| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.8 | Very low | 54.7 | Low | 239 Ų | 239 | 144.8 Ų | 144.8 | 100% | 1.177 | 82% | 0.822 | S | S | * | * | 0 | 101 | 0 | -60.7 | -79.1 | -103.4 | 0 | 0 | 105.6 | |||||
| 2 | S | 47.3 | Very low | 55.9 | Low | 117 Ų | 117 | 148.3 Ų | 148.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -70.5 | 131.4 | -172.2 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | T4 | S2-T4 PolarHBondContact O-N 2.64Š| ||
| 3 | L | 52.9 | Low | 56.6 | Low | 175 Ų | 175 | 146.8 Ų | 146.8 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -69.8 | 93.5 | 171.9 | -70.6 | 160.6 | 0 | 0 | 0 | 107.6 | E5 | L3-E5 PolarHBondContact O-N 2.84Š| ||
| 4 | T | 50.8 | Low | 57.4 | Low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -66.9 | 110.4 | 167.2 | 23.1 | 0 | 0 | 0 | 0 | 108.1 | S2 A6 | S2-T4 PolarHBondContact O-N 2.64Å; T4-A6 PolarHBondContact O-N 2.73Å | ||
| 5 | E | 54.8 | Low | 58 | Low | 191 Ų | 191 | 143.1 Ų | 143.1 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -43.4 | 109.3 | 164.5 | -94.4 | 166.6 | 124.1 | 0 | 0 | 109.5 | L3 G7 | L3-E5 PolarHBondContact O-N 2.84Å; E5-G7 PolarHBondContact O-N 3.3Å | ||
| 6 | A | 54.8 | Low | 58.4 | Low | 97 Ų | 97 | 146.6 Ų | 146.6 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -71.6 | 87.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | T4 N8 | T4-A6 PolarHBondContact O-N 2.73Å; A6-N8 PolarHBondContact O-N 3.1Å | ||
| 7 | G | 50.7 | Low | 58.4 | Low | 66 Ų | 66 | 146.8 Ų | 146.8 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -59.9 | 100.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | E5 E9 | E5-G7 PolarHBondContact O-N 3.3Å; G7-E9 VanDerWaalsContact C-N 3.29Å; G7-E9 PolarHBondContact O-N 2.66Å | ||
| 8 | N | 56.7 | Low | 58.1 | Low | 114 Ų | 114 | 146.3 Ų | 146.3 | 61% | 0.61 | 79% | 0.785 | S | S | * | * | trans | -74.5 | 89.5 | 175.8 | -166.5 | 88.5 | 0 | 0 | 0 | 108.1 | A6 F10 | A6-N8 PolarHBondContact O-N 3.1Å; N8-F10 VanDerWaalsContact C-N 3.33Å; N8-F10 HydrophobicContact CB-CE2 4.44Å; N8-F10 VanDerWaalsContact ND2-CD2 3.35Å; N8-F10 WeakPolarHBondContact ND2-CD2 3.39Å; N8-F10 WeakPolarHBondContact ND2-CE1 3.47Å; N8-F10 WeakPolarHBondContact ND2-CE2 3.33Å; N8-F10 WeakPolarHBondContact ND2-CZ 3.07Å; N8-F10 WeakPolarHBondContact O-CD2 3.39Å; N8-F10 PolarHBondContact O-N 2.85Å | ||
| 9 | E | 64 | Low | 58 | Low | 181 Ų | 181 | 142.7 Ų | 142.7 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -61 | 86.6 | 172 | 47.3 | -177.8 | 177.6 | 0 | 0 | 110.4 | G7 S11 | G7-E9 VanDerWaalsContact C-N 3.29Å; G7-E9 PolarHBondContact O-N 2.66Å; E9-S11 PolarHBondContact O-N 3.15Å; E9-S11 VanDerWaalsContact O-N 3.12Å | ||
| 10 | F | 62.9 | Low | 57.7 | Low | 181 Ų | 181 | 140 Ų | 140 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -70.1 | 105.1 | 162.6 | -69 | -77.8 | 0 | 0 | 0 | 107.5 | N8 E12 | N8-F10 VanDerWaalsContact C-N 3.33Å; N8-F10 HydrophobicContact CB-CE2 4.44Å; N8-F10 VanDerWaalsContact ND2-CD2 3.35Å; N8-F10 WeakPolarHBondContact ND2-CD2 3.39Å; N8-F10 WeakPolarHBondContact ND2-CE1 3.47Å; N8-F10 WeakPolarHBondContact ND2-CE2 3.33Å; N8-F10 WeakPolarHBondContact ND2-CZ 3.07Å; N8-F10 WeakPolarHBondContact O-CD2 3.39Å; N8-F10 PolarHBondContact O-N 2.85Å; F10-E12 PolarHBondContact O-N 3.03Å | ||
| 11 | S | 65 | Low | 57.6 | Low | 98 Ų | 98 | 140.3 Ų | 140.3 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | -64.8 | 112.8 | 171.4 | 34.8 | 0 | 0 | 0 | 0 | 109.1 | E9 I13 | E9-S11 PolarHBondContact O-N 3.15Å; E9-S11 VanDerWaalsContact O-N 3.12Å; S11-I13 WeakPolarHBondContact O-CD1 3.03Å; S11-I13 PolarHBondContact O-N 3.5Å | ||
| 12 | E | 68.9 | Low | 58.1 | Low | 186 Ų | 186 | 136.6 Ų | 136.6 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | -62.2 | 106 | 171.2 | -173.5 | 175.3 | 129.5 | 0 | 0 | 108.2 | F10 D14 | F10-E12 PolarHBondContact O-N 3.03Å; E12-D14 PolarHBondContact O-N 2.86Å | ||
| 13 | I | 65.5 | Low | 58 | Low | 130 Ų | 130 | 133.1 Ų | 133.1 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | trans | -75.5 | 106.3 | 173.6 | -64.7 | 110.7 | 0 | 0 | 0 | 107.5 | S11 L15 | S11-I13 WeakPolarHBondContact O-CD1 3.03Å; S11-I13 PolarHBondContact O-N 3.5Å; I13-L15 HydrophobicContact CG2-CD2 3.86Å; I13-L15 HydrophobicContact CG2-CG 4.41Å; I13-L15 PolarHBondContact O-N 2.85Å; I13-L15 VanDerWaalsContact O-N 3.17Å | ||
| 14 | D | 67.6 | Low | 57.7 | Low | 79 Ų | 79 | 129.6 Ų | 129.6 | 42% | 0.422 | 73% | 0.732 | S | S | . | * | trans | -72.8 | 100.7 | 172.2 | -169.2 | -2.9 | 0 | 0 | 0 | 109.2 | E12 R16 | E12-D14 PolarHBondContact O-N 2.86Å; D14-R16 PolarHBondContact O-N 3.47Å; D14-R16 WeakPolarHBondContact OD1-CB 3.38Å; D14-R16 VanDerWaalsContact OD1-CG 3.24Å; D14-R16 WeakPolarHBondContact OD1-CG 3.25Å; D14-R16 IonicContact OD1-CZ 3.7Å; D14-R16 PolarHBondContact OD1-N 2.75Å; D14-R16 IonicContact OD1-NE 3.7Å; D14-R16 PolarHBondContact OD1-NE 3.29Å; D14-R16 IonicContact OD1-NH2 3.96Å; D14-R16 IonicContact OD2-CZ 2.72Å; D14-R16 VanDerWaalsContact OD2-CZ 3.27Å; D14-R16 IonicContact OD2-NE 3.27Å; D14-R16 PolarHBondContact OD2-NE 2.76Å; D14-R16 IonicContact OD2-NH2 3.76Å; D14-R16 PolarHBondContact OD2-NH2 3.22Å | ||
| 15 | L | 65.8 | Low | 57.9 | Low | 159 Ų | 159 | 130.8 Ų | 130.8 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 15.5 | -179.5 | -64.4 | 173 | 0 | 0 | 0 | 113.5 | I13 D17 | I13-L15 HydrophobicContact CG2-CD2 3.86Å; I13-L15 HydrophobicContact CG2-CG 4.41Å; I13-L15 PolarHBondContact O-N 2.85Å; I13-L15 VanDerWaalsContact O-N 3.17Å; L15-D17 PolarHBondContact O-N 3.4Å |
| 16 | R | 64.9 | Low | 57.6 | Low | 199 Ų | 199 | 126.9 Ų | 126.9 | 75% | 0.751 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 11.7 | 173.2 | -71.3 | -175.8 | -73.2 | -176.6 | -2.6 | 113.5 | D14 D18 | D14-R16 PolarHBondContact O-N 3.47Å; D14-R16 WeakPolarHBondContact OD1-CB 3.38Å; D14-R16 VanDerWaalsContact OD1-CG 3.24Å; D14-R16 WeakPolarHBondContact OD1-CG 3.25Å; D14-R16 IonicContact OD1-CZ 3.7Å; D14-R16 PolarHBondContact OD1-N 2.75Å; D14-R16 IonicContact OD1-NE 3.7Å; D14-R16 PolarHBondContact OD1-NE 3.29Å; D14-R16 IonicContact OD1-NH2 3.96Å; D14-R16 IonicContact OD2-CZ 2.72Å; D14-R16 VanDerWaalsContact OD2-CZ 3.27Å; D14-R16 IonicContact OD2-NE 3.27Å; D14-R16 PolarHBondContact OD2-NE 2.76Å; D14-R16 IonicContact OD2-NH2 3.76Å; D14-R16 PolarHBondContact OD2-NH2 3.22Å; R16-D18 PolarHBondContact O-N 3.19Å |
| 17 | D | 58.7 | Low | 57.2 | Low | 149 Ų | 149 | 126.2 Ų | 126.2 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | -62.1 | 90.4 | 163.1 | -78.4 | -24.4 | 0 | 0 | 0 | 108.4 | L15 A19 | L15-D17 PolarHBondContact O-N 3.4Å; D17-A19 PolarHBondContact O-N 2.89Å | ||
| 18 | D | 52.7 | Low | 56.9 | Low | 139 Ų | 139 | 125.4 Ų | 125.4 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | -51.1 | 76.9 | 169.2 | -155 | -6.7 | 0 | 0 | 0 | 107.2 | R16 S20 | R16-D18 PolarHBondContact O-N 3.19Å; D18-S20 PolarHBondContact O-N 2.64Å | ||
| 19 | A | 55.7 | Low | 56.6 | Low | 78 Ų | 78 | 122.5 Ų | 122.5 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | trans | -66.3 | 81.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | D17 I21 | D17-A19 PolarHBondContact O-N 2.89Å; A19-I21 HydrophobicContact CB-CG1 4.48Å; A19-I21 PolarHBondContact O-N 2.98Å | ||
| 20 | S | 51.8 | Low | 56.1 | Low | 87 Ų | 87 | 121.3 Ų | 121.3 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | trans | -56 | 81.2 | 161 | -79.8 | 0 | 0 | 0 | 0 | 106.9 | D18 N22 | D18-S20 PolarHBondContact O-N 2.64Å; S20-N22 PolarHBondContact O-N 2.89Å | ||
| 21 | I | 57.1 | Low | 55.7 | Low | 147 Ų | 147 | 119.7 Ų | 119.7 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -72.1 | 83.5 | 165.7 | -61.5 | 169.3 | 0 | 0 | 0 | 104.2 | A19 G23 | A19-I21 HydrophobicContact CB-CG1 4.48Å; A19-I21 PolarHBondContact O-N 2.98Å; I21-G23 PolarHBondContact O-N 2.99Å | ||
| 22 | N | 50.7 | Low | 55 | Low | 162 Ų | 162 | 121.5 Ų | 121.5 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | trans | -68.5 | 38.5 | 161.3 | -90.9 | -2.6 | 0 | 0 | 0 | 110.3 | S20 A24 | S20-N22 PolarHBondContact O-N 2.89Å; N22-A24 PolarHBondContact O-N 2.97Å | ||
| 23 | G | 46.6 | Very low | 54.1 | Low | 44 Ų | 44 | 116 Ų | 116 | 45% | 0.454 | 69% | 0.686 | S | S | . | * | trans | -76 | 101.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106 | I21 I25 | I21-G23 PolarHBondContact O-N 2.99Å; G23-I25 PolarHBondContact O-N 2.78Å | ||
| 24 | A | 46.2 | Very low | 53.2 | Low | 100 Ų | 100 | 117 Ų | 117 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | -57.9 | 79.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | N22 S26 | N22-A24 PolarHBondContact O-N 2.97Å; A24-S26 PolarHBondContact O-N 3.19Å | ||
| 25 | I | 53.8 | Low | 52.4 | Low | 160 Ų | 160 | 120.8 Ų | 120.8 | 82% | 0.821 | 71% | 0.708 | S | S | * | * | trans | -70.1 | 89.5 | 159.5 | 55.7 | 166.9 | 0 | 0 | 0 | 103.7 | G23 G27 | G23-I25 PolarHBondContact O-N 2.78Å; I25-G27 PolarHBondContact O-N 3.06Å | ||
| 26 | S | 50.2 | Low | 51.8 | Low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -44.1 | 117.8 | 161.7 | 49.7 | 0 | 0 | 0 | 0 | 105.6 | A24 G28 | A24-S26 PolarHBondContact O-N 3.19Å; S26-G28 PolarHBondContact O-N 2.98Å | ||
| 27 | G | 45.6 | Very low | 50.9 | Low | 83 Ų | 83 | 115.2 Ų | 115.2 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | trans | -63 | 77.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I25 S29 | I25-G27 PolarHBondContact O-N 3.06Å; G27-S29 PolarHBondContact O-N 3.44Å; G27-S29 VanDerWaalsContact O-N 3.1Å | ||
| 28 | G | 44.5 | Very low | 50.3 | Low | 49 Ų | 49 | 114.6 Ų | 114.6 | 51% | 0.505 | 70% | 0.7 | S | S | . | * | trans | -61.9 | 109.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 104 | S26 L30 | S26-G28 PolarHBondContact O-N 2.98Å; G28-L30 PolarHBondContact O-N 2.91Å | ||
| 29 | S | 49.6 | Very low | 50 | Low | 54 Ų | 54 | 116.2 Ų | 116.2 | 38% | 0.378 | 71% | 0.705 | S | S | . | * | trans | -50.3 | 135.3 | 169.2 | -175.2 | 0 | 0 | 0 | 0 | 106.7 | G27 E31 E32 | G27-S29 PolarHBondContact O-N 3.44Å; G27-S29 VanDerWaalsContact O-N 3.1Å; S29-E31 PolarHBondContact O-N 3.09Å; S29-E31 VanDerWaalsContact OG-CD 3.23Å; S29-E31 WeakPolarHBondContact OG-CG 3.35Å; S29-E31 PolarHBondContact OG-OE2 2.69Å; S29-E32 PolarHBondContact O-N 2.57Å | ||
| 30 | L | 54.2 | Low | 49.6 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 82% | 0.817 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -15.4 | 175.6 | -124 | 154.5 | 0 | 0 | 0 | 111.7 | G28 | G28-L30 PolarHBondContact O-N 2.91Š|
| 31 | E | 54.6 | Low | 49.3 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -31.4 | 172.5 | -60.6 | 163.9 | 150.4 | 0 | 0 | 114 | S29 | S29-E31 PolarHBondContact O-N 3.09Å; S29-E31 VanDerWaalsContact OG-CD 3.23Å; S29-E31 WeakPolarHBondContact OG-CG 3.35Å; S29-E31 PolarHBondContact OG-OE2 2.69Å |
| 32 | E | 51.1 | Low | 48.8 | Very low | 136 Ų | 136 | 121.4 Ų | 121.4 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -31.6 | 177.8 | -82.8 | -175.6 | 154.8 | 0 | 0 | 112.5 | S29 N34 Q35 | S29-E32 PolarHBondContact O-N 2.57Å; E32-N34 PolarHBondContact O-N 3.23Å; E32-N34 VanDerWaalsContact O-N 3.15Å; E32-Q35 PolarHBondContact O-N 3.49Å |
| 33 | A | 49.9 | Very low | 48.7 | Very low | 70 Ų | 70 | 119.3 Ų | 119.3 | 58% | 0.579 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -63.2 | -21.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 34 | N | 46.5 | Very low | 49.1 | Very low | 152 Ų | 152 | 121.1 Ų | 121.1 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -86.3 | -2.2 | 176.9 | -111.5 | -19 | 0 | 0 | 0 | 114.1 | E32 | E32-N34 PolarHBondContact O-N 3.23Å; E32-N34 VanDerWaalsContact O-N 3.15Å |
| 35 | Q | 49.9 | Very low | 49.2 | Very low | 158 Ų | 158 | 121.6 Ų | 121.6 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -97.1 | 8 | 176.6 | -76 | -172.6 | 52.5 | 0 | 0 | 114.1 | E32 S37 | E32-Q35 PolarHBondContact O-N 3.49Å; Q35-S37 PolarHBondContact O-N 3.01Å |
| 36 | I | 53.8 | Low | 48.9 | Very low | 152 Ų | 152 | 120.9 Ų | 120.9 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -74.2 | 78.1 | 167.6 | -68.7 | 165.7 | 0 | 0 | 0 | 108.7 | V38 | I36-V38 PolarHBondContact O-N 3.42Š|
| 37 | S | 45.8 | Very low | 48.9 | Very low | 89 Ų | 89 | 121 Ų | 121 | 62% | 0.622 | 71% | 0.709 | S | S | * | * | trans | 18.5 | 101.2 | 140.2 | -177 | 0 | 0 | 0 | 0 | 115.9 | Q35 M39 | Q35-S37 PolarHBondContact O-N 3.01Å; S37-M39 PolarHBondContact O-N 3.45Å | ||
| 38 | V | 46.4 | Very low | 49 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | -23.4 | 89.6 | 145 | -172.2 | 0 | 0 | 0 | 0 | 113 | I36 | I36-V38 PolarHBondContact O-N 3.42Š| ||
| 39 | M | 45.5 | Very low | 49.3 | Very low | 173 Ų | 173 | 125.3 Ų | 125.3 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | trans | -151.7 | 135.1 | 153.8 | -87.3 | -153.1 | 142.2 | 0 | 0 | 108.4 | S37 | S37-M39 PolarHBondContact O-N 3.45Š| ||
| 40 | E | 47.3 | Very low | 49.5 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | trans | 81 | 61.1 | -180 | -121.1 | 172.1 | 148.2 | 0 | 0 | 115.3 | D42 | E40-D42 VanDerWaalsContact C-N 3.27Å; E40-D42 PolarHBondContact O-N 3.11Å | ||
| 41 | T | 45.9 | Very low | 49.5 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | trans | -59.9 | 89.9 | 155.7 | -46.2 | 0 | 0 | 0 | 0 | 108.8 | P43 | T41-P43 VanDerWaalsContact O-CD 3.25Å; T41-P43 WeakPolarHBondContact O-CD 3.46Å | ||
| 42 | D | 47.1 | Very low | 49.4 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 52% | 0.519 | 71% | 0.709 | S | S | . | * | trans | -66.7 | 112.8 | 160.7 | -172.5 | -14.7 | 0 | 0 | 0 | 107.2 | E40 A44 V45 | E40-D42 VanDerWaalsContact C-N 3.27Å; E40-D42 PolarHBondContact O-N 3.11Å; D42-A44 PolarHBondContact O-N 3.45Å; D42-A44 WeakPolarHBondContact OD1-CB 3.27Å; D42-A44 PolarHBondContact OD1-N 2.82Å; D42-A44 VanDerWaalsContact OD1-N 3.09Å; D42-V45 PolarHBondContact O-N 3.13Å | ||
| 43 | P | 49.5 | Very low | 49.2 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -4.1 | -178.4 | 28.3 | -35.1 | 0 | 0 | 0 | 113.3 | T41 V45 | T41-P43 VanDerWaalsContact O-CD 3.25Å; T41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-V45 VanDerWaalsContact C-N 3.33Å |
| 44 | A | 53.8 | Low | 49.1 | Very low | 81 Ų | 81 | 128 Ų | 128 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -19.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D42 L46 | D42-A44 PolarHBondContact O-N 3.45Å; D42-A44 WeakPolarHBondContact OD1-CB 3.27Å; D42-A44 PolarHBondContact OD1-N 2.82Å; D42-A44 VanDerWaalsContact OD1-N 3.09Å; A44-L46 PolarHBondContact O-N 3.35Å |
| 45 | V | 48.5 | Very low | 49.2 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 67% | 0.673 | 72% | 0.719 | S | S | * | * | trans | -92.9 | 76.2 | 177.1 | -166.8 | 0 | 0 | 0 | 0 | 108.3 | D42 P43 P47 | D42-V45 PolarHBondContact O-N 3.13Å; P43-V45 VanDerWaalsContact C-N 3.33Å; V45-P47 WeakPolarHBondContact O-CD 3.26Å; V45-P47 VanDerWaalsContact O-N 3.13Å | ||
| 46 | L | 47.3 | Very low | 49.2 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | -52.8 | 123 | 161.5 | -75.3 | 170.4 | 0 | 0 | 0 | 106.3 | A44 L48 | A44-L46 PolarHBondContact O-N 3.35Å; L46-L48 PolarHBondContact O-N 2.95Å | ||
| 47 | P | 49.8 | Very low | 48.8 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | trans | -52.7 | 122.4 | 174.8 | 21 | -30.3 | 0 | 0 | 0 | 105.6 | V45 S49 | V45-P47 WeakPolarHBondContact O-CD 3.26Å; V45-P47 VanDerWaalsContact O-N 3.13Å; P47-S49 PolarHBondContact O-N 3.32Å | ||
| 48 | L | 48.5 | Very low | 48.7 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -55.3 | 94.1 | 166.7 | -76.8 | 168.8 | 0 | 0 | 0 | 104.2 | L46 E50 A52 | L46-L48 PolarHBondContact O-N 2.95Å; L48-E50 PolarHBondContact O-N 2.97Å; L48-A52 HydrophobicContact CD2-CB 4.39Å | ||
| 49 | S | 51.5 | Low | 48.5 | Very low | 73 Ų | 73 | 127.9 Ų | 127.9 | 51% | 0.51 | 72% | 0.72 | S | S | . | * | trans | -50.5 | 134 | -179 | 56.5 | 0 | 0 | 0 | 0 | 105.2 | P47 A51 A52 | P47-S49 PolarHBondContact O-N 3.32Å; S49-A51 CarbonylContact O-C 3.55Å; S49-A51 PolarHBondContact O-N 3.48Å; S49-A52 PolarHBondContact O-N 3.06Å | ||
| 50 | E | 53.6 | Low | 48.2 | Very low | 183 Ų | 183 | 124.8 Ų | 124.8 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -49.8 | -17.3 | -176.8 | -70.3 | 168.1 | 137.8 | 0 | 0 | 113.1 | L48 A52 C53 | L48-E50 PolarHBondContact O-N 2.97Å; E50-A52 PolarHBondContact O-N 2.72Å; E50-C53 PolarHBondContact O-N 2.72Å |
| 51 | A | 52.6 | Low | 47.8 | Very low | 71 Ų | 71 | 118.2 Ų | 118.2 | 59% | 0.587 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -51.6 | -32.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S49 C53 R54 | S49-A51 CarbonylContact O-C 3.55Å; S49-A51 PolarHBondContact O-N 3.48Å; A51-C53 VanDerWaalsContact C-N 3.33Å; A51-R54 PolarHBondContact O-N 2.84Å |
| 52 | A | 53.8 | Low | 47.8 | Very low | 62 Ų | 62 | 116.7 Ų | 116.7 | 51% | 0.512 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -74.5 | -21.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L48 S49 E50 R54 | L48-A52 HydrophobicContact CD2-CB 4.39Å; S49-A52 PolarHBondContact O-N 3.06Å; E50-A52 PolarHBondContact O-N 2.72Å; A52-R54 VanDerWaalsContact C-N 3.27Å; A52-R54 PolarHBondContact O-N 2.85Å |
| 53 | C | 47.4 | Very low | 47.9 | Very low | 106 Ų | 106 | 114.2 Ų | 114.2 | 72% | 0.716 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -88.4 | 12.5 | 175.3 | -71 | 0 | 0 | 0 | 0 | 113.1 | E50 A51 P55 | E50-C53 PolarHBondContact O-N 2.72Å; A51-C53 VanDerWaalsContact C-N 3.33Å; C53-P55 WeakPolarHBondContact O-CD 3.43Å |
| 54 | R | 46.6 | Very low | 48.1 | Very low | 197 Ų | 197 | 115.9 Ų | 115.9 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -65.4 | 125 | 164.5 | -82 | -174.2 | 172.8 | 177.7 | -0.1 | 107.5 | A51 A52 V56 | A51-R54 PolarHBondContact O-N 2.84Å; A52-R54 VanDerWaalsContact C-N 3.27Å; A52-R54 PolarHBondContact O-N 2.85Å; R54-V56 PolarHBondContact O-N 3.19Å |
| 55 | P | 48.2 | Very low | 48.3 | Very low | 121 Ų | 121 | 116.3 Ų | 116.3 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | trans | -54.3 | 111.7 | 168.3 | 21.8 | -30.3 | 0 | 0 | 0 | 106.5 | C53 K57 | C53-P55 WeakPolarHBondContact O-CD 3.43Å; P55-K57 VanDerWaalsContact C-N 3.3Å; P55-K57 PolarHBondContact O-N 3.1Å | ||
| 56 | V | 50.7 | Low | 48.8 | Very low | 133 Ų | 133 | 115.7 Ų | 115.7 | 81% | 0.806 | 66% | 0.655 | S | S | * | * | trans | -63.9 | 103.1 | 174 | -180 | 0 | 0 | 0 | 0 | 104 | R54 P58 | R54-V56 PolarHBondContact O-N 3.19Å; V56-P58 WeakPolarHBondContact O-CD 3.32Å; V56-P58 VanDerWaalsContact O-N 3.09Å | ||
| 57 | K | 44.6 | Very low | 49.4 | Very low | 175 Ų | 175 | 110.2 Ų | 110.2 | 76% | 0.761 | 63% | 0.626 | S | S | * | * | trans | -56 | 121.8 | 173 | 178.8 | 172.6 | 179.1 | 168 | 0 | 105 | P55 Q59 | P55-K57 VanDerWaalsContact C-N 3.3Å; P55-K57 PolarHBondContact O-N 3.1Å; K57-Q59 VanDerWaalsContact C-N 3.34Å; K57-Q59 PolarHBondContact O-N 3.36Å | ||
| 58 | P | 44.7 | Very low | 50 | Low | 114 Ų | 114 | 113 Ų | 113 | 74% | 0.74 | 62% | 0.622 | S | S | * | * | trans | -58 | 106.1 | 176.9 | 20.3 | -29.4 | 0 | 0 | 0 | 106.8 | V56 | V56-P58 WeakPolarHBondContact O-CD 3.32Å; V56-P58 VanDerWaalsContact O-N 3.09Å | ||
| 59 | Q | 41.7 | Very low | 50.4 | Low | 143 Ų | 143 | 112 Ų | 112 | 67% | 0.668 | 62% | 0.622 | S | S | * | * | trans | -89.7 | 114.1 | 175.4 | -146.8 | 166.5 | 21.8 | 0 | 0 | 104.3 | K57 L61 | K57-Q59 VanDerWaalsContact C-N 3.34Å; K57-Q59 PolarHBondContact O-N 3.36Å; Q59-L61 VanDerWaalsContact C-N 3.3Å; Q59-L61 HydrophobicContact CB-CG 4.41Å; Q59-L61 HydrophobicContact CG-CD2 4.33Å; Q59-L61 PolarHBondContact O-N 3.02Å | ||
| 60 | T | 39.2 | Very low | 50.8 | Low | 108 Ų | 108 | 112.1 Ų | 112.1 | 66% | 0.663 | 64% | 0.635 | S | S | * | * | trans | -70.1 | 97.8 | 169.7 | -54.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 61 | L | 39.2 | Very low | 51.4 | Low | 57 Ų | 57 | 106 Ų | 106 | 30% | 0.298 | 61% | 0.606 | S | S | . | * | trans | -92.3 | 112.5 | 169.1 | -65.9 | 175.9 | 0 | 0 | 0 | 106 | Q59 L63 G87 E88 | Q59-L61 VanDerWaalsContact C-N 3.3Å; Q59-L61 HydrophobicContact CB-CG 4.41Å; Q59-L61 HydrophobicContact CG-CD2 4.33Å; Q59-L61 PolarHBondContact O-N 3.02Å; L61-L63 PolarHBondContact O-N 3.15Å; L61-G87 WeakPolarHBondContact CD1-O 3.4Å; L61-E88 WeakPolarHBondContact CB-O 3.48Å; L61-E88 VanDerWaalsContact CD1-CA 3.47Å | ||
| 62 | S | 45.9 | Very low | 52.4 | Low | 96 Ų | 96 | 104.7 Ų | 104.7 | 67% | 0.671 | 59% | 0.592 | S | S | * | * | trans | -69.5 | 125.7 | -179.7 | -159.8 | 0 | 0 | 0 | 0 | 107.7 | N64 | S62-N64 PolarHBondContact O-N 3.23Å; S62-N64 VanDerWaalsContact O-N 3.11Å | ||
| 63 | L | 49.3 | Very low | 53.2 | Low | 45 Ų | 45 | 103 Ų | 103 | 24% | 0.236 | 58% | 0.579 | C | S | . | * | trans | -58 | 118.2 | 170.1 | -65.6 | 175.9 | 0 | 0 | 0 | 108.6 | L61 D65 E83 I89 D93 S97 | L61-L63 PolarHBondContact O-N 3.15Å; L63-D65 VanDerWaalsContact C-N 3.27Å; L63-E83 WeakPolarHBondContact CD2-OE2 3.21Å; L63-I89 HydrophobicContact CD1-CD1 4.09Å; L63-I89 HydrophobicContact CD2-CB 4.31Å; L63-I89 HydrophobicContact CD2-CD1 3.95Å; L63-I89 HydrophobicContact CD2-CG1 3.95Å; L63-I89 HydrophobicContact CG-CD1 4.4Å; L63-I89 HydrophobicContact CG-CG1 4.39Å; L63-D93 HydrophobicContact CD1-CB 4.5Å; L63-S97 WeakPolarHBondContact CD1-OG 3.49Å | ||
| 64 | N | 53.7 | Low | 54.7 | Low | 154 Ų | 154 | 104.6 Ų | 104.6 | 82% | 0.824 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -75.3 | -23.5 | 171.7 | -73.3 | -52.5 | 0 | 0 | 0 | 111.3 | S62 P66 | S62-N64 PolarHBondContact O-N 3.23Å; S62-N64 VanDerWaalsContact O-N 3.11Å; N64-P66 VanDerWaalsContact O-CD 3.27Å; N64-P66 WeakPolarHBondContact O-CD 3.41Å |
| 65 | D | 57.4 | Low | 56.1 | Low | 89 Ų | 89 | 100.8 Ų | 100.8 | 48% | 0.476 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -107.8 | 97.3 | -178.5 | -82 | -38.7 | 0 | 0 | 0 | 111.2 | L63 I67 R79 | L63-D65 VanDerWaalsContact C-N 3.27Å; D65-I67 PolarHBondContact O-N 2.92Å; D65-R79 PolarHBondContact O-NH1 3.23Å; D65-R79 PolarHBondContact O-NH2 3.13Å |
| 66 | P | 59.5 | Low | 57.5 | Low | 99 Ų | 99 | 95.3 Ų | 95.3 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 140 | 168.4 | 24.9 | -32.6 | 0 | 0 | 0 | 109.1 | N64 R68 | N64-P66 VanDerWaalsContact O-CD 3.27Å; N64-P66 WeakPolarHBondContact O-CD 3.41Å; P66-R68 PolarHBondContact O-N 2.88Å; P66-R68 VanDerWaalsContact O-N 3.11Å |
| 67 | I | 60.2 | Low | 58.8 | Low | 29 Ų | 29 | 93.1 Ų | 93.1 | 15% | 0.149 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 120.7 | 171.8 | -62.1 | 169.8 | 0 | 0 | 0 | 107.8 | D65 I76 Y100 | D65-I67 PolarHBondContact O-N 2.92Å; I67-I76 HydrophobicContact CD1-CG2 4.2Å; I67-I76 HydrophobicContact CG1-CG2 4.33Å; I67-I76 HydrophobicContact CG2-CD1 3.54Å; I67-I76 HydrophobicContact CG2-CG1 4.05Å; I67-Y100 HydrophobicContact CB-CD1 4.18Å; I67-Y100 HydrophobicContact CB-CE1 4.13Å; I67-Y100 HydrophobicContact CD1-CD1 3.63Å; I67-Y100 HydrophobicContact CD1-CE1 4.43Å; I67-Y100 HydrophobicContact CD1-CG 4.09Å; I67-Y100 HydrophobicContact CG2-CD1 3.88Å; I67-Y100 HydrophobicContact CG2-CE1 3.65Å |
| 68 | R | 61.2 | Low | 60.5 | Low | 167 Ų | 167 | 87.6 Ų | 87.6 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 131.9 | -178.5 | -65.3 | -177.2 | 178.7 | -177 | 4.1 | 108.2 | P66 G70 E71 | P66-R68 PolarHBondContact O-N 2.88Å; P66-R68 VanDerWaalsContact O-N 3.11Å; R68-G70 PolarHBondContact O-N 3.46Å; R68-G70 VanDerWaalsContact O-N 3.15Å; R68-E71 HydrophobicContact CB-CG 4.01Å; R68-E71 PolarHBondContact N-OE2 3.02Å; R68-E71 PolarHBondContact O-N 2.86Å; R68-E71 VanDerWaalsContact O-N 3.15Å |
| 69 | V | 56.9 | Low | 62 | Low | 130 Ų | 130 | 84.4 Ų | 84.4 | 79% | 0.788 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 120.5 | 172.9 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | ||
| 70 | G | 61 | Low | 63.6 | Low | 75 Ų | 75 | 77.8 Ų | 77.8 | 77% | 0.773 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.5 | -3.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R68 | R68-G70 PolarHBondContact O-N 3.46Å; R68-G70 VanDerWaalsContact O-N 3.15Å |
| 71 | E | 65.6 | Low | 65.4 | Low | 56 Ų | 56 | 79.1 Ų | 79.1 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | trans | -67 | 141.5 | 166.6 | -70.7 | 176.1 | 155.9 | 0 | 0 | 110.1 | R68 I76 R79 | R68-E71 HydrophobicContact CB-CG 4.01Å; R68-E71 PolarHBondContact N-OE2 3.02Å; R68-E71 PolarHBondContact O-N 2.86Å; R68-E71 VanDerWaalsContact O-N 3.15Å; E71-I76 HydrophobicContact CB-CD1 4.04Å; E71-I76 HydrophobicContact CB-CG1 3.79Å; E71-R79 IonicContact OE2-NH2 3.04Å | ||
| 72 | S | 72.8 | Confident | 67.2 | Low | 42 Ų | 42 | 79.1 Ų | 79.1 | 29% | 0.294 | 44% | 0.443 | S | S | . | . | trans | -70.8 | 152 | 174.7 | 101 | 0 | 0 | 0 | 0 | 110.2 | E74 E75 I76 | S72-E74 VanDerWaalsContact CB-OE2 3.3Å; S72-E74 WeakPolarHBondContact CB-OE2 3.34Å; S72-E74 PolarHBondContact O-N 3.45Å; S72-E74 PolarHBondContact OG-N 2.87Å; S72-E74 PolarHBondContact OG-OE2 2.9Å; S72-E75 PolarHBondContact N-OE2 3.46Å; S72-E75 WeakPolarHBondContact O-CB 3.43Å; S72-E75 PolarHBondContact O-N 3.35Å; S72-E75 VanDerWaalsContact O-N 3.09Å; S72-E75 PolarHBondContact OG-N 3.46Å; S72-I76 WeakPolarHBondContact O-CG1 3.36Å; S72-I76 PolarHBondContact O-N 2.84Å | ||
| 73 | A | 72.2 | Confident | 68.6 | Low | 28 Ų | 28 | 75.7 Ų | 75.7 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56.1 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E75 I76 F77 V101 | A73-E75 PolarHBondContact O-N 3.07Å; A73-I76 PolarHBondContact O-N 3.39Å; A73-F77 HydrophobicContact CB-CE2 4.39Å; A73-F77 WeakPolarHBondContact O-CD2 3.01Å; A73-F77 PolarHBondContact O-N 3.04Å; A73-V101 HydrophobicContact CB-CG1 3.76Å |
| 74 | E | 77.5 | Confident | 69.7 | Low | 138 Ų | 138 | 76.8 Ų | 76.8 | 65% | 0.645 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 177 | -57.1 | 78.9 | -172.4 | 0 | 0 | 112.5 | S72 I76 F77 A78 | S72-E74 VanDerWaalsContact CB-OE2 3.3Å; S72-E74 WeakPolarHBondContact CB-OE2 3.34Å; S72-E74 PolarHBondContact O-N 3.45Å; S72-E74 PolarHBondContact OG-N 2.87Å; S72-E74 PolarHBondContact OG-OE2 2.9Å; E74-I76 VanDerWaalsContact C-N 3.34Å; E74-F77 PolarHBondContact O-N 2.84Å; E74-A78 WeakPolarHBondContact O-CB 3.5Å; E74-A78 PolarHBondContact O-N 2.69Å |
| 75 | E | 77.6 | Confident | 70.7 | Confident | 117 Ų | 117 | 75.6 Ų | 75.6 | 55% | 0.547 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 176.1 | -69.8 | 174.4 | 153.9 | 0 | 0 | 111.4 | S72 A73 A78 R79 | S72-E75 PolarHBondContact N-OE2 3.46Å; S72-E75 WeakPolarHBondContact O-CB 3.43Å; S72-E75 PolarHBondContact O-N 3.35Å; S72-E75 VanDerWaalsContact O-N 3.09Å; S72-E75 PolarHBondContact OG-N 3.46Å; A73-E75 PolarHBondContact O-N 3.07Å; E75-A78 PolarHBondContact O-N 3.16Å; E75-R79 WeakPolarHBondContact O-CB 3.21Å; E75-R79 PolarHBondContact O-N 3Å |
| 76 | I | 76.3 | Confident | 71.6 | Confident | 7 Ų | 7 | 76.9 Ų | 76.9 | 4% | 0.036 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 178.1 | -60.1 | 163.9 | 0 | 0 | 0 | 110.3 | I67 E71 S72 A73 E74 R79 L80 V101 | I67-I76 HydrophobicContact CD1-CG2 4.2Å; I67-I76 HydrophobicContact CG1-CG2 4.33Å; I67-I76 HydrophobicContact CG2-CD1 3.54Å; I67-I76 HydrophobicContact CG2-CG1 4.05Å; E71-I76 HydrophobicContact CB-CD1 4.04Å; E71-I76 HydrophobicContact CB-CG1 3.79Å; S72-I76 WeakPolarHBondContact O-CG1 3.36Å; S72-I76 PolarHBondContact O-N 2.84Å; A73-I76 PolarHBondContact O-N 3.39Å; E74-I76 VanDerWaalsContact C-N 3.34Å; I76-R79 PolarHBondContact O-N 2.72Å; I76-L80 HydrophobicContact CG2-CD1 3.97Å; I76-L80 HydrophobicContact CG2-CG 4.28Å; I76-L80 WeakPolarHBondContact O-CB 3.26Å; I76-L80 VanDerWaalsContact O-CG 3.29Å; I76-L80 WeakPolarHBondContact O-CG 3.4Å; I76-L80 PolarHBondContact O-N 2.95Å; I76-V101 HydrophobicContact CB-CG2 3.94Å; I76-V101 HydrophobicContact CD1-CG2 3.8Å; I76-V101 HydrophobicContact CG1-CG2 4.46Å; I76-V101 HydrophobicContact CG2-CG2 3.4Å; I76-V101 VanDerWaalsContact CG2-CG2 3.4Å |
| 77 | F | 78.2 | Confident | 72.2 | Confident | 86 Ų | 86 | 74.6 Ų | 74.6 | 38% | 0.377 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.9 | -76.9 | -62.5 | 0 | 0 | 0 | 112.3 | A73 E74 R79 L80 E81 V98 V101 | A73-F77 HydrophobicContact CB-CE2 4.39Å; A73-F77 WeakPolarHBondContact O-CD2 3.01Å; A73-F77 PolarHBondContact O-N 3.04Å; E74-F77 PolarHBondContact O-N 2.84Å; F77-R79 VanDerWaalsContact C-N 3.28Å; F77-R79 PolarHBondContact O-N 3.34Å; F77-L80 PolarHBondContact O-N 3.46Å; F77-E81 WeakPolarHBondContact O-CB 3.31Å; F77-E81 WeakPolarHBondContact O-CG 3.5Å; F77-E81 PolarHBondContact O-N 3.43Å; F77-V98 HydrophobicContact CE1-CG1 4.41Å; F77-V98 HydrophobicContact CE1-CG2 4.18Å; F77-V101 HydrophobicContact CE2-CG1 3.83Å; F77-V101 HydrophobicContact CZ-CG1 4.06Å |
| 78 | A | 80.4 | Confident | 72.8 | Confident | 59 Ų | 59 | 78 Ų | 78 | 49% | 0.488 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E74 E75 S82 | E74-A78 WeakPolarHBondContact O-CB 3.5Å; E74-A78 PolarHBondContact O-N 2.69Å; E75-A78 PolarHBondContact O-N 3.16Å; A78-S82 PolarHBondContact O-N 3.3Å; A78-S82 VanDerWaalsContact O-N 3.16Å |
| 79 | R | 76.3 | Confident | 73.3 | Confident | 47 Ų | 47 | 71 Ų | 71 | 18% | 0.177 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 173.9 | -178.7 | 170.3 | 66 | 108.2 | -16.1 | 111.8 | D65 E71 E75 I76 F77 E81 S82 E83 | D65-R79 PolarHBondContact O-NH1 3.23Å; D65-R79 PolarHBondContact O-NH2 3.13Å; E71-R79 IonicContact OE2-NH2 3.04Å; E75-R79 WeakPolarHBondContact O-CB 3.21Å; E75-R79 PolarHBondContact O-N 3Å; I76-R79 PolarHBondContact O-N 2.72Å; F77-R79 VanDerWaalsContact C-N 3.28Å; F77-R79 PolarHBondContact O-N 3.34Å; R79-E81 VanDerWaalsContact C-N 3.3Å; R79-E81 PolarHBondContact O-N 3.29Å; R79-S82 WeakPolarHBondContact O-CA 3.24Å; R79-S82 WeakPolarHBondContact O-CB 3.33Å; R79-S82 PolarHBondContact O-N 3.17Å; R79-E83 HydrophobicContact CG-CG 4.31Å; R79-E83 WeakPolarHBondContact CG-OE1 3.49Å; R79-E83 IonicContact CZ-OE1 2.84Å; R79-E83 IonicContact NE-OE1 3.91Å; R79-E83 IonicContact NH1-OE1 2.86Å; R79-E83 PolarHBondContact NH1-OE1 3.43Å; R79-E83 WeakPolarHBondContact O-CG 3.48Å; R79-E83 PolarHBondContact O-N 2.72Å |
| 80 | L | 76.4 | Confident | 74.1 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 178.8 | -70.9 | 173.3 | 0 | 0 | 0 | 111.6 | I76 F77 S82 E83 V84 I89 L94 V98 | I76-L80 HydrophobicContact CG2-CD1 3.97Å; I76-L80 HydrophobicContact CG2-CG 4.28Å; I76-L80 WeakPolarHBondContact O-CB 3.26Å; I76-L80 VanDerWaalsContact O-CG 3.29Å; I76-L80 WeakPolarHBondContact O-CG 3.4Å; I76-L80 PolarHBondContact O-N 2.95Å; F77-L80 PolarHBondContact O-N 3.46Å; L80-S82 VanDerWaalsContact C-N 3.32Å; L80-S82 PolarHBondContact O-N 2.92Å; L80-E83 PolarHBondContact O-N 2.88Å; L80-V84 WeakPolarHBondContact O-CB 3.38Å; L80-V84 WeakPolarHBondContact O-CG2 3.4Å; L80-V84 PolarHBondContact O-N 3.24Å; L80-I89 HydrophobicContact CD2-CD1 3.54Å; L80-L94 HydrophobicContact CB-CD1 4.14Å; L80-L94 HydrophobicContact CD1-CD1 4.36Å; L80-L94 HydrophobicContact CD2-CD1 4.23Å; L80-L94 HydrophobicContact CG-CD1 4.48Å; L80-V98 HydrophobicContact CD1-CG2 4.16Å |
| 81 | E | 76.3 | Confident | 74.5 | Confident | 137 Ų | 137 | 64.4 Ų | 64.4 | 64% | 0.64 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59 | -44.5 | 173.5 | -77.2 | -175.8 | 171.8 | 0 | 0 | 111.4 | F77 R79 V84 V85 | F77-E81 WeakPolarHBondContact O-CB 3.31Å; F77-E81 WeakPolarHBondContact O-CG 3.5Å; F77-E81 PolarHBondContact O-N 3.43Å; R79-E81 VanDerWaalsContact C-N 3.3Å; R79-E81 PolarHBondContact O-N 3.29Å; E81-V84 PolarHBondContact O-N 3.3Å; E81-V85 WeakPolarHBondContact O-CB 3.46Å; E81-V85 WeakPolarHBondContact O-CG2 3.29Å; E81-V85 PolarHBondContact O-N 3.06Å |
| 82 | S | 76.8 | Confident | 75 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.7 | -161.5 | 0 | 0 | 0 | 0 | 112.2 | A78 R79 L80 V84 V85 Q86 | A78-S82 PolarHBondContact O-N 3.3Å; A78-S82 VanDerWaalsContact O-N 3.16Å; R79-S82 WeakPolarHBondContact O-CA 3.24Å; R79-S82 WeakPolarHBondContact O-CB 3.33Å; R79-S82 PolarHBondContact O-N 3.17Å; L80-S82 VanDerWaalsContact C-N 3.32Å; L80-S82 PolarHBondContact O-N 2.92Å; S82-V84 PolarHBondContact O-N 2.96Å; S82-V85 PolarHBondContact O-N 3.01Å; S82-Q86 WeakPolarHBondContact O-CB 3.28Å; S82-Q86 VanDerWaalsContact O-CG 3.26Å; S82-Q86 WeakPolarHBondContact O-CG 3.4Å; S82-Q86 PolarHBondContact O-N 3.46Å; S82-Q86 PolarHBondContact OG-NE2 3.04Å |
| 83 | E | 74.8 | Confident | 75.1 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 11% | 0.112 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 179.6 | -68.7 | 172.3 | -178.8 | 0 | 0 | 111.6 | L63 R79 L80 G87 E88 I89 | L63-E83 WeakPolarHBondContact CD2-OE2 3.21Å; R79-E83 HydrophobicContact CG-CG 4.31Å; R79-E83 WeakPolarHBondContact CG-OE1 3.49Å; R79-E83 IonicContact CZ-OE1 2.84Å; R79-E83 IonicContact NE-OE1 3.91Å; R79-E83 IonicContact NH1-OE1 2.86Å; R79-E83 PolarHBondContact NH1-OE1 3.43Å; R79-E83 WeakPolarHBondContact O-CG 3.48Å; R79-E83 PolarHBondContact O-N 2.72Å; L80-E83 PolarHBondContact O-N 2.88Å; E83-G87 PolarHBondContact O-N 3.23Å; E83-G87 VanDerWaalsContact O-N 3.13Å; E83-E88 PolarHBondContact O-N 3.08Å; E83-I89 HydrophobicContact CB-CB 4.05Å; E83-I89 HydrophobicContact CB-CG2 3.98Å |
| 84 | V | 72.8 | Confident | 75.3 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 42% | 0.418 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | L80 E81 S82 Q86 G87 I89 L94 | L80-V84 WeakPolarHBondContact O-CB 3.38Å; L80-V84 WeakPolarHBondContact O-CG2 3.4Å; L80-V84 PolarHBondContact O-N 3.24Å; E81-V84 PolarHBondContact O-N 3.3Å; S82-V84 PolarHBondContact O-N 2.96Å; V84-Q86 VanDerWaalsContact C-N 3.31Å; V84-Q86 PolarHBondContact O-N 3.36Å; V84-G87 PolarHBondContact O-N 3.11Å; V84-I89 HydrophobicContact CB-CG2 4.11Å; V84-I89 HydrophobicContact CG2-CG2 3.39Å; V84-L94 HydrophobicContact CG2-CD1 3.8Å; V84-L94 HydrophobicContact CG2-CD2 3.81Å; V84-L94 HydrophobicContact CG2-CG 4.34Å |
| 85 | V | 75.5 | Confident | 75.2 | Confident | 129 Ų | 129 | 69.1 Ų | 69.1 | 78% | 0.782 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.7 | -37.5 | -179.9 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | E81 S82 G87 | E81-V85 WeakPolarHBondContact O-CB 3.46Å; E81-V85 WeakPolarHBondContact O-CG2 3.29Å; E81-V85 PolarHBondContact O-N 3.06Å; S82-V85 PolarHBondContact O-N 3.01Å; V85-G87 PolarHBondContact O-N 3.38Å |
| 86 | Q | 75.5 | Confident | 75.2 | Confident | 116 Ų | 116 | 67.5 Ų | 67.5 | 54% | 0.542 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -9.4 | 175.4 | -65.7 | 179.9 | 47.4 | 0 | 0 | 112.6 | S82 V84 E88 | S82-Q86 WeakPolarHBondContact O-CB 3.28Å; S82-Q86 VanDerWaalsContact O-CG 3.26Å; S82-Q86 WeakPolarHBondContact O-CG 3.4Å; S82-Q86 PolarHBondContact O-N 3.46Å; S82-Q86 PolarHBondContact OG-NE2 3.04Å; V84-Q86 VanDerWaalsContact C-N 3.31Å; V84-Q86 PolarHBondContact O-N 3.36Å; Q86-E88 HydrophobicContact CB-CB 4.35Å; Q86-E88 HydrophobicContact CB-CG 3.77Å; Q86-E88 PolarHBondContact O-N 2.93Å; Q86-E88 PolarHBondContact OE1-OE2 3.28Å |
| 87 | G | 71.9 | Confident | 75.2 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 52% | 0.515 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 24 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L61 E83 V84 V85 | L61-G87 WeakPolarHBondContact CD1-O 3.4Å; E83-G87 PolarHBondContact O-N 3.23Å; E83-G87 VanDerWaalsContact O-N 3.13Å; V84-G87 PolarHBondContact O-N 3.11Å; V85-G87 PolarHBondContact O-N 3.38Å |
| 88 | E | 72.3 | Confident | 75.2 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 48% | 0.477 | 37% | 0.372 | S | S | . | . | trans | -90.4 | -3.2 | -175.8 | -70.4 | -167 | 153.5 | 0 | 0 | 113.9 | L61 E83 Q86 | L61-E88 WeakPolarHBondContact CB-O 3.48Å; L61-E88 VanDerWaalsContact CD1-CA 3.47Å; E83-E88 PolarHBondContact O-N 3.08Å; Q86-E88 HydrophobicContact CB-CB 4.35Å; Q86-E88 HydrophobicContact CB-CG 3.77Å; Q86-E88 PolarHBondContact O-N 2.93Å; Q86-E88 PolarHBondContact OE1-OE2 3.28Å | ||
| 89 | I | 71.6 | Confident | 75.1 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 9% | 0.092 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -126.7 | 138 | 179.6 | -168.6 | 175 | 0 | 0 | 0 | 111 | L63 L80 E83 V84 D93 L94 | L63-I89 HydrophobicContact CD1-CD1 4.09Å; L63-I89 HydrophobicContact CD2-CB 4.31Å; L63-I89 HydrophobicContact CD2-CD1 3.95Å; L63-I89 HydrophobicContact CD2-CG1 3.95Å; L63-I89 HydrophobicContact CG-CD1 4.4Å; L63-I89 HydrophobicContact CG-CG1 4.39Å; L80-I89 HydrophobicContact CD2-CD1 3.54Å; E83-I89 HydrophobicContact CB-CB 4.05Å; E83-I89 HydrophobicContact CB-CG2 3.98Å; V84-I89 HydrophobicContact CB-CG2 4.11Å; V84-I89 HydrophobicContact CG2-CG2 3.39Å; I89-D93 HydrophobicContact CD1-CB 4.37Å; I89-D93 HydrophobicContact CG1-CB 3.83Å; I89-L94 HydrophobicContact CD1-CB 4.04Å; I89-L94 HydrophobicContact CD1-CD1 4.3Å; I89-L94 HydrophobicContact CG1-CB 4.43Å |
| 90 | S | 73.4 | Confident | 75.1 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | trans | -79.3 | 152.4 | 174.5 | 90.5 | 0 | 0 | 0 | 0 | 111.4 | R92 D93 L94 | S90-R92 PolarHBondContact O-N 3.41Å; S90-R92 VanDerWaalsContact O-N 3.15Å; S90-R92 PolarHBondContact OG-N 3.18Å; S90-D93 WeakPolarHBondContact CB-OD2 3.38Å; S90-D93 PolarHBondContact O-N 2.99Å; S90-D93 PolarHBondContact OG-N 3.4Å; S90-D93 PolarHBondContact OG-OD2 3.28Å; S90-L94 PolarHBondContact O-N 2.85Å | ||
| 91 | G | 70.9 | Confident | 74.9 | Confident | 55 Ų | 55 | 70.1 Ų | 70.1 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58 | -30.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V95 | G91-V95 VanDerWaalsContact O-CG2 3.32Å; G91-V95 WeakPolarHBondContact O-CG2 3.34Å; G91-V95 PolarHBondContact O-N 3.27Å |
| 92 | R | 74.6 | Confident | 74.7 | Confident | 192 Ų | 192 | 67.3 Ų | 67.3 | 73% | 0.725 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.9 | -42.6 | 174.4 | -179.5 | 179.7 | 179.6 | 179 | -1.9 | 111.7 | S90 V95 N96 | S90-R92 PolarHBondContact O-N 3.41Å; S90-R92 VanDerWaalsContact O-N 3.15Å; S90-R92 PolarHBondContact OG-N 3.18Å; R92-V95 PolarHBondContact O-N 2.89Å; R92-N96 PolarHBondContact O-N 3.48Å; R92-N96 VanDerWaalsContact O-N 3.1Å |
| 93 | D | 75.1 | Confident | 74.5 | Confident | 34 Ų | 34 | 67.7 Ų | 67.7 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.2 | -37.9 | -178.7 | -59.7 | -40.8 | 0 | 0 | 0 | 110.6 | L63 I89 S90 V95 N96 S97 | L63-D93 HydrophobicContact CD1-CB 4.5Å; I89-D93 HydrophobicContact CD1-CB 4.37Å; I89-D93 HydrophobicContact CG1-CB 3.83Å; S90-D93 WeakPolarHBondContact CB-OD2 3.38Å; S90-D93 PolarHBondContact O-N 2.99Å; S90-D93 PolarHBondContact OG-N 3.4Å; S90-D93 PolarHBondContact OG-OD2 3.28Å; D93-V95 PolarHBondContact O-N 3.5Å; D93-N96 PolarHBondContact O-N 3.02Å; D93-S97 WeakPolarHBondContact O-CB 3.03Å; D93-S97 PolarHBondContact O-N 2.92Å; D93-S97 PolarHBondContact O-OG 3.43Å; D93-S97 VanDerWaalsContact O-OG 3.13Å |
| 94 | L | 77.3 | Confident | 74 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 28% | 0.283 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.8 | -48.9 | 171.2 | -179.1 | 64 | 0 | 0 | 0 | 111.6 | L80 V84 I89 S90 N96 S97 V98 | L80-L94 HydrophobicContact CB-CD1 4.14Å; L80-L94 HydrophobicContact CD1-CD1 4.36Å; L80-L94 HydrophobicContact CD2-CD1 4.23Å; L80-L94 HydrophobicContact CG-CD1 4.48Å; V84-L94 HydrophobicContact CG2-CD1 3.8Å; V84-L94 HydrophobicContact CG2-CD2 3.81Å; V84-L94 HydrophobicContact CG2-CG 4.34Å; I89-L94 HydrophobicContact CD1-CB 4.04Å; I89-L94 HydrophobicContact CD1-CD1 4.3Å; I89-L94 HydrophobicContact CG1-CB 4.43Å; S90-L94 PolarHBondContact O-N 2.85Å; L94-N96 VanDerWaalsContact C-N 3.34Å; L94-N96 PolarHBondContact O-N 3.04Å; L94-S97 PolarHBondContact O-N 3.09Å; L94-V98 HydrophobicContact CD1-CG2 4.29Å; L94-V98 VanDerWaalsContact O-CG2 3.31Å; L94-V98 WeakPolarHBondContact O-CG2 3.44Å; L94-V98 PolarHBondContact O-N 3.33Å |
| 95 | V | 76.2 | Confident | 73.4 | Confident | 84 Ų | 84 | 77.5 Ų | 77.5 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 178 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | G91 R92 D93 V98 L99 | G91-V95 VanDerWaalsContact O-CG2 3.32Å; G91-V95 WeakPolarHBondContact O-CG2 3.34Å; G91-V95 PolarHBondContact O-N 3.27Å; R92-V95 PolarHBondContact O-N 2.89Å; D93-V95 PolarHBondContact O-N 3.5Å; V95-V98 PolarHBondContact O-N 3.15Å; V95-L99 HydrophobicContact CG1-CD1 3.87Å; V95-L99 HydrophobicContact CG1-CG 4.38Å; V95-L99 WeakPolarHBondContact O-CB 3.49Å; V95-L99 VanDerWaalsContact O-CG 3.26Å; V95-L99 WeakPolarHBondContact O-CG 3.43Å; V95-L99 PolarHBondContact O-N 3.15Å |
| 96 | N | 77.2 | Confident | 72.6 | Confident | 82 Ų | 82 | 79 Ų | 79 | 44% | 0.439 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 178.2 | -72.3 | -23.6 | 0 | 0 | 0 | 112.2 | R92 D93 L94 L99 Y100 | R92-N96 PolarHBondContact O-N 3.48Å; R92-N96 VanDerWaalsContact O-N 3.1Å; D93-N96 PolarHBondContact O-N 3.02Å; L94-N96 VanDerWaalsContact C-N 3.34Å; L94-N96 PolarHBondContact O-N 3.04Å; N96-L99 PolarHBondContact O-N 2.67Å; N96-Y100 PolarHBondContact O-N 3.22Å |
| 97 | S | 75.7 | Confident | 71.5 | Confident | 9 Ų | 9 | 83.2 Ų | 83.2 | 6% | 0.063 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 178.5 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | L63 D93 L94 Y100 V101 | L63-S97 WeakPolarHBondContact CD1-OG 3.49Å; D93-S97 WeakPolarHBondContact O-CB 3.03Å; D93-S97 PolarHBondContact O-N 2.92Å; D93-S97 PolarHBondContact O-OG 3.43Å; D93-S97 VanDerWaalsContact O-OG 3.13Å; L94-S97 PolarHBondContact O-N 3.09Å; S97-Y100 WeakPolarHBondContact O-CB 3.49Å; S97-Y100 PolarHBondContact O-N 2.69Å; S97-V101 WeakPolarHBondContact O-CG2 3Å; S97-V101 PolarHBondContact O-N 3.48Å; S97-V101 VanDerWaalsContact O-N 3.08Å |
| 98 | V | 78.8 | Confident | 71.5 | Confident | 50 Ų | 50 | 84.9 Ų | 84.9 | 30% | 0.303 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 176 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | F77 L80 L94 V95 Y100 V101 V102 | F77-V98 HydrophobicContact CE1-CG1 4.41Å; F77-V98 HydrophobicContact CE1-CG2 4.18Å; L80-V98 HydrophobicContact CD1-CG2 4.16Å; L94-V98 HydrophobicContact CD1-CG2 4.29Å; L94-V98 VanDerWaalsContact O-CG2 3.31Å; L94-V98 WeakPolarHBondContact O-CG2 3.44Å; L94-V98 PolarHBondContact O-N 3.33Å; V95-V98 PolarHBondContact O-N 3.15Å; V98-Y100 VanDerWaalsContact C-N 3.29Å; V98-Y100 PolarHBondContact O-N 2.99Å; V98-V101 PolarHBondContact O-N 3.19Å; V98-V102 HydrophobicContact CG1-CG2 4.42Å; V98-V102 WeakPolarHBondContact O-CG2 3.05Å; V98-V102 PolarHBondContact O-N 3.24Å |
| 99 | L | 78.5 | Confident | 71.4 | Confident | 97 Ų | 97 | 83.9 Ų | 83.9 | 51% | 0.508 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 176 | -75.5 | 172.2 | 0 | 0 | 0 | 112.2 | V95 N96 V102 S103 | V95-L99 HydrophobicContact CG1-CD1 3.87Å; V95-L99 HydrophobicContact CG1-CG 4.38Å; V95-L99 WeakPolarHBondContact O-CB 3.49Å; V95-L99 VanDerWaalsContact O-CG 3.26Å; V95-L99 WeakPolarHBondContact O-CG 3.43Å; V95-L99 PolarHBondContact O-N 3.15Å; N96-L99 PolarHBondContact O-N 2.67Å; L99-V102 PolarHBondContact O-N 3.21Å; L99-S103 VanDerWaalsContact O-CB 3.28Å; L99-S103 WeakPolarHBondContact O-CB 3.35Å; L99-S103 PolarHBondContact O-N 3.12Å; L99-S103 PolarHBondContact O-OG 3.37Å |
| 100 | Y | 75.5 | Confident | 71.4 | Confident | 93 Ų | 93 | 87.6 Ų | 87.6 | 37% | 0.365 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 175.1 | -178 | -89.1 | 0 | 0 | 0 | 110.9 | I67 N96 S97 V98 V102 S103 D104 | I67-Y100 HydrophobicContact CB-CD1 4.18Å; I67-Y100 HydrophobicContact CB-CE1 4.13Å; I67-Y100 HydrophobicContact CD1-CD1 3.63Å; I67-Y100 HydrophobicContact CD1-CE1 4.43Å; I67-Y100 HydrophobicContact CD1-CG 4.09Å; I67-Y100 HydrophobicContact CG2-CD1 3.88Å; I67-Y100 HydrophobicContact CG2-CE1 3.65Å; N96-Y100 PolarHBondContact O-N 3.22Å; S97-Y100 WeakPolarHBondContact O-CB 3.49Å; S97-Y100 PolarHBondContact O-N 2.69Å; V98-Y100 VanDerWaalsContact C-N 3.29Å; V98-Y100 PolarHBondContact O-N 2.99Å; Y100-V102 VanDerWaalsContact C-N 3.34Å; Y100-V102 PolarHBondContact O-N 3.48Å; Y100-S103 PolarHBondContact O-N 3.37Å; Y100-D104 WeakPolarHBondContact O-CB 3.37Å; Y100-D104 PolarHBondContact O-N 3.21Å |
| 101 | V | 72.5 | Confident | 71.3 | Confident | 9 Ų | 9 | 92.1 Ų | 92.1 | 6% | 0.055 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 177.9 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | A73 I76 F77 S97 V98 S103 D104 W105 | A73-V101 HydrophobicContact CB-CG1 3.76Å; I76-V101 HydrophobicContact CB-CG2 3.94Å; I76-V101 HydrophobicContact CD1-CG2 3.8Å; I76-V101 HydrophobicContact CG1-CG2 4.46Å; I76-V101 HydrophobicContact CG2-CG2 3.4Å; I76-V101 VanDerWaalsContact CG2-CG2 3.4Å; F77-V101 HydrophobicContact CE2-CG1 3.83Å; F77-V101 HydrophobicContact CZ-CG1 4.06Å; S97-V101 WeakPolarHBondContact O-CG2 3Å; S97-V101 PolarHBondContact O-N 3.48Å; S97-V101 VanDerWaalsContact O-N 3.08Å; V98-V101 PolarHBondContact O-N 3.19Å; V101-S103 VanDerWaalsContact C-N 3.33Å; V101-S103 PolarHBondContact O-N 2.93Å; V101-D104 PolarHBondContact O-N 2.97Å; V101-W105 WeakPolarHBondContact O-CB 3.3Å; V101-W105 PolarHBondContact O-N 3.04Å |
| 102 | V | 71.4 | Confident | 71.3 | Confident | 78 Ų | 78 | 94.4 Ų | 94.4 | 47% | 0.473 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 179.2 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | V98 L99 Y100 M106 | V98-V102 HydrophobicContact CG1-CG2 4.42Å; V98-V102 WeakPolarHBondContact O-CG2 3.05Å; V98-V102 PolarHBondContact O-N 3.24Å; L99-V102 PolarHBondContact O-N 3.21Å; Y100-V102 VanDerWaalsContact C-N 3.34Å; Y100-V102 PolarHBondContact O-N 3.48Å; V102-M106 WeakPolarHBondContact O-CB 3.49Å; V102-M106 PolarHBondContact O-N 2.95Å |
| 103 | S | 72.1 | Confident | 71.1 | Confident | 65 Ų | 65 | 87.9 Ų | 87.9 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.9 | -40.6 | 179.1 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | L99 Y100 V101 W105 M106 L107 | L99-S103 VanDerWaalsContact O-CB 3.28Å; L99-S103 WeakPolarHBondContact O-CB 3.35Å; L99-S103 PolarHBondContact O-N 3.12Å; L99-S103 PolarHBondContact O-OG 3.37Å; Y100-S103 PolarHBondContact O-N 3.37Å; V101-S103 VanDerWaalsContact C-N 3.33Å; V101-S103 PolarHBondContact O-N 2.93Å; S103-W105 VanDerWaalsContact C-N 3.32Å; S103-M106 PolarHBondContact O-N 2.96Å; S103-L107 PolarHBondContact O-N 3.43Å |
| 104 | D | 65.1 | Low | 70.8 | Confident | 80 Ų | 80 | 91.7 Ų | 91.7 | 43% | 0.428 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 175.9 | -163.7 | 65.9 | 0 | 0 | 0 | 111 | Y100 V101 M106 L107 | Y100-D104 WeakPolarHBondContact O-CB 3.37Å; Y100-D104 PolarHBondContact O-N 3.21Å; V101-D104 PolarHBondContact O-N 2.97Å; D104-M106 VanDerWaalsContact C-N 3.26Å; D104-M106 PolarHBondContact O-N 3.19Å; D104-L107 PolarHBondContact O-N 3.03Å |
| 105 | W | 60.8 | Low | 70.3 | Confident | 218 Ų | 218 | 94.6 Ų | 94.6 | 83% | 0.826 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70 | -20.6 | 174.7 | -162 | 71.1 | 0 | 0 | 0 | 114.1 | V101 S103 | V101-W105 WeakPolarHBondContact O-CB 3.3Å; V101-W105 PolarHBondContact O-N 3.04Å; S103-W105 VanDerWaalsContact C-N 3.32Å |
| 106 | M | 57.9 | Low | 69.8 | Low | 161 Ų | 161 | 95.5 Ų | 95.5 | 79% | 0.793 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -10 | -179.5 | -149.2 | 177.2 | 81.5 | 0 | 0 | 113.3 | V102 S103 D104 | V102-M106 WeakPolarHBondContact O-CB 3.49Å; V102-M106 PolarHBondContact O-N 2.95Å; S103-M106 PolarHBondContact O-N 2.96Å; D104-M106 VanDerWaalsContact C-N 3.26Å; D104-M106 PolarHBondContact O-N 3.19Å |
| 107 | L | 52.6 | Low | 69.2 | Low | 204 Ų | 204 | 96.7 Ų | 96.7 | 100% | 1.068 | 49% | 0.485 | S | S | * | . | trans | -95.1 | 0 | 177.6 | -75 | 168.5 | 0 | 0 | 0 | 111.6 | S103 D104 | S103-L107 PolarHBondContact O-N 3.43Å; D104-L107 PolarHBondContact O-N 3.03Å |
Retrieved 107 of 107 residues in 46.3 ms
(Link to these results)