 2.92Å; R9-S11 PolarHBondContact O-N 2.86Å | ||
| 10 | R | 48.1 | Very low | 48.6 | Very low | 234 Ų | 234 | 155 Ų | 155 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -68.9 | 89.4 | 162.1 | -77.2 | -175.3 | 178.3 | 174.1 | -2 | 105.6 | G8 H12 | G8-R10 PolarHBondContact O-N 3.44Å; R10-H12 PolarHBondContact O-N 2.89Å | ||
| 11 | S | 49.6 | Very low | 48.8 | Very low | 106 Ų | 106 | 152.7 Ų | 152.7 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -63.2 | 83.4 | 164.4 | 170.6 | 0 | 0 | 0 | 0 | 107.6 | R9 | R9-S11 PolarHBondContact O-N 2.86Š| ||
| 12 | H | 47.1 | Very low | 49.5 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -97.1 | 88.3 | 150.1 | -81.8 | -143.5 | 0 | 0 | 0 | 105.3 | R10 | R10-H12 PolarHBondContact O-N 2.89Š| ||
| 13 | F | 39.5 | Very low | 49.8 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 63% | 0.632 | 73% | 0.733 | S | S | * | * | trans | 46.2 | 96.2 | 146.5 | -148.8 | -118.9 | 0 | 0 | 0 | 116.6 | Q15 | F13-Q15 VanDerWaalsContact C-N 3.3Å; F13-Q15 HydrophobicContact CD1-CB 3.71Å; F13-Q15 HydrophobicContact CD1-CG 3.8Å; F13-Q15 HydrophobicContact CE1-CB 3.57Å; F13-Q15 HydrophobicContact CE1-CG 3.41Å; F13-Q15 VanDerWaalsContact CE1-CG 3.41Å; F13-Q15 HydrophobicContact CE2-CG 4.33Å; F13-Q15 HydrophobicContact CG-CG 4.45Å; F13-Q15 HydrophobicContact CZ-CB 4.37Å; F13-Q15 HydrophobicContact CZ-CG 3.7Å; F13-Q15 PolarHBondContact O-N 2.97Å | ||
| 14 | K | 62.5 | Low | 50.3 | Low | 214 Ų | 214 | 143.9 Ų | 143.9 | 93% | 0.93 | 72% | 0.724 | S | S | * | * | trans | -66.6 | 87.9 | 157.8 | -66.1 | -160.7 | -179.2 | -163.5 | 0 | 109.7 | ||||
| 15 | Q | 43.8 | Very low | 50.3 | Low | 145 Ų | 145 | 143.3 Ų | 143.3 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | trans | -149.3 | 88.1 | 157.9 | -66.7 | -168.6 | -14.2 | 0 | 0 | 105.9 | F13 | F13-Q15 VanDerWaalsContact C-N 3.3Å; F13-Q15 HydrophobicContact CD1-CB 3.71Å; F13-Q15 HydrophobicContact CD1-CG 3.8Å; F13-Q15 HydrophobicContact CE1-CB 3.57Å; F13-Q15 HydrophobicContact CE1-CG 3.41Å; F13-Q15 VanDerWaalsContact CE1-CG 3.41Å; F13-Q15 HydrophobicContact CE2-CG 4.33Å; F13-Q15 HydrophobicContact CG-CG 4.45Å; F13-Q15 HydrophobicContact CZ-CB 4.37Å; F13-Q15 HydrophobicContact CZ-CG 3.7Å; F13-Q15 PolarHBondContact O-N 2.97Å | ||
| 16 | G | 53.9 | Low | 51.3 | Low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 69% | 0.69 | S | S | * | * | 106.6 | 140 | 83.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 17 | L | 44.1 | Very low | 51.9 | Low | 154 Ų | 154 | 127.7 Ų | 127.7 | 81% | 0.806 | 66% | 0.664 | S | S | * | * | trans | 84.9 | 117.3 | -173.2 | -51.8 | 160.1 | 0 | 0 | 0 | 112.7 | L19 | L17-L19 HydrophobicContact CB-CD2 4.33Å; L17-L19 PolarHBondContact O-N 2.76Å | ||
| 18 | A | 47.4 | Very low | 52.7 | Low | 100 Ų | 100 | 119.8 Ų | 119.8 | 83% | 0.826 | 65% | 0.648 | S | S | * | * | trans | -46.9 | 90.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | S20 | A18-S20 VanDerWaalsContact C-N 3.32Å; A18-S20 PolarHBondContact O-N 2.88Å | ||
| 19 | L | 50.3 | Low | 53.6 | Low | 99 Ų | 99 | 118.7 Ų | 118.7 | 52% | 0.518 | 63% | 0.627 | S | S | . | * | trans | -63.6 | 105.8 | 173.4 | -71.9 | 174.2 | 0 | 0 | 0 | 104 | L17 L23 | L17-L19 HydrophobicContact CB-CD2 4.33Å; L17-L19 PolarHBondContact O-N 2.76Å; L19-L23 HydrophobicContact CD2-CD2 4.32Å | ||
| 20 | S | 49 | Very low | 54.4 | Low | 68 Ų | 68 | 111.3 Ų | 111.3 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | trans | -43.8 | 143.9 | -177 | -56.7 | 0 | 0 | 0 | 0 | 109.4 | A18 R22 L23 E24 | A18-S20 VanDerWaalsContact C-N 3.32Å; A18-S20 PolarHBondContact O-N 2.88Å; S20-R22 CarbonylContact O-C 3.58Å; S20-R22 PolarHBondContact O-N 3.29Å; S20-L23 PolarHBondContact O-N 2.86Å; S20-E24 PolarHBondContact O-N 2.79Å | ||
| 21 | P | 53.2 | Low | 55.2 | Low | 108 Ų | 108 | 103 Ų | 103 | 70% | 0.701 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -50.9 | -21.7 | 177.4 | 17.6 | -30.7 | 0 | 0 | 0 | 112.7 | C25 | P21-C25 VanDerWaalsContact O-CB 3.28Å; P21-C25 WeakPolarHBondContact O-CB 3.41Å; P21-C25 PolarHBondContact O-N 3.44Å; P21-C25 PolarHBondContact O-SG 3.48Å; P21-C25 VanDerWaalsContact O-SG 3.37Å |
| 22 | R | 52.5 | Low | 56.2 | Low | 138 Ų | 138 | 103 Ų | 103 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.7 | -39.8 | 170.9 | -143 | 177.3 | -164.1 | -101.7 | 32.6 | 115.7 | S20 S26 D72 | S20-R22 CarbonylContact O-C 3.58Å; S20-R22 PolarHBondContact O-N 3.29Å; R22-S26 WeakPolarHBondContact O-CB 3.28Å; R22-S26 PolarHBondContact O-N 3.28Å; R22-D72 IonicContact CZ-OD1 3.96Å; R22-D72 IonicContact CZ-OD2 3.45Å; R22-D72 IonicContact NE-OD2 3.02Å; R22-D72 IonicContact NH1-OD1 3.08Å; R22-D72 PolarHBondContact NH1-OD1 3.33Å; R22-D72 IonicContact NH1-OD2 3.44Å; R22-D72 PolarHBondContact NH1-OD2 3.4Å; R22-D72 IonicContact NH2-OD1 2.88Å; R22-D72 PolarHBondContact NH2-OD1 2.89Å; R22-D72 IonicContact NH2-OD2 2.79Å; R22-D72 PolarHBondContact NH2-OD2 3.37Å |
| 23 | L | 54.3 | Low | 57.1 | Low | 111 Ų | 111 | 96.5 Ų | 96.5 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -78.8 | -34.6 | 178.5 | -124.7 | 133.5 | 0 | 0 | 0 | 110.7 | L19 S20 S26 G27 | L19-L23 HydrophobicContact CD2-CD2 4.32Å; S20-L23 PolarHBondContact O-N 2.86Å; L23-S26 PolarHBondContact O-N 2.75Å; L23-G27 PolarHBondContact O-N 2.75Å |
| 24 | E | 55.8 | Low | 58.3 | Low | 140 Ų | 140 | 94.3 Ų | 94.3 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.1 | -44.2 | 169.6 | -67.8 | -139.2 | 111.2 | 0 | 0 | 111.8 | S20 G27 A28 | S20-E24 PolarHBondContact O-N 2.79Å; E24-G27 PolarHBondContact O-N 3.05Å; E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 2.88Å |
| 25 | C | 56.3 | Low | 58.5 | Low | 55 Ų | 55 | 90.1 Ų | 90.1 | 37% | 0.372 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -49 | 172 | -83.1 | 0 | 0 | 0 | 0 | 111 | P21 G27 A28 I29 | P21-C25 VanDerWaalsContact O-CB 3.28Å; P21-C25 WeakPolarHBondContact O-CB 3.41Å; P21-C25 PolarHBondContact O-N 3.44Å; P21-C25 PolarHBondContact O-SG 3.48Å; P21-C25 VanDerWaalsContact O-SG 3.37Å; C25-G27 VanDerWaalsContact C-N 3.31Å; C25-G27 PolarHBondContact O-N 3.23Å; C25-A28 PolarHBondContact O-N 3.15Å; C25-I29 WeakPolarHBondContact O-CD1 3.2Å; C25-I29 PolarHBondContact O-N 3.45Å |
| 26 | S | 64.6 | Low | 59.6 | Low | 53 Ų | 53 | 88.9 Ų | 88.9 | 37% | 0.371 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 179.1 | -145.6 | 0 | 0 | 0 | 0 | 112 | R22 L23 I29 I30 | R22-S26 WeakPolarHBondContact O-CB 3.28Å; R22-S26 PolarHBondContact O-N 3.28Å; L23-S26 PolarHBondContact O-N 2.75Å; S26-I29 PolarHBondContact O-N 2.8Å; S26-I30 WeakPolarHBondContact O-CB 3.48Å; S26-I30 WeakPolarHBondContact O-CD1 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.28Å; S26-I30 PolarHBondContact O-N 3.36Å |
| 27 | G | 69.1 | Low | 59.9 | Low | 36 Ų | 36 | 91.3 Ų | 91.3 | 37% | 0.371 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L23 E24 C25 I30 A31 | L23-G27 PolarHBondContact O-N 2.75Å; E24-G27 PolarHBondContact O-N 3.05Å; C25-G27 VanDerWaalsContact C-N 3.31Å; C25-G27 PolarHBondContact O-N 3.23Å; G27-I30 PolarHBondContact O-N 2.84Å; G27-A31 VanDerWaalsContact O-CB 3.3Å; G27-A31 WeakPolarHBondContact O-CB 3.41Å; G27-A31 PolarHBondContact O-N 3.29Å |
| 28 | A | 69.8 | Low | 60.6 | Low | 62 Ų | 62 | 89 Ų | 89 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E24 C25 A31 H32 | E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 2.88Å; C25-A28 PolarHBondContact O-N 3.15Å; A28-A31 PolarHBondContact O-N 2.89Å; A28-H32 WeakPolarHBondContact O-CB 3.3Å; A28-H32 PolarHBondContact O-N 3.47Å |
| 29 | I | 63.4 | Low | 61 | Low | 37 Ų | 37 | 86.3 Ų | 86.3 | 19% | 0.19 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -70.9 | -39.4 | 175.9 | -78.1 | 97.1 | 0 | 0 | 0 | 112.1 | C25 S26 A31 H32 C33 F67 | C25-I29 WeakPolarHBondContact O-CD1 3.2Å; C25-I29 PolarHBondContact O-N 3.45Å; S26-I29 PolarHBondContact O-N 2.8Å; I29-A31 VanDerWaalsContact C-N 3.32Å; I29-H32 PolarHBondContact O-N 2.86Å; I29-C33 WeakPolarHBondContact O-CB 3.43Å; I29-C33 PolarHBondContact O-N 2.88Å; I29-C33 PolarHBondContact O-SG 3.47Å; I29-F67 HydrophobicContact CG1-CD1 4.46Å; I29-F67 HydrophobicContact CG1-CE1 3.92Å; I29-F67 HydrophobicContact CG2-CD1 4.02Å; I29-F67 HydrophobicContact CG2-CE1 4.27Å |
| 30 | I | 68.1 | Low | 61.2 | Low | 93 Ų | 93 | 85.4 Ų | 85.4 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.3 | -70.1 | 164.5 | 0 | 0 | 0 | 109.7 | S26 G27 H32 C33 I34 | S26-I30 WeakPolarHBondContact O-CB 3.48Å; S26-I30 WeakPolarHBondContact O-CD1 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.28Å; S26-I30 PolarHBondContact O-N 3.36Å; G27-I30 PolarHBondContact O-N 2.84Å; I30-H32 VanDerWaalsContact C-N 3.35Å; I30-H32 PolarHBondContact O-N 2.85Å; I30-C33 PolarHBondContact O-N 3.3Å; I30-I34 HydrophobicContact CG2-CD1 3.52Å; I30-I34 HydrophobicContact CG2-CG1 4.26Å; I30-I34 WeakPolarHBondContact O-CB 3.38Å; I30-I34 WeakPolarHBondContact O-CG1 3.39Å; I30-I34 PolarHBondContact O-N 3.47Å |
| 31 | A | 66 | Low | 61.5 | Low | 58 Ų | 58 | 85.7 Ų | 85.7 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G27 A28 I29 I34 L35 | G27-A31 VanDerWaalsContact O-CB 3.3Å; G27-A31 WeakPolarHBondContact O-CB 3.41Å; G27-A31 PolarHBondContact O-N 3.29Å; A28-A31 PolarHBondContact O-N 2.89Å; I29-A31 VanDerWaalsContact C-N 3.32Å; A31-I34 PolarHBondContact O-N 3.49Å; A31-L35 WeakPolarHBondContact O-CB 3.15Å; A31-L35 PolarHBondContact O-N 3.4Å |
| 32 | H | 69.7 | Low | 61.7 | Low | 108 Ų | 108 | 86.8 Ų | 86.8 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 175.4 | -166.3 | -80.7 | 0 | 0 | 0 | 112 | A28 I29 I30 I34 L35 E36 | A28-H32 WeakPolarHBondContact O-CB 3.3Å; A28-H32 PolarHBondContact O-N 3.47Å; I29-H32 PolarHBondContact O-N 2.86Å; I30-H32 VanDerWaalsContact C-N 3.35Å; I30-H32 PolarHBondContact O-N 2.85Å; H32-I34 PolarHBondContact O-N 3.4Å; H32-L35 PolarHBondContact O-N 3.39Å; H32-E36 IonicContact CE1-OE1 2.55Å; H32-E36 PolarHBondContact CE1-OE1 3.44Å; H32-E36 IonicContact CE1-OE2 3.34Å; H32-E36 PolarHBondContact CE1-OE2 3.45Å; H32-E36 IonicContact ND1-OE1 3.15Å; H32-E36 IonicContact ND1-OE2 3.86Å; H32-E36 PolarHBondContact ND1-OE2 2.95Å; H32-E36 VanDerWaalsContact ND1-OE2 3.15Å; H32-E36 WeakPolarHBondContact O-CB 3.38Å; H32-E36 PolarHBondContact O-N 3.48Å |
| 33 | C | 66.3 | Low | 61.7 | Low | 40 Ų | 40 | 86.6 Ų | 86.6 | 27% | 0.27 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 177.1 | -73.5 | 0 | 0 | 0 | 0 | 112 | I29 I30 L35 L37 | I29-C33 WeakPolarHBondContact O-CB 3.43Å; I29-C33 PolarHBondContact O-N 2.88Å; I29-C33 PolarHBondContact O-SG 3.47Å; I30-C33 PolarHBondContact O-N 3.3Å; C33-L35 VanDerWaalsContact C-N 3.34Å; C33-L37 WeakPolarHBondContact O-CB 2.89Å; C33-L37 PolarHBondContact O-N 2.79Å |
| 34 | I | 64.9 | Low | 61.7 | Low | 99 Ų | 99 | 86.2 Ų | 86.2 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 176.3 | -67.5 | 167.5 | 0 | 0 | 0 | 110 | I30 A31 H32 L37 L38 | I30-I34 HydrophobicContact CG2-CD1 3.52Å; I30-I34 HydrophobicContact CG2-CG1 4.26Å; I30-I34 WeakPolarHBondContact O-CB 3.38Å; I30-I34 WeakPolarHBondContact O-CG1 3.39Å; I30-I34 PolarHBondContact O-N 3.47Å; A31-I34 PolarHBondContact O-N 3.49Å; H32-I34 PolarHBondContact O-N 3.4Å; I34-L37 PolarHBondContact O-N 3.02Å; I34-L38 WeakPolarHBondContact O-CB 3.38Å; I34-L38 PolarHBondContact O-N 3.34Å |
| 35 | L | 65.9 | Low | 61 | Low | 125 Ų | 125 | 85.2 Ų | 85.2 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.8 | -40.1 | 178 | -168.1 | 71.1 | 0 | 0 | 0 | 112.4 | A31 H32 C33 G39 | A31-L35 WeakPolarHBondContact O-CB 3.15Å; A31-L35 PolarHBondContact O-N 3.4Å; H32-L35 PolarHBondContact O-N 3.39Å; C33-L35 VanDerWaalsContact C-N 3.34Å; L35-G39 WeakPolarHBondContact O-CA 3.24Å; L35-G39 PolarHBondContact O-N 2.85Å |
| 36 | E | 67.6 | Low | 60.7 | Low | 119 Ų | 119 | 88.3 Ų | 88.3 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.5 | -39 | 171.5 | -78.7 | -175 | 132.6 | 0 | 0 | 111.4 | H32 S40 | H32-E36 IonicContact CE1-OE1 2.55Å; H32-E36 PolarHBondContact CE1-OE1 3.44Å; H32-E36 IonicContact CE1-OE2 3.34Å; H32-E36 PolarHBondContact CE1-OE2 3.45Å; H32-E36 IonicContact ND1-OE1 3.15Å; H32-E36 IonicContact ND1-OE2 3.86Å; H32-E36 PolarHBondContact ND1-OE2 2.95Å; H32-E36 VanDerWaalsContact ND1-OE2 3.15Å; H32-E36 WeakPolarHBondContact O-CB 3.38Å; H32-E36 PolarHBondContact O-N 3.48Å; E36-S40 WeakPolarHBondContact O-CA 3.43Å; E36-S40 WeakPolarHBondContact O-CB 3.33Å; E36-S40 PolarHBondContact O-N 2.55Å |
| 37 | L | 59.3 | Low | 59.6 | Low | 114 Ų | 114 | 90.1 Ų | 90.1 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.2 | -43.2 | 176.1 | -177.3 | 63.6 | 0 | 0 | 0 | 111.5 | C33 I34 S41 | C33-L37 WeakPolarHBondContact O-CB 2.89Å; C33-L37 PolarHBondContact O-N 2.79Å; I34-L37 PolarHBondContact O-N 3.02Å; L37-S41 WeakPolarHBondContact O-CB 3.02Å; L37-S41 PolarHBondContact O-N 3.3Å; L37-S41 PolarHBondContact O-OG 2.88Å |
| 38 | L | 58.6 | Low | 59.2 | Low | 106 Ų | 106 | 93.6 Ų | 93.6 | 56% | 0.555 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.3 | -43 | 179.7 | -163.6 | 63.4 | 0 | 0 | 0 | 110.7 | I34 S40 S41 D42 | I34-L38 WeakPolarHBondContact O-CB 3.38Å; I34-L38 PolarHBondContact O-N 3.34Å; L38-S40 VanDerWaalsContact C-N 3.31Å; L38-S40 PolarHBondContact O-N 3.11Å; L38-S41 WeakPolarHBondContact O-CA 3.44Å; L38-S41 WeakPolarHBondContact O-CB 3.16Å; L38-S41 PolarHBondContact O-N 3.17Å; L38-D42 PolarHBondContact O-N 3.49Å |
| 39 | G | 55.8 | Low | 58.3 | Low | 43 Ų | 43 | 99.1 Ų | 99.1 | 44% | 0.443 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.8 | -28.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L35 | L35-G39 WeakPolarHBondContact O-CA 3.24Å; L35-G39 PolarHBondContact O-N 2.85Å |
| 40 | S | 55.3 | Low | 57.7 | Low | 81 Ų | 81 | 101.1 Ų | 101.1 | 57% | 0.566 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79.1 | -20.3 | 168.9 | 178.6 | 0 | 0 | 0 | 0 | 112.7 | E36 L38 D42 | E36-S40 WeakPolarHBondContact O-CA 3.43Å; E36-S40 WeakPolarHBondContact O-CB 3.33Å; E36-S40 PolarHBondContact O-N 2.55Å; L38-S40 VanDerWaalsContact C-N 3.31Å; L38-S40 PolarHBondContact O-N 3.11Å; S40-D42 VanDerWaalsContact C-N 3.32Å |
| 41 | S | 56 | Low | 56.7 | Low | 73 Ų | 73 | 100.4 Ų | 100.4 | 51% | 0.51 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -76.8 | -21.8 | 177.7 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | L37 L38 L43 | L37-S41 WeakPolarHBondContact O-CB 3.02Å; L37-S41 PolarHBondContact O-N 3.3Å; L37-S41 PolarHBondContact O-OG 2.88Å; L38-S41 WeakPolarHBondContact O-CA 3.44Å; L38-S41 WeakPolarHBondContact O-CB 3.16Å; L38-S41 PolarHBondContact O-N 3.17Å; S41-L43 VanDerWaalsContact C-N 3.35Å |
| 42 | D | 57.5 | Low | 56 | Low | 132 Ų | 132 | 104.4 Ų | 104.4 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 3.5 | 174.8 | -68.9 | -50.6 | 0 | 0 | 0 | 114.2 | L38 S40 P44 | L38-D42 PolarHBondContact O-N 3.49Å; S40-D42 VanDerWaalsContact C-N 3.32Å; D42-P44 WeakPolarHBondContact O-CD 3.35Å |
| 43 | L | 51.4 | Low | 55.2 | Low | 133 Ų | 133 | 103.5 Ų | 103.5 | 70% | 0.696 | 62% | 0.624 | S | S | * | * | trans | -102.7 | 60.1 | 166.2 | -80.9 | 152.8 | 0 | 0 | 0 | 112.6 | S41 T45 | S41-L43 VanDerWaalsContact C-N 3.35Å; L43-T45 VanDerWaalsContact C-N 3.31Å; L43-T45 PolarHBondContact O-N 2.88Å | ||
| 44 | P | 54.4 | Low | 54.7 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 67% | 0.669 | 64% | 0.642 | S | S | * | * | trans | -93.3 | 70.1 | 155.5 | 37.3 | -25.9 | 0 | 0 | 0 | 107.5 | D42 P46 | D42-P44 WeakPolarHBondContact O-CD 3.35Å; P44-P46 WeakPolarHBondContact O-CD 3.37Å | ||
| 45 | T | 42 | Very low | 54.2 | Low | 119 Ų | 119 | 103.7 Ų | 103.7 | 73% | 0.73 | 64% | 0.635 | S | S | * | * | trans | -79.4 | 118.2 | 162.7 | -46.1 | 0 | 0 | 0 | 0 | 106.8 | L43 A47 | L43-T45 VanDerWaalsContact C-N 3.31Å; L43-T45 PolarHBondContact O-N 2.88Å; T45-A47 PolarHBondContact O-N 3.33Å | ||
| 46 | P | 50 | Low | 53.6 | Low | 121 Ų | 121 | 101 Ų | 101 | 79% | 0.786 | 63% | 0.632 | S | S | * | * | trans | -83 | 102.1 | -161.7 | 32.3 | -32.9 | 0 | 0 | 0 | 110.2 | P44 | P44-P46 WeakPolarHBondContact O-CD 3.37Š| ||
| 47 | A | 41.2 | Very low | 53.5 | Low | 91 Ų | 91 | 104.4 Ų | 104.4 | 75% | 0.752 | 64% | 0.639 | S | S | * | * | trans | -157.1 | 93.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T45 | T45-A47 PolarHBondContact O-N 3.33Š| ||
| 48 | S | 61.1 | Low | 53.6 | Low | 109 Ų | 109 | 103.9 Ų | 103.9 | 76% | 0.762 | 63% | 0.634 | S | S | * | * | trans | 32.3 | 93.6 | 146 | 174.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 49 | R | 49.4 | Very low | 53.6 | Low | 177 Ų | 177 | 106.5 Ų | 106.5 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | -169.4 | 103.5 | 121 | -144.4 | 158.7 | -82.2 | 169.3 | -5.5 | 111.9 | A51 | R49-A51 HydrophobicContact CG-CB 4.16Å; R49-A51 PolarHBondContact O-N 3Å | |||
| 50 | G | 50.5 | Low | 53.9 | Low | 80 Ų | 80 | 107.2 Ų | 107.2 | 83% | 0.825 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 21.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 51 | A | 48.8 | Very low | 54.4 | Low | 77 Ų | 77 | 111.5 Ų | 111.5 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | -17.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | R49 | R49-A51 HydrophobicContact CG-CB 4.16Å; R49-A51 PolarHBondContact O-N 3Å |
| 52 | E | 51.2 | Low | 54.8 | Low | 143 Ų | 143 | 112.2 Ų | 112.2 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -18.1 | -177.3 | -77.9 | 176.3 | 116.8 | 0 | 0 | 113.9 | T54 | E52-T54 VanDerWaalsContact C-N 3.3Å; E52-T54 PolarHBondContact O-N 2.94Å |
| 53 | T | 52.3 | Low | 55.1 | Low | 88 Ų | 88 | 111.5 Ų | 111.5 | 54% | 0.54 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -77.2 | -14.3 | -176.8 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | R57 | T53-R57 WeakPolarHBondContact O-CB 3.49Å; T53-R57 PolarHBondContact O-N 3.42Å |
| 54 | T | 55.5 | Low | 55.7 | Low | 108 Ų | 108 | 108.7 Ų | 108.7 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79.4 | -33.7 | -179.6 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | E52 H58 | E52-T54 VanDerWaalsContact C-N 3.3Å; E52-T54 PolarHBondContact O-N 2.94Å; T54-H58 WeakPolarHBondContact O-CB 3.1Å |
| 55 | G | 54.7 | Low | 56.1 | Low | 35 Ų | 35 | 110 Ų | 110 | 36% | 0.361 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -74 | -56.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R57 H58 Y59 | G55-R57 VanDerWaalsContact C-N 3.31Å; G55-R57 PolarHBondContact O-N 2.64Å; G55-H58 WeakPolarHBondContact O-CB 3.11Å; G55-H58 PolarHBondContact O-N 2.78Å; G55-H58 VanDerWaalsContact O-N 3.08Å; G55-Y59 WeakPolarHBondContact O-CD2 3.02Å; G55-Y59 PolarHBondContact O-N 3.45Å |
| 56 | A | 54.1 | Low | 57.1 | Low | 70 Ų | 70 | 111.5 Ų | 111.5 | 58% | 0.579 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.7 | -36.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | H58 Y59 S60 | A56-H58 VanDerWaalsContact C-N 3.33Å; A56-Y59 PolarHBondContact O-N 2.8Å; A56-S60 PolarHBondContact O-N 2.88Å; A56-S60 PolarHBondContact O-OG 2.94Å |
| 57 | R | 63.7 | Low | 57.4 | Low | 190 Ų | 190 | 110 Ų | 110 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.5 | -23.9 | 178.6 | -151.5 | 176.8 | -160.6 | 179.4 | 5.6 | 112.6 | T53 G55 S60 R61 | T53-R57 WeakPolarHBondContact O-CB 3.49Å; T53-R57 PolarHBondContact O-N 3.42Å; G55-R57 VanDerWaalsContact C-N 3.31Å; G55-R57 PolarHBondContact O-N 2.64Å; R57-S60 WeakPolarHBondContact CA-OG 2.98Å; R57-S60 PolarHBondContact O-OG 3.44Å; R57-R61 VanDerWaalsContact O-CB 3.28Å; R57-R61 WeakPolarHBondContact O-CB 3.49Å; R57-R61 PolarHBondContact O-N 3.14Å |
| 58 | H | 62.1 | Low | 58.2 | Low | 103 Ų | 103 | 110.3 Ų | 110.3 | 48% | 0.477 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.2 | -45.1 | 173 | -164.9 | 63.6 | 0 | 0 | 0 | 110.8 | T54 G55 A56 R61 L62 | T54-H58 WeakPolarHBondContact O-CB 3.1Å; G55-H58 WeakPolarHBondContact O-CB 3.11Å; G55-H58 PolarHBondContact O-N 2.78Å; G55-H58 VanDerWaalsContact O-N 3.08Å; A56-H58 VanDerWaalsContact C-N 3.33Å; H58-R61 PolarHBondContact O-N 3.41Å; H58-L62 WeakPolarHBondContact O-CB 3.17Å; H58-L62 VanDerWaalsContact O-CG 3.26Å; H58-L62 WeakPolarHBondContact O-CG 3.38Å; H58-L62 PolarHBondContact O-N 2.91Å |
| 59 | Y | 59.3 | Low | 58.2 | Low | 161 Ų | 161 | 108 Ų | 108 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.3 | -44.8 | 174.9 | -69.7 | -73.1 | 0 | 0 | 0 | 112.6 | G55 A56 R61 L62 I63 | G55-Y59 WeakPolarHBondContact O-CD2 3.02Å; G55-Y59 PolarHBondContact O-N 3.45Å; A56-Y59 PolarHBondContact O-N 2.8Å; Y59-R61 VanDerWaalsContact C-N 3.33Å; Y59-R61 PolarHBondContact O-N 3.11Å; Y59-L62 PolarHBondContact O-N 3.31Å; Y59-I63 WeakPolarHBondContact O-CD1 2.81Å; Y59-I63 VanDerWaalsContact O-CG1 3.28Å; Y59-I63 WeakPolarHBondContact O-CG1 3.28Å; Y59-I63 PolarHBondContact O-N 3.19Å |
| 60 | S | 60.8 | Low | 58.3 | Low | 58 Ų | 58 | 103.3 Ų | 103.3 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -38.4 | 176.9 | 64 | 0 | 0 | 0 | 0 | 112.3 | A56 R57 I63 V64 | A56-S60 PolarHBondContact O-N 2.88Å; A56-S60 PolarHBondContact O-OG 2.94Å; R57-S60 WeakPolarHBondContact CA-OG 2.98Å; R57-S60 PolarHBondContact O-OG 3.44Å; S60-I63 PolarHBondContact O-N 2.79Å; S60-V64 VanDerWaalsContact O-CG2 3.31Å; S60-V64 WeakPolarHBondContact O-CG2 3.38Å; S60-V64 PolarHBondContact O-N 3.32Å |
| 61 | R | 66.5 | Low | 58.5 | Low | 170 Ų | 170 | 100.7 Ų | 100.7 | 64% | 0.642 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.1 | -37.4 | 175.6 | -163.1 | 164.6 | 86.7 | 179.4 | 7 | 112.4 | R57 H58 Y59 Q65 | R57-R61 VanDerWaalsContact O-CB 3.28Å; R57-R61 WeakPolarHBondContact O-CB 3.49Å; R57-R61 PolarHBondContact O-N 3.14Å; H58-R61 PolarHBondContact O-N 3.41Å; Y59-R61 VanDerWaalsContact C-N 3.33Å; Y59-R61 PolarHBondContact O-N 3.11Å; R61-Q65 VanDerWaalsContact O-CB 3.25Å; R61-Q65 WeakPolarHBondContact O-CB 3.46Å; R61-Q65 PolarHBondContact O-N 3.24Å |
| 62 | L | 64.4 | Low | 58.7 | Low | 89 Ų | 89 | 100.3 Ų | 100.3 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 174.7 | -71.4 | 171.9 | 0 | 0 | 0 | 111.9 | H58 Y59 Q65 Y66 | H58-L62 WeakPolarHBondContact O-CB 3.17Å; H58-L62 VanDerWaalsContact O-CG 3.26Å; H58-L62 WeakPolarHBondContact O-CG 3.38Å; H58-L62 PolarHBondContact O-N 2.91Å; Y59-L62 PolarHBondContact O-N 3.31Å; L62-Q65 PolarHBondContact O-N 3.16Å; L62-Y66 WeakPolarHBondContact O-CB 3.49Å; L62-Y66 PolarHBondContact O-N 2.99Å |
| 63 | I | 64.7 | Low | 58.6 | Low | 116 Ų | 116 | 99.2 Ų | 99.2 | 60% | 0.595 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -47.7 | 175.3 | -68.3 | 161.2 | 0 | 0 | 0 | 110 | Y59 S60 Q65 Y66 F67 | Y59-I63 WeakPolarHBondContact O-CD1 2.81Å; Y59-I63 VanDerWaalsContact O-CG1 3.28Å; Y59-I63 WeakPolarHBondContact O-CG1 3.28Å; Y59-I63 PolarHBondContact O-N 3.19Å; S60-I63 PolarHBondContact O-N 2.79Å; I63-Q65 VanDerWaalsContact C-N 3.34Å; I63-Q65 PolarHBondContact O-N 3.06Å; I63-Y66 PolarHBondContact O-N 3.44Å; I63-F67 VanDerWaalsContact O-CB 3.28Å; I63-F67 WeakPolarHBondContact O-CB 3.31Å; I63-F67 PolarHBondContact O-N 2.89Å |
| 64 | V | 63.1 | Low | 58.7 | Low | 75 Ų | 75 | 96.6 Ų | 96.6 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | S60 C68 | S60-V64 VanDerWaalsContact O-CG2 3.31Å; S60-V64 WeakPolarHBondContact O-CG2 3.38Å; S60-V64 PolarHBondContact O-N 3.32Å; V64-C68 WeakPolarHBondContact O-CB 2.97Å; V64-C68 PolarHBondContact O-N 3.17Å |
| 65 | Q | 62.6 | Low | 58.6 | Low | 129 Ų | 129 | 95.4 Ų | 95.4 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.5 | -40.8 | 178.8 | -165.7 | 107.2 | 83.7 | 0 | 0 | 112.7 | R61 L62 I63 G69 | R61-Q65 VanDerWaalsContact O-CB 3.25Å; R61-Q65 WeakPolarHBondContact O-CB 3.46Å; R61-Q65 PolarHBondContact O-N 3.24Å; L62-Q65 PolarHBondContact O-N 3.16Å; I63-Q65 VanDerWaalsContact C-N 3.34Å; I63-Q65 PolarHBondContact O-N 3.06Å; Q65-G69 WeakPolarHBondContact O-CA 3.36Å; Q65-G69 PolarHBondContact O-N 3.49Å |
| 66 | Y | 63.2 | Low | 58.3 | Low | 151 Ų | 151 | 100.5 Ų | 100.5 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 176.4 | 176.2 | -101 | 0 | 0 | 0 | 110.8 | L62 I63 N70 | L62-Y66 WeakPolarHBondContact O-CB 3.49Å; L62-Y66 PolarHBondContact O-N 2.99Å; I63-Y66 PolarHBondContact O-N 3.44Å; Y66-N70 WeakPolarHBondContact O-CB 3.4Å; Y66-N70 PolarHBondContact O-N 2.92Å; Y66-N70 VanDerWaalsContact O-N 3.07Å; Y66-N70 PolarHBondContact O-ND2 3.27Å |
| 67 | F | 55.8 | Low | 58.3 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 40% | 0.395 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -64 | 172.9 | -138.8 | -142.4 | 0 | 0 | 0 | 108.2 | I29 I63 G69 N70 R71 | I29-F67 HydrophobicContact CG1-CD1 4.46Å; I29-F67 HydrophobicContact CG1-CE1 3.92Å; I29-F67 HydrophobicContact CG2-CD1 4.02Å; I29-F67 HydrophobicContact CG2-CE1 4.27Å; I63-F67 VanDerWaalsContact O-CB 3.28Å; I63-F67 WeakPolarHBondContact O-CB 3.31Å; I63-F67 PolarHBondContact O-N 2.89Å; F67-G69 VanDerWaalsContact C-N 3.27Å; F67-G69 PolarHBondContact O-N 3.29Å; F67-G69 VanDerWaalsContact O-N 3.11Å; F67-N70 PolarHBondContact O-N 3.44Å; F67-R71 VanDerWaalsContact CD1-CZ 3.48Å; F67-R71 HydrophobicContact CG-CG 4.32Å; F67-R71 VanDerWaalsContact CG-NE 3.25Å; F67-R71 WeakPolarHBondContact O-CA 3.25Å; F67-R71 WeakPolarHBondContact O-CB 3.01Å; F67-R71 WeakPolarHBondContact O-CD 3.34Å; F67-R71 WeakPolarHBondContact O-CG 3.28Å; F67-R71 PolarHBondContact O-N 3.38Å; F67-R71 VanDerWaalsContact O-N 3.14Å |
| 68 | C | 58 | Low | 57.4 | Low | 98 Ų | 98 | 105.9 Ų | 105.9 | 66% | 0.662 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.9 | -32.1 | -174.8 | -169.7 | 0 | 0 | 0 | 0 | 114.9 | V64 | V64-C68 WeakPolarHBondContact O-CB 2.97Å; V64-C68 PolarHBondContact O-N 3.17Å |
| 69 | G | 61.7 | Low | 56.2 | Low | 59 Ų | 59 | 112 Ų | 112 | 61% | 0.608 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -92.8 | -27.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q65 F67 | Q65-G69 WeakPolarHBondContact O-CA 3.36Å; Q65-G69 PolarHBondContact O-N 3.49Å; F67-G69 VanDerWaalsContact C-N 3.27Å; F67-G69 PolarHBondContact O-N 3.29Å; F67-G69 VanDerWaalsContact O-N 3.11Å |
| 70 | N | 51.9 | Low | 55.6 | Low | 79 Ų | 79 | 111.7 Ų | 111.7 | 42% | 0.422 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -113.1 | 15.1 | -178.3 | -60.6 | -77.8 | 0 | 0 | 0 | 113 | Y66 F67 D72 L73 A74 | Y66-N70 WeakPolarHBondContact O-CB 3.4Å; Y66-N70 PolarHBondContact O-N 2.92Å; Y66-N70 VanDerWaalsContact O-N 3.07Å; Y66-N70 PolarHBondContact O-ND2 3.27Å; F67-N70 PolarHBondContact O-N 3.44Å; N70-D72 VanDerWaalsContact C-N 3.29Å; N70-D72 PolarHBondContact O-N 2.96Å; N70-L73 PolarHBondContact O-N 3.38Å; N70-A74 WeakPolarHBondContact O-CB 3.09Å; N70-A74 PolarHBondContact O-N 3.07Å |
| 71 | R | 54 | Low | 55.3 | Low | 25 Ų | 25 | 114.4 Ų | 114.4 | 9% | 0.094 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -69.6 | -21.7 | -163.3 | -120.2 | 161.7 | 169.5 | -68.7 | -34.3 | 116.5 | F67 M75 | F67-R71 VanDerWaalsContact CD1-CZ 3.48Å; F67-R71 HydrophobicContact CG-CG 4.32Å; F67-R71 VanDerWaalsContact CG-NE 3.25Å; F67-R71 WeakPolarHBondContact O-CA 3.25Å; F67-R71 WeakPolarHBondContact O-CB 3.01Å; F67-R71 WeakPolarHBondContact O-CD 3.34Å; F67-R71 WeakPolarHBondContact O-CG 3.28Å; F67-R71 PolarHBondContact O-N 3.38Å; F67-R71 VanDerWaalsContact O-N 3.14Å; R71-M75 WeakPolarHBondContact O-CB 3.46Å; R71-M75 VanDerWaalsContact O-CG 3.24Å; R71-M75 WeakPolarHBondContact O-CG 3.47Å; R71-M75 PolarHBondContact O-N 3.43Å |
| 72 | D | 53 | Low | 54.7 | Low | 70 Ų | 70 | 111.4 Ų | 111.4 | 37% | 0.374 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -75.5 | -49.6 | 178.7 | -56 | 176.5 | 0 | 0 | 0 | 108.4 | R22 N70 F76 | R22-D72 IonicContact CZ-OD1 3.96Å; R22-D72 IonicContact CZ-OD2 3.45Å; R22-D72 IonicContact NE-OD2 3.02Å; R22-D72 IonicContact NH1-OD1 3.08Å; R22-D72 PolarHBondContact NH1-OD1 3.33Å; R22-D72 IonicContact NH1-OD2 3.44Å; R22-D72 PolarHBondContact NH1-OD2 3.4Å; R22-D72 IonicContact NH2-OD1 2.88Å; R22-D72 PolarHBondContact NH2-OD1 2.89Å; R22-D72 IonicContact NH2-OD2 2.79Å; R22-D72 PolarHBondContact NH2-OD2 3.37Å; N70-D72 VanDerWaalsContact C-N 3.29Å; N70-D72 PolarHBondContact O-N 2.96Å; D72-F76 WeakPolarHBondContact O-CD2 3.28Å; D72-F76 PolarHBondContact O-N 2.84Å; D72-F76 VanDerWaalsContact O-N 3.17Å |
| 73 | L | 49.2 | Very low | 54.2 | Low | 119 Ų | 119 | 112.7 Ų | 112.7 | 62% | 0.623 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.7 | -36.5 | -178.8 | -67.5 | 169 | 0 | 0 | 0 | 113 | N70 M75 F76 L77 | N70-L73 PolarHBondContact O-N 3.38Å; L73-M75 PolarHBondContact O-N 2.79Å; L73-F76 PolarHBondContact O-N 3.47Å; L73-L77 WeakPolarHBondContact O-CB 3.17Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.29Å |
| 74 | A | 54.6 | Low | 53.6 | Low | 33 Ų | 33 | 112.5 Ų | 112.5 | 27% | 0.273 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.4 | -35.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N70 W78 | N70-A74 WeakPolarHBondContact O-CB 3.09Å; N70-A74 PolarHBondContact O-N 3.07Å; A74-W78 VanDerWaalsContact O-CB 3.28Å; A74-W78 WeakPolarHBondContact O-CB 3.04Å; A74-W78 PolarHBondContact O-N 3.37Å; A74-W78 VanDerWaalsContact O-N 3.11Å |
| 75 | M | 52.9 | Low | 53 | Low | 84 Ų | 84 | 114.8 Ų | 114.8 | 41% | 0.414 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.5 | -37 | 172.7 | -70.9 | -108.7 | 162.7 | 0 | 0 | 111.9 | R71 L73 W78 W79 | R71-M75 WeakPolarHBondContact O-CB 3.46Å; R71-M75 VanDerWaalsContact O-CG 3.24Å; R71-M75 WeakPolarHBondContact O-CG 3.47Å; R71-M75 PolarHBondContact O-N 3.43Å; L73-M75 PolarHBondContact O-N 2.79Å; M75-W78 PolarHBondContact O-N 2.78Å; M75-W79 VanDerWaalsContact O-CB 3.27Å; M75-W79 WeakPolarHBondContact O-CB 3.26Å; M75-W79 PolarHBondContact O-N 3.19Å |
| 76 | F | 49.2 | Very low | 52.3 | Low | 142 Ų | 142 | 113.9 Ų | 113.9 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.8 | -40.8 | 174.6 | -87.2 | -66.5 | 0 | 0 | 0 | 112.9 | D72 L73 W79 S80 | D72-F76 WeakPolarHBondContact O-CD2 3.28Å; D72-F76 PolarHBondContact O-N 2.84Å; D72-F76 VanDerWaalsContact O-N 3.17Å; L73-F76 PolarHBondContact O-N 3.47Å; F76-W79 PolarHBondContact O-N 3.08Å; F76-S80 WeakPolarHBondContact O-CB 3.5Å; F76-S80 PolarHBondContact O-N 3.29Å |
| 77 | L | 53.3 | Low | 51.6 | Low | 139 Ų | 139 | 111.2 Ų | 111.2 | 73% | 0.728 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.6 | -27.8 | 177.2 | -70.3 | 170.9 | 0 | 0 | 0 | 112.9 | L73 | L73-L77 WeakPolarHBondContact O-CB 3.17Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.29Å |
| 78 | W | 45 | Very low | 51.2 | Low | 234 Ų | 234 | 112.8 Ų | 112.8 | 89% | 0.886 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -78.4 | -24.1 | 173.8 | -170.7 | -79.6 | 0 | 0 | 0 | 112.8 | A74 M75 | A74-W78 VanDerWaalsContact O-CB 3.28Å; A74-W78 WeakPolarHBondContact O-CB 3.04Å; A74-W78 PolarHBondContact O-N 3.37Å; A74-W78 VanDerWaalsContact O-N 3.11Å; M75-W78 PolarHBondContact O-N 2.78Å |
| 79 | W | 38.1 | Very low | 50.7 | Low | 232 Ų | 232 | 114.1 Ų | 114.1 | 88% | 0.879 | 58% | 0.583 | S | S | * | * | trans | -91.9 | -3.4 | 178.3 | -169.1 | -89.6 | 0 | 0 | 0 | 113.4 | M75 F76 | M75-W79 VanDerWaalsContact O-CB 3.27Å; M75-W79 WeakPolarHBondContact O-CB 3.26Å; M75-W79 PolarHBondContact O-N 3.19Å; F76-W79 PolarHBondContact O-N 3.08Å | ||
| 80 | S | 45.5 | Very low | 49.7 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 100% | 1.07 | 58% | 0.581 | S | S | * | * | trans | -107.8 | 0 | -178.6 | -164.2 | 0 | 0 | 0 | 0 | 113.8 | F76 | F76-S80 WeakPolarHBondContact O-CB 3.5Å; F76-S80 PolarHBondContact O-N 3.29Å |
Retrieved 80 of 80 residues in 30.4 ms
(Link to these results)