| 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 | 42.1 | Very low | 47.7 | Very low | 198 Ų | 198 | 107.4 Ų | 107.4 | 98% | 0.975 | 56% | 0.561 | S | S | * | * | 0 | -49.3 | 0 | -64.2 | -60.8 | -100.2 | 0 | 0 | 112.5 | F3 L4 Q5 | M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.5Å; M1-L4 PolarHBondContact O-N 3.38Å; M1-Q5 PolarHBondContact O-N 3.41Å | |||
| 2 | A | 33.2 | Very low | 48 | Very low | 80 Ų | 80 | 109.6 Ų | 109.6 | 66% | 0.661 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.7 | -34.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q5 L6 | A2-Q5 PolarHBondContact O-N 3.11Å; A2-L6 WeakPolarHBondContact O-CB 3.47Å; A2-L6 PolarHBondContact O-N 3.49Å |
| 3 | F | 35.3 | Very low | 47.7 | Very low | 109 Ų | 109 | 105.8 Ų | 105.8 | 48% | 0.478 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.7 | -38.2 | 179.5 | -159.9 | -102.7 | 0 | 0 | 0 | 113.1 | M1 L6 I7 | M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.5Å; F3-L6 PolarHBondContact O-N 3.29Å; F3-I7 HydrophobicContact CD1-CD1 3.69Å; F3-I7 HydrophobicContact CE1-CD1 3.65Å; F3-I7 WeakPolarHBondContact O-CG1 3.49Å; F3-I7 PolarHBondContact O-N 2.76Å; F3-I7 VanDerWaalsContact O-N 3.08Å |
| 4 | L | 38.8 | Very low | 47.7 | Very low | 118 Ų | 118 | 104.5 Ų | 104.5 | 62% | 0.618 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.4 | -37.9 | 177.2 | -161.7 | 75.4 | 0 | 0 | 0 | 111.1 | M1 L6 I7 V8 | M1-L4 PolarHBondContact O-N 3.38Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-I7 PolarHBondContact O-N 3.4Å; L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.35Å; L4-V8 PolarHBondContact O-N 2.86Å; L4-V8 VanDerWaalsContact O-N 3.07Å |
| 5 | Q | 43.1 | Very low | 47.4 | Very low | 140 Ų | 140 | 108.5 Ų | 108.5 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.6 | -35.7 | 173.6 | -71.7 | -168.1 | -29.2 | 0 | 0 | 112.4 | M1 A2 V8 L9 | M1-Q5 PolarHBondContact O-N 3.41Å; A2-Q5 PolarHBondContact O-N 3.11Å; Q5-V8 PolarHBondContact O-N 3.2Å; Q5-L9 WeakPolarHBondContact O-CB 3.27Å; Q5-L9 WeakPolarHBondContact O-CD1 3.21Å; Q5-L9 VanDerWaalsContact O-CG 3.25Å; Q5-L9 WeakPolarHBondContact O-CG 3.43Å; Q5-L9 PolarHBondContact O-N 3.27Å |
| 6 | L | 50.2 | Low | 47.1 | Very low | 89 Ų | 89 | 108.6 Ų | 108.6 | 47% | 0.466 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.4 | -42.1 | 175.1 | -164.3 | 78 | 0 | 0 | 0 | 111.6 | A2 F3 L4 L9 I10 | A2-L6 WeakPolarHBondContact O-CB 3.47Å; A2-L6 PolarHBondContact O-N 3.49Å; F3-L6 PolarHBondContact O-N 3.29Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L6-L9 PolarHBondContact O-N 3.15Å; L6-I10 HydrophobicContact CD2-CD1 4.47Å; L6-I10 HydrophobicContact CG-CD1 4.09Å; L6-I10 WeakPolarHBondContact O-CD1 3.3Å; L6-I10 VanDerWaalsContact O-CG1 3.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.41Å; L6-I10 PolarHBondContact O-N 3.46Å |
| 7 | I | 59.8 | Low | 47.3 | Very low | 57 Ų | 57 | 111.3 Ų | 111.3 | 29% | 0.292 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65 | -42.7 | 177.7 | -68.5 | 167 | 0 | 0 | 0 | 111.2 | F3 L4 L9 I10 F11 | F3-I7 HydrophobicContact CD1-CD1 3.69Å; F3-I7 HydrophobicContact CE1-CD1 3.65Å; F3-I7 WeakPolarHBondContact O-CG1 3.49Å; F3-I7 PolarHBondContact O-N 2.76Å; F3-I7 VanDerWaalsContact O-N 3.08Å; L4-I7 PolarHBondContact O-N 3.4Å; I7-L9 VanDerWaalsContact C-N 3.35Å; I7-L9 PolarHBondContact O-N 3.45Å; I7-I10 PolarHBondContact O-N 2.93Å; I7-F11 HydrophobicContact CG2-CD2 4.31Å; I7-F11 PolarHBondContact O-N 3.24Å |
| 8 | V | 60.4 | Low | 46.5 | Very low | 84 Ų | 84 | 109.2 Ų | 109.2 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.1 | -40 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L4 Q5 F11 M12 | L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.35Å; L4-V8 PolarHBondContact O-N 2.86Å; L4-V8 VanDerWaalsContact O-N 3.07Å; Q5-V8 PolarHBondContact O-N 3.2Å; V8-F11 PolarHBondContact O-N 3.38Å; V8-M12 HydrophobicContact CG1-CG 4.47Å; V8-M12 VanDerWaalsContact O-CG 3.24Å; V8-M12 WeakPolarHBondContact O-CG 3.37Å; V8-M12 PolarHBondContact O-N 3.46Å |
| 9 | L | 53.1 | Low | 46.1 | Very low | 120 Ų | 120 | 113.5 Ų | 113.5 | 63% | 0.628 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67 | -37 | 176.8 | -74.9 | 167.9 | 0 | 0 | 0 | 112.6 | Q5 L6 I7 A13 | Q5-L9 WeakPolarHBondContact O-CB 3.27Å; Q5-L9 WeakPolarHBondContact O-CD1 3.21Å; Q5-L9 VanDerWaalsContact O-CG 3.25Å; Q5-L9 WeakPolarHBondContact O-CG 3.43Å; Q5-L9 PolarHBondContact O-N 3.27Å; L6-L9 PolarHBondContact O-N 3.15Å; I7-L9 VanDerWaalsContact C-N 3.35Å; I7-L9 PolarHBondContact O-N 3.45Å; L9-A13 WeakPolarHBondContact O-CB 3.47Å; L9-A13 PolarHBondContact O-N 2.95Å |
| 10 | I | 58.3 | Low | 46 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 51% | 0.513 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.4 | -40.4 | 175.8 | -68.4 | 165.1 | 0 | 0 | 0 | 110.7 | L6 I7 A13 S14 | L6-I10 HydrophobicContact CD2-CD1 4.47Å; L6-I10 HydrophobicContact CG-CD1 4.09Å; L6-I10 WeakPolarHBondContact O-CD1 3.3Å; L6-I10 VanDerWaalsContact O-CG1 3.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.41Å; L6-I10 PolarHBondContact O-N 3.46Å; I7-I10 PolarHBondContact O-N 2.93Å; I10-A13 PolarHBondContact O-N 3.19Å; I10-S14 PolarHBondContact O-N 3.5Å; I10-S14 PolarHBondContact O-OG 2.83Å |
| 11 | F | 51.1 | Low | 45.3 | Very low | 86 Ų | 86 | 117 Ų | 117 | 38% | 0.377 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.1 | -42.5 | 176 | -109.2 | -101.5 | 0 | 0 | 0 | 113 | I7 V8 A13 S14 F53 | I7-F11 HydrophobicContact CG2-CD2 4.31Å; I7-F11 PolarHBondContact O-N 3.24Å; V8-F11 PolarHBondContact O-N 3.38Å; F11-A13 VanDerWaalsContact C-N 3.31Å; F11-A13 PolarHBondContact O-N 3.12Å; F11-S14 PolarHBondContact O-N 2.97Å; F11-F53 HydrophobicContact CD1-CZ 4.44Å; F11-F53 HydrophobicContact CE1-CD1 4.06Å; F11-F53 AromaticContact CE1-CE1 3.24Å; F11-F53 HydrophobicContact CE1-CE1 3.24Å; F11-F53 HydrophobicContact CE1-CE2 4.09Å; F11-F53 AromaticContact CE1-CZ 3.28Å; F11-F53 HydrophobicContact CE1-CZ 3.28Å; F11-F53 HydrophobicContact CE2-CE1 4.34Å; F11-F53 AromaticContact CZ-CD1 3.53Å; F11-F53 HydrophobicContact CZ-CD1 3.53Å; F11-F53 AromaticContact CZ-CE1 3.13Å; F11-F53 HydrophobicContact CZ-CE1 3.13Å; F11-F53 HydrophobicContact CZ-CE2 4.43Å; F11-F53 HydrophobicContact CZ-CG 4.37Å; F11-F53 AromaticContact CZ-CZ 3.68Å; F11-F53 HydrophobicContact CZ-CZ 3.68Å |
| 12 | M | 51.3 | Low | 45.2 | Very low | 134 Ų | 134 | 114.5 Ų | 114.5 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.6 | -27.7 | 179.7 | -66.6 | -64.6 | -78.7 | 0 | 0 | 112.6 | V8 | V8-M12 HydrophobicContact CG1-CG 4.47Å; V8-M12 VanDerWaalsContact O-CG 3.24Å; V8-M12 WeakPolarHBondContact O-CG 3.37Å; V8-M12 PolarHBondContact O-N 3.46Å |
| 13 | A | 43.3 | Very low | 45.1 | Very low | 61 Ų | 61 | 117.9 Ų | 117.9 | 50% | 0.504 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.8 | -32.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L9 I10 F11 F15 C16 | L9-A13 WeakPolarHBondContact O-CB 3.47Å; L9-A13 PolarHBondContact O-N 2.95Å; I10-A13 PolarHBondContact O-N 3.19Å; F11-A13 VanDerWaalsContact C-N 3.31Å; F11-A13 PolarHBondContact O-N 3.12Å; A13-F15 PolarHBondContact O-N 3.41Å; A13-C16 PolarHBondContact O-N 3.23Å |
| 14 | S | 47.8 | Very low | 44.9 | Very low | 87 Ų | 87 | 115.8 Ų | 115.8 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.3 | -21.6 | -178.6 | -61.7 | 0 | 0 | 0 | 0 | 114.4 | I10 F11 C16 | I10-S14 PolarHBondContact O-N 3.5Å; I10-S14 PolarHBondContact O-OG 2.83Å; F11-S14 PolarHBondContact O-N 2.97Å; S14-C16 VanDerWaalsContact C-N 3.34Å |
| 15 | F | 42.9 | Very low | 44.6 | Very low | 165 Ų | 165 | 119.3 Ų | 119.3 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -6.4 | 177.4 | -89 | -84.8 | 0 | 0 | 0 | 114.4 | A13 | A13-F15 PolarHBondContact O-N 3.41Š|
| 16 | C | 42.9 | Very low | 44.3 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 4.3 | -177 | -70.1 | 0 | 0 | 0 | 0 | 114.7 | A13 S14 | A13-C16 PolarHBondContact O-N 3.23Å; S14-C16 VanDerWaalsContact C-N 3.34Å |
| 17 | I | 50.1 | Low | 43.7 | Very low | 155 Ų | 155 | 120 Ų | 120 | 80% | 0.795 | 69% | 0.685 | S | S | * | * | trans | -124.7 | 88.7 | -179.1 | -49.9 | 175.8 | 0 | 0 | 0 | 109 | ||||
| 18 | G | 34.1 | Very low | 42.3 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | trans | -169 | 108.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 19 | E | 37.4 | Very low | 41 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 90% | 0.897 | 73% | 0.727 | S | S | * | * | trans | -69.1 | 149.7 | -163.8 | -65 | 171.5 | 132.5 | 0 | 0 | 115.3 | ||||
| 20 | T | 45.4 | Very low | 40.4 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -61 | 124.6 | 166.3 | 48 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 21 | M | 30.2 | Very low | 39.1 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | trans | -140.9 | 115.7 | 152.1 | -87.5 | -161.7 | 91.4 | 0 | 0 | 111.5 | I23 | M21-I23 HydrophobicContact CE-CD1 3.96Š| ||
| 22 | V | 39.5 | Very low | 38 | Very low | 144 Ų | 144 | 137 Ų | 137 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | trans | -99 | 115.9 | 169.5 | 170.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 23 | I | 32.4 | Very low | 37.6 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -155.5 | 122.9 | 158.2 | -53.3 | -177.4 | 0 | 0 | 0 | 103.6 | M21 | M21-I23 HydrophobicContact CE-CD1 3.96Š| ||
| 24 | G | 29.8 | Very low | 37.2 | Very low | 64 Ų | 64 | 142.2 Ų | 142.2 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 133 | 105.6 | 37 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 25 | E | 34.1 | Very low | 36.7 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -64.2 | 146.9 | 178.9 | -116.8 | 168.5 | 145.2 | 0 | 0 | 111.5 | ||||
| 26 | P | 35.2 | Very low | 36.3 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | -142.8 | 130.4 | 117.3 | 29.8 | -11.4 | 0 | 0 | 0 | 115.7 | |||||
| 27 | T | 38.3 | Very low | 36.2 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | 61.4 | 111.3 | 141.7 | 57.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 28 | R | 29.7 | Very low | 35.7 | Very low | 239 Ų | 239 | 143 Ų | 143 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -135.4 | 143.5 | 149.2 | -149.4 | -178.1 | -71.9 | -147.7 | 3.9 | 109.7 | ||||
| 29 | P | 33.6 | Very low | 35.9 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -74.6 | 150.5 | -166.8 | -8.8 | 25.6 | 0 | 0 | 0 | 112.9 | L31 | P29-L31 PolarHBondContact O-N 2.98Š| ||
| 30 | K | 40.6 | Very low | 36.8 | Very low | 207 Ų | 207 | 141 Ų | 141 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | trans | -62 | 121.4 | 166.9 | -76.3 | 178.9 | 174.8 | 176.6 | 0 | 110.3 | ||||
| 31 | L | 31.1 | Very low | 38.5 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -155.1 | 126.9 | 151.4 | -153.5 | 70.1 | 0 | 0 | 0 | 111.9 | P29 | P29-L31 PolarHBondContact O-N 2.98Š| ||
| 32 | G | 28.3 | Very low | 41.2 | Very low | 63 Ų | 63 | 136.5 Ų | 136.5 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | trans | 86.3 | 92.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | T34 | G32-T34 PolarHBondContact O-N 3.33Š| ||
| 33 | I | 42.4 | Very low | 43.5 | Very low | 178 Ų | 178 | 131.1 Ų | 131.1 | 91% | 0.913 | 73% | 0.732 | S | S | * | * | trans | -68 | 98 | 161.5 | -56.8 | 168.6 | 0 | 0 | 0 | 107.2 | ||||
| 34 | T | 34.7 | Very low | 46.2 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | -144.4 | 101.1 | 164.2 | -19.3 | 0 | 0 | 0 | 0 | 109.4 | G32 | G32-T34 PolarHBondContact O-N 3.33Š| ||
| 35 | Q | 38.8 | Very low | 49.1 | Very low | 183 Ų | 183 | 126.3 Ų | 126.3 | 86% | 0.855 | 70% | 0.697 | S | S | * | * | trans | 51.6 | 96.4 | 164.1 | -59.6 | -139.3 | -38.3 | 0 | 0 | 118.5 | S37 | Q35-S37 PolarHBondContact O-N 3.16Š| ||
| 36 | L | 33 | Very low | 51.6 | Low | 166 Ų | 166 | 117.7 Ų | 117.7 | 87% | 0.869 | 66% | 0.657 | S | S | * | * | trans | -84.2 | 91.9 | 159.2 | -159.6 | 77 | 0 | 0 | 0 | 108.8 | ||||
| 37 | S | 41.5 | Very low | 54.3 | Low | 102 Ų | 102 | 113.7 Ų | 113.7 | 71% | 0.713 | 63% | 0.632 | S | S | * | * | trans | -87.5 | 101.4 | 151.7 | -179.8 | 0 | 0 | 0 | 0 | 106.9 | Q35 | Q35-S37 PolarHBondContact O-N 3.16Š| ||
| 38 | S | 38.9 | Very low | 56.9 | Low | 82 Ų | 82 | 112.1 Ų | 112.1 | 57% | 0.573 | 62% | 0.616 | S | S | * | * | trans | -125.5 | 73.5 | 161.7 | 63.5 | 0 | 0 | 0 | 0 | 107.2 | T40 | S38-T40 VanDerWaalsContact C-N 3.34Å; S38-T40 PolarHBondContact O-N 3.05Å | ||
| 39 | T | 39.3 | Very low | 59.8 | Low | 124 Ų | 124 | 104.9 Ų | 104.9 | 76% | 0.761 | 59% | 0.594 | S | S | * | * | trans | -77.7 | 94.2 | 160.1 | 43.4 | 0 | 0 | 0 | 0 | 106.1 | D41 | T39-D41 PolarHBondContact O-N 3.48Å; T39-D41 VanDerWaalsContact O-N 3.17Å | ||
| 40 | T | 55.8 | Low | 62.4 | Low | 98 Ų | 98 | 100.1 Ų | 100.1 | 60% | 0.601 | 56% | 0.561 | S | S | * | * | trans | -62.2 | 116.8 | 166.5 | -38.5 | 0 | 0 | 0 | 0 | 106.5 | S38 I42 D45 | S38-T40 VanDerWaalsContact C-N 3.34Å; S38-T40 PolarHBondContact O-N 3.05Å; T40-I42 PolarHBondContact O-N 3.4Å; T40-I42 VanDerWaalsContact O-N 3.1Å; T40-D45 WeakPolarHBondContact CG2-OD2 3.03Å | ||
| 41 | D | 82 | Confident | 64.9 | Low | 96 Ų | 96 | 95.4 Ų | 95.4 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | trans | -74.5 | 100.1 | -179 | 179.2 | 13.7 | 0 | 0 | 0 | 109.3 | T39 C43 S44 D45 | T39-D41 PolarHBondContact O-N 3.48Å; T39-D41 VanDerWaalsContact O-N 3.17Å; D41-C43 PolarHBondContact O-N 2.92Å; D41-C43 VanDerWaalsContact O-N 3.1Å; D41-C43 WeakPolarHBondContact OD1-CB 3.44Å; D41-C43 PolarHBondContact OD1-N 3.1Å; D41-C43 VanDerWaalsContact OD1-N 3.16Å; D41-S44 WeakPolarHBondContact O-CA 3.48Å; D41-S44 WeakPolarHBondContact O-CB 3.33Å; D41-S44 PolarHBondContact O-N 2.8Å; D41-D45 PolarHBondContact O-N 3.35Å; D41-D45 VanDerWaalsContact O-N 3.1Å | ||
| 42 | I | 86.9 | Confident | 67.7 | Low | 110 Ų | 110 | 92.5 Ų | 92.5 | 56% | 0.564 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -54.2 | -30.4 | -179.9 | -62.1 | 170.9 | 0 | 0 | 0 | 111.6 | T40 C46 L116 | T40-I42 PolarHBondContact O-N 3.4Å; T40-I42 VanDerWaalsContact O-N 3.1Å; I42-C46 WeakPolarHBondContact O-CB 3.47Å; I42-C46 PolarHBondContact O-N 3.17Å; I42-L116 HydrophobicContact CG2-CB 4.34Å; I42-L116 HydrophobicContact CG2-CD2 3.75Å |
| 43 | C | 86.9 | Confident | 70.6 | Confident | 32 Ų | 32 | 92.1 Ų | 92.1 | 22% | 0.216 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -69.4 | -40.8 | 176.7 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | D41 S47 L116 C117 | D41-C43 PolarHBondContact O-N 2.92Å; D41-C43 VanDerWaalsContact O-N 3.1Å; D41-C43 WeakPolarHBondContact OD1-CB 3.44Å; D41-C43 PolarHBondContact OD1-N 3.1Å; D41-C43 VanDerWaalsContact OD1-N 3.16Å; C43-S47 WeakPolarHBondContact O-CB 3.43Å; C43-S47 PolarHBondContact O-N 3.04Å; C43-S47 PolarHBondContact O-OG 3.38Å; C43-L116 WeakPolarHBondContact CA-O 3.27Å; C43-L116 WeakPolarHBondContact CB-O 3.47Å; C43-C117 VanDerWaalsContact CA-SG 3.51Å; C43-C117 HydrophobicContact CB-CB 3.99Å; C43-C117 WeakPolarHBondContact CB-SG 3.46Å; C43-C117 VanDerWaalsContact SG-CA 3.58Å; C43-C117 WeakPolarHBondContact SG-CB 3.48Å; C43-C117 CovalentContact SG-SG 2.04Å; C43-C117 PolarHBondContact SG-SG 3.01Å |
| 44 | S | 89.8 | Confident | 72.9 | Confident | 48 Ų | 48 | 84.7 Ų | 84.7 | 34% | 0.336 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | D41 C46 S47 Q48 | D41-S44 WeakPolarHBondContact O-CA 3.48Å; D41-S44 WeakPolarHBondContact O-CB 3.33Å; D41-S44 PolarHBondContact O-N 2.8Å; S44-C46 PolarHBondContact O-N 3.46Å; S44-S47 PolarHBondContact O-N 3.22Å; S44-Q48 WeakPolarHBondContact O-CG 3.44Å; S44-Q48 PolarHBondContact O-N 2.71Å; S44-Q48 PolarHBondContact OG-NE2 3.29Å; S44-Q48 VanDerWaalsContact OG-NE2 3.09Å |
| 45 | D | 89.8 | Confident | 75.6 | Confident | 66 Ų | 66 | 83.4 Ų | 83.4 | 35% | 0.353 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 178.1 | -66.6 | -14.2 | 0 | 0 | 0 | 111 | T40 D41 S47 Q48 I49 | T40-D45 WeakPolarHBondContact CG2-OD2 3.03Å; D41-D45 PolarHBondContact O-N 3.35Å; D41-D45 VanDerWaalsContact O-N 3.1Å; D45-S47 VanDerWaalsContact C-N 3.32Å; D45-S47 PolarHBondContact O-N 3.35Å; D45-Q48 PolarHBondContact O-N 2.96Å; D45-I49 WeakPolarHBondContact O-CD1 3.28Å; D45-I49 VanDerWaalsContact O-CG1 3.23Å; D45-I49 WeakPolarHBondContact O-CG1 3.34Å; D45-I49 PolarHBondContact O-N 3.39Å |
| 46 | C | 87.7 | Confident | 78 | Confident | 11 Ų | 11 | 79.7 Ų | 79.7 | 7% | 0.074 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 174.4 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | I42 S44 Q48 I49 I50 C111 L116 | I42-C46 WeakPolarHBondContact O-CB 3.47Å; I42-C46 PolarHBondContact O-N 3.17Å; S44-C46 PolarHBondContact O-N 3.46Å; C46-Q48 VanDerWaalsContact C-N 3.33Å; C46-Q48 PolarHBondContact O-N 3.37Å; C46-I49 PolarHBondContact O-N 3.04Å; C46-I50 WeakPolarHBondContact O-CG1 3.49Å; C46-I50 PolarHBondContact O-N 3.47Å; C46-C111 HydrophobicContact CB-CB 3.88Å; C46-C111 WeakPolarHBondContact CB-SG 3.12Å; C46-C111 PolarHBondContact O-SG 3.01Å; C46-C111 VanDerWaalsContact O-SG 3.41Å; C46-C111 VanDerWaalsContact SG-CA 3.57Å; C46-C111 WeakPolarHBondContact SG-CB 3.39Å; C46-C111 CovalentContact SG-SG 2.03Å; C46-C111 PolarHBondContact SG-SG 3.36Å; C46-L116 HydrophobicContact CB-CB 4.06Å; C46-L116 HydrophobicContact CB-CD1 3.84Å; C46-L116 WeakPolarHBondContact SG-CD1 3.38Å |
| 47 | S | 91.2 | Very high | 80.7 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | -177.7 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | C43 S44 D45 I49 I50 E51 P107 C111 | C43-S47 WeakPolarHBondContact O-CB 3.43Å; C43-S47 PolarHBondContact O-N 3.04Å; C43-S47 PolarHBondContact O-OG 3.38Å; S44-S47 PolarHBondContact O-N 3.22Å; D45-S47 VanDerWaalsContact C-N 3.32Å; D45-S47 PolarHBondContact O-N 3.35Å; S47-I49 PolarHBondContact O-N 2.95Å; S47-I50 PolarHBondContact O-N 3.39Å; S47-E51 WeakPolarHBondContact O-CB 3.34Å; S47-E51 PolarHBondContact O-N 3.39Å; S47-P107 WeakPolarHBondContact O-CB 3.03Å; S47-C111 PolarHBondContact N-SG 3.43Å; S47-C111 VanDerWaalsContact N-SG 3.39Å |
| 48 | Q | 93.2 | Very high | 83 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 48% | 0.477 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 175.9 | -72.3 | 172.1 | 51.8 | 0 | 0 | 112.1 | S44 D45 C46 E51 L52 | S44-Q48 WeakPolarHBondContact O-CG 3.44Å; S44-Q48 PolarHBondContact O-N 2.71Å; S44-Q48 PolarHBondContact OG-NE2 3.29Å; S44-Q48 VanDerWaalsContact OG-NE2 3.09Å; D45-Q48 PolarHBondContact O-N 2.96Å; C46-Q48 VanDerWaalsContact C-N 3.33Å; C46-Q48 PolarHBondContact O-N 3.37Å; Q48-E51 PolarHBondContact O-N 3.15Å; Q48-L52 WeakPolarHBondContact O-CB 3.5Å; Q48-L52 VanDerWaalsContact O-CG 3.27Å; Q48-L52 WeakPolarHBondContact O-CG 3.42Å; Q48-L52 PolarHBondContact O-N 2.97Å |
| 49 | I | 89.4 | Confident | 85.6 | Confident | 86 Ų | 86 | 70.5 Ų | 70.5 | 44% | 0.441 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 177.1 | -70.7 | 165.2 | 0 | 0 | 0 | 110.6 | D45 C46 S47 E51 L52 F53 | D45-I49 WeakPolarHBondContact O-CD1 3.28Å; D45-I49 VanDerWaalsContact O-CG1 3.23Å; D45-I49 WeakPolarHBondContact O-CG1 3.34Å; D45-I49 PolarHBondContact O-N 3.39Å; C46-I49 PolarHBondContact O-N 3.04Å; S47-I49 PolarHBondContact O-N 2.95Å; I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 3.26Å; I49-L52 PolarHBondContact O-N 2.9Å; I49-F53 HydrophobicContact CG2-CD2 3.62Å; I49-F53 HydrophobicContact CG2-CE2 3.43Å; I49-F53 VanDerWaalsContact CG2-CE2 3.43Å; I49-F53 WeakPolarHBondContact O-CD2 3.23Å; I49-F53 PolarHBondContact O-N 3.41Å |
| 50 | I | 88.4 | Confident | 88.2 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 177.9 | -62.3 | -58.5 | 0 | 0 | 0 | 111.1 | C46 S47 F53 T54 L105 P107 T110 | C46-I50 WeakPolarHBondContact O-CG1 3.49Å; C46-I50 PolarHBondContact O-N 3.47Å; S47-I50 PolarHBondContact O-N 3.39Å; I50-F53 PolarHBondContact O-N 3.02Å; I50-T54 WeakPolarHBondContact O-CB 3.27Å; I50-T54 PolarHBondContact O-N 3.48Å; I50-T54 PolarHBondContact O-OG1 3.25Å; I50-T54 VanDerWaalsContact O-OG1 3.08Å; I50-L105 HydrophobicContact CG2-CB 4.29Å; I50-P107 HydrophobicContact CB-CB 4.29Å; I50-P107 HydrophobicContact CB-CG 4.35Å; I50-P107 HydrophobicContact CG2-CB 4.32Å; I50-P107 HydrophobicContact CG2-CG 4.07Å; I50-T110 HydrophobicContact CD1-CG2 3.84Å; I50-T110 HydrophobicContact CG1-CG2 4.14Å |
| 51 | E | 92.9 | Very high | 90 | Very high | 108 Ų | 108 | 69.9 Ų | 69.9 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 175.9 | -171.3 | 169.7 | -159.6 | 0 | 0 | 111.5 | S47 Q48 I49 F53 T54 D55 P107 | S47-E51 WeakPolarHBondContact O-CB 3.34Å; S47-E51 PolarHBondContact O-N 3.39Å; Q48-E51 PolarHBondContact O-N 3.15Å; I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 3.26Å; E51-F53 VanDerWaalsContact C-N 3.31Å; E51-F53 PolarHBondContact O-N 3.04Å; E51-T54 PolarHBondContact O-N 3.24Å; E51-T54 VanDerWaalsContact O-N 3.17Å; E51-D55 WeakPolarHBondContact O-CB 3.24Å; E51-D55 PolarHBondContact O-N 3.43Å; E51-P107 HydrophobicContact CB-CG 4.06Å |
| 52 | L | 91.1 | Very high | 90.6 | Very high | 115 Ų | 115 | 67.1 Ų | 67.1 | 60% | 0.602 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.2 | -42.1 | 175.9 | -72.6 | 171.6 | 0 | 0 | 0 | 112.4 | Q48 I49 M56 | Q48-L52 WeakPolarHBondContact O-CB 3.5Å; Q48-L52 VanDerWaalsContact O-CG 3.27Å; Q48-L52 WeakPolarHBondContact O-CG 3.42Å; Q48-L52 PolarHBondContact O-N 2.97Å; I49-L52 PolarHBondContact O-N 2.9Å; L52-M56 WeakPolarHBondContact O-CB 3.49Å; L52-M56 PolarHBondContact O-N 3.41Å |
| 53 | F | 88.3 | Confident | 90.8 | Very high | 55 Ų | 55 | 64.9 Ų | 64.9 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 176.8 | -81.5 | -57.6 | 0 | 0 | 0 | 112.4 | F11 I49 I50 E51 D55 M56 I57 | F11-F53 HydrophobicContact CD1-CZ 4.44Å; F11-F53 HydrophobicContact CE1-CD1 4.06Å; F11-F53 AromaticContact CE1-CE1 3.24Å; F11-F53 HydrophobicContact CE1-CE1 3.24Å; F11-F53 HydrophobicContact CE1-CE2 4.09Å; F11-F53 AromaticContact CE1-CZ 3.28Å; F11-F53 HydrophobicContact CE1-CZ 3.28Å; F11-F53 HydrophobicContact CE2-CE1 4.34Å; F11-F53 AromaticContact CZ-CD1 3.53Å; F11-F53 HydrophobicContact CZ-CD1 3.53Å; F11-F53 AromaticContact CZ-CE1 3.13Å; F11-F53 HydrophobicContact CZ-CE1 3.13Å; F11-F53 HydrophobicContact CZ-CE2 4.43Å; F11-F53 HydrophobicContact CZ-CG 4.37Å; F11-F53 AromaticContact CZ-CZ 3.68Å; F11-F53 HydrophobicContact CZ-CZ 3.68Å; I49-F53 HydrophobicContact CG2-CD2 3.62Å; I49-F53 HydrophobicContact CG2-CE2 3.43Å; I49-F53 VanDerWaalsContact CG2-CE2 3.43Å; I49-F53 WeakPolarHBondContact O-CD2 3.23Å; I49-F53 PolarHBondContact O-N 3.41Å; I50-F53 PolarHBondContact O-N 3.02Å; E51-F53 VanDerWaalsContact C-N 3.31Å; E51-F53 PolarHBondContact O-N 3.04Å; F53-D55 VanDerWaalsContact C-N 3.34Å; F53-M56 PolarHBondContact O-N 3.3Å; F53-I57 VanDerWaalsContact O-CG1 3.28Å; F53-I57 WeakPolarHBondContact O-CG1 3.46Å; F53-I57 PolarHBondContact O-N 2.98Å |
| 54 | T | 91.4 | Very high | 91.2 | Very high | 23 Ų | 23 | 69 Ų | 69 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.3 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | I50 E51 I57 S58 L105 | I50-T54 WeakPolarHBondContact O-CB 3.27Å; I50-T54 PolarHBondContact O-N 3.48Å; I50-T54 PolarHBondContact O-OG1 3.25Å; I50-T54 VanDerWaalsContact O-OG1 3.08Å; E51-T54 PolarHBondContact O-N 3.24Å; E51-T54 VanDerWaalsContact O-N 3.17Å; T54-I57 PolarHBondContact O-N 2.85Å; T54-S58 WeakPolarHBondContact O-CB 3.24Å; T54-S58 PolarHBondContact O-N 2.94Å; T54-S58 PolarHBondContact O-OG 2.93Å; T54-L105 WeakPolarHBondContact OG1-CB 3.44Å; T54-L105 PolarHBondContact OG1-O 3.34Å; T54-L105 VanDerWaalsContact OG1-O 3.11Å |
| 55 | D | 90.9 | Very high | 91.5 | Very high | 98 Ų | 98 | 72.1 Ų | 72.1 | 52% | 0.524 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 176.2 | -75.7 | -10.7 | 0 | 0 | 0 | 111.7 | E51 F53 I57 S58 N59 | E51-D55 WeakPolarHBondContact O-CB 3.24Å; E51-D55 PolarHBondContact O-N 3.43Å; F53-D55 VanDerWaalsContact C-N 3.34Å; D55-I57 VanDerWaalsContact C-N 3.33Å; D55-I57 PolarHBondContact O-N 3.21Å; D55-S58 PolarHBondContact O-N 3.31Å; D55-N59 WeakPolarHBondContact O-CB 3.16Å; D55-N59 PolarHBondContact O-N 2.88Å |
| 56 | M | 89.3 | Confident | 91.7 | Very high | 106 Ų | 106 | 71.6 Ų | 71.6 | 52% | 0.522 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 177.5 | -170.5 | -174.6 | -55.2 | 0 | 0 | 111.9 | L52 F53 N59 T62 | L52-M56 WeakPolarHBondContact O-CB 3.49Å; L52-M56 PolarHBondContact O-N 3.41Å; F53-M56 PolarHBondContact O-N 3.3Å; M56-N59 WeakPolarHBondContact O-CB 3.4Å; M56-T62 WeakPolarHBondContact O-CB 3.48Å; M56-T62 VanDerWaalsContact O-CG2 3.3Å; M56-T62 WeakPolarHBondContact O-CG2 3.07Å; M56-T62 PolarHBondContact O-OG1 3.21Å |
| 57 | I | 89.3 | Confident | 92.1 | Very high | 36 Ų | 36 | 73.4 Ų | 73.4 | 19% | 0.185 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74.5 | -31.8 | 178.8 | -66.8 | 168.1 | 0 | 0 | 0 | 111.6 | F53 T54 D55 N59 Q63 L98 T102 L105 | F53-I57 VanDerWaalsContact O-CG1 3.28Å; F53-I57 WeakPolarHBondContact O-CG1 3.46Å; F53-I57 PolarHBondContact O-N 2.98Å; T54-I57 PolarHBondContact O-N 2.85Å; D55-I57 VanDerWaalsContact C-N 3.33Å; D55-I57 PolarHBondContact O-N 3.21Å; I57-N59 VanDerWaalsContact C-N 3.32Å; I57-Q63 VanDerWaalsContact O-CG 3.22Å; I57-Q63 WeakPolarHBondContact O-CG 3.5Å; I57-Q63 PolarHBondContact O-NE2 2.04Å; I57-L98 HydrophobicContact CG2-CD2 3.87Å; I57-T102 HydrophobicContact CG2-CG2 3.93Å; I57-L105 HydrophobicContact CD1-CD1 4.2Å |
| 58 | S | 90.6 | Very high | 92.2 | Very high | 54 Ų | 54 | 76 Ų | 76 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -78.2 | -18.3 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 112.9 | T54 D55 T60 T102 | T54-S58 WeakPolarHBondContact O-CB 3.24Å; T54-S58 PolarHBondContact O-N 2.94Å; T54-S58 PolarHBondContact O-OG 2.93Å; D55-S58 PolarHBondContact O-N 3.31Å; S58-T60 PolarHBondContact O-N 3.42Å; S58-T102 WeakPolarHBondContact OG-CG2 3.28Å |
| 59 | N | 93.6 | Very high | 92.4 | Very high | 67 Ų | 67 | 74.7 Ų | 74.7 | 36% | 0.358 | 39% | 0.393 | S | S | . | . | trans | -62.4 | 128.6 | 177 | 178.6 | -80.1 | 0 | 0 | 0 | 111.2 | D55 M56 I57 D61 T62 Q63 | D55-N59 WeakPolarHBondContact O-CB 3.16Å; D55-N59 PolarHBondContact O-N 2.88Å; M56-N59 WeakPolarHBondContact O-CB 3.4Å; I57-N59 VanDerWaalsContact C-N 3.32Å; N59-D61 VanDerWaalsContact C-N 3.31Å; N59-D61 PolarHBondContact O-N 3.47Å; N59-D61 WeakPolarHBondContact OD1-CA 3.41Å; N59-D61 VanDerWaalsContact OD1-CB 3.24Å; N59-D61 WeakPolarHBondContact OD1-CB 3.28Å; N59-D61 PolarHBondContact OD1-N 2.98Å; N59-T62 WeakPolarHBondContact O-CB 3.3Å; N59-T62 PolarHBondContact O-N 3.2Å; N59-T62 PolarHBondContact OD1-N 2.8Å; N59-Q63 WeakPolarHBondContact O-CG 3.45Å; N59-Q63 PolarHBondContact O-N 3.26Å | ||
| 60 | T | 93.3 | Very high | 92.7 | Very high | 101 Ų | 101 | 72.3 Ų | 72.3 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.5 | -36.5 | -176.7 | 47.9 | 0 | 0 | 0 | 0 | 113.1 | S58 Q63 E64 | S58-T60 PolarHBondContact O-N 3.42Å; T60-Q63 PolarHBondContact O-N 2.86Å; T60-E64 WeakPolarHBondContact O-CB 3.09Å; T60-E64 PolarHBondContact O-N 2.03Å |
| 61 | D | 94.5 | Very high | 93 | Very high | 108 Ų | 108 | 72.6 Ų | 72.6 | 58% | 0.578 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.8 | -39.5 | -179.5 | -50.6 | -21.6 | 0 | 0 | 0 | 110.2 | N59 E64 L65 | N59-D61 VanDerWaalsContact C-N 3.31Å; N59-D61 PolarHBondContact O-N 3.47Å; N59-D61 WeakPolarHBondContact OD1-CA 3.41Å; N59-D61 VanDerWaalsContact OD1-CB 3.24Å; N59-D61 WeakPolarHBondContact OD1-CB 3.28Å; N59-D61 PolarHBondContact OD1-N 2.98Å; D61-E64 PolarHBondContact O-N 3.14Å; D61-L65 VanDerWaalsContact O-CB 3.27Å; D61-L65 WeakPolarHBondContact O-CB 3.24Å; D61-L65 PolarHBondContact O-N 3.31Å |
| 62 | T | 93.2 | Very high | 93.2 | Very high | 37 Ų | 37 | 69.7 Ų | 69.7 | 23% | 0.227 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 172 | -55.5 | 0 | 0 | 0 | 0 | 111 | M56 N59 L65 I66 | M56-T62 WeakPolarHBondContact O-CB 3.48Å; M56-T62 VanDerWaalsContact O-CG2 3.3Å; M56-T62 WeakPolarHBondContact O-CG2 3.07Å; M56-T62 PolarHBondContact O-OG1 3.21Å; N59-T62 WeakPolarHBondContact O-CB 3.3Å; N59-T62 PolarHBondContact O-N 3.2Å; N59-T62 PolarHBondContact OD1-N 2.8Å; T62-L65 PolarHBondContact O-N 3.23Å; T62-I66 HydrophobicContact CG2-CD1 3.92Å; T62-I66 HydrophobicContact CG2-CG1 4.47Å; T62-I66 VanDerWaalsContact O-CG1 3.23Å; T62-I66 WeakPolarHBondContact O-CG1 3.42Å; T62-I66 PolarHBondContact O-N 2.83Å |
| 63 | Q | 93 | Very high | 93.4 | Very high | 64 Ų | 64 | 68.3 Ų | 68.3 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 179.4 | -66.9 | -173.4 | 1.6 | 0 | 0 | 111.8 | I57 N59 T60 I66 H67 L98 | I57-Q63 VanDerWaalsContact O-CG 3.22Å; I57-Q63 WeakPolarHBondContact O-CG 3.5Å; I57-Q63 PolarHBondContact O-NE2 2.04Å; N59-Q63 WeakPolarHBondContact O-CG 3.45Å; N59-Q63 PolarHBondContact O-N 3.26Å; T60-Q63 PolarHBondContact O-N 2.86Å; Q63-I66 PolarHBondContact O-N 2.9Å; Q63-H67 WeakPolarHBondContact O-CB 3.1Å; Q63-H67 PolarHBondContact O-N 3.27Å; Q63-L98 HydrophobicContact CB-CD1 4.18Å; Q63-L98 HydrophobicContact CG-CD1 3.85Å |
| 64 | E | 94.6 | Very high | 93.7 | Very high | 117 Ų | 117 | 65.8 Ų | 65.8 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.1 | -172.9 | 179.7 | 178.5 | 0 | 0 | 111.2 | T60 D61 I66 H67 N68 | T60-E64 WeakPolarHBondContact O-CB 3.09Å; T60-E64 PolarHBondContact O-N 2.03Å; D61-E64 PolarHBondContact O-N 3.14Å; E64-I66 VanDerWaalsContact C-N 3.34Å; E64-I66 PolarHBondContact O-N 2.86Å; E64-H67 PolarHBondContact O-N 3.22Å; E64-N68 WeakPolarHBondContact CG-ND2 3.43Å; E64-N68 WeakPolarHBondContact O-CB 3.38Å; E64-N68 VanDerWaalsContact O-CG 3.27Å; E64-N68 PolarHBondContact O-N 3.04Å; E64-N68 PolarHBondContact O-ND2 2.82Å |
| 65 | L | 95.4 | Very high | 93.9 | Very high | 114 Ų | 114 | 69.7 Ų | 69.7 | 60% | 0.597 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 175.6 | 179.7 | 63.5 | 0 | 0 | 0 | 111.7 | D61 T62 T69 | D61-L65 VanDerWaalsContact O-CB 3.27Å; D61-L65 WeakPolarHBondContact O-CB 3.24Å; D61-L65 PolarHBondContact O-N 3.31Å; T62-L65 PolarHBondContact O-N 3.23Å; L65-T69 VanDerWaalsContact O-CB 3.28Å; L65-T69 WeakPolarHBondContact O-CB 3.29Å; L65-T69 PolarHBondContact O-N 3.45Å; L65-T69 PolarHBondContact O-OG1 3.01Å |
| 66 | I | 94.4 | Very high | 94.2 | Very high | 56 Ų | 56 | 74.7 Ų | 74.7 | 29% | 0.287 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 176.8 | -66.6 | 164.5 | 0 | 0 | 0 | 110.1 | T62 Q63 E64 T69 L70 L94 L98 | T62-I66 HydrophobicContact CG2-CD1 3.92Å; T62-I66 HydrophobicContact CG2-CG1 4.47Å; T62-I66 VanDerWaalsContact O-CG1 3.23Å; T62-I66 WeakPolarHBondContact O-CG1 3.42Å; T62-I66 PolarHBondContact O-N 2.83Å; Q63-I66 PolarHBondContact O-N 2.9Å; E64-I66 VanDerWaalsContact C-N 3.34Å; E64-I66 PolarHBondContact O-N 2.86Å; I66-T69 PolarHBondContact O-N 3.5Å; I66-L70 HydrophobicContact CG2-CD1 3.93Å; I66-L70 WeakPolarHBondContact O-CG 2.99Å; I66-L70 PolarHBondContact O-N 3.26Å; I66-L94 HydrophobicContact CG2-CD1 3.85Å; I66-L94 HydrophobicContact CG2-CD2 4.05Å; I66-L98 HydrophobicContact CD1-CD2 4.34Å |
| 67 | H | 95 | Very high | 94.3 | Very high | 49 Ų | 49 | 72.7 Ų | 72.7 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.3 | -50.9 | 179.6 | -167.5 | -76.9 | 0 | 0 | 0 | 111.7 | Q63 E64 T69 L70 D71 H91 L94 | Q63-H67 WeakPolarHBondContact O-CB 3.1Å; Q63-H67 PolarHBondContact O-N 3.27Å; E64-H67 PolarHBondContact O-N 3.22Å; H67-T69 VanDerWaalsContact C-N 3.29Å; H67-T69 PolarHBondContact O-N 3.18Å; H67-L70 PolarHBondContact O-N 2.95Å; H67-D71 IonicContact CE1-OD1 3.74Å; H67-D71 IonicContact CE1-OD2 2.82Å; H67-D71 PolarHBondContact CE1-OD2 3.07Å; H67-D71 VanDerWaalsContact CE1-OD2 3.22Å; H67-D71 IonicContact ND1-OD1 3.29Å; H67-D71 IonicContact ND1-OD2 3.98Å; H67-D71 PolarHBondContact ND1-OD2 3.5Å; H67-D71 PolarHBondContact O-N 2.84Å; H67-H91 AromaticContact CE1-CD2 3.12Å; H67-H91 PolarHBondContact CE1-CD2 3.5Å; H67-H91 AromaticContact CE1-CE1 3.85Å; H67-H91 AromaticContact CE1-CG 3.97Å; H67-H91 AromaticContact CE1-NE2 3.05Å; H67-H91 PolarHBondContact CE1-NE2 3.38Å; H67-H91 AromaticContact NE2-CD2 3.08Å; H67-H91 PolarHBondContact NE2-CD2 3.06Å; H67-H91 AromaticContact NE2-CG 3.73Å; H67-H91 AromaticContact NE2-NE2 3.57Å; H67-L94 HydrophobicContact CB-CD2 3.91Å |
| 68 | N | 95.1 | Very high | 94.3 | Very high | 80 Ų | 80 | 76.8 Ų | 76.8 | 43% | 0.428 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 179.2 | -72.2 | -21.6 | 0 | 0 | 0 | 112.4 | E64 A72 | E64-N68 WeakPolarHBondContact CG-ND2 3.43Å; E64-N68 WeakPolarHBondContact O-CB 3.38Å; E64-N68 VanDerWaalsContact O-CG 3.27Å; E64-N68 PolarHBondContact O-N 3.04Å; E64-N68 PolarHBondContact O-ND2 2.82Å; N68-A72 WeakPolarHBondContact O-CB 3.44Å; N68-A72 PolarHBondContact O-N 2.98Å |
| 69 | T | 96.4 | Very high | 94.4 | Very high | 74 Ų | 74 | 78.8 Ų | 78.8 | 45% | 0.454 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | L65 I66 H67 A72 L73 | L65-T69 VanDerWaalsContact O-CB 3.28Å; L65-T69 WeakPolarHBondContact O-CB 3.29Å; L65-T69 PolarHBondContact O-N 3.45Å; L65-T69 PolarHBondContact O-OG1 3.01Å; I66-T69 PolarHBondContact O-N 3.5Å; H67-T69 VanDerWaalsContact C-N 3.29Å; H67-T69 PolarHBondContact O-N 3.18Å; T69-A72 PolarHBondContact O-N 3.33Å; T69-L73 WeakPolarHBondContact O-CG 3.19Å; T69-L73 PolarHBondContact O-N 3.41Å |
| 70 | L | 95.1 | Very high | 94.3 | Very high | 36 Ų | 36 | 80.6 Ų | 80.6 | 19% | 0.188 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68 | -39.7 | 177.3 | -70.6 | 170.1 | 0 | 0 | 0 | 111.8 | I66 H67 A72 L73 C74 V90 L94 | I66-L70 HydrophobicContact CG2-CD1 3.93Å; I66-L70 WeakPolarHBondContact O-CG 2.99Å; I66-L70 PolarHBondContact O-N 3.26Å; H67-L70 PolarHBondContact O-N 2.95Å; L70-A72 VanDerWaalsContact C-N 3.35Å; L70-A72 PolarHBondContact O-N 3.08Å; L70-L73 HydrophobicContact CD2-CD1 4.35Å; L70-L73 WeakPolarHBondContact O-CB 3.46Å; L70-L73 PolarHBondContact O-N 2.94Å; L70-L73 VanDerWaalsContact O-N 3.16Å; L70-C74 PolarHBondContact O-N 2.86Å; L70-C74 PolarHBondContact O-SG 3.47Å; L70-C74 VanDerWaalsContact O-SG 3.42Å; L70-V90 HydrophobicContact CB-CG1 3.66Å; L70-V90 HydrophobicContact CB-CG2 4.05Å; L70-V90 HydrophobicContact CD1-CG1 4.09Å; L70-L94 HydrophobicContact CD1-CD1 3.89Å; L70-L94 HydrophobicContact CD1-CD2 3.85Å; L70-L94 HydrophobicContact CD1-CG 4.39Å |
| 71 | D | 95.7 | Very high | 94.1 | Very high | 27 Ų | 27 | 82.4 Ų | 82.4 | 14% | 0.144 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60 | -45.4 | 173.2 | -75.1 | -8 | 0 | 0 | 0 | 111.1 | H67 L73 C74 L75 M87 H91 | H67-D71 IonicContact CE1-OD1 3.74Å; H67-D71 IonicContact CE1-OD2 2.82Å; H67-D71 PolarHBondContact CE1-OD2 3.07Å; H67-D71 VanDerWaalsContact CE1-OD2 3.22Å; H67-D71 IonicContact ND1-OD1 3.29Å; H67-D71 IonicContact ND1-OD2 3.98Å; H67-D71 PolarHBondContact ND1-OD2 3.5Å; H67-D71 PolarHBondContact O-N 2.84Å; D71-L73 VanDerWaalsContact C-N 3.27Å; D71-L73 PolarHBondContact O-N 3.43Å; D71-C74 WeakPolarHBondContact O-CB 3.45Å; D71-C74 PolarHBondContact O-N 3Å; D71-C74 VanDerWaalsContact O-N 3.1Å; D71-L75 WeakPolarHBondContact O-CG 3.42Å; D71-L75 PolarHBondContact O-N 2.87Å; D71-M87 HydrophobicContact CB-CE 3.94Å; D71-M87 HydrophobicContact CB-SD 3.89Å; D71-M87 WeakPolarHBondContact O-CE 3.02Å; D71-M87 VanDerWaalsContact OD1-SD 3.33Å; D71-H91 IonicContact OD1-CD2 3.86Å; D71-H91 PolarHBondContact OD1-CD2 3.49Å; D71-H91 IonicContact OD1-CE1 3.84Å; D71-H91 IonicContact OD1-NE2 3.45Å; D71-H91 PolarHBondContact OD1-NE2 3.35Å; D71-H91 IonicContact OD2-NE2 3.04Å; D71-H91 PolarHBondContact OD2-NE2 3.36Å |
| 72 | A | 96.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 79 Ų | 79 | 38% | 0.38 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.8 | -34.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N68 T69 L70 R76 | N68-A72 WeakPolarHBondContact O-CB 3.44Å; N68-A72 PolarHBondContact O-N 2.98Å; T69-A72 PolarHBondContact O-N 3.33Å; L70-A72 VanDerWaalsContact C-N 3.35Å; L70-A72 PolarHBondContact O-N 3.08Å; A72-R76 WeakPolarHBondContact O-CG 3.25Å; A72-R76 PolarHBondContact O-N 3.4Å |
| 73 | L | 96.3 | Very high | 93.7 | Very high | 87 Ų | 87 | 79.8 Ų | 79.8 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 172.8 | -71.1 | 171.7 | 0 | 0 | 0 | 111.7 | T69 L70 D71 L75 R76 | T69-L73 WeakPolarHBondContact O-CG 3.19Å; T69-L73 PolarHBondContact O-N 3.41Å; L70-L73 HydrophobicContact CD2-CD1 4.35Å; L70-L73 WeakPolarHBondContact O-CB 3.46Å; L70-L73 PolarHBondContact O-N 2.94Å; L70-L73 VanDerWaalsContact O-N 3.16Å; D71-L73 VanDerWaalsContact C-N 3.27Å; D71-L73 PolarHBondContact O-N 3.43Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 3.35Å; L73-R76 WeakPolarHBondContact O-CB 3.5Å; L73-R76 PolarHBondContact O-N 3.31Å; L73-R76 VanDerWaalsContact O-N 3.12Å |
| 74 | C | 95.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.007 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60 | -39.9 | 174.7 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | L70 D71 R76 L77 Q83 C86 M87 | L70-C74 PolarHBondContact O-N 2.86Å; L70-C74 PolarHBondContact O-SG 3.47Å; L70-C74 VanDerWaalsContact O-SG 3.42Å; D71-C74 WeakPolarHBondContact O-CB 3.45Å; D71-C74 PolarHBondContact O-N 3Å; D71-C74 VanDerWaalsContact O-N 3.1Å; C74-R76 PolarHBondContact O-N 2.97Å; C74-L77 WeakPolarHBondContact O-CB 3.47Å; C74-L77 WeakPolarHBondContact O-CG 3.37Å; C74-L77 PolarHBondContact O-N 2.85Å; C74-Q83 WeakPolarHBondContact O-CG 3.39Å; C74-C86 WeakPolarHBondContact CA-SG 3.43Å; C74-C86 HydrophobicContact CB-CB 3.67Å; C74-C86 WeakPolarHBondContact CB-SG 3.27Å; C74-C86 WeakPolarHBondContact SG-CB 3.33Å; C74-C86 CovalentContact SG-SG 2.04Å; C74-C86 PolarHBondContact SG-SG 3.37Å; C74-M87 HydrophobicContact CB-CE 3.74Å; C74-M87 HydrophobicContact CB-CG 3.99Å; C74-M87 HydrophobicContact CB-SD 3.81Å |
| 75 | L | 95.9 | Very high | 93.5 | Very high | 106 Ų | 106 | 80.1 Ų | 80.1 | 56% | 0.555 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.1 | -19.2 | 176.9 | -69 | 175.4 | 0 | 0 | 0 | 114.2 | D71 L73 L77 M87 | D71-L75 WeakPolarHBondContact O-CG 3.42Å; D71-L75 PolarHBondContact O-N 2.87Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 3.35Å; L75-L77 VanDerWaalsContact C-N 3.26Å; L75-L77 PolarHBondContact O-N 3.31Å; L75-M87 HydrophobicContact CD1-CE 4.33Å; L75-M87 HydrophobicContact CD2-CE 3.65Å; L75-M87 HydrophobicContact CG-CE 3.52Å |
| 76 | R | 96.1 | Very high | 93.5 | Very high | 203 Ų | 203 | 76.3 Ų | 76.3 | 77% | 0.766 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -7.7 | 177.3 | -69.1 | 179.6 | -176.6 | -172 | 1.5 | 113.3 | A72 L73 C74 | A72-R76 WeakPolarHBondContact O-CG 3.25Å; A72-R76 PolarHBondContact O-N 3.4Å; L73-R76 WeakPolarHBondContact O-CB 3.5Å; L73-R76 PolarHBondContact O-N 3.31Å; L73-R76 VanDerWaalsContact O-N 3.12Å; C74-R76 PolarHBondContact O-N 2.97Å |
| 77 | L | 92.4 | Very high | 93.6 | Very high | 63 Ų | 63 | 75.5 Ų | 75.5 | 33% | 0.33 | 41% | 0.406 | S | S | . | . | trans | -70.2 | 137 | 179.2 | -64.6 | 172.6 | 0 | 0 | 0 | 110.7 | C74 L75 I79 A82 Q83 C86 | C74-L77 WeakPolarHBondContact O-CB 3.47Å; C74-L77 WeakPolarHBondContact O-CG 3.37Å; C74-L77 PolarHBondContact O-N 2.85Å; L75-L77 VanDerWaalsContact C-N 3.26Å; L75-L77 PolarHBondContact O-N 3.31Å; L77-I79 VanDerWaalsContact C-N 3.27Å; L77-I79 PolarHBondContact O-N 3.05Å; L77-A82 HydrophobicContact CB-CB 4.4Å; L77-A82 HydrophobicContact CD1-CB 4.16Å; L77-A82 WeakPolarHBondContact CD1-O 3.49Å; L77-Q83 HydrophobicContact CB-CG 3.91Å; L77-Q83 WeakPolarHBondContact O-CG 3.23Å; L77-Q83 PolarHBondContact O-NE2 3.03Å; L77-C86 HydrophobicContact CD1-CB 3.69Å | ||
| 78 | P | 87.8 | Confident | 93.6 | Very high | 123 Ų | 123 | 76.2 Ų | 76.2 | 80% | 0.799 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -75.1 | -12.2 | -173 | 27.8 | -33.9 | 0 | 0 | 0 | 114.4 | ||
| 79 | I | 92.6 | Very high | 93.4 | Very high | 96 Ų | 96 | 75.6 Ų | 75.6 | 49% | 0.492 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -116.5 | 127.8 | -173.4 | -58.2 | 168.9 | 0 | 0 | 0 | 109.1 | L77 E81 A82 Q83 | L77-I79 VanDerWaalsContact C-N 3.27Å; L77-I79 PolarHBondContact O-N 3.05Å; I79-E81 VanDerWaalsContact C-N 3.34Å; I79-E81 HydrophobicContact CG2-CB 4.33Å; I79-E81 VanDerWaalsContact CG2-OE2 3.24Å; I79-E81 WeakPolarHBondContact CG2-OE2 3.37Å; I79-E81 PolarHBondContact O-N 2.88Å; I79-A82 HydrophobicContact CB-CB 3.98Å; I79-A82 HydrophobicContact CG2-CB 4.42Å; I79-A82 WeakPolarHBondContact O-CA 3.3Å; I79-A82 WeakPolarHBondContact O-CB 3.07Å; I79-A82 PolarHBondContact O-N 3.35Å; I79-Q83 WeakPolarHBondContact O-CG 3.35Å; I79-Q83 PolarHBondContact O-N 2.9Å |
| 80 | V | 91.5 | Very high | 93.4 | Very high | 105 Ų | 105 | 73.1 Ų | 73.1 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | -175.1 | 179 | 0 | 0 | 0 | 0 | 111.8 | A82 Q83 S84 | V80-A82 VanDerWaalsContact C-N 3.28Å; V80-A82 PolarHBondContact O-N 3.32Å; V80-Q83 PolarHBondContact O-N 3.38Å; V80-S84 PolarHBondContact O-N 2.86Å; V80-S84 PolarHBondContact O-OG 3.25Å |
| 81 | E | 90.5 | Very high | 93.3 | Very high | 139 Ų | 139 | 75.6 Ų | 75.6 | 65% | 0.65 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.3 | -33.5 | 174.7 | -64.7 | 81.5 | -176.4 | 0 | 0 | 112.3 | I79 S84 H85 | I79-E81 VanDerWaalsContact C-N 3.34Å; I79-E81 HydrophobicContact CG2-CB 4.33Å; I79-E81 VanDerWaalsContact CG2-OE2 3.24Å; I79-E81 WeakPolarHBondContact CG2-OE2 3.37Å; I79-E81 PolarHBondContact O-N 2.88Å; E81-S84 PolarHBondContact O-OG 3.17Å; E81-S84 VanDerWaalsContact O-OG 3.06Å; E81-H85 WeakPolarHBondContact O-CB 3.41Å; E81-H85 PolarHBondContact O-N 3.42Å; E81-H85 VanDerWaalsContact O-N 3.07Å |
| 82 | A | 86.1 | Confident | 93.1 | Very high | 37 Ų | 37 | 78.8 Ų | 78.8 | 31% | 0.306 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.1 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L77 I79 V80 C86 | L77-A82 HydrophobicContact CB-CB 4.4Å; L77-A82 HydrophobicContact CD1-CB 4.16Å; L77-A82 WeakPolarHBondContact CD1-O 3.49Å; I79-A82 HydrophobicContact CB-CB 3.98Å; I79-A82 HydrophobicContact CG2-CB 4.42Å; I79-A82 WeakPolarHBondContact O-CA 3.3Å; I79-A82 WeakPolarHBondContact O-CB 3.07Å; I79-A82 PolarHBondContact O-N 3.35Å; V80-A82 VanDerWaalsContact C-N 3.28Å; V80-A82 PolarHBondContact O-N 3.32Å; A82-C86 WeakPolarHBondContact O-CB 3.24Å; A82-C86 PolarHBondContact O-N 3.02Å |
| 83 | Q | 93.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 82.1 Ų | 82.1 | 24% | 0.243 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.2 | -50.1 | 173.5 | -63.7 | -179.6 | 14.9 | 0 | 0 | 110.8 | C74 L77 I79 V80 H85 C86 M87 | C74-Q83 WeakPolarHBondContact O-CG 3.39Å; L77-Q83 HydrophobicContact CB-CG 3.91Å; L77-Q83 WeakPolarHBondContact O-CG 3.23Å; L77-Q83 PolarHBondContact O-NE2 3.03Å; I79-Q83 WeakPolarHBondContact O-CG 3.35Å; I79-Q83 PolarHBondContact O-N 2.9Å; V80-Q83 PolarHBondContact O-N 3.38Å; Q83-H85 PolarHBondContact O-N 3.44Å; Q83-C86 PolarHBondContact O-N 3.45Å; Q83-M87 VanDerWaalsContact O-CG 3.24Å; Q83-M87 WeakPolarHBondContact O-CG 3.23Å; Q83-M87 PolarHBondContact O-N 3.49Å |
| 84 | S | 92.3 | Very high | 92.5 | Very high | 73 Ų | 73 | 78.7 Ų | 78.7 | 51% | 0.51 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | -177.7 | 67 | 0 | 0 | 0 | 0 | 112.4 | V80 E81 S88 | V80-S84 PolarHBondContact O-N 2.86Å; V80-S84 PolarHBondContact O-OG 3.25Å; E81-S84 PolarHBondContact O-OG 3.17Å; E81-S84 VanDerWaalsContact O-OG 3.06Å; S84-S88 WeakPolarHBondContact O-CB 3.39Å; S84-S88 PolarHBondContact O-N 3.38Å |
| 85 | H | 90.9 | Very high | 92.3 | Very high | 115 Ų | 115 | 81.9 Ų | 81.9 | 53% | 0.532 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 173.9 | -171.7 | 64.4 | 0 | 0 | 0 | 111.3 | E81 Q83 M87 S88 Q89 | E81-H85 WeakPolarHBondContact O-CB 3.41Å; E81-H85 PolarHBondContact O-N 3.42Å; E81-H85 VanDerWaalsContact O-N 3.07Å; Q83-H85 PolarHBondContact O-N 3.44Å; H85-M87 PolarHBondContact O-N 3.44Å; H85-S88 PolarHBondContact O-N 3.46Å; H85-Q89 VanDerWaalsContact O-CG 3.28Å; H85-Q89 WeakPolarHBondContact O-CG 3.19Å; H85-Q89 PolarHBondContact O-N 2.89Å |
| 86 | C | 95.2 | Very high | 92 | Very high | 35 Ų | 35 | 81.5 Ų | 81.5 | 24% | 0.236 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -55.7 | -50.4 | 176.7 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | C74 L77 A82 Q83 S88 Q89 V90 | C74-C86 WeakPolarHBondContact CA-SG 3.43Å; C74-C86 HydrophobicContact CB-CB 3.67Å; C74-C86 WeakPolarHBondContact CB-SG 3.27Å; C74-C86 WeakPolarHBondContact SG-CB 3.33Å; C74-C86 CovalentContact SG-SG 2.04Å; C74-C86 PolarHBondContact SG-SG 3.37Å; L77-C86 HydrophobicContact CD1-CB 3.69Å; A82-C86 WeakPolarHBondContact O-CB 3.24Å; A82-C86 PolarHBondContact O-N 3.02Å; Q83-C86 PolarHBondContact O-N 3.45Å; C86-S88 VanDerWaalsContact C-N 3.34Å; C86-S88 PolarHBondContact O-N 3.12Å; C86-Q89 PolarHBondContact O-N 2.94Å; C86-Q89 VanDerWaalsContact O-N 3.16Å; C86-V90 WeakPolarHBondContact O-CG2 3.39Å; C86-V90 PolarHBondContact O-N 3.29Å |
| 87 | M | 96.7 | Very high | 91.6 | Very high | 38 Ų | 38 | 73.5 Ų | 73.5 | 19% | 0.187 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -56.6 | -48.2 | 177.4 | -70.7 | -68.3 | -172.5 | 0 | 0 | 111.6 | D71 C74 L75 Q83 H85 Q89 V90 H91 | D71-M87 HydrophobicContact CB-CE 3.94Å; D71-M87 HydrophobicContact CB-SD 3.89Å; D71-M87 WeakPolarHBondContact O-CE 3.02Å; D71-M87 VanDerWaalsContact OD1-SD 3.33Å; C74-M87 HydrophobicContact CB-CE 3.74Å; C74-M87 HydrophobicContact CB-CG 3.99Å; C74-M87 HydrophobicContact CB-SD 3.81Å; L75-M87 HydrophobicContact CD1-CE 4.33Å; L75-M87 HydrophobicContact CD2-CE 3.65Å; L75-M87 HydrophobicContact CG-CE 3.52Å; Q83-M87 VanDerWaalsContact O-CG 3.24Å; Q83-M87 WeakPolarHBondContact O-CG 3.23Å; Q83-M87 PolarHBondContact O-N 3.49Å; H85-M87 PolarHBondContact O-N 3.44Å; M87-Q89 VanDerWaalsContact C-N 3.3Å; M87-Q89 PolarHBondContact O-N 3.43Å; M87-V90 PolarHBondContact O-N 2.9Å; M87-H91 PolarHBondContact O-CD2 2.85Å; M87-H91 VanDerWaalsContact O-CG 3.29Å; M87-H91 PolarHBondContact O-N 3.07Å |
| 88 | S | 94.4 | Very high | 91.5 | Very high | 65 Ų | 65 | 71.2 Ų | 71.2 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | S84 H85 C86 M92 | S84-S88 WeakPolarHBondContact O-CB 3.39Å; S84-S88 PolarHBondContact O-N 3.38Å; H85-S88 PolarHBondContact O-N 3.46Å; C86-S88 VanDerWaalsContact C-N 3.34Å; C86-S88 PolarHBondContact O-N 3.12Å; S88-M92 WeakPolarHBondContact O-CB 3.41Å; S88-M92 PolarHBondContact O-N 3Å; S88-M92 VanDerWaalsContact O-N 3.07Å |
| 89 | Q | 91.6 | Very high | 91.5 | Very high | 66 Ų | 66 | 72.2 Ų | 72.2 | 31% | 0.308 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.3 | -43.7 | 178.5 | -63.2 | -63.1 | -82.7 | 0 | 0 | 111.7 | H85 C86 M87 M92 Y93 | H85-Q89 VanDerWaalsContact O-CG 3.28Å; H85-Q89 WeakPolarHBondContact O-CG 3.19Å; H85-Q89 PolarHBondContact O-N 2.89Å; C86-Q89 PolarHBondContact O-N 2.94Å; C86-Q89 VanDerWaalsContact O-N 3.16Å; M87-Q89 VanDerWaalsContact C-N 3.3Å; M87-Q89 PolarHBondContact O-N 3.43Å; Q89-M92 PolarHBondContact O-N 2.04Å; Q89-Y93 HydrophobicContact CB-CD2 4.3Å; Q89-Y93 WeakPolarHBondContact O-CB 3.34Å; Q89-Y93 VanDerWaalsContact O-CD2 3.27Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.41Å; Q89-Y93 PolarHBondContact O-N 3.4Å |
| 90 | V | 94.7 | Very high | 91.1 | Very high | 23 Ų | 23 | 74 Ų | 74 | 14% | 0.139 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.8 | -51 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 110 | L70 C86 M87 M92 Y93 L94 | L70-V90 HydrophobicContact CB-CG1 3.66Å; L70-V90 HydrophobicContact CB-CG2 4.05Å; L70-V90 HydrophobicContact CD1-CG1 4.09Å; C86-V90 WeakPolarHBondContact O-CG2 3.39Å; C86-V90 PolarHBondContact O-N 3.29Å; M87-V90 PolarHBondContact O-N 2.9Å; V90-M92 VanDerWaalsContact C-N 3.29Å; V90-M92 PolarHBondContact O-N 2.89Å; V90-Y93 PolarHBondContact O-N 3.43Å; V90-L94 HydrophobicContact CG1-CB 4.45Å; V90-L94 HydrophobicContact CG1-CD2 4.27Å; V90-L94 WeakPolarHBondContact O-CB 3.46Å; V90-L94 PolarHBondContact O-N 2.9Å |
| 91 | H | 94.3 | Very high | 90.6 | Very high | 88 Ų | 88 | 71.5 Ų | 71.5 | 41% | 0.407 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.2 | -31.2 | -176.6 | -62.7 | -178.4 | 0 | 0 | 0 | 112.4 | H67 D71 M87 P95 | H67-H91 AromaticContact CE1-CD2 3.12Å; H67-H91 PolarHBondContact CE1-CD2 3.5Å; H67-H91 AromaticContact CE1-CE1 3.85Å; H67-H91 AromaticContact CE1-CG 3.97Å; H67-H91 AromaticContact CE1-NE2 3.05Å; H67-H91 PolarHBondContact CE1-NE2 3.38Å; H67-H91 AromaticContact NE2-CD2 3.08Å; H67-H91 PolarHBondContact NE2-CD2 3.06Å; H67-H91 AromaticContact NE2-CG 3.73Å; H67-H91 AromaticContact NE2-NE2 3.57Å; D71-H91 IonicContact OD1-CD2 3.86Å; D71-H91 PolarHBondContact OD1-CD2 3.49Å; D71-H91 IonicContact OD1-CE1 3.84Å; D71-H91 IonicContact OD1-NE2 3.45Å; D71-H91 PolarHBondContact OD1-NE2 3.35Å; D71-H91 IonicContact OD2-NE2 3.04Å; D71-H91 PolarHBondContact OD2-NE2 3.36Å; M87-H91 PolarHBondContact O-CD2 2.85Å; M87-H91 VanDerWaalsContact O-CG 3.29Å; M87-H91 PolarHBondContact O-N 3.07Å; H91-P95 WeakPolarHBondContact O-CD 3.41Å |
| 92 | M | 91.3 | Very high | 90.4 | Very high | 93 Ų | 93 | 66.7 Ų | 66.7 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -76.2 | -46.5 | 178.8 | -177 | 172.3 | 179.3 | 0 | 0 | 112.5 | S88 Q89 V90 Q96 | S88-M92 WeakPolarHBondContact O-CB 3.41Å; S88-M92 PolarHBondContact O-N 3Å; S88-M92 VanDerWaalsContact O-N 3.07Å; Q89-M92 PolarHBondContact O-N 2.04Å; V90-M92 VanDerWaalsContact C-N 3.29Å; V90-M92 PolarHBondContact O-N 2.89Å; M92-Q96 PolarHBondContact O-NE2 2.95Å |
| 93 | Y | 88.8 | Confident | 90.3 | Very high | 117 Ų | 117 | 67.1 Ų | 67.1 | 46% | 0.459 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -97.2 | -29.3 | -168.5 | -68.8 | -68.1 | 0 | 0 | 0 | 114.1 | Q89 V90 Q96 A97 | Q89-Y93 HydrophobicContact CB-CD2 4.3Å; Q89-Y93 WeakPolarHBondContact O-CB 3.34Å; Q89-Y93 VanDerWaalsContact O-CD2 3.27Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.41Å; Q89-Y93 PolarHBondContact O-N 3.4Å; V90-Y93 PolarHBondContact O-N 3.43Å; Y93-Q96 PolarHBondContact O-N 3.16Å; Y93-A97 WeakPolarHBondContact O-CB 3.43Å; Y93-A97 PolarHBondContact O-N 3.24Å |
| 94 | L | 91.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.2 | -46.6 | -176.6 | -179.4 | 67.1 | 0 | 0 | 0 | 112.8 | I66 H67 L70 V90 Q96 A97 L98 | I66-L94 HydrophobicContact CG2-CD1 3.85Å; I66-L94 HydrophobicContact CG2-CD2 4.05Å; H67-L94 HydrophobicContact CB-CD2 3.91Å; L70-L94 HydrophobicContact CD1-CD1 3.89Å; L70-L94 HydrophobicContact CD1-CD2 3.85Å; L70-L94 HydrophobicContact CD1-CG 4.39Å; V90-L94 HydrophobicContact CG1-CB 4.45Å; V90-L94 HydrophobicContact CG1-CD2 4.27Å; V90-L94 WeakPolarHBondContact O-CB 3.46Å; V90-L94 PolarHBondContact O-N 2.9Å; L94-Q96 VanDerWaalsContact C-N 3.29Å; L94-Q96 PolarHBondContact O-N 2.92Å; L94-A97 PolarHBondContact O-N 3.05Å; L94-L98 HydrophobicContact CD1-CD1 4.17Å; L94-L98 HydrophobicContact CD1-CG 4.19Å; L94-L98 HydrophobicContact CG-CD1 3.97Å; L94-L98 HydrophobicContact CG-CG 4.42Å; L94-L98 WeakPolarHBondContact O-CG 3Å; L94-L98 PolarHBondContact O-N 3.44Å |
| 95 | P | 90.1 | Very high | 89.4 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 178.5 | -22.5 | 34.6 | 0 | 0 | 0 | 112.4 | H91 L98 Q99 | H91-P95 WeakPolarHBondContact O-CD 3.41Å; P95-L98 PolarHBondContact O-N 2.86Å; P95-Q99 WeakPolarHBondContact O-CB 3.32Å; P95-Q99 PolarHBondContact O-N 3.36Å |
| 96 | Q | 90.1 | Very high | 89.3 | Confident | 98 Ų | 98 | 65.7 Ų | 65.7 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 178.4 | -61.6 | 167.4 | 2 | 0 | 0 | 111.2 | M92 Y93 L94 Y100 | M92-Q96 PolarHBondContact O-NE2 2.95Å; Y93-Q96 PolarHBondContact O-N 3.16Å; L94-Q96 VanDerWaalsContact C-N 3.29Å; L94-Q96 PolarHBondContact O-N 2.92Å; Q96-Y100 WeakPolarHBondContact O-CB 3.24Å; Q96-Y100 PolarHBondContact O-N 3.09Å |
| 97 | A | 87.7 | Confident | 88.7 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 28% | 0.281 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y93 L94 Y100 L101 | Y93-A97 WeakPolarHBondContact O-CB 3.43Å; Y93-A97 PolarHBondContact O-N 3.24Å; L94-A97 PolarHBondContact O-N 3.05Å; A97-Y100 PolarHBondContact O-N 2.98Å; A97-L101 WeakPolarHBondContact O-CB 3Å; A97-L101 WeakPolarHBondContact O-CG 3.39Å; A97-L101 PolarHBondContact O-N 3.38Å |
| 98 | L | 89.3 | Confident | 88 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.9 | -69.2 | 169 | 0 | 0 | 0 | 111.5 | I57 Q63 I66 L94 P95 Y100 L101 T102 | I57-L98 HydrophobicContact CG2-CD2 3.87Å; Q63-L98 HydrophobicContact CB-CD1 4.18Å; Q63-L98 HydrophobicContact CG-CD1 3.85Å; I66-L98 HydrophobicContact CD1-CD2 4.34Å; L94-L98 HydrophobicContact CD1-CD1 4.17Å; L94-L98 HydrophobicContact CD1-CG 4.19Å; L94-L98 HydrophobicContact CG-CD1 3.97Å; L94-L98 HydrophobicContact CG-CG 4.42Å; L94-L98 WeakPolarHBondContact O-CG 3Å; L94-L98 PolarHBondContact O-N 3.44Å; P95-L98 PolarHBondContact O-N 2.86Å; L98-Y100 VanDerWaalsContact C-N 3.34Å; L98-Y100 PolarHBondContact O-N 3.18Å; L98-L101 PolarHBondContact O-N 3.48Å; L98-T102 WeakPolarHBondContact O-CG2 3.46Å; L98-T102 PolarHBondContact O-N 3.28Å; L98-T102 PolarHBondContact O-OG1 3.01Å |
| 99 | Q | 87.9 | Confident | 87.5 | Confident | 145 Ų | 145 | 67.9 Ų | 67.9 | 68% | 0.678 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.9 | -40.6 | 175.6 | -175.8 | -179.5 | 17.4 | 0 | 0 | 112.4 | P95 T102 G103 | P95-Q99 WeakPolarHBondContact O-CB 3.32Å; P95-Q99 PolarHBondContact O-N 3.36Å; Q99-T102 PolarHBondContact O-OG1 3.05Å; Q99-T102 VanDerWaalsContact O-OG1 3.1Å; Q99-G103 PolarHBondContact O-N 3.08Å; Q99-G103 VanDerWaalsContact O-N 3.12Å |
| 100 | Y | 85.1 | Confident | 87.1 | Confident | 132 Ų | 132 | 65.9 Ų | 65.9 | 52% | 0.518 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 176.7 | 179.8 | -100.4 | 0 | 0 | 0 | 111.4 | Q96 A97 L98 T102 G103 I104 | Q96-Y100 WeakPolarHBondContact O-CB 3.24Å; Q96-Y100 PolarHBondContact O-N 3.09Å; A97-Y100 PolarHBondContact O-N 2.98Å; L98-Y100 VanDerWaalsContact C-N 3.34Å; L98-Y100 PolarHBondContact O-N 3.18Å; Y100-T102 PolarHBondContact O-N 3.38Å; Y100-G103 PolarHBondContact O-N 2.96Å; Y100-G103 VanDerWaalsContact O-N 3.15Å; Y100-I104 HydrophobicContact CD1-CD1 4.35Å; Y100-I104 HydrophobicContact CE1-CD1 3.93Å; Y100-I104 HydrophobicContact CE1-CG2 4.08Å; Y100-I104 HydrophobicContact CE2-CG2 4.09Å; Y100-I104 PolarHBondContact O-N 3.12Å; Y100-I104 VanDerWaalsContact O-N 3.12Å |
| 101 | L | 81.8 | Confident | 86.5 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 179.4 | -75.2 | 168.8 | 0 | 0 | 0 | 111.9 | A97 L98 G103 I104 L105 | A97-L101 WeakPolarHBondContact O-CB 3Å; A97-L101 WeakPolarHBondContact O-CG 3.39Å; A97-L101 PolarHBondContact O-N 3.38Å; L98-L101 PolarHBondContact O-N 3.48Å; L101-G103 VanDerWaalsContact C-N 3.27Å; L101-G103 PolarHBondContact O-N 3.49Å; L101-I104 HydrophobicContact CD2-CD1 4.35Å; L101-I104 VanDerWaalsContact O-CG1 3.25Å; L101-I104 WeakPolarHBondContact O-CG1 3.38Å; L101-I104 PolarHBondContact O-N 3.34Å; L101-L105 WeakPolarHBondContact O-CB 3.43Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.12Å; L101-L105 PolarHBondContact O-N 2.93Å; L101-L105 VanDerWaalsContact O-N 3.17Å |
| 102 | T | 85.8 | Confident | 86 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 23% | 0.233 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68 | -29.5 | 176.8 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | I57 S58 L98 Q99 Y100 | I57-T102 HydrophobicContact CG2-CG2 3.93Å; S58-T102 WeakPolarHBondContact OG-CG2 3.28Å; L98-T102 WeakPolarHBondContact O-CG2 3.46Å; L98-T102 PolarHBondContact O-N 3.28Å; L98-T102 PolarHBondContact O-OG1 3.01Å; Q99-T102 PolarHBondContact O-OG1 3.05Å; Q99-T102 VanDerWaalsContact O-OG1 3.1Å; Y100-T102 PolarHBondContact O-N 3.38Å |
| 103 | G | 83.2 | Confident | 85.4 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69 | -30.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q99 Y100 L101 | Q99-G103 PolarHBondContact O-N 3.08Å; Q99-G103 VanDerWaalsContact O-N 3.12Å; Y100-G103 PolarHBondContact O-N 2.96Å; Y100-G103 VanDerWaalsContact O-N 3.15Å; L101-G103 VanDerWaalsContact C-N 3.27Å; L101-G103 PolarHBondContact O-N 3.49Å |
| 104 | I | 81.2 | Confident | 84.9 | Confident | 74 Ų | 74 | 65.7 Ų | 65.7 | 38% | 0.379 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -92.9 | -22.2 | -178.5 | 64.7 | 170.6 | 0 | 0 | 0 | 113.7 | Y100 L101 K106 T110 | Y100-I104 HydrophobicContact CD1-CD1 4.35Å; Y100-I104 HydrophobicContact CE1-CD1 3.93Å; Y100-I104 HydrophobicContact CE1-CG2 4.08Å; Y100-I104 HydrophobicContact CE2-CG2 4.09Å; Y100-I104 PolarHBondContact O-N 3.12Å; Y100-I104 VanDerWaalsContact O-N 3.12Å; L101-I104 HydrophobicContact CD2-CD1 4.35Å; L101-I104 VanDerWaalsContact O-CG1 3.25Å; L101-I104 WeakPolarHBondContact O-CG1 3.38Å; L101-I104 PolarHBondContact O-N 3.34Å; I104-K106 VanDerWaalsContact C-N 3.28Å; I104-K106 PolarHBondContact O-N 3.34Å; I104-K106 VanDerWaalsContact O-N 3.08Å; I104-T110 PolarHBondContact O-OG1 2.91Å |
| 105 | L | 86.4 | Confident | 84.2 | Confident | 39 Ų | 39 | 68 Ų | 68 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | trans | -86.2 | 62.5 | -178.2 | -69.9 | 174.5 | 0 | 0 | 0 | 112.1 | I50 T54 I57 L101 T110 | I50-L105 HydrophobicContact CG2-CB 4.29Å; T54-L105 WeakPolarHBondContact OG1-CB 3.44Å; T54-L105 PolarHBondContact OG1-O 3.34Å; T54-L105 VanDerWaalsContact OG1-O 3.11Å; I57-L105 HydrophobicContact CD1-CD1 4.2Å; L101-L105 WeakPolarHBondContact O-CB 3.43Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.12Å; L101-L105 PolarHBondContact O-N 2.93Å; L101-L105 VanDerWaalsContact O-N 3.17Å; L105-T110 HydrophobicContact CD2-CG2 4.44Å | ||
| 106 | K | 87.8 | Confident | 83.9 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 43% | 0.426 | 39% | 0.385 | S | S | . | . | trans | -88 | 119.8 | 172.6 | -68.6 | -179.9 | -170.2 | 165.6 | 0 | 109.9 | I104 G108 E109 T110 | I104-K106 VanDerWaalsContact C-N 3.28Å; I104-K106 PolarHBondContact O-N 3.34Å; I104-K106 VanDerWaalsContact O-N 3.08Å; K106-G108 PolarHBondContact O-N 2.98Å; K106-E109 HydrophobicContact CB-CB 4.16Å; K106-E109 HydrophobicContact CB-CG 4.38Å; K106-E109 VanDerWaalsContact CD-CD 3.43Å; K106-E109 HydrophobicContact CD-CG 4.35Å; K106-E109 VanDerWaalsContact CD-OE1 3.26Å; K106-E109 WeakPolarHBondContact CD-OE1 3.27Å; K106-E109 WeakPolarHBondContact CD-OE2 3.22Å; K106-E109 IonicContact NZ-OE1 3.22Å; K106-E109 PolarHBondContact NZ-OE1 3.46Å; K106-E109 IonicContact NZ-OE2 2.86Å; K106-E109 PolarHBondContact NZ-OE2 3.28Å; K106-E109 PolarHBondContact O-N 3.24Å; K106-E109 VanDerWaalsContact O-N 3.13Å; K106-T110 PolarHBondContact N-OG1 3.42Å; K106-T110 VanDerWaalsContact O-CB 3.31Å; K106-T110 WeakPolarHBondContact O-CB 3.44Å; K106-T110 PolarHBondContact O-N 2.87Å; K106-T110 PolarHBondContact O-OG1 2.91Å | ||
| 107 | P | 83.9 | Confident | 83.7 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 25% | 0.247 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -45.6 | -56.4 | -172.2 | -33.2 | 36.6 | 0 | 0 | 0 | 115.1 | S47 I50 E51 C111 | S47-P107 WeakPolarHBondContact O-CB 3.03Å; I50-P107 HydrophobicContact CB-CB 4.29Å; I50-P107 HydrophobicContact CB-CG 4.35Å; I50-P107 HydrophobicContact CG2-CB 4.32Å; I50-P107 HydrophobicContact CG2-CG 4.07Å; E51-P107 HydrophobicContact CB-CG 4.06Å; P107-C111 WeakPolarHBondContact O-CB 3.31Å; P107-C111 PolarHBondContact O-N 3.17Å; P107-C111 PolarHBondContact O-SG 3.43Å |
| 108 | G | 80.4 | Confident | 83.4 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.2 | -39.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K106 M112 | K106-G108 PolarHBondContact O-N 2.98Å; G108-M112 WeakPolarHBondContact O-CB 3.34Å; G108-M112 PolarHBondContact O-N 2.99Å; G108-M112 VanDerWaalsContact O-N 3.08Å |
| 109 | E | 84 | Confident | 82.2 | Confident | 107 Ų | 107 | 71.6 Ų | 71.6 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71.7 | -46 | 179.5 | -65.5 | 176.6 | -156.7 | 0 | 0 | 110.5 | K106 M112 V113 | K106-E109 HydrophobicContact CB-CB 4.16Å; K106-E109 HydrophobicContact CB-CG 4.38Å; K106-E109 VanDerWaalsContact CD-CD 3.43Å; K106-E109 HydrophobicContact CD-CG 4.35Å; K106-E109 VanDerWaalsContact CD-OE1 3.26Å; K106-E109 WeakPolarHBondContact CD-OE1 3.27Å; K106-E109 WeakPolarHBondContact CD-OE2 3.22Å; K106-E109 IonicContact NZ-OE1 3.22Å; K106-E109 PolarHBondContact NZ-OE1 3.46Å; K106-E109 IonicContact NZ-OE2 2.86Å; K106-E109 PolarHBondContact NZ-OE2 3.28Å; K106-E109 PolarHBondContact O-N 3.24Å; K106-E109 VanDerWaalsContact O-N 3.13Å; E109-M112 WeakPolarHBondContact O-CB 3.28Å; E109-M112 PolarHBondContact O-N 2.92Å; E109-V113 WeakPolarHBondContact O-CG2 3.44Å; E109-V113 PolarHBondContact O-N 2.71Å |
| 110 | T | 83.5 | Confident | 80.6 | Confident | 25 Ų | 25 | 75 Ų | 75 | 15% | 0.153 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 177.2 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | I50 I104 L105 K106 M112 V113 L114 | I50-T110 HydrophobicContact CD1-CG2 3.84Å; I50-T110 HydrophobicContact CG1-CG2 4.14Å; I104-T110 PolarHBondContact O-OG1 2.91Å; L105-T110 HydrophobicContact CD2-CG2 4.44Å; K106-T110 PolarHBondContact N-OG1 3.42Å; K106-T110 VanDerWaalsContact O-CB 3.31Å; K106-T110 WeakPolarHBondContact O-CB 3.44Å; K106-T110 PolarHBondContact O-N 2.87Å; K106-T110 PolarHBondContact O-OG1 2.91Å; T110-M112 VanDerWaalsContact C-N 3.28Å; T110-M112 PolarHBondContact O-N 2.86Å; T110-V113 PolarHBondContact O-N 3.02Å; T110-L114 HydrophobicContact CG2-CD1 4.12Å; T110-L114 VanDerWaalsContact O-CG 3.26Å; T110-L114 WeakPolarHBondContact O-CG 3.21Å; T110-L114 PolarHBondContact O-N 3.33Å |
| 111 | C | 83.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -68 | -26.2 | 178.8 | -66.9 | 0 | 0 | 0 | 0 | 113.4 | C46 S47 P107 G115 L116 C117 | C46-C111 HydrophobicContact CB-CB 3.88Å; C46-C111 WeakPolarHBondContact CB-SG 3.12Å; C46-C111 PolarHBondContact O-SG 3.01Å; C46-C111 VanDerWaalsContact O-SG 3.41Å; C46-C111 VanDerWaalsContact SG-CA 3.57Å; C46-C111 WeakPolarHBondContact SG-CB 3.39Å; C46-C111 CovalentContact SG-SG 2.03Å; C46-C111 PolarHBondContact SG-SG 3.36Å; S47-C111 PolarHBondContact N-SG 3.43Å; S47-C111 VanDerWaalsContact N-SG 3.39Å; P107-C111 WeakPolarHBondContact O-CB 3.31Å; P107-C111 PolarHBondContact O-N 3.17Å; P107-C111 PolarHBondContact O-SG 3.43Å; C111-G115 PolarHBondContact O-N 2.91Å; C111-L116 PolarHBondContact O-N 3.49Å; C111-C117 HydrophobicContact CB-CB 4.23Å; C111-C117 WeakPolarHBondContact CB-SG 3.39Å; C111-C117 PolarHBondContact O-N 3.49Å; C111-C117 VanDerWaalsContact O-N 3.07Å |
| 112 | M | 82.8 | Confident | 76.6 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 39% | 0.394 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.4 | -42.7 | 172.6 | -170.7 | -174.8 | -40.3 | 0 | 0 | 111.8 | G108 E109 T110 L114 G115 C117 V119 | G108-M112 WeakPolarHBondContact O-CB 3.34Å; G108-M112 PolarHBondContact O-N 2.99Å; G108-M112 VanDerWaalsContact O-N 3.08Å; E109-M112 WeakPolarHBondContact O-CB 3.28Å; E109-M112 PolarHBondContact O-N 2.92Å; T110-M112 VanDerWaalsContact C-N 3.28Å; T110-M112 PolarHBondContact O-N 2.86Å; M112-L114 PolarHBondContact O-N 3.34Å; M112-G115 PolarHBondContact O-N 3.35Å; M112-C117 HydrophobicContact CB-CB 4.4Å; M112-V119 HydrophobicContact CG-CG2 3.99Å; M112-V119 HydrophobicContact SD-CB 4.49Å; M112-V119 HydrophobicContact SD-CG1 4.48Å; M112-V119 HydrophobicContact SD-CG2 4.03Å |
| 113 | V | 78.8 | Confident | 74.2 | Confident | 131 Ų | 131 | 87.1 Ų | 87.1 | 79% | 0.794 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | 172.6 | 171.8 | 0 | 0 | 0 | 0 | 111 | E109 T110 G115 | E109-V113 WeakPolarHBondContact O-CG2 3.44Å; E109-V113 PolarHBondContact O-N 2.71Å; T110-V113 PolarHBondContact O-N 3.02Å; V113-G115 PolarHBondContact O-N 2.96Å |
| 114 | L | 77.6 | Confident | 71.8 | Confident | 106 Ų | 106 | 93.6 Ų | 93.6 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -3.6 | 174.7 | -65.5 | 173.8 | 0 | 0 | 0 | 113.6 | T110 M112 L116 | T110-L114 HydrophobicContact CG2-CD1 4.12Å; T110-L114 VanDerWaalsContact O-CG 3.26Å; T110-L114 WeakPolarHBondContact O-CG 3.21Å; T110-L114 PolarHBondContact O-N 3.33Å; M112-L114 PolarHBondContact O-N 3.34Å; L114-L116 HydrophobicContact CB-CD1 4.08Å; L114-L116 HydrophobicContact CB-CG 4.14Å; L114-L116 HydrophobicContact CD1-CD1 4.42Å; L114-L116 PolarHBondContact O-N 3.4Å |
| 115 | G | 77.8 | Confident | 69.4 | Low | 63 Ų | 63 | 94.1 Ų | 94.1 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 11.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C111 M112 V113 | C111-G115 PolarHBondContact O-N 2.91Å; M112-G115 PolarHBondContact O-N 3.35Å; V113-G115 PolarHBondContact O-N 2.96Å |
| 116 | L | 83.9 | Confident | 67.1 | Low | 76 Ų | 76 | 98.3 Ų | 98.3 | 40% | 0.398 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -87.9 | -21.3 | -179.7 | -61.7 | 173.5 | 0 | 0 | 0 | 112.1 | I42 C43 C46 C111 L114 | I42-L116 HydrophobicContact CG2-CB 4.34Å; I42-L116 HydrophobicContact CG2-CD2 3.75Å; C43-L116 WeakPolarHBondContact CA-O 3.27Å; C43-L116 WeakPolarHBondContact CB-O 3.47Å; C46-L116 HydrophobicContact CB-CB 4.06Å; C46-L116 HydrophobicContact CB-CD1 3.84Å; C46-L116 WeakPolarHBondContact SG-CD1 3.38Å; C111-L116 PolarHBondContact O-N 3.49Å; L114-L116 HydrophobicContact CB-CD1 4.08Å; L114-L116 HydrophobicContact CB-CG 4.14Å; L114-L116 HydrophobicContact CD1-CD1 4.42Å; L114-L116 PolarHBondContact O-N 3.4Å |
| 117 | C | 85.9 | Confident | 64.3 | Low | 14 Ų | 14 | 102 Ų | 102 | 10% | 0.095 | 56% | 0.561 | C | S | . | * | S | Bend | trans | -111.6 | 137.1 | 171.1 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | C43 C111 M112 | C43-C117 VanDerWaalsContact CA-SG 3.51Å; C43-C117 HydrophobicContact CB-CB 3.99Å; C43-C117 WeakPolarHBondContact CB-SG 3.46Å; C43-C117 VanDerWaalsContact SG-CA 3.58Å; C43-C117 WeakPolarHBondContact SG-CB 3.48Å; C43-C117 CovalentContact SG-SG 2.04Å; C43-C117 PolarHBondContact SG-SG 3.01Å; C111-C117 HydrophobicContact CB-CB 4.23Å; C111-C117 WeakPolarHBondContact CB-SG 3.39Å; C111-C117 PolarHBondContact O-N 3.49Å; C111-C117 VanDerWaalsContact O-N 3.07Å; M112-C117 HydrophobicContact CB-CB 4.4Å |
| 118 | A | 80.9 | Confident | 62.1 | Low | 87 Ų | 87 | 106 Ų | 106 | 72% | 0.719 | 59% | 0.588 | S | S | * | * | trans | -67.5 | 139 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | R120 | A118-R120 PolarHBondContact O-N 3.38Š| ||
| 119 | V | 63.9 | Low | 59.8 | Low | 114 Ų | 114 | 112.1 Ų | 112.1 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | trans | -65.3 | 102.5 | 170 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | M112 S121 | M112-V119 HydrophobicContact CG-CG2 3.99Å; M112-V119 HydrophobicContact SD-CB 4.49Å; M112-V119 HydrophobicContact SD-CG1 4.48Å; M112-V119 HydrophobicContact SD-CG2 4.03Å; V119-S121 VanDerWaalsContact C-N 3.3Å; V119-S121 PolarHBondContact O-N 3.42Å | ||
| 120 | R | 54.6 | Low | 57.5 | Low | 216 Ų | 216 | 112.2 Ų | 112.2 | 82% | 0.815 | 62% | 0.62 | S | S | * | * | trans | -70.8 | 91.1 | 167.7 | -80.9 | -172.6 | 176.7 | -174.6 | 2.3 | 108.4 | A118 E122 | A118-R120 PolarHBondContact O-N 3.38Å; R120-E122 PolarHBondContact O-N 3.49Å; R120-E122 VanDerWaalsContact O-N 3.13Å | ||
| 121 | S | 43.7 | Very low | 55.6 | Low | 95 Ų | 95 | 116.5 Ų | 116.5 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | trans | -68.7 | 102.5 | 153.6 | -175.4 | 0 | 0 | 0 | 0 | 105.9 | V119 R123 | V119-S121 VanDerWaalsContact C-N 3.3Å; V119-S121 PolarHBondContact O-N 3.42Å; S121-R123 PolarHBondContact O-N 2.98Å | ||
| 122 | E | 38.4 | Very low | 53.1 | Low | 155 Ų | 155 | 122.6 Ų | 122.6 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | trans | -64.2 | 82.8 | 168.9 | -66.8 | -146.1 | 161.9 | 0 | 0 | 109 | R120 K124 | R120-E122 PolarHBondContact O-N 3.49Å; R120-E122 VanDerWaalsContact O-N 3.13Å; E122-K124 PolarHBondContact O-N 3.2Å | ||
| 123 | R | 36.3 | Very low | 50.7 | Low | 227 Ų | 227 | 127.5 Ų | 127.5 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | trans | -67.8 | 92.2 | 156.4 | -69.7 | -170 | -170.2 | 163 | 3.8 | 106.3 | S121 A125 | S121-R123 PolarHBondContact O-N 2.98Å; R123-A125 PolarHBondContact O-N 3.1Å | ||
| 124 | K | 32 | Very low | 48.5 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | trans | -54.2 | 111.7 | 152.3 | -86.2 | -177.5 | 176.4 | 178.5 | 0 | 106.4 | E122 | E122-K124 PolarHBondContact O-N 3.2Š| ||
| 125 | A | 31.7 | Very low | 46.5 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -56 | 135.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108 | R123 E127 | R123-A125 PolarHBondContact O-N 3.1Å; A125-E127 PolarHBondContact O-N 3.09Å |
| 126 | P | 37.6 | Very low | 44.5 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 123.8 | 174.6 | -15.9 | 28.9 | 0 | 0 | 0 | 109.2 | ||
| 127 | E | 30.1 | Very low | 42.1 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -64 | 137.2 | 168.3 | -162.6 | 163.7 | 175.4 | 0 | 0 | 109.1 | A125 L129 | A125-E127 PolarHBondContact O-N 3.09Å; E127-L129 PolarHBondContact O-N 3.17Å |
| 128 | P | 36.8 | Very low | 39.5 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 116.7 | -177.7 | 26.4 | -24 | 0 | 0 | 0 | 110 | ||
| 129 | L | 31.5 | Very low | 37.5 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 148.1 | 169.2 | -75.9 | 169.4 | 0 | 0 | 0 | 111.5 | E127 | E127-L129 PolarHBondContact O-N 3.17Š|
| 130 | P | 36.8 | Very low | 36.2 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 166 | -175.4 | 25.2 | -16.1 | 0 | 0 | 0 | 113.1 | ||
| 131 | P | 43.7 | Very low | 34.8 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -90 | 138.2 | -166 | 34.5 | -31.4 | 0 | 0 | 0 | 112.3 | ||
| 132 | T | 29.9 | Very low | 34.5 | Very low | 129 Ų | 129 | 143 Ų | 143 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -165.1 | 111.2 | 148.7 | -0.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 133 | F | 32.2 | Very low | 34.1 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 80% | 0.803 | 79% | 0.791 | S | S | * | * | trans | 28.3 | 115.9 | 135.2 | -69.1 | -81.5 | 0 | 0 | 0 | 120.7 | ||||
| 134 | N | 32.8 | Very low | 33.9 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | 160.5 | 146.7 | 85.7 | -94.8 | -16.7 | 0 | 0 | 0 | 112 | |||||
| 135 | D | 36.7 | Very low | 33.7 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -58.3 | 137.9 | -177.1 | -51.2 | -68.8 | 0 | 0 | 0 | 114.9 | ||||
| 136 | I | 34.3 | Very low | 34.1 | Very low | 163 Ų | 163 | 135 Ų | 135 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -145.7 | 112 | 135.7 | -59.9 | -172.6 | 0 | 0 | 0 | 108.4 | ||||
| 137 | D | 34.7 | Very low | 33.6 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -71.8 | 124.8 | 160.8 | 174.2 | 20 | 0 | 0 | 0 | 109.1 | ||||
| 138 | L | 32 | Very low | 33.6 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -146.4 | 103.6 | 156.5 | -153.7 | 70.9 | 0 | 0 | 0 | 110.4 | ||||
| 139 | S | 38.6 | Very low | 33.4 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 57% | 0.573 | 77% | 0.767 | S | S | * | * | trans | -64.6 | 142.6 | 173.6 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 140 | N | 36.2 | Very low | 33.5 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 82.8 | 97.4 | 154 | -55.8 | -32.8 | 0 | 0 | 0 | 119.8 | ||||
| 141 | A | 25.8 | Very low | 33.7 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -133.2 | 106.9 | 133.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L143 | A141-L143 PolarHBondContact O-N 3.25Š| ||
| 142 | V | 36.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -70.8 | 116.2 | 164.4 | 169.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 143 | L | 29.4 | Very low | 34.9 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | trans | -141.9 | 108.1 | 150.2 | -76.1 | -179 | 0 | 0 | 0 | 108.7 | A141 | A141-L143 PolarHBondContact O-N 3.25Š| ||
| 144 | D | 32.4 | Very low | 36.5 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -12.5 | 126.2 | 146.9 | -171.1 | 25.2 | 0 | 0 | 0 | 115.8 | G146 | D144-G146 PolarHBondContact OD1-N 3.18Š| ||
| 145 | S | 27.4 | Very low | 38.4 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | trans | -149.9 | 96 | 145.3 | -165.6 | 0 | 0 | 0 | 0 | 107.2 | T147 | S145-T147 PolarHBondContact O-N 3.03Š| ||
| 146 | G | 40.2 | Very low | 39.8 | Very low | 65 Ų | 65 | 117.4 Ų | 117.4 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | trans | -53 | 128.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110 | D144 | D144-G146 PolarHBondContact OD1-N 3.18Š| ||
| 147 | T | 26.4 | Very low | 41.5 | Very low | 117 Ų | 117 | 110 Ų | 110 | 72% | 0.718 | 65% | 0.649 | S | S | * | * | trans | -120 | 106.1 | 166.1 | -47.8 | 0 | 0 | 0 | 0 | 107.3 | S145 | S145-T147 PolarHBondContact O-N 3.03Š| ||
| 148 | S | 30.3 | Very low | 43.5 | Very low | 95 Ų | 95 | 107.3 Ų | 107.3 | 66% | 0.664 | 64% | 0.638 | S | S | * | * | trans | -44.7 | 144.4 | 160.3 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | E150 | S148-E150 PolarHBondContact O-N 3.3Š| ||
| 149 | P | 34 | Very low | 45.6 | Very low | 112 Ų | 112 | 105.9 Ų | 105.9 | 73% | 0.727 | 63% | 0.625 | S | S | * | * | trans | -60.7 | 124.6 | 173.6 | 24.4 | -30.7 | 0 | 0 | 0 | 109.6 | V151 | P149-V151 PolarHBondContact O-N 3.47Å; P149-V151 VanDerWaalsContact O-N 3.16Å | ||
| 150 | E | 32.8 | Very low | 47 | Very low | 176 Ų | 176 | 102.3 Ų | 102.3 | 82% | 0.822 | 60% | 0.6 | S | S | * | * | trans | -63.4 | 109.5 | 175.7 | -73.8 | 178.3 | 147.2 | 0 | 0 | 109.8 | S148 | S148-E150 PolarHBondContact O-N 3.3Š| ||
| 151 | V | 42 | Very low | 48.8 | Very low | 80 Ų | 80 | 95.6 Ų | 95.6 | 49% | 0.485 | 57% | 0.565 | S | S | . | * | trans | -74.6 | 121.8 | 167.8 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | P149 I153 | P149-V151 PolarHBondContact O-N 3.47Å; P149-V151 VanDerWaalsContact O-N 3.16Å; V151-I153 HydrophobicContact CB-CG1 4.15Å; V151-I153 HydrophobicContact CG1-CD1 4.5Å; V151-I153 HydrophobicContact CG1-CG1 3.63Å; V151-I153 PolarHBondContact O-N 3.49Å | ||
| 152 | Q | 46.5 | Very low | 51.3 | Low | 157 Ų | 157 | 97.9 Ų | 97.9 | 73% | 0.734 | 55% | 0.552 | S | S | * | * | trans | -76.2 | 92.5 | 168.2 | -71.6 | -147.6 | 21.2 | 0 | 0 | 109.8 | S154 | Q152-S154 PolarHBondContact O-N 3.31Š| ||
| 153 | I | 52.4 | Low | 53.1 | Low | 107 Ų | 107 | 95 Ų | 95 | 55% | 0.549 | 53% | 0.532 | S | S | . | . | trans | -82 | 103.7 | 176.8 | -55.7 | 172.9 | 0 | 0 | 0 | 108.1 | V151 C157 T158 | V151-I153 HydrophobicContact CB-CG1 4.15Å; V151-I153 HydrophobicContact CG1-CD1 4.5Å; V151-I153 HydrophobicContact CG1-CG1 3.63Å; V151-I153 PolarHBondContact O-N 3.49Å; I153-C157 HydrophobicContact CG2-CB 4.28Å; I153-T158 WeakPolarHBondContact CG2-OG1 3.03Å | ||
| 154 | S | 65.3 | Low | 55.4 | Low | 28 Ų | 28 | 88.6 Ų | 88.6 | 20% | 0.196 | 50% | 0.498 | C | S | . | . | trans | -69 | 154.6 | 170.4 | 75.8 | 0 | 0 | 0 | 0 | 110.7 | Q152 Q156 C157 T158 L229 | Q152-S154 PolarHBondContact O-N 3.31Å; S154-Q156 PolarHBondContact O-N 3.02Å; S154-Q156 PolarHBondContact OG-OE1 2.03Å; S154-C157 WeakPolarHBondContact O-CB 3.37Å; S154-C157 PolarHBondContact O-N 3.5Å; S154-C157 VanDerWaalsContact O-N 3.07Å; S154-C157 WeakPolarHBondContact OG-CB 3.18Å; S154-C157 PolarHBondContact OG-N 3.29Å; S154-T158 PolarHBondContact O-N 3.11Å; S154-T158 PolarHBondContact O-OG1 2.7Å; S154-L229 PolarHBondContact OG-O 2.85Å | ||
| 155 | P | 72.4 | Confident | 57.2 | Low | 102 Ų | 102 | 86.9 Ų | 86.9 | 66% | 0.662 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -55.8 | -33.1 | 172.7 | -24.8 | 33.3 | 0 | 0 | 0 | 112.6 | F159 | P155-F159 WeakPolarHBondContact O-CB 3.04Å; P155-F159 PolarHBondContact O-N 3.27Å |
| 156 | Q | 65.3 | Low | 59.4 | Low | 76 Ų | 76 | 86.8 Ų | 86.8 | 36% | 0.355 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 176.6 | -55.7 | 81 | 2.7 | 0 | 0 | 111.6 | S154 F159 C160 L229 | S154-Q156 PolarHBondContact O-N 3.02Å; S154-Q156 PolarHBondContact OG-OE1 2.03Å; Q156-F159 PolarHBondContact O-N 2.93Å; Q156-C160 VanDerWaalsContact O-CB 3.26Å; Q156-C160 WeakPolarHBondContact O-CB 3.12Å; Q156-C160 PolarHBondContact O-N 2.81Å; Q156-L229 HydrophobicContact CB-CD2 4.35Å |
| 157 | C | 70.8 | Confident | 60.7 | Low | 7 Ų | 7 | 88 Ų | 88 | 5% | 0.047 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | I153 S154 F159 C160 V161 L229 C230 | I153-C157 HydrophobicContact CG2-CB 4.28Å; S154-C157 WeakPolarHBondContact O-CB 3.37Å; S154-C157 PolarHBondContact O-N 3.5Å; S154-C157 VanDerWaalsContact O-N 3.07Å; S154-C157 WeakPolarHBondContact OG-CB 3.18Å; S154-C157 PolarHBondContact OG-N 3.29Å; C157-F159 VanDerWaalsContact C-N 3.34Å; C157-F159 PolarHBondContact O-N 3.35Å; C157-C160 PolarHBondContact O-N 2.7Å; C157-V161 WeakPolarHBondContact O-CB 3.47Å; C157-V161 VanDerWaalsContact O-CG2 3.29Å; C157-V161 WeakPolarHBondContact O-CG2 3.31Å; C157-V161 PolarHBondContact O-N 2.95Å; C157-L229 WeakPolarHBondContact CA-O 3.23Å; C157-L229 VanDerWaalsContact CB-O 3.29Å; C157-L229 WeakPolarHBondContact CB-O 3.19Å; C157-L229 PolarHBondContact N-O 2.89Å; C157-C230 WeakPolarHBondContact CA-SG 3.39Å; C157-C230 HydrophobicContact CB-CB 3.87Å; C157-C230 WeakPolarHBondContact CB-SG 3.41Å; C157-C230 VanDerWaalsContact SG-CA 3.57Å; C157-C230 WeakPolarHBondContact SG-CB 3.37Å; C157-C230 CovalentContact SG-SG 2.04Å; C157-C230 PolarHBondContact SG-SG 3.23Å |
| 158 | T | 77 | Confident | 62.6 | Low | 79 Ų | 79 | 85.6 Ų | 85.6 | 49% | 0.485 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 178.7 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | I153 S154 V161 Y162 | I153-T158 WeakPolarHBondContact CG2-OG1 3.03Å; S154-T158 PolarHBondContact O-N 3.11Å; S154-T158 PolarHBondContact O-OG1 2.7Å; T158-V161 PolarHBondContact O-N 3.11Å; T158-Y162 VanDerWaalsContact O-CB 3.32Å; T158-Y162 WeakPolarHBondContact O-CB 3.42Å; T158-Y162 PolarHBondContact O-N 3.33Å |
| 159 | F | 75.6 | Confident | 64.4 | Low | 135 Ų | 135 | 84.8 Ų | 84.8 | 59% | 0.592 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.3 | -43.7 | -179.8 | -178.7 | -107.8 | 0 | 0 | 0 | 112.1 | P155 Q156 C157 Y162 L163 | P155-F159 WeakPolarHBondContact O-CB 3.04Å; P155-F159 PolarHBondContact O-N 3.27Å; Q156-F159 PolarHBondContact O-N 2.93Å; C157-F159 VanDerWaalsContact C-N 3.34Å; C157-F159 PolarHBondContact O-N 3.35Å; F159-Y162 PolarHBondContact O-N 3.17Å; F159-L163 WeakPolarHBondContact O-CB 3.18Å; F159-L163 PolarHBondContact O-N 3.07Å |
| 160 | C | 68.6 | Low | 65.7 | Low | 7 Ų | 7 | 85.3 Ų | 85.3 | 5% | 0.047 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | Q156 C157 Y162 L163 M164 C224 L229 | Q156-C160 VanDerWaalsContact O-CB 3.26Å; Q156-C160 WeakPolarHBondContact O-CB 3.12Å; Q156-C160 PolarHBondContact O-N 2.81Å; C157-C160 PolarHBondContact O-N 2.7Å; C160-Y162 VanDerWaalsContact C-N 3.3Å; C160-Y162 PolarHBondContact O-N 3.34Å; C160-L163 PolarHBondContact O-N 3.04Å; C160-M164 WeakPolarHBondContact O-CB 3.27Å; C160-M164 VanDerWaalsContact O-CG 3.32Å; C160-M164 WeakPolarHBondContact O-CG 3.45Å; C160-M164 PolarHBondContact O-N 2.93Å; C160-C224 HydrophobicContact CB-CB 3.76Å; C160-C224 WeakPolarHBondContact CB-SG 3.09Å; C160-C224 PolarHBondContact O-SG 2.03Å; C160-C224 VanDerWaalsContact O-SG 3.41Å; C160-C224 WeakPolarHBondContact SG-CA 3.39Å; C160-C224 WeakPolarHBondContact SG-CB 3.45Å; C160-C224 CovalentContact SG-SG 2.03Å; C160-C224 PolarHBondContact SG-SG 3.3Å; C160-L229 HydrophobicContact CB-CB 4.33Å; C160-L229 HydrophobicContact CB-CD1 3.8Å |
| 161 | V | 74.3 | Confident | 67.2 | Low | 12 Ų | 12 | 79 Ų | 79 | 7% | 0.073 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 179.5 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | C157 T158 K165 H221 C224 | C157-V161 WeakPolarHBondContact O-CB 3.47Å; C157-V161 VanDerWaalsContact O-CG2 3.29Å; C157-V161 WeakPolarHBondContact O-CG2 3.31Å; C157-V161 PolarHBondContact O-N 2.95Å; T158-V161 PolarHBondContact O-N 3.11Å; V161-K165 HydrophobicContact CG1-CD 4.13Å; V161-K165 WeakPolarHBondContact O-CB 3.32Å; V161-K165 VanDerWaalsContact O-CG 3.31Å; V161-K165 WeakPolarHBondContact O-CG 3.35Å; V161-K165 PolarHBondContact O-N 3.37Å; V161-H221 VanDerWaalsContact CG1-CE1 3.43Å; V161-H221 WeakPolarHBondContact CG1-CE1 2.98Å; V161-H221 WeakPolarHBondContact CG1-NE2 3.25Å; V161-H221 VanDerWaalsContact CG2-CD2 3.5Å; V161-H221 WeakPolarHBondContact CG2-CD2 3.06Å; V161-C224 HydrophobicContact CG2-CB 4.18Å; V161-C224 PolarHBondContact N-SG 2.97Å |
| 162 | Y | 76.6 | Confident | 68.1 | Low | 150 Ų | 150 | 77 Ų | 77 | 59% | 0.588 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.2 | -47.7 | 175.4 | 174.4 | -95.7 | 0 | 0 | 0 | 111.7 | T158 F159 C160 K165 K166 | T158-Y162 VanDerWaalsContact O-CB 3.32Å; T158-Y162 WeakPolarHBondContact O-CB 3.42Å; T158-Y162 PolarHBondContact O-N 3.33Å; F159-Y162 PolarHBondContact O-N 3.17Å; C160-Y162 VanDerWaalsContact C-N 3.3Å; C160-Y162 PolarHBondContact O-N 3.34Å; Y162-K165 PolarHBondContact O-N 3.34Å; Y162-K166 WeakPolarHBondContact O-CB 3.22Å; Y162-K166 PolarHBondContact O-N 3.26Å |
| 163 | L | 75.6 | Confident | 68.6 | Low | 72 Ų | 72 | 76.8 Ų | 76.8 | 38% | 0.377 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 179 | -177.5 | 64.1 | 0 | 0 | 0 | 111.3 | F159 C160 K166 L167 | F159-L163 WeakPolarHBondContact O-CB 3.18Å; F159-L163 PolarHBondContact O-N 3.07Å; C160-L163 PolarHBondContact O-N 3.04Å; L163-K166 WeakPolarHBondContact O-CB 3.41Å; L163-K166 PolarHBondContact O-N 2.94Å; L163-L167 HydrophobicContact CG-CD1 4.31Å; L163-L167 WeakPolarHBondContact O-CG 3.32Å; L163-L167 PolarHBondContact O-N 2.86Å |
| 164 | M | 77.4 | Confident | 69 | Low | 33 Ų | 33 | 78.2 Ų | 78.2 | 16% | 0.163 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 178.5 | -70.4 | -53.9 | 107.4 | 0 | 0 | 111.7 | C160 K166 L167 E168 P220 I223 | C160-M164 WeakPolarHBondContact O-CB 3.27Å; C160-M164 VanDerWaalsContact O-CG 3.32Å; C160-M164 WeakPolarHBondContact O-CG 3.45Å; C160-M164 PolarHBondContact O-N 2.93Å; M164-K166 VanDerWaalsContact C-N 3.29Å; M164-K166 PolarHBondContact O-N 3.18Å; M164-L167 HydrophobicContact CE-CD1 3.67Å; M164-L167 PolarHBondContact O-N 2.91Å; M164-L167 HydrophobicContact SD-CD1 4.36Å; M164-E168 WeakPolarHBondContact O-CG 3.25Å; M164-E168 PolarHBondContact O-N 3.31Å; M164-P220 HydrophobicContact CB-CB 3.56Å; M164-P220 HydrophobicContact CB-CG 4.24Å; M164-I223 HydrophobicContact CG-CB 4.27Å; M164-I223 HydrophobicContact CG-CG2 4.16Å; M164-I223 HydrophobicContact SD-CB 4.32Å; M164-I223 HydrophobicContact SD-CD1 4.05Å; M164-I223 HydrophobicContact SD-CG2 3.75Å |
| 165 | K | 70.9 | Confident | 68.8 | Low | 111 Ų | 111 | 82 Ų | 82 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 172.3 | -78.4 | 179.8 | 175.6 | -178.9 | 0 | 112.4 | V161 Y162 E168 S169 P220 | V161-K165 HydrophobicContact CG1-CD 4.13Å; V161-K165 WeakPolarHBondContact O-CB 3.32Å; V161-K165 VanDerWaalsContact O-CG 3.31Å; V161-K165 WeakPolarHBondContact O-CG 3.35Å; V161-K165 PolarHBondContact O-N 3.37Å; Y162-K165 PolarHBondContact O-N 3.34Å; K165-E168 PolarHBondContact O-N 2.96Å; K165-S169 WeakPolarHBondContact O-CB 3.37Å; K165-S169 PolarHBondContact O-N 3.48Å; K165-P220 HydrophobicContact CG-CB 3.97Å; K165-P220 HydrophobicContact CG-CG 3.79Å |
| 166 | K | 72.9 | Confident | 68.7 | Low | 101 Ų | 101 | 80 Ų | 80 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 178.7 | -173.7 | 61.7 | 179.4 | 172.2 | 0 | 110.9 | Y162 L163 M164 S169 M170 | Y162-K166 WeakPolarHBondContact O-CB 3.22Å; Y162-K166 PolarHBondContact O-N 3.26Å; L163-K166 WeakPolarHBondContact O-CB 3.41Å; L163-K166 PolarHBondContact O-N 2.94Å; M164-K166 VanDerWaalsContact C-N 3.29Å; M164-K166 PolarHBondContact O-N 3.18Å; K166-S169 PolarHBondContact O-N 3.49Å; K166-S169 PolarHBondContact O-OG 3.22Å; K166-M170 WeakPolarHBondContact O-CG 3.48Å; K166-M170 PolarHBondContact O-N 3.33Å |
| 167 | L | 67.1 | Low | 68.7 | Low | 91 Ų | 91 | 80.2 Ų | 80.2 | 48% | 0.476 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 174.4 | -69.1 | 171.5 | 0 | 0 | 0 | 111.5 | L163 M164 S169 M170 L171 | L163-L167 HydrophobicContact CG-CD1 4.31Å; L163-L167 WeakPolarHBondContact O-CG 3.32Å; L163-L167 PolarHBondContact O-N 2.86Å; M164-L167 HydrophobicContact CE-CD1 3.67Å; M164-L167 PolarHBondContact O-N 2.91Å; M164-L167 HydrophobicContact SD-CD1 4.36Å; L167-S169 VanDerWaalsContact C-N 3.31Å; L167-S169 PolarHBondContact O-N 3.01Å; L167-M170 PolarHBondContact O-N 3.17Å; L167-M170 VanDerWaalsContact O-N 3.12Å; L167-L171 PolarHBondContact O-N 3.17Å |
| 168 | E | 67.1 | Low | 68.5 | Low | 66 Ų | 66 | 86.2 Ų | 86.2 | 31% | 0.308 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 173.4 | -76.6 | -176.5 | 170.3 | 0 | 0 | 112.7 | M164 K165 M170 L171 P220 | M164-E168 WeakPolarHBondContact O-CG 3.25Å; M164-E168 PolarHBondContact O-N 3.31Å; K165-E168 PolarHBondContact O-N 2.96Å; E168-M170 PolarHBondContact O-N 3.41Å; E168-L171 WeakPolarHBondContact O-CB 3.43Å; E168-L171 PolarHBondContact O-N 3.32Å; E168-L171 VanDerWaalsContact O-N 3.07Å; E168-P220 HydrophobicContact CG-CG 4.39Å; E168-P220 WeakPolarHBondContact OE1-CD 3.36Å; E168-P220 VanDerWaalsContact OE1-CG 3.3Å; E168-P220 WeakPolarHBondContact OE1-CG 3.29Å; E168-P220 WeakPolarHBondContact OE2-CD 3.32Å; E168-P220 WeakPolarHBondContact OE2-CG 3.33Å |
| 169 | S | 66.9 | Low | 68.2 | Low | 79 Ų | 79 | 83.6 Ų | 83.6 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.6 | -16.2 | 177.7 | 76.2 | 0 | 0 | 0 | 0 | 114.1 | K165 K166 L167 | K165-S169 WeakPolarHBondContact O-CB 3.37Å; K165-S169 PolarHBondContact O-N 3.48Å; K166-S169 PolarHBondContact O-N 3.49Å; K166-S169 PolarHBondContact O-OG 3.22Å; L167-S169 VanDerWaalsContact C-N 3.31Å; L167-S169 PolarHBondContact O-N 3.01Å |
| 170 | M | 62.4 | Low | 67.9 | Low | 123 Ų | 123 | 77.4 Ų | 77.4 | 61% | 0.606 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -8.5 | 175.1 | -67.7 | 174.8 | 122.7 | 0 | 0 | 111.7 | K166 L167 E168 | K166-M170 WeakPolarHBondContact O-CG 3.48Å; K166-M170 PolarHBondContact O-N 3.33Å; L167-M170 PolarHBondContact O-N 3.17Å; L167-M170 VanDerWaalsContact O-N 3.12Å; E168-M170 PolarHBondContact O-N 3.41Å |
| 171 | L | 64.2 | Low | 68.1 | Low | 44 Ų | 44 | 79.5 Ų | 79.5 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -74.9 | 145.7 | 169.5 | -64.5 | 174.4 | 0 | 0 | 0 | 110.1 | L167 E168 | L167-L171 PolarHBondContact O-N 3.17Å; E168-L171 WeakPolarHBondContact O-CB 3.43Å; E168-L171 PolarHBondContact O-N 3.32Å; E168-L171 VanDerWaalsContact O-N 3.07Å |
| 172 | P | 60.9 | Low | 68.2 | Low | 38 Ų | 38 | 85.7 Ų | 85.7 | 25% | 0.247 | 43% | 0.434 | C | S | . | . | trans | -58.9 | 141.4 | 176.3 | -18 | 30.2 | 0 | 0 | 0 | 111 | E174 A179 | P172-E174 CarbonylContact O-C 3.57Å; P172-E174 PolarHBondContact O-N 3.11Å; P172-A179 HydrophobicContact CB-CB 3.8Å; P172-A179 HydrophobicContact CG-CB 3.85Å | ||
| 173 | T | 56.5 | Low | 68.1 | Low | 151 Ų | 151 | 81.4 Ų | 81.4 | 93% | 0.926 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -58.4 | -30.7 | 179.1 | 35.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 174 | E | 60.4 | Low | 68.1 | Low | 137 Ų | 137 | 79.5 Ų | 79.5 | 64% | 0.64 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -90.9 | 102.4 | 165.5 | -58.1 | -148.6 | 160.5 | 0 | 0 | 108 | P172 T176 A179 | P172-E174 CarbonylContact O-C 3.57Å; P172-E174 PolarHBondContact O-N 3.11Å; E174-T176 HydrophobicContact CB-CG2 4.09Å; E174-T176 PolarHBondContact O-N 3.08Å; E174-A179 WeakPolarHBondContact O-CB 3.45Å |
| 175 | K | 62.8 | Low | 68.1 | Low | 107 Ų | 107 | 79.3 Ų | 79.3 | 47% | 0.465 | 42% | 0.417 | S | S | . | . | trans | -68.8 | 54.8 | 170.4 | -66.9 | -170.1 | 176.7 | -168.9 | 0 | 110.3 | L215 S217 | K175-L215 HydrophobicContact CB-CD2 3.62Å; K175-L215 WeakPolarHBondContact O-CD2 3.43Å; K175-S217 PolarHBondContact NZ-OG 3.29Å | ||
| 176 | T | 68.3 | Low | 68.6 | Low | 60 Ų | 60 | 79.2 Ų | 79.2 | 37% | 0.368 | 42% | 0.418 | S | S | . | . | trans | -92.6 | 149.1 | 175.3 | 55.6 | 0 | 0 | 0 | 0 | 109.2 | E174 D178 A179 I180 | E174-T176 HydrophobicContact CB-CG2 4.09Å; E174-T176 PolarHBondContact O-N 3.08Å; T176-D178 PolarHBondContact O-N 2.03Å; T176-A179 PolarHBondContact O-N 3.39Å; T176-A179 VanDerWaalsContact O-N 3.14Å; T176-A179 VanDerWaalsContact OG1-CB 3.27Å; T176-A179 WeakPolarHBondContact OG1-CB 3.26Å; T176-A179 PolarHBondContact OG1-N 3.41Å; T176-I180 PolarHBondContact O-N 3.33Å | ||
| 177 | E | 65.4 | Low | 69.1 | Low | 82 Ų | 82 | 78 Ų | 78 | 38% | 0.383 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -52.8 | -46.2 | 178 | -172.3 | 177.9 | 168.2 | 0 | 0 | 110.4 | A179 I180 V181 K208 V211 | E177-A179 PolarHBondContact O-N 2.93Å; E177-I180 PolarHBondContact O-N 2.81Å; E177-V181 WeakPolarHBondContact O-CB 3.38Å; E177-V181 VanDerWaalsContact O-CG2 3.23Å; E177-V181 WeakPolarHBondContact O-CG2 3Å; E177-V181 PolarHBondContact O-N 3.21Å; E177-K208 WeakPolarHBondContact OE1-CE 3.32Å; E177-K208 WeakPolarHBondContact OE1-CG 3.32Å; E177-V211 HydrophobicContact CB-CG1 4.15Å; E177-V211 HydrophobicContact CG-CG1 3.89Å |
| 178 | D | 68.1 | Low | 69.8 | Low | 133 Ų | 133 | 73.7 Ų | 73.7 | 71% | 0.711 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | 179.3 | -68.1 | -28.5 | 0 | 0 | 0 | 113.9 | T176 K182 | T176-D178 PolarHBondContact O-N 2.03Å; D178-K182 WeakPolarHBondContact O-CB 3.48Å; D178-K182 PolarHBondContact O-N 3.13Å |
| 179 | A | 71.1 | Confident | 70.6 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 20% | 0.198 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -71.7 | -36.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | P172 E174 T176 E177 L183 | P172-A179 HydrophobicContact CB-CB 3.8Å; P172-A179 HydrophobicContact CG-CB 3.85Å; E174-A179 WeakPolarHBondContact O-CB 3.45Å; T176-A179 PolarHBondContact O-N 3.39Å; T176-A179 VanDerWaalsContact O-N 3.14Å; T176-A179 VanDerWaalsContact OG1-CB 3.27Å; T176-A179 WeakPolarHBondContact OG1-CB 3.26Å; T176-A179 PolarHBondContact OG1-N 3.41Å; E177-A179 PolarHBondContact O-N 2.93Å; A179-L183 PolarHBondContact O-N 2.96Å; A179-L183 VanDerWaalsContact O-N 3.11Å |
| 180 | I | 69.4 | Low | 71.3 | Confident | 4 Ų | 4 | 76.1 Ų | 76.1 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -76.2 | -41.5 | 178.2 | -59.8 | 173.9 | 0 | 0 | 0 | 110.3 | T176 E177 K182 L183 M184 V211 L214 L215 | T176-I180 PolarHBondContact O-N 3.33Å; E177-I180 PolarHBondContact O-N 2.81Å; I180-K182 VanDerWaalsContact C-N 3.29Å; I180-K182 PolarHBondContact O-N 2.94Å; I180-L183 PolarHBondContact O-N 3.16Å; I180-M184 HydrophobicContact CG2-SD 4.28Å; I180-M184 VanDerWaalsContact O-CG 3.29Å; I180-M184 WeakPolarHBondContact O-CG 3.03Å; I180-M184 PolarHBondContact O-N 3.1Å; I180-V211 HydrophobicContact CB-CG1 4.34Å; I180-V211 HydrophobicContact CB-CG2 3.99Å; I180-V211 HydrophobicContact CD1-CG1 4.36Å; I180-V211 HydrophobicContact CG2-CB 4.5Å; I180-V211 HydrophobicContact CG2-CG2 3.62Å; I180-L214 HydrophobicContact CG2-CD1 4.16Å; I180-L215 HydrophobicContact CD1-CD2 3.54Å; I180-L215 HydrophobicContact CD1-CG 4.03Å |
| 181 | V | 72.1 | Confident | 71.8 | Confident | 51 Ų | 51 | 73.7 Ų | 73.7 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | E177 M184 G185 V211 | E177-V181 WeakPolarHBondContact O-CB 3.38Å; E177-V181 VanDerWaalsContact O-CG2 3.23Å; E177-V181 WeakPolarHBondContact O-CG2 3Å; E177-V181 PolarHBondContact O-N 3.21Å; V181-M184 PolarHBondContact O-N 3.1Å; V181-G185 PolarHBondContact O-N 3.22Å; V181-V211 HydrophobicContact CG2-CG2 3.86Å |
| 182 | K | 76.9 | Confident | 72.6 | Confident | 142 Ų | 142 | 75.4 Ų | 75.4 | 62% | 0.617 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 175.8 | -175.3 | 179.4 | 176 | -174.3 | 0 | 112.3 | D178 I180 M184 G185 E186 | D178-K182 WeakPolarHBondContact O-CB 3.48Å; D178-K182 PolarHBondContact O-N 3.13Å; I180-K182 VanDerWaalsContact C-N 3.29Å; I180-K182 PolarHBondContact O-N 2.94Å; K182-M184 VanDerWaalsContact C-N 3.34Å; K182-M184 PolarHBondContact O-N 2.94Å; K182-G185 PolarHBondContact O-N 2.92Å; K182-E186 WeakPolarHBondContact O-CG 3.41Å; K182-E186 PolarHBondContact O-N 3.42Å |
| 183 | L | 74.3 | Confident | 73.7 | Confident | 60 Ų | 60 | 77.9 Ų | 77.9 | 31% | 0.314 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 175.7 | -177.2 | 66.4 | 0 | 0 | 0 | 111.6 | A179 I180 G185 E186 V187 | A179-L183 PolarHBondContact O-N 2.96Å; A179-L183 VanDerWaalsContact O-N 3.11Å; I180-L183 PolarHBondContact O-N 3.16Å; L183-G185 VanDerWaalsContact C-N 3.33Å; L183-G185 PolarHBondContact O-N 3.49Å; L183-E186 WeakPolarHBondContact O-CB 3.32Å; L183-E186 PolarHBondContact O-N 3.49Å; L183-V187 PolarHBondContact O-N 3.29Å |
| 184 | M | 74.1 | Confident | 74.9 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 16% | 0.163 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 175.2 | -63.9 | 173.4 | 69.3 | 0 | 0 | 110.8 | I180 V181 K182 E186 V187 C188 I203 I210 V211 | I180-M184 HydrophobicContact CG2-SD 4.28Å; I180-M184 VanDerWaalsContact O-CG 3.29Å; I180-M184 WeakPolarHBondContact O-CG 3.03Å; I180-M184 PolarHBondContact O-N 3.1Å; V181-M184 PolarHBondContact O-N 3.1Å; K182-M184 VanDerWaalsContact C-N 3.34Å; K182-M184 PolarHBondContact O-N 2.94Å; M184-E186 VanDerWaalsContact C-N 3.3Å; M184-E186 PolarHBondContact O-N 3.42Å; M184-V187 WeakPolarHBondContact O-CA 3.45Å; M184-V187 VanDerWaalsContact O-CB 3.27Å; M184-V187 WeakPolarHBondContact O-CB 3.42Å; M184-V187 PolarHBondContact O-N 3.19Å; M184-C188 PolarHBondContact O-N 2.93Å; M184-I203 HydrophobicContact CB-CD1 3.61Å; M184-I203 HydrophobicContact CB-CG1 4.21Å; M184-I203 HydrophobicContact CB-CG2 4.14Å; M184-I203 HydrophobicContact CE-CG1 4.26Å; M184-I203 HydrophobicContact CE-CG2 4.45Å; M184-I203 WeakPolarHBondContact O-CD1 3.31Å; M184-I210 HydrophobicContact CE-CB 4.1Å; M184-I210 HydrophobicContact CE-CD1 3.85Å; M184-I210 HydrophobicContact CE-CG2 3.74Å; M184-I210 HydrophobicContact SD-CG2 4.12Å; M184-V211 HydrophobicContact SD-CG2 4.05Å |
| 185 | G | 78.1 | Confident | 75.3 | Confident | 29 Ų | 29 | 74.5 Ų | 74.5 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.7 | -34.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V181 K182 L183 V187 C188 G189 | V181-G185 PolarHBondContact O-N 3.22Å; K182-G185 PolarHBondContact O-N 2.92Å; L183-G185 VanDerWaalsContact C-N 3.33Å; L183-G185 PolarHBondContact O-N 3.49Å; G185-V187 VanDerWaalsContact C-N 3.27Å; G185-V187 PolarHBondContact O-N 3.06Å; G185-C188 PolarHBondContact O-N 3.41Å; G185-G189 PolarHBondContact O-N 3.5Å |
| 186 | E | 81.3 | Confident | 76.2 | Confident | 108 Ų | 108 | 73.6 Ų | 73.6 | 51% | 0.505 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.2 | -34.2 | 172.2 | -71.6 | 174.8 | -169.5 | 0 | 0 | 111.7 | K182 L183 M184 C188 G189 L190 | K182-E186 WeakPolarHBondContact O-CG 3.41Å; K182-E186 PolarHBondContact O-N 3.42Å; L183-E186 WeakPolarHBondContact O-CB 3.32Å; L183-E186 PolarHBondContact O-N 3.49Å; M184-E186 VanDerWaalsContact C-N 3.3Å; M184-E186 PolarHBondContact O-N 3.42Å; E186-C188 PolarHBondContact O-N 2.99Å; E186-G189 WeakPolarHBondContact O-CA 3.39Å; E186-G189 PolarHBondContact O-N 2.82Å; E186-L190 PolarHBondContact O-N 2.79Å |
| 187 | V | 83.1 | Confident | 77 | Confident | 77 Ų | 77 | 76.2 Ų | 76.2 | 47% | 0.467 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 173 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | L183 M184 G185 G189 L190 | L183-V187 PolarHBondContact O-N 3.29Å; M184-V187 WeakPolarHBondContact O-CA 3.45Å; M184-V187 VanDerWaalsContact O-CB 3.27Å; M184-V187 WeakPolarHBondContact O-CB 3.42Å; M184-V187 PolarHBondContact O-N 3.19Å; G185-V187 VanDerWaalsContact C-N 3.27Å; G185-V187 PolarHBondContact O-N 3.06Å; V187-G189 PolarHBondContact O-N 3.31Å; V187-L190 WeakPolarHBondContact O-CB 3.33Å; V187-L190 PolarHBondContact O-N 3.37Å |
| 188 | C | 82.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.3 | -24.9 | 172.9 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | M184 G185 E186 L190 L191 C199 D200 I203 | M184-C188 PolarHBondContact O-N 2.93Å; G185-C188 PolarHBondContact O-N 3.41Å; E186-C188 PolarHBondContact O-N 2.99Å; C188-L190 VanDerWaalsContact C-N 3.28Å; C188-L190 PolarHBondContact O-N 3.21Å; C188-L191 PolarHBondContact O-N 3.24Å; C188-C199 WeakPolarHBondContact CA-SG 3.27Å; C188-C199 HydrophobicContact CB-CB 3.75Å; C188-C199 WeakPolarHBondContact CB-SG 3.5Å; C188-C199 WeakPolarHBondContact SG-CB 3.43Å; C188-C199 CovalentContact SG-SG 2.03Å; C188-C199 PolarHBondContact SG-SG 3.1Å; C188-D200 WeakPolarHBondContact CB-OD1 3.42Å; C188-I203 WeakPolarHBondContact SG-CD1 3.35Å |
| 189 | G | 83.8 | Confident | 78.3 | Confident | 47 Ų | 47 | 73.2 Ų | 73.2 | 49% | 0.485 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.3 | -21.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G185 E186 V187 | G185-G189 PolarHBondContact O-N 3.5Å; E186-G189 WeakPolarHBondContact O-CA 3.39Å; E186-G189 PolarHBondContact O-N 2.82Å; V187-G189 PolarHBondContact O-N 3.31Å |
| 190 | L | 81.4 | Confident | 78.9 | Confident | 149 Ų | 149 | 74.3 Ų | 74.3 | 78% | 0.78 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -89.8 | -11.2 | 178 | -60.3 | 174.3 | 0 | 0 | 0 | 113 | E186 V187 C188 | E186-L190 PolarHBondContact O-N 2.79Å; V187-L190 WeakPolarHBondContact O-CB 3.33Å; V187-L190 PolarHBondContact O-N 3.37Å; C188-L190 VanDerWaalsContact C-N 3.28Å; C188-L190 PolarHBondContact O-N 3.21Å |
| 191 | L | 72.1 | Confident | 79.6 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -82.2 | 152.1 | 179.5 | -67.6 | 176.4 | 0 | 0 | 0 | 112 | C188 C199 | C188-L191 PolarHBondContact O-N 3.24Å; L191-C199 HydrophobicContact CD1-CB 3.55Å; L191-C199 WeakPolarHBondContact CD1-SG 3.39Å |
| 192 | P | 81.3 | Confident | 80 | Confident | 80 Ų | 80 | 82.2 Ų | 82.2 | 52% | 0.519 | 45% | 0.45 | S | S | . | . | trans | -55.3 | 147.3 | 170.8 | -22.7 | 32.6 | 0 | 0 | 0 | 111.5 | S194 Y195 K196 | P192-S194 PolarHBondContact O-N 2.95Å; P192-Y195 HydrophobicContact CB-CD2 4.39Å; P192-Y195 HydrophobicContact CG-CD2 4.5Å; P192-Y195 PolarHBondContact O-N 2.84Å; P192-K196 PolarHBondContact O-N 3.31Å | ||
| 193 | A | 85.1 | Confident | 80.3 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 74% | 0.736 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -52.4 | -30.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y195 K196 | A193-Y195 PolarHBondContact O-N 3.05Å; A193-K196 PolarHBondContact O-N 2.81Å |
| 194 | S | 81.9 | Confident | 80.7 | Confident | 85 Ų | 85 | 79.6 Ų | 79.6 | 59% | 0.594 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.8 | -20 | 177.5 | 56.5 | 0 | 0 | 0 | 0 | 115 | P192 | P192-S194 PolarHBondContact O-N 2.95Å |
| 195 | Y | 67.1 | Low | 80.9 | Confident | 132 Ų | 132 | 84.9 Ų | 84.9 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -114 | -5.3 | -176.7 | -65.6 | -75.2 | 0 | 0 | 0 | 113.2 | P192 A193 D197 Q198 C199 | P192-Y195 HydrophobicContact CB-CD2 4.39Å; P192-Y195 HydrophobicContact CG-CD2 4.5Å; P192-Y195 PolarHBondContact O-N 2.84Å; A193-Y195 PolarHBondContact O-N 3.05Å; Y195-D197 PolarHBondContact O-N 3.29Å; Y195-Q198 PolarHBondContact O-N 3.12Å; Y195-C199 VanDerWaalsContact O-CB 3.23Å; Y195-C199 WeakPolarHBondContact O-CB 3.43Å; Y195-C199 PolarHBondContact O-N 3.15Å |
| 196 | K | 83.8 | Confident | 80.9 | Confident | 88 Ų | 88 | 87.6 Ų | 87.6 | 38% | 0.383 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58 | -52.7 | -176.7 | -170.1 | -172.6 | 175.4 | 69 | 0 | 111.4 | P192 A193 Q198 C199 D200 | P192-K196 PolarHBondContact O-N 3.31Å; A193-K196 PolarHBondContact O-N 2.81Å; K196-Q198 PolarHBondContact O-N 3.42Å; K196-C199 WeakPolarHBondContact O-CB 3.35Å; K196-C199 PolarHBondContact O-N 2.83Å; K196-C199 VanDerWaalsContact O-N 3.17Å; K196-D200 PolarHBondContact O-N 3.41Å |
| 197 | D | 84.2 | Confident | 80.5 | Confident | 116 Ų | 116 | 82.5 Ų | 82.5 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.3 | -39.4 | -177.9 | -58.6 | -27.3 | 0 | 0 | 0 | 112.1 | Y195 C199 D200 D201 | Y195-D197 PolarHBondContact O-N 3.29Å; D197-C199 VanDerWaalsContact C-N 3.31Å; D197-C199 PolarHBondContact O-N 3.09Å; D197-D200 PolarHBondContact O-N 2.92Å; D197-D201 WeakPolarHBondContact O-CB 3.34Å; D197-D201 PolarHBondContact O-N 3.46Å |
| 198 | Q | 79.4 | Confident | 80 | Confident | 130 Ų | 130 | 84.7 Ų | 84.7 | 61% | 0.607 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.6 | -34.6 | 176.3 | -67.9 | 179.4 | 33 | 0 | 0 | 112.2 | Y195 K196 F202 | Y195-Q198 PolarHBondContact O-N 3.12Å; K196-Q198 PolarHBondContact O-N 3.42Å; Q198-F202 VanDerWaalsContact O-CB 3.27Å; Q198-F202 WeakPolarHBondContact O-CB 3.5Å; Q198-F202 PolarHBondContact O-N 3.26Å |
| 199 | C | 80.5 | Confident | 79.2 | Confident | 21 Ų | 21 | 90.9 Ų | 90.9 | 14% | 0.142 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -70.4 | -45.9 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | C188 L191 Y195 K196 D197 D201 F202 I203 | C188-C199 WeakPolarHBondContact CA-SG 3.27Å; C188-C199 HydrophobicContact CB-CB 3.75Å; C188-C199 WeakPolarHBondContact CB-SG 3.5Å; C188-C199 WeakPolarHBondContact SG-CB 3.43Å; C188-C199 CovalentContact SG-SG 2.03Å; C188-C199 PolarHBondContact SG-SG 3.1Å; L191-C199 HydrophobicContact CD1-CB 3.55Å; L191-C199 WeakPolarHBondContact CD1-SG 3.39Å; Y195-C199 VanDerWaalsContact O-CB 3.23Å; Y195-C199 WeakPolarHBondContact O-CB 3.43Å; Y195-C199 PolarHBondContact O-N 3.15Å; K196-C199 WeakPolarHBondContact O-CB 3.35Å; K196-C199 PolarHBondContact O-N 2.83Å; K196-C199 VanDerWaalsContact O-N 3.17Å; D197-C199 VanDerWaalsContact C-N 3.31Å; D197-C199 PolarHBondContact O-N 3.09Å; C199-D201 VanDerWaalsContact C-N 3.32Å; C199-D201 PolarHBondContact O-N 3.08Å; C199-F202 WeakPolarHBondContact O-CB 3.23Å; C199-F202 PolarHBondContact O-N 2.99Å; C199-F202 VanDerWaalsContact O-N 3.12Å; C199-I203 WeakPolarHBondContact O-CG1 3.43Å; C199-I203 PolarHBondContact O-N 3.12Å |
| 200 | D | 84.5 | Confident | 78.4 | Confident | 47 Ų | 47 | 91.1 Ų | 91.1 | 25% | 0.251 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 177 | -70.4 | -25 | 0 | 0 | 0 | 110.3 | C188 K196 D197 F202 I203 N204 | C188-D200 WeakPolarHBondContact CB-OD1 3.42Å; K196-D200 PolarHBondContact O-N 3.41Å; D197-D200 PolarHBondContact O-N 2.92Å; D200-F202 PolarHBondContact O-N 3.35Å; D200-I203 PolarHBondContact O-N 2.98Å; D200-N204 WeakPolarHBondContact O-CB 3.45Å; D200-N204 PolarHBondContact O-N 3.33Å; D200-N204 PolarHBondContact O-ND2 3.25Å |
| 201 | D | 83.9 | Confident | 77.8 | Confident | 110 Ų | 110 | 84 Ų | 84 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | 173.8 | -78.5 | -15.8 | 0 | 0 | 0 | 112.6 | D197 C199 N204 K205 | D197-D201 WeakPolarHBondContact O-CB 3.34Å; D197-D201 PolarHBondContact O-N 3.46Å; C199-D201 VanDerWaalsContact C-N 3.32Å; C199-D201 PolarHBondContact O-N 3.08Å; D201-N204 PolarHBondContact O-N 3.3Å; D201-K205 WeakPolarHBondContact O-CB 2.95Å; D201-K205 PolarHBondContact O-N 2.97Å |
| 202 | F | 80.9 | Confident | 77.5 | Confident | 111 Ų | 111 | 84.6 Ų | 84.6 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.4 | -176.5 | -87.8 | 0 | 0 | 0 | 111.6 | Q198 C199 D200 K205 Y206 I210 | Q198-F202 VanDerWaalsContact O-CB 3.27Å; Q198-F202 WeakPolarHBondContact O-CB 3.5Å; Q198-F202 PolarHBondContact O-N 3.26Å; C199-F202 WeakPolarHBondContact O-CB 3.23Å; C199-F202 PolarHBondContact O-N 2.99Å; C199-F202 VanDerWaalsContact O-N 3.12Å; D200-F202 PolarHBondContact O-N 3.35Å; F202-K205 PolarHBondContact O-N 3.35Å; F202-Y206 HydrophobicContact CD1-CD2 4.36Å; F202-Y206 AromaticContact CD2-CD2 3.58Å; F202-Y206 HydrophobicContact CD2-CD2 3.58Å; F202-Y206 AromaticContact CD2-CE2 3.77Å; F202-Y206 HydrophobicContact CD2-CE2 3.77Å; F202-Y206 HydrophobicContact CE1-CD2 4.32Å; F202-Y206 AromaticContact CE2-CD2 3.53Å; F202-Y206 HydrophobicContact CE2-CD2 3.53Å; F202-Y206 AromaticContact CE2-CE2 3.76Å; F202-Y206 HydrophobicContact CE2-CE2 3.76Å; F202-Y206 HydrophobicContact CG-CD2 4.01Å; F202-Y206 AromaticContact CZ-CD2 3.92Å; F202-Y206 HydrophobicContact CZ-CD2 3.92Å; F202-Y206 WeakPolarHBondContact O-CD2 3.32Å; F202-Y206 PolarHBondContact O-N 3.41Å; F202-I210 HydrophobicContact CE1-CD1 3.97Å |
| 203 | I | 83.9 | Confident | 76.5 | Confident | 17 Ų | 17 | 88 Ų | 88 | 9% | 0.087 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 175.7 | -64.2 | 177.8 | 0 | 0 | 0 | 110.7 | M184 C188 C199 D200 K205 G207 | M184-I203 HydrophobicContact CB-CD1 3.61Å; M184-I203 HydrophobicContact CB-CG1 4.21Å; M184-I203 HydrophobicContact CB-CG2 4.14Å; M184-I203 HydrophobicContact CE-CG1 4.26Å; M184-I203 HydrophobicContact CE-CG2 4.45Å; M184-I203 WeakPolarHBondContact O-CD1 3.31Å; C188-I203 WeakPolarHBondContact SG-CD1 3.35Å; C199-I203 WeakPolarHBondContact O-CG1 3.43Å; C199-I203 PolarHBondContact O-N 3.12Å; D200-I203 PolarHBondContact O-N 2.98Å; I203-K205 PolarHBondContact O-N 3.08Å; I203-G207 WeakPolarHBondContact O-CA 3.22Å; I203-G207 PolarHBondContact O-N 2.95Å |
| 204 | N | 81 | Confident | 75.5 | Confident | 130 Ų | 130 | 86.9 Ų | 86.9 | 70% | 0.695 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.9 | -33.5 | 177.6 | -72.7 | -33.1 | 0 | 0 | 0 | 111.8 | D200 D201 | D200-N204 WeakPolarHBondContact O-CB 3.45Å; D200-N204 PolarHBondContact O-N 3.33Å; D200-N204 PolarHBondContact O-ND2 3.25Å; D201-N204 PolarHBondContact O-N 3.3Å |
| 205 | K | 80.1 | Confident | 74.6 | Confident | 145 Ų | 145 | 85.7 Ų | 85.7 | 63% | 0.63 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -81.6 | -42.9 | -178.3 | -172.9 | 171.2 | -179.9 | -178.1 | 0 | 113.7 | D201 F202 I203 | D201-K205 WeakPolarHBondContact O-CB 2.95Å; D201-K205 PolarHBondContact O-N 2.97Å; F202-K205 PolarHBondContact O-N 3.35Å; I203-K205 PolarHBondContact O-N 3.08Å |
| 206 | Y | 76.8 | Confident | 74.5 | Confident | 85 Ų | 85 | 83.5 Ų | 83.5 | 33% | 0.333 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -117.1 | -9.3 | -171.6 | -56.5 | -67.7 | 0 | 0 | 0 | 113.5 | F202 K208 E209 I210 | F202-Y206 HydrophobicContact CD1-CD2 4.36Å; F202-Y206 AromaticContact CD2-CD2 3.58Å; F202-Y206 HydrophobicContact CD2-CD2 3.58Å; F202-Y206 AromaticContact CD2-CE2 3.77Å; F202-Y206 HydrophobicContact CD2-CE2 3.77Å; F202-Y206 HydrophobicContact CE1-CD2 4.32Å; F202-Y206 AromaticContact CE2-CD2 3.53Å; F202-Y206 HydrophobicContact CE2-CD2 3.53Å; F202-Y206 AromaticContact CE2-CE2 3.76Å; F202-Y206 HydrophobicContact CE2-CE2 3.76Å; F202-Y206 HydrophobicContact CG-CD2 4.01Å; F202-Y206 AromaticContact CZ-CD2 3.92Å; F202-Y206 HydrophobicContact CZ-CD2 3.92Å; F202-Y206 WeakPolarHBondContact O-CD2 3.32Å; F202-Y206 PolarHBondContact O-N 3.41Å; Y206-K208 VanDerWaalsContact C-N 3.3Å; Y206-K208 PolarHBondContact O-N 3.26Å; Y206-E209 PolarHBondContact O-N 2.94Å; Y206-E209 VanDerWaalsContact O-N 3.11Å; Y206-I210 WeakPolarHBondContact O-CB 3.16Å; Y206-I210 VanDerWaalsContact O-CG1 3.25Å; Y206-I210 WeakPolarHBondContact O-CG1 3.29Å; Y206-I210 PolarHBondContact O-N 2.82Å |
| 207 | G | 72.2 | Confident | 73.1 | Confident | 1 Ų | 1 | 81.4 Ų | 81.4 | 1% | 0.01 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57.2 | -42.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I203 E209 I210 V211 | I203-G207 WeakPolarHBondContact O-CA 3.22Å; I203-G207 PolarHBondContact O-N 2.95Å; G207-E209 PolarHBondContact O-N 2.87Å; G207-I210 PolarHBondContact O-N 3.13Å; G207-V211 WeakPolarHBondContact O-CB 3.11Å; G207-V211 WeakPolarHBondContact O-CG2 3.21Å; G207-V211 PolarHBondContact O-N 2.93Å |
| 208 | K | 72.8 | Confident | 71.8 | Confident | 124 Ų | 124 | 78.3 Ų | 78.3 | 54% | 0.539 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 176.6 | -173.2 | 175.4 | -175.2 | -155.5 | 0 | 113.1 | E177 Y206 V211 D212 | E177-K208 WeakPolarHBondContact OE1-CE 3.32Å; E177-K208 WeakPolarHBondContact OE1-CG 3.32Å; Y206-K208 VanDerWaalsContact C-N 3.3Å; Y206-K208 PolarHBondContact O-N 3.26Å; K208-V211 PolarHBondContact O-N 3.2Å; K208-D212 WeakPolarHBondContact O-CB 3.31Å; K208-D212 PolarHBondContact O-N 3.07Å |
| 209 | E | 67.1 | Low | 71 | Confident | 129 Ų | 129 | 74.6 Ų | 74.6 | 60% | 0.603 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68 | -39.1 | 178.6 | -64.4 | 169.4 | 163.8 | 0 | 0 | 111.4 | Y206 G207 V211 F213 | Y206-E209 PolarHBondContact O-N 2.94Å; Y206-E209 VanDerWaalsContact O-N 3.11Å; G207-E209 PolarHBondContact O-N 2.87Å; E209-V211 VanDerWaalsContact C-N 3.33Å; E209-F213 VanDerWaalsContact O-CB 3.31Å; E209-F213 WeakPolarHBondContact O-CB 3.49Å; E209-F213 PolarHBondContact O-N 3.35Å |
| 210 | I | 65.8 | Low | 70.3 | Confident | 53 Ų | 53 | 74 Ų | 74 | 27% | 0.272 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.1 | -67.9 | 165.2 | 0 | 0 | 0 | 110 | M184 F202 Y206 G207 F213 L214 | M184-I210 HydrophobicContact CE-CB 4.1Å; M184-I210 HydrophobicContact CE-CD1 3.85Å; M184-I210 HydrophobicContact CE-CG2 3.74Å; M184-I210 HydrophobicContact SD-CG2 4.12Å; F202-I210 HydrophobicContact CE1-CD1 3.97Å; Y206-I210 WeakPolarHBondContact O-CB 3.16Å; Y206-I210 VanDerWaalsContact O-CG1 3.25Å; Y206-I210 WeakPolarHBondContact O-CG1 3.29Å; Y206-I210 PolarHBondContact O-N 2.82Å; G207-I210 PolarHBondContact O-N 3.13Å; I210-F213 PolarHBondContact O-N 3.2Å; I210-L214 HydrophobicContact CG2-CD1 3.78Å; I210-L214 HydrophobicContact CG2-CG 4.31Å; I210-L214 WeakPolarHBondContact O-CB 3.2Å; I210-L214 WeakPolarHBondContact O-CG 3.04Å; I210-L214 PolarHBondContact O-N 2.04Å |
| 211 | V | 69.9 | Low | 69.1 | Low | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.8 | -47.5 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | E177 I180 V181 M184 G207 K208 E209 F213 L214 L215 | E177-V211 HydrophobicContact CB-CG1 4.15Å; E177-V211 HydrophobicContact CG-CG1 3.89Å; I180-V211 HydrophobicContact CB-CG1 4.34Å; I180-V211 HydrophobicContact CB-CG2 3.99Å; I180-V211 HydrophobicContact CD1-CG1 4.36Å; I180-V211 HydrophobicContact CG2-CB 4.5Å; I180-V211 HydrophobicContact CG2-CG2 3.62Å; V181-V211 HydrophobicContact CG2-CG2 3.86Å; M184-V211 HydrophobicContact SD-CG2 4.05Å; G207-V211 WeakPolarHBondContact O-CB 3.11Å; G207-V211 WeakPolarHBondContact O-CG2 3.21Å; G207-V211 PolarHBondContact O-N 2.93Å; K208-V211 PolarHBondContact O-N 3.2Å; E209-V211 VanDerWaalsContact C-N 3.33Å; V211-F213 VanDerWaalsContact C-N 3.25Å; V211-F213 PolarHBondContact O-N 3.39Å; V211-L214 CarbonylContact O-C 3.59Å; V211-L214 PolarHBondContact O-N 3.14Å; V211-L214 VanDerWaalsContact O-N 3.1Å; V211-L215 HydrophobicContact CG1-CD1 3.63Å; V211-L215 HydrophobicContact CG1-CG 4.01Å; V211-L215 VanDerWaalsContact O-CB 3.3Å; V211-L215 WeakPolarHBondContact O-CB 3.29Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 3.3Å |
| 212 | D | 64.9 | Low | 68.2 | Low | 83 Ų | 83 | 73.4 Ų | 73.4 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.1 | -40.2 | 175.7 | -75.9 | -21.5 | 0 | 0 | 0 | 111.2 | K208 S216 | K208-D212 WeakPolarHBondContact O-CB 3.31Å; K208-D212 PolarHBondContact O-N 3.07Å; D212-S216 WeakPolarHBondContact O-CB 3.19Å; D212-S216 PolarHBondContact O-N 3.4Å |
| 213 | F | 61.8 | Low | 67.7 | Low | 151 Ų | 151 | 70.6 Ų | 70.6 | 66% | 0.662 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | 173.3 | -177.5 | -97.6 | 0 | 0 | 0 | 112.4 | E209 I210 V211 L215 S216 | E209-F213 VanDerWaalsContact O-CB 3.31Å; E209-F213 WeakPolarHBondContact O-CB 3.49Å; E209-F213 PolarHBondContact O-N 3.35Å; I210-F213 PolarHBondContact O-N 3.2Å; V211-F213 VanDerWaalsContact C-N 3.25Å; V211-F213 PolarHBondContact O-N 3.39Å; F213-L215 VanDerWaalsContact C-N 3.34Å; F213-L215 PolarHBondContact O-N 3.22Å; F213-S216 PolarHBondContact O-N 3.01Å; F213-S216 PolarHBondContact O-OG 2.73Å |
| 214 | L | 63.2 | Low | 66.7 | Low | 66 Ų | 66 | 69.8 Ų | 69.8 | 35% | 0.346 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.4 | -30.6 | 177.5 | -71.4 | 172.1 | 0 | 0 | 0 | 112.8 | I180 I210 V211 S216 S217 | I180-L214 HydrophobicContact CG2-CD1 4.16Å; I210-L214 HydrophobicContact CG2-CD1 3.78Å; I210-L214 HydrophobicContact CG2-CG 4.31Å; I210-L214 WeakPolarHBondContact O-CB 3.2Å; I210-L214 WeakPolarHBondContact O-CG 3.04Å; I210-L214 PolarHBondContact O-N 2.04Å; V211-L214 CarbonylContact O-C 3.59Å; V211-L214 PolarHBondContact O-N 3.14Å; V211-L214 VanDerWaalsContact O-N 3.1Å; L214-S216 VanDerWaalsContact C-N 3.34Å; L214-S217 WeakPolarHBondContact O-CB 3.48Å; L214-S217 PolarHBondContact O-N 3.43Å; L214-S217 PolarHBondContact O-OG 2.97Å |
| 215 | L | 63.1 | Low | 66.3 | Low | 60 Ų | 60 | 65 Ų | 65 | 31% | 0.314 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.6 | -25.9 | 174.7 | -70 | 178.3 | 0 | 0 | 0 | 111.8 | K175 I180 V211 F213 S217 | K175-L215 HydrophobicContact CB-CD2 3.62Å; K175-L215 WeakPolarHBondContact O-CD2 3.43Å; I180-L215 HydrophobicContact CD1-CD2 3.54Å; I180-L215 HydrophobicContact CD1-CG 4.03Å; V211-L215 HydrophobicContact CG1-CD1 3.63Å; V211-L215 HydrophobicContact CG1-CG 4.01Å; V211-L215 VanDerWaalsContact O-CB 3.3Å; V211-L215 WeakPolarHBondContact O-CB 3.29Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 3.3Å; F213-L215 VanDerWaalsContact C-N 3.34Å; F213-L215 PolarHBondContact O-N 3.22Å; L215-S217 PolarHBondContact O-N 3.11Å |
| 216 | S | 64 | Low | 65.7 | Low | 86 Ų | 86 | 64.7 Ų | 64.7 | 60% | 0.601 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 2.4 | 170.6 | 80.5 | 0 | 0 | 0 | 0 | 114.2 | D212 F213 L214 A218 | D212-S216 WeakPolarHBondContact O-CB 3.19Å; D212-S216 PolarHBondContact O-N 3.4Å; F213-S216 PolarHBondContact O-N 3.01Å; F213-S216 PolarHBondContact O-OG 2.73Å; L214-S216 VanDerWaalsContact C-N 3.34Å; S216-A218 PolarHBondContact O-N 3.24Å |
| 217 | S | 55.3 | Low | 65.2 | Low | 45 Ų | 45 | 65.4 Ų | 65.4 | 32% | 0.315 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -46.3 | 126.3 | -168 | 60.5 | 0 | 0 | 0 | 0 | 114.8 | K175 L214 L215 | K175-S217 PolarHBondContact NZ-OG 3.29Å; L214-S217 WeakPolarHBondContact O-CB 3.48Å; L214-S217 PolarHBondContact O-N 3.43Å; L214-S217 PolarHBondContact O-OG 2.97Å; L215-S217 PolarHBondContact O-N 3.11Å |
| 218 | A | 56.2 | Low | 64.9 | Low | 51 Ų | 51 | 73.1 Ų | 73.1 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 150.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S216 I223 | S216-A218 PolarHBondContact O-N 3.24Å; A218-I223 HydrophobicContact CB-CG1 4.38Å; A218-I223 WeakPolarHBondContact O-CD1 3.18Å |
| 219 | A | 62.9 | Low | 64.7 | Low | 51 Ų | 51 | 70.4 Ų | 70.4 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -58 | 156.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H221 S222 I223 | A219-H221 PolarHBondContact O-N 3.34Å; A219-S222 WeakPolarHBondContact O-CA 3.19Å; A219-S222 VanDerWaalsContact O-CB 3.28Å; A219-S222 WeakPolarHBondContact O-CB 3.4Å; A219-S222 PolarHBondContact O-N 3.48Å; A219-I223 PolarHBondContact O-N 2.76Å |
| 220 | P | 65.3 | Low | 64.7 | Low | 10 Ų | 10 | 64.6 Ų | 64.6 | 7% | 0.065 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -50.3 | -39.2 | -178.9 | -34.7 | 42.2 | 0 | 0 | 0 | 113.8 | M164 K165 E168 C224 | M164-P220 HydrophobicContact CB-CB 3.56Å; M164-P220 HydrophobicContact CB-CG 4.24Å; K165-P220 HydrophobicContact CG-CB 3.97Å; K165-P220 HydrophobicContact CG-CG 3.79Å; E168-P220 HydrophobicContact CG-CG 4.39Å; E168-P220 WeakPolarHBondContact OE1-CD 3.36Å; E168-P220 VanDerWaalsContact OE1-CG 3.3Å; E168-P220 WeakPolarHBondContact OE1-CG 3.29Å; E168-P220 WeakPolarHBondContact OE2-CD 3.32Å; E168-P220 WeakPolarHBondContact OE2-CG 3.33Å; P220-C224 PolarHBondContact O-N 3.42Å; P220-C224 VanDerWaalsContact O-N 3.1Å; P220-C224 PolarHBondContact O-SG 3.38Å |
| 221 | H | 60.6 | Low | 64.5 | Low | 82 Ų | 82 | 67.9 Ų | 67.9 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.8 | -37.3 | 177.8 | -68.2 | 85 | 0 | 0 | 0 | 112.4 | V161 A219 C224 A225 | V161-H221 VanDerWaalsContact CG1-CE1 3.43Å; V161-H221 WeakPolarHBondContact CG1-CE1 2.98Å; V161-H221 WeakPolarHBondContact CG1-NE2 3.25Å; V161-H221 VanDerWaalsContact CG2-CD2 3.5Å; V161-H221 WeakPolarHBondContact CG2-CD2 3.06Å; A219-H221 PolarHBondContact O-N 3.34Å; H221-C224 PolarHBondContact O-N 2.65Å; H221-A225 VanDerWaalsContact O-CB 3.28Å; H221-A225 WeakPolarHBondContact O-CB 3.26Å; H221-A225 PolarHBondContact O-N 3.26Å |
| 222 | S | 64.1 | Low | 63.7 | Low | 62 Ų | 62 | 72.2 Ų | 72.2 | 43% | 0.434 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 177 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | A219 A225 L226 | A219-S222 WeakPolarHBondContact O-CA 3.19Å; A219-S222 VanDerWaalsContact O-CB 3.28Å; A219-S222 WeakPolarHBondContact O-CB 3.4Å; A219-S222 PolarHBondContact O-N 3.48Å; S222-A225 PolarHBondContact O-N 3.1Å; S222-L226 WeakPolarHBondContact O-CB 3.34Å; S222-L226 PolarHBondContact O-N 3.43Å |
| 223 | I | 71.2 | Confident | 62.6 | Low | 52 Ų | 52 | 77.7 Ų | 77.7 | 27% | 0.267 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 173.8 | -60.9 | 171.6 | 0 | 0 | 0 | 110.1 | M164 A218 A219 A225 L226 L227 | M164-I223 HydrophobicContact CG-CB 4.27Å; M164-I223 HydrophobicContact CG-CG2 4.16Å; M164-I223 HydrophobicContact SD-CB 4.32Å; M164-I223 HydrophobicContact SD-CD1 4.05Å; M164-I223 HydrophobicContact SD-CG2 3.75Å; A218-I223 HydrophobicContact CB-CG1 4.38Å; A218-I223 WeakPolarHBondContact O-CD1 3.18Å; A219-I223 PolarHBondContact O-N 2.76Å; I223-A225 VanDerWaalsContact C-N 3.31Å; I223-A225 PolarHBondContact O-N 2.81Å; I223-L226 PolarHBondContact O-N 3.45Å; I223-L227 HydrophobicContact CG2-CD1 4.1Å; I223-L227 VanDerWaalsContact O-CG 3.29Å; I223-L227 WeakPolarHBondContact O-CG 3.28Å; I223-L227 PolarHBondContact O-N 2.91Å |
| 224 | C | 63.4 | Low | 61.3 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.7 | -27.3 | 179.6 | -61.9 | 0 | 0 | 0 | 0 | 113.9 | C160 V161 P220 H221 L229 C230 | C160-C224 HydrophobicContact CB-CB 3.76Å; C160-C224 WeakPolarHBondContact CB-SG 3.09Å; C160-C224 PolarHBondContact O-SG 2.03Å; C160-C224 VanDerWaalsContact O-SG 3.41Å; C160-C224 WeakPolarHBondContact SG-CA 3.39Å; C160-C224 WeakPolarHBondContact SG-CB 3.45Å; C160-C224 CovalentContact SG-SG 2.03Å; C160-C224 PolarHBondContact SG-SG 3.3Å; V161-C224 HydrophobicContact CG2-CB 4.18Å; V161-C224 PolarHBondContact N-SG 2.97Å; P220-C224 PolarHBondContact O-N 3.42Å; P220-C224 VanDerWaalsContact O-N 3.1Å; P220-C224 PolarHBondContact O-SG 3.38Å; H221-C224 PolarHBondContact O-N 2.65Å; C224-L229 PolarHBondContact O-N 3.38Å; C224-C230 VanDerWaalsContact CB-SG 3.52Å; C224-C230 PolarHBondContact O-N 2.77Å; C224-C230 VanDerWaalsContact O-N 3.12Å |
| 225 | A | 71.9 | Confident | 59.7 | Low | 29 Ų | 29 | 80.7 Ų | 80.7 | 24% | 0.24 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -70.9 | -44.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H221 S222 I223 L227 H228 F232 | H221-A225 VanDerWaalsContact O-CB 3.28Å; H221-A225 WeakPolarHBondContact O-CB 3.26Å; H221-A225 PolarHBondContact O-N 3.26Å; S222-A225 PolarHBondContact O-N 3.1Å; I223-A225 VanDerWaalsContact C-N 3.31Å; I223-A225 PolarHBondContact O-N 2.81Å; A225-L227 VanDerWaalsContact C-N 3.26Å; A225-L227 PolarHBondContact O-N 3.34Å; A225-H228 VanDerWaalsContact O-CA 3.28Å; A225-H228 WeakPolarHBondContact O-CA 2.99Å; A225-H228 PolarHBondContact O-N 2.92Å; A225-F232 HydrophobicContact CB-CD2 4.01Å; A225-F232 HydrophobicContact CB-CE2 3.8Å |
| 226 | L | 66.6 | Low | 58.9 | Low | 139 Ų | 139 | 82.4 Ų | 82.4 | 73% | 0.728 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.6 | -34.8 | 176.8 | -174.9 | 69.1 | 0 | 0 | 0 | 112 | S222 I223 H228 | S222-L226 WeakPolarHBondContact O-CB 3.34Å; S222-L226 PolarHBondContact O-N 3.43Å; I223-L226 PolarHBondContact O-N 3.45Å; L226-H228 PolarHBondContact O-N 3.12Å |
| 227 | L | 66.8 | Low | 57.2 | Low | 100 Ų | 100 | 83.2 Ų | 83.2 | 52% | 0.524 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 3 | 172.3 | -64.9 | 173.7 | 0 | 0 | 0 | 113 | I223 A225 L229 | I223-L227 HydrophobicContact CG2-CD1 4.1Å; I223-L227 VanDerWaalsContact O-CG 3.29Å; I223-L227 WeakPolarHBondContact O-CG 3.28Å; I223-L227 PolarHBondContact O-N 2.91Å; A225-L227 VanDerWaalsContact C-N 3.26Å; A225-L227 PolarHBondContact O-N 3.34Å; L227-L229 HydrophobicContact CB-CD1 4Å; L227-L229 HydrophobicContact CB-CG 3.93Å; L227-L229 HydrophobicContact CD1-CD1 4.28Å; L227-L229 PolarHBondContact O-N 2.86Å; L227-L229 VanDerWaalsContact O-N 3.09Å |
| 228 | H | 65.6 | Low | 56.1 | Low | 162 Ų | 162 | 89.8 Ų | 89.8 | 75% | 0.75 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 22.3 | -175.5 | -58.9 | -69.8 | 0 | 0 | 0 | 114.2 | A225 L226 | A225-H228 VanDerWaalsContact O-CA 3.28Å; A225-H228 WeakPolarHBondContact O-CA 2.99Å; A225-H228 PolarHBondContact O-N 2.92Å; L226-H228 PolarHBondContact O-N 3.12Å |
| 229 | L | 67.9 | Low | 54.9 | Low | 68 Ų | 68 | 94.6 Ų | 94.6 | 36% | 0.356 | 51% | 0.506 | S | S | . | . | trans | -84.1 | -25.1 | 178.4 | -61.9 | 176.7 | 0 | 0 | 0 | 111.8 | S154 Q156 C157 C160 C224 L227 | S154-L229 PolarHBondContact OG-O 2.85Å; Q156-L229 HydrophobicContact CB-CD2 4.35Å; C157-L229 WeakPolarHBondContact CA-O 3.23Å; C157-L229 VanDerWaalsContact CB-O 3.29Å; C157-L229 WeakPolarHBondContact CB-O 3.19Å; C157-L229 PolarHBondContact N-O 2.89Å; C160-L229 HydrophobicContact CB-CB 4.33Å; C160-L229 HydrophobicContact CB-CD1 3.8Å; C224-L229 PolarHBondContact O-N 3.38Å; L227-L229 HydrophobicContact CB-CD1 4Å; L227-L229 HydrophobicContact CB-CG 3.93Å; L227-L229 HydrophobicContact CD1-CD1 4.28Å; L227-L229 PolarHBondContact O-N 2.86Å; L227-L229 VanDerWaalsContact O-N 3.09Å | ||
| 230 | C | 67.8 | Low | 53.3 | Low | 7 Ų | 7 | 100.3 Ų | 100.3 | 5% | 0.047 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -104.5 | 122.1 | 169.7 | -65 | 0 | 0 | 0 | 0 | 110 | C157 C224 F232 | C157-C230 WeakPolarHBondContact CA-SG 3.39Å; C157-C230 HydrophobicContact CB-CB 3.87Å; C157-C230 WeakPolarHBondContact CB-SG 3.41Å; C157-C230 VanDerWaalsContact SG-CA 3.57Å; C157-C230 WeakPolarHBondContact SG-CB 3.37Å; C157-C230 CovalentContact SG-SG 2.04Å; C157-C230 PolarHBondContact SG-SG 3.23Å; C224-C230 VanDerWaalsContact CB-SG 3.52Å; C224-C230 PolarHBondContact O-N 2.77Å; C224-C230 VanDerWaalsContact O-N 3.12Å; C230-F232 HydrophobicContact CB-CD2 4.38Å; C230-F232 HydrophobicContact CB-CE2 3.9Å |
| 231 | L | 61.5 | Low | 52 | Low | 121 Ų | 121 | 102.2 Ų | 102.2 | 63% | 0.634 | 54% | 0.538 | S | S | * | . | trans | -86.5 | 117.1 | 170.8 | -71 | 168.6 | 0 | 0 | 0 | 108.7 | ||||
| 232 | F | 52.5 | Low | 50.9 | Low | 92 Ų | 92 | 102.6 Ų | 102.6 | 40% | 0.404 | 54% | 0.542 | S | S | . | . | trans | -99.9 | 132.8 | 167 | -74.1 | -83.8 | 0 | 0 | 0 | 109.2 | A225 C230 E234 | A225-F232 HydrophobicContact CB-CD2 4.01Å; A225-F232 HydrophobicContact CB-CE2 3.8Å; C230-F232 HydrophobicContact CB-CD2 4.38Å; C230-F232 HydrophobicContact CB-CE2 3.9Å; F232-E234 VanDerWaalsContact C-N 3.32Å; F232-E234 HydrophobicContact CB-CG 3.82Å; F232-E234 PolarHBondContact O-N 3.03Å | ||
| 233 | Q | 41.8 | Very low | 50.3 | Low | 197 Ų | 197 | 104.4 Ų | 104.4 | 92% | 0.921 | 55% | 0.553 | S | S | * | * | trans | -76.5 | 96.7 | 148.4 | -172 | 145.9 | -2.2 | 0 | 0 | 105.5 | T235 | Q233-T235 PolarHBondContact O-N 2.84Š| ||
| 234 | E | 35.7 | Very low | 50.1 | Low | 157 Ų | 157 | 104.4 Ų | 104.4 | 73% | 0.734 | 56% | 0.557 | S | S | * | * | trans | -68.5 | 121.5 | -163.3 | -68.1 | -169.7 | 171.3 | 0 | 0 | 113.4 | F232 | F232-E234 VanDerWaalsContact C-N 3.32Å; F232-E234 HydrophobicContact CB-CG 3.82Å; F232-E234 PolarHBondContact O-N 3.03Å | ||
| 235 | T | 29.1 | Very low | 51 | Low | 123 Ų | 123 | 106.2 Ų | 106.2 | 76% | 0.755 | 57% | 0.567 | S | S | * | * | -153.5 | 157.8 | 126.6 | 46.5 | 0 | 0 | 0 | 0 | 108.3 | Q233 | Q233-T235 PolarHBondContact O-N 2.84Š| |||
| 236 | P | 46.2 | Very low | 51.5 | Low | 96 Ų | 96 | 105.6 Ų | 105.6 | 62% | 0.623 | 56% | 0.561 | S | S | * | * | cis | -131.6 | 139.1 | -40.4 | 34.4 | -18.4 | 0 | 0 | 0 | 112.1 | ||||
| 237 | S | 28.9 | Very low | 52.4 | Low | 104 Ų | 104 | 102.9 Ų | 102.9 | 73% | 0.727 | 55% | 0.547 | S | S | * | . | S | Bend | trans | 177.7 | 123.7 | 151.4 | 163.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 238 | M | 32.3 | Very low | 53.4 | Low | 183 Ų | 183 | 98.3 Ų | 98.3 | 90% | 0.901 | 52% | 0.523 | S | S | * | . | trans | 65.8 | 67.6 | 166.4 | -66.2 | -176.3 | -155.9 | 0 | 0 | 116.8 | ||||
| 239 | E | 29.7 | Very low | 54.5 | Low | 152 Ų | 152 | 90.6 Ų | 90.6 | 71% | 0.71 | 49% | 0.488 | S | S | * | . | trans | -91.2 | 130.7 | 131.2 | -80.3 | -175 | 147.3 | 0 | 0 | 108.1 | ||||
| 240 | M | 29.6 | Very low | 55.4 | Low | 170 Ų | 170 | 91.5 Ų | 91.5 | 84% | 0.837 | 49% | 0.486 | S | S | * | . | trans | -42.8 | 125.4 | 155.7 | -168.8 | 179.3 | -60.2 | 0 | 0 | 107.4 | L242 | M240-L242 PolarHBondContact O-N 3.39Š| ||
| 241 | P | 38.3 | Very low | 56.3 | Low | 51 Ų | 51 | 93.4 Ų | 93.4 | 33% | 0.331 | 50% | 0.498 | S | S | . | . | trans | -58.6 | 113.6 | -177.2 | 0.2 | 3 | 0 | 0 | 0 | 107.1 | V319 | P241-V319 HydrophobicContact CG-CB 4.37Å; P241-V319 HydrophobicContact CG-CG2 3.38Å | ||
| 242 | L | 38.5 | Very low | 57.6 | Low | 89 Ų | 89 | 87.6 Ų | 87.6 | 47% | 0.466 | 47% | 0.468 | S | S | . | . | trans | -53.9 | 134.9 | 168.3 | -83.5 | 100 | 0 | 0 | 0 | 106.1 | M240 S244 D245 | M240-L242 PolarHBondContact O-N 3.39Å; L242-S244 PolarHBondContact O-N 2.86Å; L242-D245 PolarHBondContact O-N 3.26Å | ||
| 243 | P | 51.5 | Low | 59.3 | Low | 101 Ų | 101 | 83.3 Ų | 83.3 | 66% | 0.656 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -47.2 | -26.6 | 178.6 | -28.7 | 33 | 0 | 0 | 0 | 113.5 | D247 | P243-D247 VanDerWaalsContact O-CG 3.29Å; P243-D247 PolarHBondContact O-N 3.29Å |
| 244 | S | 65.9 | Low | 61.4 | Low | 52 Ų | 52 | 77.9 Ų | 77.9 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.6 | -33.7 | 179.5 | 66.3 | 0 | 0 | 0 | 0 | 115.6 | L242 S248 | L242-S244 PolarHBondContact O-N 2.86Å; S244-S248 WeakPolarHBondContact O-CB 3.26Å; S244-S248 PolarHBondContact O-N 2.66Å; S244-S248 PolarHBondContact O-OG 2.94Å |
| 245 | D | 81.9 | Confident | 63.8 | Low | 37 Ų | 37 | 71.4 Ų | 71.4 | 20% | 0.198 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -81.4 | -39.2 | -170.8 | -70.4 | -2.1 | 0 | 0 | 0 | 111.5 | L242 D247 S248 C249 F290 Y294 | L242-D245 PolarHBondContact O-N 3.26Å; D245-D247 VanDerWaalsContact C-N 3.35Å; D245-S248 PolarHBondContact O-N 3.32Å; D245-C249 WeakPolarHBondContact O-CB 3.22Å; D245-C249 PolarHBondContact O-N 3.22Å; D245-F290 HydrophobicContact CB-CE2 4.09Å; D245-Y294 PolarHBondContact OD2-OH 3.19Å |
| 246 | C | 83.6 | Confident | 66.6 | Low | 16 Ų | 16 | 65.6 Ų | 65.6 | 11% | 0.108 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 171.5 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | C249 R250 M317 C318 | C246-C249 PolarHBondContact O-N 3.08Å; C246-R250 WeakPolarHBondContact O-CB 3.31Å; C246-R250 VanDerWaalsContact O-CG 3.28Å; C246-R250 WeakPolarHBondContact O-CG 3.27Å; C246-R250 PolarHBondContact O-N 2.98Å; C246-M317 WeakPolarHBondContact CA-O 3.36Å; C246-M317 VanDerWaalsContact CB-O 3.27Å; C246-M317 WeakPolarHBondContact CB-O 3.06Å; C246-M317 PolarHBondContact N-O 3.33Å; C246-C318 WeakPolarHBondContact CA-SG 3.43Å; C246-C318 HydrophobicContact CB-CB 4.06Å; C246-C318 WeakPolarHBondContact CB-SG 3.45Å; C246-C318 WeakPolarHBondContact SG-CB 3.34Å; C246-C318 CovalentContact SG-SG 2.04Å; C246-C318 PolarHBondContact SG-SG 3.46Å |
| 247 | D | 84.3 | Confident | 68.5 | Low | 83 Ų | 83 | 64.3 Ų | 64.3 | 44% | 0.444 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 179 | -70.8 | -21 | 0 | 0 | 0 | 112.3 | P243 D245 R250 T251 | P243-D247 VanDerWaalsContact O-CG 3.29Å; P243-D247 PolarHBondContact O-N 3.29Å; D245-D247 VanDerWaalsContact C-N 3.35Å; D247-R250 PolarHBondContact O-N 2.76Å; D247-R250 IonicContact OD1-NH1 3.27Å; D247-T251 WeakPolarHBondContact O-CB 3.49Å; D247-T251 PolarHBondContact O-N 3.26Å; D247-T251 PolarHBondContact O-OG1 3.36Å |
| 248 | S | 87.8 | Confident | 71.2 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 3% | 0.028 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 173.4 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | S244 D245 T251 L252 | S244-S248 WeakPolarHBondContact O-CB 3.26Å; S244-S248 PolarHBondContact O-N 2.66Å; S244-S248 PolarHBondContact O-OG 2.94Å; D245-S248 PolarHBondContact O-N 3.32Å; S248-T251 PolarHBondContact O-N 3.12Å; S248-L252 PolarHBondContact O-N 2.94Å |
| 249 | C | 89.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | D245 C246 T251 L252 A253 C312 M317 | D245-C249 WeakPolarHBondContact O-CB 3.22Å; D245-C249 PolarHBondContact O-N 3.22Å; C246-C249 PolarHBondContact O-N 3.08Å; C249-T251 VanDerWaalsContact C-N 3.27Å; C249-T251 PolarHBondContact O-N 3.26Å; C249-L252 CarbonylContact O-C 3.57Å; C249-L252 PolarHBondContact O-N 3.4Å; C249-L252 VanDerWaalsContact O-N 3.13Å; C249-A253 WeakPolarHBondContact O-CB 3.39Å; C249-A253 PolarHBondContact O-N 2.91Å; C249-C312 HydrophobicContact CB-CB 3.8Å; C249-C312 WeakPolarHBondContact CB-SG 3.44Å; C249-C312 PolarHBondContact O-SG 3.38Å; C249-C312 VanDerWaalsContact O-SG 3.39Å; C249-C312 WeakPolarHBondContact SG-CA 3.38Å; C249-C312 WeakPolarHBondContact SG-CB 3.39Å; C249-C312 CovalentContact SG-SG 2.04Å; C249-C312 PolarHBondContact SG-SG 3.17Å; C249-M317 HydrophobicContact CB-CB 3.94Å; C249-M317 HydrophobicContact CB-CG 4.39Å; C249-M317 HydrophobicContact CB-SD 3.46Å; C249-M317 WeakPolarHBondContact CB-SD 3.31Å; C249-M317 PolarHBondContact SG-SD 3.44Å |
| 250 | R | 87.8 | Confident | 76.4 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 179.5 | -76.8 | 170.8 | 173.2 | 169 | -1.4 | 111.3 | C246 D247 A253 V254 C312 | C246-R250 WeakPolarHBondContact O-CB 3.31Å; C246-R250 VanDerWaalsContact O-CG 3.28Å; C246-R250 WeakPolarHBondContact O-CG 3.27Å; C246-R250 PolarHBondContact O-N 2.98Å; D247-R250 PolarHBondContact O-N 2.76Å; D247-R250 IonicContact OD1-NH1 3.27Å; R250-A253 PolarHBondContact O-N 3.07Å; R250-V254 WeakPolarHBondContact O-CG2 3.48Å; R250-V254 PolarHBondContact O-N 3.38Å; R250-C312 PolarHBondContact N-SG 2.81Å; R250-C312 VanDerWaalsContact N-SG 3.37Å |
| 251 | T | 84.9 | Confident | 78.7 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 29% | 0.288 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 175.6 | -58 | 0 | 0 | 0 | 0 | 111.2 | D247 S248 C249 A253 V254 L255 A283 I284 | D247-T251 WeakPolarHBondContact O-CB 3.49Å; D247-T251 PolarHBondContact O-N 3.26Å; D247-T251 PolarHBondContact O-OG1 3.36Å; S248-T251 PolarHBondContact O-N 3.12Å; C249-T251 VanDerWaalsContact C-N 3.27Å; C249-T251 PolarHBondContact O-N 3.26Å; T251-A253 PolarHBondContact O-N 3.27Å; T251-V254 PolarHBondContact O-N 2.91Å; T251-L255 HydrophobicContact CG2-CD1 4.04Å; T251-L255 WeakPolarHBondContact O-CB 3.46Å; T251-L255 VanDerWaalsContact O-CG 3.31Å; T251-L255 WeakPolarHBondContact O-CG 3.33Å; T251-L255 PolarHBondContact O-N 3.28Å; T251-A283 HydrophobicContact CG2-CB 4.16Å; T251-I284 HydrophobicContact CG2-CD1 4.43Å; T251-I284 HydrophobicContact CG2-CG1 3.95Å |
| 252 | L | 89.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 174.1 | -75.5 | 178.9 | 0 | 0 | 0 | 113.3 | S248 C249 L255 S256 F272 L273 V276 I284 F290 T291 L298 L302 | S248-L252 PolarHBondContact O-N 2.94Å; C249-L252 CarbonylContact O-C 3.57Å; C249-L252 PolarHBondContact O-N 3.4Å; C249-L252 VanDerWaalsContact O-N 3.13Å; L252-L255 PolarHBondContact O-N 2.9Å; L252-S256 WeakPolarHBondContact O-CA 3.14Å; L252-S256 WeakPolarHBondContact O-CB 3.35Å; L252-S256 PolarHBondContact O-N 3.39Å; L252-F272 HydrophobicContact CD2-CE1 4.19Å; L252-F272 HydrophobicContact CD2-CZ 4.35Å; L252-L273 HydrophobicContact CD1-CD2 4.04Å; L252-V276 HydrophobicContact CD2-CB 4.33Å; L252-V276 HydrophobicContact CD2-CG1 3.64Å; L252-V276 HydrophobicContact CD2-CG2 3.81Å; L252-I284 HydrophobicContact CD1-CD1 4.19Å; L252-I284 HydrophobicContact CD2-CD1 3.27Å; L252-I284 HydrophobicContact CG-CD1 3.41Å; L252-I284 VanDerWaalsContact CG-CD1 3.41Å; L252-F290 HydrophobicContact CD1-CD1 3.98Å; L252-F290 HydrophobicContact CD1-CE1 3.79Å; L252-T291 HydrophobicContact CD1-CG2 4.27Å; L252-L298 HydrophobicContact CD1-CD1 3.73Å; L252-L302 HydrophobicContact CB-CD1 4.18Å; L252-L302 HydrophobicContact CB-CD2 4.16Å |
| 253 | A | 88.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C249 R250 T251 R257 L302 A308 T311 | C249-A253 WeakPolarHBondContact O-CB 3.39Å; C249-A253 PolarHBondContact O-N 2.91Å; R250-A253 PolarHBondContact O-N 3.07Å; T251-A253 PolarHBondContact O-N 3.27Å; A253-R257 WeakPolarHBondContact O-CG 3.41Å; A253-R257 PolarHBondContact O-N 3.47Å; A253-L302 HydrophobicContact CB-CD2 3.91Å; A253-A308 HydrophobicContact CB-CB 3.74Å; A253-T311 HydrophobicContact CB-CG2 4.26Å |
| 254 | V | 85.6 | Confident | 84.5 | Confident | 84 Ų | 84 | 49.1 Ų | 49.1 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.2 | -47.5 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 111 | R250 T251 R257 L258 A308 | R250-V254 WeakPolarHBondContact O-CG2 3.48Å; R250-V254 PolarHBondContact O-N 3.38Å; T251-V254 PolarHBondContact O-N 2.91Å; V254-R257 PolarHBondContact O-N 3.31Å; V254-L258 PolarHBondContact O-N 3.2Å; V254-A308 HydrophobicContact CG2-CB 4.12Å |
| 255 | L | 86.7 | Confident | 85.6 | Confident | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 178.9 | -70.6 | 175.1 | 0 | 0 | 0 | 112.1 | T251 L252 R257 L258 H259 F272 V276 H280 A283 | T251-L255 HydrophobicContact CG2-CD1 4.04Å; T251-L255 WeakPolarHBondContact O-CB 3.46Å; T251-L255 VanDerWaalsContact O-CG 3.31Å; T251-L255 WeakPolarHBondContact O-CG 3.33Å; T251-L255 PolarHBondContact O-N 3.28Å; L252-L255 PolarHBondContact O-N 2.9Å; L255-R257 VanDerWaalsContact C-N 3.35Å; L255-R257 PolarHBondContact O-N 2.66Å; L255-L258 PolarHBondContact O-N 2.89Å; L255-L258 VanDerWaalsContact O-N 3.16Å; L255-H259 PolarHBondContact O-CD2 3.42Å; L255-H259 VanDerWaalsContact O-CD2 3.27Å; L255-H259 PolarHBondContact O-N 2.93Å; L255-F272 HydrophobicContact CB-CE2 4.28Å; L255-F272 HydrophobicContact CB-CZ 3.8Å; L255-V276 HydrophobicContact CB-CG2 4.49Å; L255-V276 HydrophobicContact CD1-CG2 3.96Å; L255-H280 HydrophobicContact CD1-CB 4.35Å; L255-A283 HydrophobicContact CD1-CB 4.44Å |
| 256 | S | 88 | Confident | 85.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | L252 L258 H259 L260 F272 L302 | L252-S256 WeakPolarHBondContact O-CA 3.14Å; L252-S256 WeakPolarHBondContact O-CB 3.35Å; L252-S256 PolarHBondContact O-N 3.39Å; S256-L258 VanDerWaalsContact C-N 3.32Å; S256-L258 PolarHBondContact O-N 3.03Å; S256-H259 PolarHBondContact O-N 2.84Å; S256-L260 WeakPolarHBondContact O-CA 3.14Å; S256-L260 VanDerWaalsContact O-CB 3.28Å; S256-L260 WeakPolarHBondContact O-CB 3.43Å; S256-L260 PolarHBondContact O-N 3.17Å; S256-F272 VanDerWaalsContact N-CZ 3.34Å; S256-L302 PolarHBondContact OG-O 2.88Å |
| 257 | R | 85.7 | Confident | 86 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 175.7 | -73.3 | -168.1 | -159.1 | 111.9 | 32.2 | 113 | A253 V254 L255 G261 M306 D307 | A253-R257 WeakPolarHBondContact O-CG 3.41Å; A253-R257 PolarHBondContact O-N 3.47Å; V254-R257 PolarHBondContact O-N 3.31Å; L255-R257 VanDerWaalsContact C-N 3.35Å; L255-R257 PolarHBondContact O-N 2.66Å; R257-G261 VanDerWaalsContact O-CA 3.26Å; R257-G261 WeakPolarHBondContact O-CA 3.48Å; R257-G261 PolarHBondContact O-N 2.87Å; R257-M306 PolarHBondContact NE-O 2.94Å; R257-M306 PolarHBondContact NH2-O 3.47Å; R257-D307 PolarHBondContact NH2-O 3.02Å |
| 258 | L | 84.4 | Confident | 86.2 | Confident | 135 Ų | 135 | 57.7 Ų | 57.7 | 71% | 0.707 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.3 | -39.3 | 179.6 | -174.1 | 66 | 0 | 0 | 0 | 112.3 | V254 L255 S256 | V254-L258 PolarHBondContact O-N 3.2Å; L255-L258 PolarHBondContact O-N 2.89Å; L255-L258 VanDerWaalsContact O-N 3.16Å; S256-L258 VanDerWaalsContact C-N 3.32Å; S256-L258 PolarHBondContact O-N 3.03Å |
| 259 | H | 84.3 | Confident | 86.2 | Confident | 89 Ų | 89 | 57.5 Ų | 57.5 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -90.8 | -35.9 | -175.8 | -78.1 | -82.5 | 0 | 0 | 0 | 113.9 | L255 S256 F272 H280 | L255-H259 PolarHBondContact O-CD2 3.42Å; L255-H259 VanDerWaalsContact O-CD2 3.27Å; L255-H259 PolarHBondContact O-N 2.93Å; S256-H259 PolarHBondContact O-N 2.84Å; H259-F272 HydrophobicContact CB-CD2 4.18Å; H259-F272 HydrophobicContact CB-CE2 4.15Å; H259-H280 AromaticContact NE2-NE2 3.38Å; H259-H280 PolarHBondContact NE2-NE2 2.9Å |
| 260 | L | 87.1 | Confident | 86.1 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -109.3 | -18.2 | -172.6 | -53.7 | -179.7 | 0 | 0 | 0 | 113.6 | S256 A264 F272 | S256-L260 WeakPolarHBondContact O-CA 3.14Å; S256-L260 VanDerWaalsContact O-CB 3.28Å; S256-L260 WeakPolarHBondContact O-CB 3.43Å; S256-L260 PolarHBondContact O-N 3.17Å; L260-A264 HydrophobicContact CB-CB 3.78Å; L260-A264 HydrophobicContact CD1-CB 3.78Å; L260-A264 HydrophobicContact CG-CB 4.43Å; L260-F272 HydrophobicContact CD1-CB 3.7Å; L260-F272 HydrophobicContact CD1-CD1 4.42Å; L260-F272 HydrophobicContact CD1-CG 4.01Å; L260-F272 HydrophobicContact CD2-CB 4.24Å; L260-F272 HydrophobicContact CG-CB 4.24Å; L260-F272 HydrophobicContact CG-CG 4.4Å |
| 261 | G | 79.4 | Confident | 86.2 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 32% | 0.32 | 33% | 0.327 | S | S | . | . | trans | 78.2 | -164.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R257 | R257-G261 VanDerWaalsContact O-CA 3.26Å; R257-G261 WeakPolarHBondContact O-CA 3.48Å; R257-G261 PolarHBondContact O-N 2.87Å | ||
| 262 | L | 79.6 | Confident | 86.6 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 57% | 0.571 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -85.3 | 143.4 | 175.5 | -64.5 | 169.7 | 0 | 0 | 0 | 110.1 | ||
| 263 | N | 83.8 | Confident | 86.6 | Confident | 95 Ų | 95 | 57 Ų | 57 | 51% | 0.508 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 67.8 | 45 | 179.3 | -58.1 | -58.8 | 0 | 0 | 0 | 114.8 | G303 Q305 | N263-G303 CarbonylContact C-O 3.47Å; N263-G303 WeakPolarHBondContact CA-O 3.1Å; N263-G303 PolarHBondContact N-O 3.5Å; N263-G303 VanDerWaalsContact N-O 3.12Å; N263-Q305 PolarHBondContact ND2-NE2 3.02Å; N263-Q305 WeakPolarHBondContact OD1-CG 3.28Å; N263-Q305 PolarHBondContact OD1-NE2 2.89Å |
| 264 | A | 86.8 | Confident | 86.7 | Confident | 14 Ų | 14 | 64 Ų | 64 | 12% | 0.116 | 35% | 0.349 | C | S | . | . | trans | -68.2 | 138.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | L260 G303 | L260-A264 HydrophobicContact CB-CB 3.78Å; L260-A264 HydrophobicContact CD1-CB 3.78Å; L260-A264 HydrophobicContact CG-CB 4.43Å; A264-G303 PolarHBondContact N-O 3.35Å; A264-G303 VanDerWaalsContact N-O 3.11Å | ||
| 265 | T | 88.5 | Confident | 86.9 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 42% | 0.423 | 34% | 0.337 | S | S | . | . | trans | -73.6 | 158.2 | 175.2 | 61.5 | 0 | 0 | 0 | 0 | 111.2 | Q268 T269 | T265-Q268 PolarHBondContact O-N 2.72Å; T265-Q268 VanDerWaalsContact O-N 3.16Å; T265-Q268 VanDerWaalsContact OG1-CG 3.24Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.3Å; T265-Q268 PolarHBondContact OG1-OE1 2.81Å; T265-T269 PolarHBondContact O-N 3.07Å; T265-T269 PolarHBondContact O-OG1 3.39Å | ||
| 266 | E | 86 | Confident | 87 | Confident | 106 Ų | 106 | 60.7 Ų | 60.7 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -51.4 | -46.5 | 174.8 | -69.8 | -172.2 | 164.6 | 0 | 0 | 113.8 | Q268 T269 S270 Q299 | E266-Q268 PolarHBondContact O-N 3.06Å; E266-T269 PolarHBondContact O-N 3.28Å; E266-S270 PolarHBondContact O-N 3.36Å; E266-Q299 HydrophobicContact CB-CG 4.09Å; E266-Q299 HydrophobicContact CG-CG 4.48Å; E266-Q299 VanDerWaalsContact O-CG 3.26Å; E266-Q299 WeakPolarHBondContact O-CG 3.44Å; E266-Q299 PolarHBondContact O-NE2 3.11Å |
| 267 | P | 87.8 | Confident | 87 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.7 | -36.5 | 177.7 | 21.9 | -33 | 0 | 0 | 0 | 113.4 | T269 S270 S271 | P267-T269 VanDerWaalsContact C-N 3.34Å; P267-S270 PolarHBondContact O-N 2.97Å; P267-S271 PolarHBondContact O-N 2.9Å |
| 268 | Q | 88.2 | Confident | 87.2 | Confident | 99 Ų | 99 | 64.2 Ų | 64.2 | 46% | 0.463 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.9 | -72.9 | 166.4 | -30.9 | 0 | 0 | 111.1 | T265 E266 S270 S271 F272 | T265-Q268 PolarHBondContact O-N 2.72Å; T265-Q268 VanDerWaalsContact O-N 3.16Å; T265-Q268 VanDerWaalsContact OG1-CG 3.24Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.3Å; T265-Q268 PolarHBondContact OG1-OE1 2.81Å; E266-Q268 PolarHBondContact O-N 3.06Å; Q268-S270 VanDerWaalsContact C-N 3.35Å; Q268-S270 PolarHBondContact O-N 3.48Å; Q268-S271 PolarHBondContact O-N 3.04Å; Q268-F272 PolarHBondContact O-N 2.91Å |
| 269 | T | 87.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 178 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | T265 E266 P267 F272 L273 L302 | T265-T269 PolarHBondContact O-N 3.07Å; T265-T269 PolarHBondContact O-OG1 3.39Å; E266-T269 PolarHBondContact O-N 3.28Å; P267-T269 VanDerWaalsContact C-N 3.34Å; T269-F272 PolarHBondContact O-N 3.41Å; T269-L273 HydrophobicContact CG2-CD1 4.32Å; T269-L273 WeakPolarHBondContact O-CG 3.03Å; T269-L273 PolarHBondContact O-N 3.1Å; T269-L302 HydrophobicContact CG2-CB 3.7Å; T269-L302 HydrophobicContact CG2-CD1 4.31Å |
| 270 | S | 86.7 | Confident | 87.1 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | E266 P267 Q268 F272 L273 Q274 | E266-S270 PolarHBondContact O-N 3.36Å; P267-S270 PolarHBondContact O-N 2.97Å; Q268-S270 VanDerWaalsContact C-N 3.35Å; Q268-S270 PolarHBondContact O-N 3.48Å; S270-F272 VanDerWaalsContact C-N 3.3Å; S270-F272 PolarHBondContact O-N 2.96Å; S270-L273 PolarHBondContact O-N 2.04Å; S270-Q274 WeakPolarHBondContact O-CG 3.44Å; S270-Q274 PolarHBondContact O-N 3.41Å; S270-Q274 VanDerWaalsContact O-N 3.11Å |
| 271 | S | 91.3 | Very high | 86.5 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 176.8 | -175 | 0 | 0 | 0 | 0 | 112.2 | P267 Q268 Q274 S275 | P267-S271 PolarHBondContact O-N 2.9Å; Q268-S271 PolarHBondContact O-N 3.04Å; S271-Q274 PolarHBondContact O-N 3.49Å; S271-S275 PolarHBondContact O-N 3.03Å; S271-S275 PolarHBondContact O-OG 3.32Å |
| 272 | F | 92.8 | Very high | 86.3 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 172 | 167.2 | -101.8 | 0 | 0 | 0 | 112.3 | L252 L255 S256 H259 L260 Q268 T269 S270 Q274 S275 V276 L302 | L252-F272 HydrophobicContact CD2-CE1 4.19Å; L252-F272 HydrophobicContact CD2-CZ 4.35Å; L255-F272 HydrophobicContact CB-CE2 4.28Å; L255-F272 HydrophobicContact CB-CZ 3.8Å; S256-F272 VanDerWaalsContact N-CZ 3.34Å; H259-F272 HydrophobicContact CB-CD2 4.18Å; H259-F272 HydrophobicContact CB-CE2 4.15Å; L260-F272 HydrophobicContact CD1-CB 3.7Å; L260-F272 HydrophobicContact CD1-CD1 4.42Å; L260-F272 HydrophobicContact CD1-CG 4.01Å; L260-F272 HydrophobicContact CD2-CB 4.24Å; L260-F272 HydrophobicContact CG-CB 4.24Å; L260-F272 HydrophobicContact CG-CG 4.4Å; Q268-F272 PolarHBondContact O-N 2.91Å; T269-F272 PolarHBondContact O-N 3.41Å; S270-F272 VanDerWaalsContact C-N 3.3Å; S270-F272 PolarHBondContact O-N 2.96Å; F272-Q274 PolarHBondContact O-N 3.04Å; F272-S275 PolarHBondContact O-N 3.07Å; F272-S275 PolarHBondContact O-OG 2.83Å; F272-V276 HydrophobicContact CD2-CB 4.23Å; F272-V276 HydrophobicContact CE1-CB 4.28Å; F272-V276 HydrophobicContact CE1-CG1 4.48Å; F272-V276 HydrophobicContact CE1-CG2 4.25Å; F272-V276 HydrophobicContact CE2-CB 3.83Å; F272-V276 HydrophobicContact CE2-CG2 3.65Å; F272-V276 HydrophobicContact CZ-CB 3.86Å; F272-V276 HydrophobicContact CZ-CG1 4.48Å; F272-V276 HydrophobicContact CZ-CG2 3.48Å; F272-V276 VanDerWaalsContact CZ-CG2 3.48Å; F272-V276 WeakPolarHBondContact O-CB 3.43Å; F272-V276 PolarHBondContact O-N 3.3Å; F272-L302 HydrophobicContact CE1-CD1 4.39Å |
| 273 | L | 90.3 | Very high | 86.1 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -30.3 | 179.8 | -75.4 | 167.1 | 0 | 0 | 0 | 113.3 | L252 T269 S270 T291 L298 Q299 L302 | L252-L273 HydrophobicContact CD1-CD2 4.04Å; T269-L273 HydrophobicContact CG2-CD1 4.32Å; T269-L273 WeakPolarHBondContact O-CG 3.03Å; T269-L273 PolarHBondContact O-N 3.1Å; S270-L273 PolarHBondContact O-N 2.04Å; L273-T291 HydrophobicContact CD2-CG2 4.11Å; L273-L298 HydrophobicContact CD1-CB 3.92Å; L273-L298 HydrophobicContact CD2-CB 4.2Å; L273-L298 HydrophobicContact CD2-CD1 4.06Å; L273-Q299 HydrophobicContact CD1-CB 4.33Å; L273-L302 HydrophobicContact CD1-CD1 4.46Å; L273-L302 HydrophobicContact CD2-CD1 3.76Å; L273-L302 HydrophobicContact CG-CD1 4.27Å |
| 274 | Q | 89.4 | Confident | 85.8 | Confident | 146 Ų | 146 | 60.8 Ų | 60.8 | 68% | 0.682 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -73 | -27.5 | 174.9 | -71.1 | 176.4 | 2.1 | 0 | 0 | 113.5 | S270 S271 F272 | S270-Q274 WeakPolarHBondContact O-CG 3.44Å; S270-Q274 PolarHBondContact O-N 3.41Å; S270-Q274 VanDerWaalsContact O-N 3.11Å; S271-Q274 PolarHBondContact O-N 3.49Å; F272-Q274 PolarHBondContact O-N 3.04Å |
| 275 | S | 89.3 | Confident | 85.3 | Confident | 37 Ų | 37 | 64.5 Ų | 64.5 | 26% | 0.259 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -109.1 | -21.1 | -171.5 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | S271 F272 C277 L278 Q279 | S271-S275 PolarHBondContact O-N 3.03Å; S271-S275 PolarHBondContact O-OG 3.32Å; F272-S275 PolarHBondContact O-N 3.07Å; F272-S275 PolarHBondContact O-OG 2.83Å; S275-C277 VanDerWaalsContact C-N 3.32Å; S275-C277 PolarHBondContact O-N 2.9Å; S275-L278 WeakPolarHBondContact O-CB 3.28Å; S275-L278 PolarHBondContact O-N 3.31Å; S275-L278 VanDerWaalsContact O-N 3.11Å; S275-Q279 PolarHBondContact O-N 2.04Å; S275-Q279 VanDerWaalsContact O-N 3.14Å |
| 276 | V | 90.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.2 | -36.9 | -174.5 | 66.4 | 0 | 0 | 0 | 0 | 113.1 | L252 L255 F272 L278 Q279 H280 T291 | L252-V276 HydrophobicContact CD2-CB 4.33Å; L252-V276 HydrophobicContact CD2-CG1 3.64Å; L252-V276 HydrophobicContact CD2-CG2 3.81Å; L255-V276 HydrophobicContact CB-CG2 4.49Å; L255-V276 HydrophobicContact CD1-CG2 3.96Å; F272-V276 HydrophobicContact CD2-CB 4.23Å; F272-V276 HydrophobicContact CE1-CB 4.28Å; F272-V276 HydrophobicContact CE1-CG1 4.48Å; F272-V276 HydrophobicContact CE1-CG2 4.25Å; F272-V276 HydrophobicContact CE2-CB 3.83Å; F272-V276 HydrophobicContact CE2-CG2 3.65Å; F272-V276 HydrophobicContact CZ-CB 3.86Å; F272-V276 HydrophobicContact CZ-CG1 4.48Å; F272-V276 HydrophobicContact CZ-CG2 3.48Å; F272-V276 VanDerWaalsContact CZ-CG2 3.48Å; F272-V276 WeakPolarHBondContact O-CB 3.43Å; F272-V276 PolarHBondContact O-N 3.3Å; V276-L278 VanDerWaalsContact C-N 3.31Å; V276-L278 PolarHBondContact O-N 2.94Å; V276-Q279 PolarHBondContact O-N 3.27Å; V276-H280 WeakPolarHBondContact O-CB 3.4Å; V276-H280 PolarHBondContact O-N 3.21Å; V276-T291 HydrophobicContact CG1-CG2 4.2Å |
| 277 | C | 87.7 | Confident | 84.5 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69 | -29.7 | 178.6 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | S275 H280 P281 C287 E288 T291 | S275-C277 VanDerWaalsContact C-N 3.32Å; S275-C277 PolarHBondContact O-N 2.9Å; C277-H280 CarbonylContact O-C 3.46Å; C277-P281 VanDerWaalsContact O-CA 3.31Å; C277-P281 WeakPolarHBondContact O-CA 3.5Å; C277-C287 WeakPolarHBondContact CA-SG 3.42Å; C277-C287 HydrophobicContact CB-CB 3.66Å; C277-C287 WeakPolarHBondContact CB-SG 3.37Å; C277-C287 WeakPolarHBondContact SG-CB 3.32Å; C277-C287 PolarHBondContact SG-O 2.97Å; C277-C287 VanDerWaalsContact SG-O 3.35Å; C277-C287 CovalentContact SG-SG 2.04Å; C277-C287 PolarHBondContact SG-SG 2.99Å; C277-E288 HydrophobicContact CB-CG 4.27Å; C277-T291 VanDerWaalsContact SG-CG2 3.52Å |
| 278 | L | 89.4 | Confident | 84.3 | Confident | 132 Ų | 132 | 67.3 Ų | 67.3 | 69% | 0.691 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -76.4 | -34.7 | 175.7 | -63.8 | 173.4 | 0 | 0 | 0 | 111.3 | S275 V276 | S275-L278 WeakPolarHBondContact O-CB 3.28Å; S275-L278 PolarHBondContact O-N 3.31Å; S275-L278 VanDerWaalsContact O-N 3.11Å; V276-L278 VanDerWaalsContact C-N 3.31Å; V276-L278 PolarHBondContact O-N 2.94Å |
| 279 | Q | 86.1 | Confident | 83.8 | Confident | 104 Ų | 104 | 68.9 Ų | 68.9 | 49% | 0.486 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -79.6 | -28.3 | 179.1 | -65.9 | 179.2 | 7 | 0 | 0 | 112.6 | S275 V276 | S275-Q279 PolarHBondContact O-N 2.04Å; S275-Q279 VanDerWaalsContact O-N 3.14Å; V276-Q279 PolarHBondContact O-N 3.27Å |
| 280 | H | 81.1 | Confident | 83.6 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 26% | 0.255 | 37% | 0.372 | S | S | . | . | trans | -132.4 | 65.9 | -176.9 | -58.6 | -83 | 0 | 0 | 0 | 111.6 | L255 H259 V276 C277 N282 A283 | L255-H280 HydrophobicContact CD1-CB 4.35Å; H259-H280 AromaticContact NE2-NE2 3.38Å; H259-H280 PolarHBondContact NE2-NE2 2.9Å; V276-H280 WeakPolarHBondContact O-CB 3.4Å; V276-H280 PolarHBondContact O-N 3.21Å; C277-H280 CarbonylContact O-C 3.46Å; H280-N282 PolarHBondContact O-N 3.37Å; H280-N282 VanDerWaalsContact O-N 3.08Å; H280-A283 HydrophobicContact CB-CB 3.68Å; H280-A283 PolarHBondContact O-N 3.47Å | ||
| 281 | P | 74.6 | Confident | 83.4 | Confident | 86 Ų | 86 | 68.6 Ų | 68.6 | 56% | 0.558 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.9 | -170 | 23.9 | -34.9 | 0 | 0 | 0 | 114.7 | C277 | C277-P281 VanDerWaalsContact O-CA 3.31Å; C277-P281 WeakPolarHBondContact O-CA 3.5Å |
| 282 | N | 75.4 | Confident | 83 | Confident | 155 Ų | 155 | 73.9 Ų | 73.9 | 83% | 0.829 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -1.4 | -177.7 | -60.5 | -36.1 | 0 | 0 | 0 | 113.6 | H280 I284 | H280-N282 PolarHBondContact O-N 3.37Å; H280-N282 VanDerWaalsContact O-N 3.08Å; N282-I284 VanDerWaalsContact C-N 3.34Å |
| 283 | A | 74.4 | Confident | 82.4 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 34% | 0.339 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -27.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T251 L255 H280 | T251-A283 HydrophobicContact CG2-CB 4.16Å; L255-A283 HydrophobicContact CD1-CB 4.44Å; H280-A283 HydrophobicContact CB-CB 3.68Å; H280-A283 PolarHBondContact O-N 3.47Å |
| 284 | I | 78.5 | Confident | 82.1 | Confident | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -132.7 | 121.7 | -175.6 | -62.7 | 156.1 | 0 | 0 | 0 | 108.9 | T251 L252 N282 K286 C287 F290 | T251-I284 HydrophobicContact CG2-CD1 4.43Å; T251-I284 HydrophobicContact CG2-CG1 3.95Å; L252-I284 HydrophobicContact CD1-CD1 4.19Å; L252-I284 HydrophobicContact CD2-CD1 3.27Å; L252-I284 HydrophobicContact CG-CD1 3.41Å; L252-I284 VanDerWaalsContact CG-CD1 3.41Å; N282-I284 VanDerWaalsContact C-N 3.34Å; I284-K286 PolarHBondContact O-N 2.88Å; I284-C287 HydrophobicContact CB-CB 3.89Å; I284-C287 HydrophobicContact CG2-CB 4.09Å; I284-C287 WeakPolarHBondContact O-CB 3.29Å; I284-C287 PolarHBondContact O-N 3.42Å; I284-F290 HydrophobicContact CG2-CD1 4.39Å; I284-F290 HydrophobicContact CG2-CG 4.47Å |
| 285 | P | 75.9 | Confident | 81.8 | Confident | 92 Ų | 92 | 74.5 Ų | 74.5 | 60% | 0.597 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 128.2 | 174.5 | -23.2 | 33.5 | 0 | 0 | 0 | 111.2 | C287 | P285-C287 PolarHBondContact O-N 3.38Š|
| 286 | K | 76.5 | Confident | 81.7 | Confident | 173 Ų | 173 | 76.9 Ų | 76.9 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 39.6 | -179.5 | -56.2 | 178.5 | -179.3 | 174.7 | 0 | 113.3 | I284 E288 M289 F290 | I284-K286 PolarHBondContact O-N 2.88Å; K286-E288 VanDerWaalsContact C-N 3.31Å; K286-E288 PolarHBondContact O-N 3.26Å; K286-E288 VanDerWaalsContact O-N 3.12Å; K286-M289 HydrophobicContact CB-CB 4.44Å; K286-M289 WeakPolarHBondContact O-CB 3.44Å; K286-M289 PolarHBondContact O-N 2.8Å; K286-F290 PolarHBondContact O-N 3.42Å; K286-F290 VanDerWaalsContact O-N 3.09Å |
| 287 | C | 81.4 | Confident | 81.4 | Confident | 10 Ų | 10 | 82.3 Ų | 82.3 | 7% | 0.068 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -45.7 | -46.5 | -173.3 | -170.5 | 0 | 0 | 0 | 0 | 114.6 | C277 I284 P285 M289 F290 T291 | C277-C287 WeakPolarHBondContact CA-SG 3.42Å; C277-C287 HydrophobicContact CB-CB 3.66Å; C277-C287 WeakPolarHBondContact CB-SG 3.37Å; C277-C287 WeakPolarHBondContact SG-CB 3.32Å; C277-C287 PolarHBondContact SG-O 2.97Å; C277-C287 VanDerWaalsContact SG-O 3.35Å; C277-C287 CovalentContact SG-SG 2.04Å; C277-C287 PolarHBondContact SG-SG 2.99Å; I284-C287 HydrophobicContact CB-CB 3.89Å; I284-C287 HydrophobicContact CG2-CB 4.09Å; I284-C287 WeakPolarHBondContact O-CB 3.29Å; I284-C287 PolarHBondContact O-N 3.42Å; P285-C287 PolarHBondContact O-N 3.38Å; C287-M289 VanDerWaalsContact C-N 3.31Å; C287-M289 PolarHBondContact O-N 3.35Å; C287-F290 WeakPolarHBondContact O-CB 3.28Å; C287-F290 PolarHBondContact O-N 3.03Å; C287-F290 VanDerWaalsContact O-N 3.15Å; C287-T291 PolarHBondContact O-N 3.47Å; C287-T291 PolarHBondContact O-OG1 3.25Å |
| 288 | E | 83 | Confident | 81.4 | Confident | 144 Ų | 144 | 81.8 Ų | 81.8 | 67% | 0.673 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.5 | -38.7 | -178.2 | -64.5 | -175.9 | 174.2 | 0 | 0 | 113 | C277 K286 T291 K292 | C277-E288 HydrophobicContact CB-CG 4.27Å; K286-E288 VanDerWaalsContact C-N 3.31Å; K286-E288 PolarHBondContact O-N 3.26Å; K286-E288 VanDerWaalsContact O-N 3.12Å; E288-T291 PolarHBondContact O-OG1 3.15Å; E288-K292 WeakPolarHBondContact O-CB 3.44Å; E288-K292 PolarHBondContact O-N 3.09Å; E288-K292 VanDerWaalsContact O-N 3.16Å |
| 289 | M | 78 | Confident | 81.3 | Confident | 131 Ų | 131 | 77.9 Ų | 77.9 | 65% | 0.645 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.1 | -40.6 | 176.9 | -172.1 | 174.8 | -72.4 | 0 | 0 | 110.3 | K286 C287 K292 L293 | K286-M289 HydrophobicContact CB-CB 4.44Å; K286-M289 WeakPolarHBondContact O-CB 3.44Å; K286-M289 PolarHBondContact O-N 2.8Å; C287-M289 VanDerWaalsContact C-N 3.31Å; C287-M289 PolarHBondContact O-N 3.35Å; M289-K292 PolarHBondContact O-N 3.15Å; M289-L293 VanDerWaalsContact O-CB 3.26Å; M289-L293 WeakPolarHBondContact O-CB 3.03Å; M289-L293 PolarHBondContact O-N 3.35Å |
| 290 | F | 82.2 | Confident | 81.1 | Confident | 12 Ų | 12 | 80.2 Ų | 80.2 | 5% | 0.053 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 179 | -171.9 | -94.5 | 0 | 0 | 0 | 112.3 | D245 L252 I284 K286 C287 K292 L293 Y294 L298 M317 | D245-F290 HydrophobicContact CB-CE2 4.09Å; L252-F290 HydrophobicContact CD1-CD1 3.98Å; L252-F290 HydrophobicContact CD1-CE1 3.79Å; I284-F290 HydrophobicContact CG2-CD1 4.39Å; I284-F290 HydrophobicContact CG2-CG 4.47Å; K286-F290 PolarHBondContact O-N 3.42Å; K286-F290 VanDerWaalsContact O-N 3.09Å; C287-F290 WeakPolarHBondContact O-CB 3.28Å; C287-F290 PolarHBondContact O-N 3.03Å; C287-F290 VanDerWaalsContact O-N 3.15Å; F290-K292 VanDerWaalsContact C-N 3.32Å; F290-K292 PolarHBondContact O-N 2.84Å; F290-L293 PolarHBondContact O-N 2.94Å; F290-Y294 HydrophobicContact CD1-CD2 4.44Å; F290-Y294 AromaticContact CD2-CD2 3.58Å; F290-Y294 HydrophobicContact CD2-CD2 3.58Å; F290-Y294 AromaticContact CD2-CE2 3.68Å; F290-Y294 HydrophobicContact CD2-CE2 3.68Å; F290-Y294 HydrophobicContact CE1-CD2 4.42Å; F290-Y294 AromaticContact CE2-CD2 3.55Å; F290-Y294 HydrophobicContact CE2-CD2 3.55Å; F290-Y294 AromaticContact CE2-CE2 3.65Å; F290-Y294 HydrophobicContact CE2-CE2 3.65Å; F290-Y294 HydrophobicContact CG-CD2 4.04Å; F290-Y294 AromaticContact CZ-CD2 3.99Å; F290-Y294 HydrophobicContact CZ-CD2 3.99Å; F290-Y294 HydrophobicContact CZ-CE2 4.48Å; F290-Y294 WeakPolarHBondContact O-CD2 3.35Å; F290-Y294 PolarHBondContact O-N 3.35Å; F290-L298 HydrophobicContact CD1-CD1 4.46Å; F290-L298 HydrophobicContact CE1-CD1 3.95Å; F290-M317 HydrophobicContact CZ-SD 4.25Å |
| 291 | T | 83.4 | Confident | 81.3 | Confident | 19 Ų | 19 | 78.1 Ų | 78.1 | 12% | 0.117 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.9 | -31.2 | 178.8 | 57.7 | 0 | 0 | 0 | 0 | 112.3 | L252 L273 V276 C277 C287 E288 G295 | L252-T291 HydrophobicContact CD1-CG2 4.27Å; L273-T291 HydrophobicContact CD2-CG2 4.11Å; V276-T291 HydrophobicContact CG1-CG2 4.2Å; C277-T291 VanDerWaalsContact SG-CG2 3.52Å; C287-T291 PolarHBondContact O-N 3.47Å; C287-T291 PolarHBondContact O-OG1 3.25Å; E288-T291 PolarHBondContact O-OG1 3.15Å; T291-G295 WeakPolarHBondContact O-CA 3.06Å; T291-G295 PolarHBondContact O-N 3.12Å |
| 292 | K | 82.3 | Confident | 81.8 | Confident | 183 Ų | 183 | 74.3 Ų | 74.3 | 80% | 0.796 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.7 | -41.6 | 174.4 | -173.8 | 177.5 | -179.1 | -178.7 | 0 | 112.4 | E288 M289 F290 | E288-K292 WeakPolarHBondContact O-CB 3.44Å; E288-K292 PolarHBondContact O-N 3.09Å; E288-K292 VanDerWaalsContact O-N 3.16Å; M289-K292 PolarHBondContact O-N 3.15Å; F290-K292 VanDerWaalsContact C-N 3.32Å; F290-K292 PolarHBondContact O-N 2.84Å |
| 293 | L | 80.2 | Confident | 81.8 | Confident | 111 Ų | 111 | 67.4 Ų | 67.4 | 58% | 0.581 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -74.6 | -44.1 | -177.7 | -176.5 | 59.4 | 0 | 0 | 0 | 111.8 | M289 F290 | M289-L293 VanDerWaalsContact O-CB 3.26Å; M289-L293 WeakPolarHBondContact O-CB 3.03Å; M289-L293 PolarHBondContact O-N 3.35Å; F290-L293 PolarHBondContact O-N 2.94Å |
| 294 | Y | 84.4 | Confident | 81.8 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -106.1 | -1.9 | -173.1 | -57.9 | -72.3 | 0 | 0 | 0 | 115 | D245 F290 R297 L298 M317 | D245-Y294 PolarHBondContact OD2-OH 3.19Å; F290-Y294 HydrophobicContact CD1-CD2 4.44Å; F290-Y294 AromaticContact CD2-CD2 3.58Å; F290-Y294 HydrophobicContact CD2-CD2 3.58Å; F290-Y294 AromaticContact CD2-CE2 3.68Å; F290-Y294 HydrophobicContact CD2-CE2 3.68Å; F290-Y294 HydrophobicContact CE1-CD2 4.42Å; F290-Y294 AromaticContact CE2-CD2 3.55Å; F290-Y294 HydrophobicContact CE2-CD2 3.55Å; F290-Y294 AromaticContact CE2-CE2 3.65Å; F290-Y294 HydrophobicContact CE2-CE2 3.65Å; F290-Y294 HydrophobicContact CG-CD2 4.04Å; F290-Y294 AromaticContact CZ-CD2 3.99Å; F290-Y294 HydrophobicContact CZ-CD2 3.99Å; F290-Y294 HydrophobicContact CZ-CE2 4.48Å; F290-Y294 WeakPolarHBondContact O-CD2 3.35Å; F290-Y294 PolarHBondContact O-N 3.35Å; Y294-R297 PolarHBondContact O-N 2.99Å; Y294-L298 WeakPolarHBondContact O-CG 3.32Å; Y294-L298 PolarHBondContact O-N 3.3Å; Y294-M317 HydrophobicContact CD1-CE 3.78Å; Y294-M317 HydrophobicContact CD2-CE 4.44Å; Y294-M317 HydrophobicContact CG-CE 3.62Å |
| 295 | G | 84.3 | Confident | 81.7 | Confident | 9 Ų | 9 | 73 Ų | 73 | 9% | 0.093 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -47.6 | -49.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T291 R297 L298 Q299 | T291-G295 WeakPolarHBondContact O-CA 3.06Å; T291-G295 PolarHBondContact O-N 3.12Å; G295-R297 VanDerWaalsContact C-N 3.28Å; G295-R297 PolarHBondContact O-N 3.38Å; G295-L298 PolarHBondContact O-N 3.44Å; G295-Q299 VanDerWaalsContact O-CB 3.27Å; G295-Q299 WeakPolarHBondContact O-CB 3.29Å; G295-Q299 PolarHBondContact O-N 3.13Å |
| 296 | P | 85.6 | Confident | 81.5 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.4 | -30 | 179.3 | -25.1 | 35.1 | 0 | 0 | 0 | 114.6 | ||
| 297 | R | 85.4 | Confident | 81.2 | Confident | 114 Ų | 114 | 66.8 Ų | 66.8 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.2 | -46 | 175.4 | -66 | -174.7 | -177.5 | -174 | 1.4 | 110.7 | Y294 G295 Q299 K300 | Y294-R297 PolarHBondContact O-N 2.99Å; G295-R297 VanDerWaalsContact C-N 3.28Å; G295-R297 PolarHBondContact O-N 3.38Å; R297-Q299 VanDerWaalsContact C-N 3.3Å; R297-Q299 PolarHBondContact O-N 3.14Å; R297-K300 PolarHBondContact O-N 2.04Å |
| 298 | L | 87.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -37 | 178.4 | -73 | 172 | 0 | 0 | 0 | 112.7 | L252 L273 F290 Y294 G295 K300 V301 L302 M317 | L252-L298 HydrophobicContact CD1-CD1 3.73Å; L273-L298 HydrophobicContact CD1-CB 3.92Å; L273-L298 HydrophobicContact CD2-CB 4.2Å; L273-L298 HydrophobicContact CD2-CD1 4.06Å; F290-L298 HydrophobicContact CD1-CD1 4.46Å; F290-L298 HydrophobicContact CE1-CD1 3.95Å; Y294-L298 WeakPolarHBondContact O-CG 3.32Å; Y294-L298 PolarHBondContact O-N 3.3Å; G295-L298 PolarHBondContact O-N 3.44Å; L298-K300 PolarHBondContact O-N 2.86Å; L298-K300 VanDerWaalsContact O-N 3.14Å; L298-V301 HydrophobicContact CD2-CG2 4.41Å; L298-V301 PolarHBondContact O-N 2.74Å; L298-L302 HydrophobicContact CB-CD1 3.76Å; L298-L302 HydrophobicContact CB-CG 4.09Å; L298-L302 HydrophobicContact CD2-CD1 4.16Å; L298-L302 HydrophobicContact CD2-CD2 4.2Å; L298-L302 HydrophobicContact CD2-CG 4.09Å; L298-L302 HydrophobicContact CG-CD1 4.4Å; L298-L302 WeakPolarHBondContact O-CB 3.08Å; L298-L302 VanDerWaalsContact O-CG 3.29Å; L298-L302 WeakPolarHBondContact O-CG 3.4Å; L298-L302 PolarHBondContact O-N 3.41Å; L298-M317 HydrophobicContact CD1-CE 4.12Å; L298-M317 HydrophobicContact CD2-CE 3.55Å; L298-M317 HydrophobicContact CD2-SD 3.55Å; L298-M317 VanDerWaalsContact CD2-SD 3.55Å; L298-M317 HydrophobicContact CG-CE 3.59Å; L298-M317 HydrophobicContact CG-SD 4.26Å |
| 299 | Q | 87.3 | Confident | 80.4 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 23% | 0.234 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.3 | -31.6 | 178.4 | -170.2 | -179.6 | -0.4 | 0 | 0 | 112.7 | E266 L273 G295 R297 | E266-Q299 HydrophobicContact CB-CG 4.09Å; E266-Q299 HydrophobicContact CG-CG 4.48Å; E266-Q299 VanDerWaalsContact O-CG 3.26Å; E266-Q299 WeakPolarHBondContact O-CG 3.44Å; E266-Q299 PolarHBondContact O-NE2 3.11Å; L273-Q299 HydrophobicContact CD1-CB 4.33Å; G295-Q299 VanDerWaalsContact O-CB 3.27Å; G295-Q299 WeakPolarHBondContact O-CB 3.29Å; G295-Q299 PolarHBondContact O-N 3.13Å; R297-Q299 VanDerWaalsContact C-N 3.3Å; R297-Q299 PolarHBondContact O-N 3.14Å |
| 300 | K | 82.4 | Confident | 80.4 | Confident | 153 Ų | 153 | 59.3 Ų | 59.3 | 67% | 0.665 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -83.1 | -21.3 | -179.7 | -65.5 | -176.5 | 178 | -178.1 | 0 | 113.8 | R297 L298 | R297-K300 PolarHBondContact O-N 2.04Å; L298-K300 PolarHBondContact O-N 2.86Å; L298-K300 VanDerWaalsContact O-N 3.14Å |
| 301 | V | 84.9 | Confident | 80.4 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -112.3 | -32.8 | -171 | -59.2 | 0 | 0 | 0 | 0 | 113.8 | L298 G303 S304 T311 R314 A315 | L298-V301 HydrophobicContact CD2-CG2 4.41Å; L298-V301 PolarHBondContact O-N 2.74Å; V301-G303 PolarHBondContact O-N 3.2Å; V301-S304 VanDerWaalsContact O-CB 3.29Å; V301-S304 WeakPolarHBondContact O-CB 3.42Å; V301-S304 PolarHBondContact O-N 2.99Å; V301-S304 PolarHBondContact O-OG 3.1Å; V301-T311 HydrophobicContact CB-CG2 3.91Å; V301-T311 HydrophobicContact CG2-CG2 3.86Å; V301-T311 WeakPolarHBondContact O-CG2 3.37Å; V301-R314 HydrophobicContact CG1-CG 4.35Å; V301-A315 HydrophobicContact CG1-CB 4.25Å; V301-A315 HydrophobicContact CG2-CB 3.73Å |
| 302 | L | 84.6 | Confident | 80.5 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -16.9 | -172.3 | -69.9 | 179.8 | 0 | 0 | 0 | 113.8 | L252 A253 S256 T269 F272 L273 L298 T311 | L252-L302 HydrophobicContact CB-CD1 4.18Å; L252-L302 HydrophobicContact CB-CD2 4.16Å; A253-L302 HydrophobicContact CB-CD2 3.91Å; S256-L302 PolarHBondContact OG-O 2.88Å; T269-L302 HydrophobicContact CG2-CB 3.7Å; T269-L302 HydrophobicContact CG2-CD1 4.31Å; F272-L302 HydrophobicContact CE1-CD1 4.39Å; L273-L302 HydrophobicContact CD1-CD1 4.46Å; L273-L302 HydrophobicContact CD2-CD1 3.76Å; L273-L302 HydrophobicContact CG-CD1 4.27Å; L298-L302 HydrophobicContact CB-CD1 3.76Å; L298-L302 HydrophobicContact CB-CG 4.09Å; L298-L302 HydrophobicContact CD2-CD1 4.16Å; L298-L302 HydrophobicContact CD2-CD2 4.2Å; L298-L302 HydrophobicContact CD2-CG 4.09Å; L298-L302 HydrophobicContact CG-CD1 4.4Å; L298-L302 WeakPolarHBondContact O-CB 3.08Å; L298-L302 VanDerWaalsContact O-CG 3.29Å; L298-L302 WeakPolarHBondContact O-CG 3.4Å; L298-L302 PolarHBondContact O-N 3.41Å; L302-T311 HydrophobicContact CD2-CG2 4.26Å |
| 303 | G | 75.2 | Confident | 80.5 | Confident | 10 Ų | 10 | 52 Ų | 52 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N263 A264 V301 | N263-G303 CarbonylContact C-O 3.47Å; N263-G303 WeakPolarHBondContact CA-O 3.1Å; N263-G303 PolarHBondContact N-O 3.5Å; N263-G303 VanDerWaalsContact N-O 3.12Å; A264-G303 PolarHBondContact N-O 3.35Å; A264-G303 VanDerWaalsContact N-O 3.11Å; V301-G303 PolarHBondContact O-N 3.2Å |
| 304 | S | 75.2 | Confident | 80.6 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 20% | 0.203 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -75.7 | 163.2 | -175.8 | 74.7 | 0 | 0 | 0 | 0 | 113.3 | V301 M306 T311 | V301-S304 VanDerWaalsContact O-CB 3.29Å; V301-S304 WeakPolarHBondContact O-CB 3.42Å; V301-S304 PolarHBondContact O-N 2.99Å; V301-S304 PolarHBondContact O-OG 3.1Å; S304-M306 PolarHBondContact O-N 3.3Å; S304-T311 PolarHBondContact OG-OG1 3.48Å |
| 305 | Q | 75.6 | Confident | 80.5 | Confident | 135 Ų | 135 | 52.5 Ų | 52.5 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -79 | -4 | 177 | -59 | -177.2 | 36.9 | 0 | 0 | 113.7 | N263 | N263-Q305 PolarHBondContact ND2-NE2 3.02Å; N263-Q305 WeakPolarHBondContact OD1-CG 3.28Å; N263-Q305 PolarHBondContact OD1-NE2 2.89Å |
| 306 | M | 72.6 | Confident | 80.2 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 28% | 0.281 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -69.2 | 155.6 | -178.2 | -63.8 | 171.2 | 66.4 | 0 | 0 | 109.8 | R257 S304 D310 T311 R314 | R257-M306 PolarHBondContact NE-O 2.94Å; R257-M306 PolarHBondContact NH2-O 3.47Å; S304-M306 PolarHBondContact O-N 3.3Å; M306-D310 HydrophobicContact CB-CB 4.06Å; M306-D310 HydrophobicContact CE-CB 3.61Å; M306-T311 PolarHBondContact O-OG1 3.26Å; M306-R314 HydrophobicContact CE-CB 4.34Å; M306-R314 PolarHBondContact SD-NH1 2.76Å |
| 307 | D | 70.5 | Confident | 80 | Confident | 77 Ų | 77 | 54.9 Ų | 54.9 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | trans | -75.1 | 171 | 176.4 | 77.4 | -0.9 | 0 | 0 | 0 | 111.3 | R257 P309 D310 T311 | R257-D307 PolarHBondContact NH2-O 3.02Å; D307-P309 WeakPolarHBondContact OD1-CD 3.27Å; D307-D310 PolarHBondContact O-N 3.39Å; D307-D310 WeakPolarHBondContact OD1-CB 3.37Å; D307-D310 PolarHBondContact OD1-N 3.37Å; D307-T311 VanDerWaalsContact O-CB 3.24Å; D307-T311 WeakPolarHBondContact O-CB 3.46Å; D307-T311 PolarHBondContact O-N 3.2Å; D307-T311 PolarHBondContact O-OG1 3.06Å; D307-T311 VanDerWaalsContact O-OG1 3.06Å | ||
| 308 | A | 74.3 | Confident | 79.7 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113 | A253 V254 C312 | A253-A308 HydrophobicContact CB-CB 3.74Å; V254-A308 HydrophobicContact CG2-CB 4.12Å; A308-C312 WeakPolarHBondContact O-CB 3.31Å; A308-C312 PolarHBondContact O-N 3.42Å; A308-C312 PolarHBondContact O-SG 3.47Å |
| 309 | P | 71.9 | Confident | 79.2 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.6 | -55.4 | 169 | -24.7 | 34.7 | 0 | 0 | 0 | 112.8 | D307 T311 C312 E313 | D307-P309 WeakPolarHBondContact OD1-CD 3.27Å; P309-T311 VanDerWaalsContact C-N 3.34Å; P309-T311 PolarHBondContact O-N 2.94Å; P309-C312 PolarHBondContact O-N 3.26Å; P309-C312 VanDerWaalsContact O-N 3.1Å; P309-E313 WeakPolarHBondContact O-CG 3.48Å; P309-E313 PolarHBondContact O-N 3.13Å |
| 310 | D | 78.4 | Confident | 77.9 | Confident | 73 Ų | 73 | 54.4 Ų | 54.4 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | -174.2 | -67.6 | -21.4 | 0 | 0 | 0 | 112 | M306 D307 C312 E313 R314 | M306-D310 HydrophobicContact CB-CB 4.06Å; M306-D310 HydrophobicContact CE-CB 3.61Å; D307-D310 PolarHBondContact O-N 3.39Å; D307-D310 WeakPolarHBondContact OD1-CB 3.37Å; D307-D310 PolarHBondContact OD1-N 3.37Å; D310-C312 VanDerWaalsContact C-N 3.31Å; D310-C312 PolarHBondContact O-N 2.04Å; D310-E313 PolarHBondContact O-N 2.94Å; D310-R314 WeakPolarHBondContact O-CB 3.49Å; D310-R314 PolarHBondContact O-N 3.02Å |
| 311 | T | 82.5 | Confident | 76.3 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 174.7 | -74.6 | 0 | 0 | 0 | 0 | 111.9 | A253 V301 L302 S304 M306 D307 P309 R314 A315 | A253-T311 HydrophobicContact CB-CG2 4.26Å; V301-T311 HydrophobicContact CB-CG2 3.91Å; V301-T311 HydrophobicContact CG2-CG2 3.86Å; V301-T311 WeakPolarHBondContact O-CG2 3.37Å; L302-T311 HydrophobicContact CD2-CG2 4.26Å; S304-T311 PolarHBondContact OG-OG1 3.48Å; M306-T311 PolarHBondContact O-OG1 3.26Å; D307-T311 VanDerWaalsContact O-CB 3.24Å; D307-T311 WeakPolarHBondContact O-CB 3.46Å; D307-T311 PolarHBondContact O-N 3.2Å; D307-T311 PolarHBondContact O-OG1 3.06Å; D307-T311 VanDerWaalsContact O-OG1 3.06Å; P309-T311 VanDerWaalsContact C-N 3.34Å; P309-T311 PolarHBondContact O-N 2.94Å; T311-R314 PolarHBondContact O-N 3.39Å; T311-A315 PolarHBondContact O-N 3.23Å; T311-A315 VanDerWaalsContact O-N 3.12Å |
| 312 | C | 84.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -82.9 | -26.6 | -176.5 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | C249 R250 A308 P309 D310 A315 D316 M317 C318 | C249-C312 HydrophobicContact CB-CB 3.8Å; C249-C312 WeakPolarHBondContact CB-SG 3.44Å; C249-C312 PolarHBondContact O-SG 3.38Å; C249-C312 VanDerWaalsContact O-SG 3.39Å; C249-C312 WeakPolarHBondContact SG-CA 3.38Å; C249-C312 WeakPolarHBondContact SG-CB 3.39Å; C249-C312 CovalentContact SG-SG 2.04Å; C249-C312 PolarHBondContact SG-SG 3.17Å; R250-C312 PolarHBondContact N-SG 2.81Å; R250-C312 VanDerWaalsContact N-SG 3.37Å; A308-C312 WeakPolarHBondContact O-CB 3.31Å; A308-C312 PolarHBondContact O-N 3.42Å; A308-C312 PolarHBondContact O-SG 3.47Å; P309-C312 PolarHBondContact O-N 3.26Å; P309-C312 VanDerWaalsContact O-N 3.1Å; D310-C312 VanDerWaalsContact C-N 3.31Å; D310-C312 PolarHBondContact O-N 2.04Å; C312-A315 PolarHBondContact O-N 3.28Å; C312-D316 PolarHBondContact O-N 3.47Å; C312-M317 PolarHBondContact O-N 3.27Å; C312-C318 HydrophobicContact CB-CB 4.12Å; C312-C318 WeakPolarHBondContact CB-SG 3.28Å; C312-C318 PolarHBondContact O-N 3.16Å |
| 313 | E | 83.8 | Confident | 72.2 | Confident | 58 Ų | 58 | 68.9 Ų | 68.9 | 27% | 0.271 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 165.4 | -71.6 | 176.9 | -164.4 | 0 | 0 | 110.8 | P309 D310 A315 D316 C318 A320 | P309-E313 WeakPolarHBondContact O-CG 3.48Å; P309-E313 PolarHBondContact O-N 3.13Å; D310-E313 PolarHBondContact O-N 2.94Å; E313-A315 PolarHBondContact O-N 3.16Å; E313-D316 WeakPolarHBondContact O-CA 3.02Å; E313-D316 PolarHBondContact O-N 2.94Å; E313-C318 WeakPolarHBondContact CA-O 3.47Å; E313-C318 HydrophobicContact CG-CB 3.92Å; E313-A320 VanDerWaalsContact CD-CA 3.43Å; E313-A320 HydrophobicContact CG-CB 4.33Å; E313-A320 WeakPolarHBondContact OE1-CA 3.05Å; E313-A320 VanDerWaalsContact OE2-CB 3.28Å; E313-A320 WeakPolarHBondContact OE2-CB 3.18Å |
| 314 | R | 81.3 | Confident | 70.5 | Confident | 172 Ų | 172 | 76.8 Ų | 76.8 | 65% | 0.649 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.7 | -21.6 | 176.8 | -170.6 | 166.8 | -176.4 | 173.3 | 1.5 | 113.9 | V301 M306 D310 T311 D316 | V301-R314 HydrophobicContact CG1-CG 4.35Å; M306-R314 HydrophobicContact CE-CB 4.34Å; M306-R314 PolarHBondContact SD-NH1 2.76Å; D310-R314 WeakPolarHBondContact O-CB 3.49Å; D310-R314 PolarHBondContact O-N 3.02Å; T311-R314 PolarHBondContact O-N 3.39Å; R314-D316 VanDerWaalsContact C-N 3.26Å |
| 315 | A | 82.1 | Confident | 68.8 | Low | 5 Ų | 5 | 82.6 Ų | 82.6 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V301 T311 C312 E313 M317 | V301-A315 HydrophobicContact CG1-CB 4.25Å; V301-A315 HydrophobicContact CG2-CB 3.73Å; T311-A315 PolarHBondContact O-N 3.23Å; T311-A315 VanDerWaalsContact O-N 3.12Å; C312-A315 PolarHBondContact O-N 3.28Å; E313-A315 PolarHBondContact O-N 3.16Å; A315-M317 HydrophobicContact CB-CB 4.47Å; A315-M317 HydrophobicContact CB-CE 4.34Å; A315-M317 HydrophobicContact CB-CG 3.92Å; A315-M317 HydrophobicContact CB-SD 3.99Å; A315-M317 PolarHBondContact O-N 3.46Å |
| 316 | D | 78.4 | Confident | 67.2 | Low | 136 Ų | 136 | 80.7 Ų | 80.7 | 73% | 0.727 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 29.5 | -172.5 | -54 | -50.9 | 0 | 0 | 0 | 112.9 | C312 E313 R314 | C312-D316 PolarHBondContact O-N 3.47Å; E313-D316 WeakPolarHBondContact O-CA 3.02Å; E313-D316 PolarHBondContact O-N 2.94Å; R314-D316 VanDerWaalsContact C-N 3.26Å |
| 317 | M | 81.7 | Confident | 66 | Low | 9 Ų | 9 | 84.4 Ų | 84.4 | 4% | 0.044 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -103.1 | -25.7 | -179.6 | -65.4 | -180 | 175.5 | 0 | 0 | 112.9 | C246 C249 F290 Y294 L298 C312 A315 | C246-M317 WeakPolarHBondContact CA-O 3.36Å; C246-M317 VanDerWaalsContact CB-O 3.27Å; C246-M317 WeakPolarHBondContact CB-O 3.06Å; C246-M317 PolarHBondContact N-O 3.33Å; C249-M317 HydrophobicContact CB-CB 3.94Å; C249-M317 HydrophobicContact CB-CG 4.39Å; C249-M317 HydrophobicContact CB-SD 3.46Å; C249-M317 WeakPolarHBondContact CB-SD 3.31Å; C249-M317 PolarHBondContact SG-SD 3.44Å; F290-M317 HydrophobicContact CZ-SD 4.25Å; Y294-M317 HydrophobicContact CD1-CE 3.78Å; Y294-M317 HydrophobicContact CD2-CE 4.44Å; Y294-M317 HydrophobicContact CG-CE 3.62Å; L298-M317 HydrophobicContact CD1-CE 4.12Å; L298-M317 HydrophobicContact CD2-CE 3.55Å; L298-M317 HydrophobicContact CD2-SD 3.55Å; L298-M317 VanDerWaalsContact CD2-SD 3.55Å; L298-M317 HydrophobicContact CG-CE 3.59Å; L298-M317 HydrophobicContact CG-SD 4.26Å; C312-M317 PolarHBondContact O-N 3.27Å; A315-M317 HydrophobicContact CB-CB 4.47Å; A315-M317 HydrophobicContact CB-CE 4.34Å; A315-M317 HydrophobicContact CB-CG 3.92Å; A315-M317 HydrophobicContact CB-SD 3.99Å; A315-M317 PolarHBondContact O-N 3.46Å |
| 318 | C | 79.8 | Confident | 65.2 | Low | 6 Ų | 6 | 82.7 Ų | 82.7 | 4% | 0.041 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -114.8 | 138.6 | 170.7 | -66.4 | 0 | 0 | 0 | 0 | 108.9 | C246 C312 E313 | C246-C318 WeakPolarHBondContact CA-SG 3.43Å; C246-C318 HydrophobicContact CB-CB 4.06Å; C246-C318 WeakPolarHBondContact CB-SG 3.45Å; C246-C318 WeakPolarHBondContact SG-CB 3.34Å; C246-C318 CovalentContact SG-SG 2.04Å; C246-C318 PolarHBondContact SG-SG 3.46Å; C312-C318 HydrophobicContact CB-CB 4.12Å; C312-C318 WeakPolarHBondContact CB-SG 3.28Å; C312-C318 PolarHBondContact O-N 3.16Å; E313-C318 WeakPolarHBondContact CA-O 3.47Å; E313-C318 HydrophobicContact CG-CB 3.92Å |
| 319 | V | 75.9 | Confident | 64.5 | Low | 96 Ų | 96 | 91.7 Ų | 91.7 | 58% | 0.582 | 47% | 0.467 | S | S | * | . | trans | -78.1 | 127.1 | 165.4 | 168.5 | 0 | 0 | 0 | 0 | 107.2 | P241 V321 | P241-V319 HydrophobicContact CG-CB 4.37Å; P241-V319 HydrophobicContact CG-CG2 3.38Å; V319-V321 PolarHBondContact O-N 3.42Å | ||
| 320 | A | 59.3 | Low | 64.5 | Low | 52 Ų | 52 | 93.8 Ų | 93.8 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | trans | -53.5 | 112.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | E313 K322 | E313-A320 VanDerWaalsContact CD-CA 3.43Å; E313-A320 HydrophobicContact CG-CB 4.33Å; E313-A320 WeakPolarHBondContact OE1-CA 3.05Å; E313-A320 VanDerWaalsContact OE2-CB 3.28Å; E313-A320 WeakPolarHBondContact OE2-CB 3.18Å; A320-K322 PolarHBondContact O-N 3.37Å | ||
| 321 | V | 49.6 | Very low | 64.4 | Low | 119 Ų | 119 | 95.1 Ų | 95.1 | 72% | 0.721 | 48% | 0.48 | S | S | * | . | trans | -70.8 | 77.2 | 170.2 | -173.2 | 0 | 0 | 0 | 0 | 105.8 | V319 E323 | V319-V321 PolarHBondContact O-N 3.42Å; V321-E323 VanDerWaalsContact C-N 3.3Å; V321-E323 PolarHBondContact O-N 2.94Å | ||
| 322 | K | 44.8 | Very low | 64.4 | Low | 185 Ų | 185 | 96.8 Ų | 96.8 | 80% | 0.804 | 49% | 0.491 | S | S | * | . | trans | -57.2 | 111.2 | 147.1 | -108 | 179.2 | 177.3 | 174.7 | 0 | 103.1 | A320 Q324 | A320-K322 PolarHBondContact O-N 3.37Å; K322-Q324 VanDerWaalsContact C-N 3.34Å; K322-Q324 PolarHBondContact O-N 3.3Å | ||
| 323 | E | 38.7 | Very low | 64.1 | Low | 171 Ų | 171 | 100.2 Ų | 100.2 | 80% | 0.799 | 51% | 0.512 | S | S | * | . | trans | -40.6 | 109 | 169.1 | -72.4 | -170.2 | 159.2 | 0 | 0 | 106.6 | V321 H325 | V321-E323 VanDerWaalsContact C-N 3.3Å; V321-E323 PolarHBondContact O-N 2.94Å; E323-H325 PolarHBondContact O-N 2.82Å | ||
| 324 | Q | 39.9 | Very low | 63.5 | Low | 176 Ų | 176 | 101 Ų | 101 | 82% | 0.822 | 51% | 0.513 | S | S | * | . | trans | -59.6 | 105.4 | 168.9 | -78.7 | -179.8 | -22.6 | 0 | 0 | 103.2 | K322 L326 | K322-Q324 VanDerWaalsContact C-N 3.34Å; K322-Q324 PolarHBondContact O-N 3.3Å; Q324-L326 VanDerWaalsContact C-N 3.26Å; Q324-L326 PolarHBondContact O-N 2.95Å | ||
| 325 | H | 39.6 | Very low | 63.2 | Low | 151 Ų | 151 | 93.7 Ų | 93.7 | 70% | 0.699 | 49% | 0.491 | S | S | * | . | trans | -60.6 | 100.8 | 178.6 | -159.5 | 50 | 0 | 0 | 0 | 105.5 | E323 L327 | E323-H325 PolarHBondContact O-N 2.82Å; H325-L327 PolarHBondContact O-N 2.98Å | ||
| 326 | L | 42.3 | Very low | 63.1 | Low | 95 Ų | 95 | 96.2 Ų | 96.2 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | trans | -49.5 | 137 | -179.4 | -66.1 | 167.8 | 0 | 0 | 0 | 108 | Q324 G328 W334 | Q324-L326 VanDerWaalsContact C-N 3.26Å; Q324-L326 PolarHBondContact O-N 2.95Å; L326-G328 PolarHBondContact O-N 3.02Å; L326-W334 HydrophobicContact CB-CD2 3.85Å; L326-W334 HydrophobicContact CB-CE3 4.5Å; L326-W334 HydrophobicContact CB-CG 3.97Å; L326-W334 HydrophobicContact CB-CZ2 4.21Å; L326-W334 HydrophobicContact CD1-CD2 3.9Å; L326-W334 HydrophobicContact CD1-CE3 3.67Å; L326-W334 HydrophobicContact CD1-CH2 3.92Å; L326-W334 HydrophobicContact CD1-CZ2 4.15Å; L326-W334 HydrophobicContact CD1-CZ3 3.68Å; L326-W334 HydrophobicContact CG-CD2 4.5Å | ||
| 327 | L | 46.4 | Very low | 63 | Low | 135 Ų | 135 | 94.5 Ų | 94.5 | 71% | 0.707 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -39.2 | 95 | -173.7 | -71.3 | 156.9 | 0 | 0 | 0 | 112.8 | H325 T333 W334 | H325-L327 PolarHBondContact O-N 2.98Å; L327-T333 CarbonylContact O-C 3.46Å; L327-T333 PolarHBondContact O-OG1 3.32Å; L327-W334 VanDerWaalsContact O-CD1 3.22Å |
| 328 | G | 53.8 | Low | 63 | Low | 40 Ų | 40 | 96.1 Ų | 96.1 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | S | Bend | trans | 81.2 | 149.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L326 N330 W334 | L326-G328 PolarHBondContact O-N 3.02Å; G328-N330 PolarHBondContact O-N 3.49Å; G328-W334 PolarHBondContact O-NE1 3.19Å |
| 329 | K | 59.9 | Low | 63.4 | Low | 198 Ų | 198 | 96.4 Ų | 96.4 | 86% | 0.861 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -59.2 | -16.8 | 174.8 | -73.5 | -179 | 177.6 | 178.1 | 0 | 113.8 | ||
| 330 | N | 72.3 | Confident | 64.2 | Low | 91 Ų | 91 | 92.1 Ų | 92.1 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -90.9 | 121 | 179.7 | -172.9 | -12.5 | 0 | 0 | 0 | 110 | G328 C332 T333 W334 | G328-N330 PolarHBondContact O-N 3.49Å; N330-C332 PolarHBondContact O-N 3.38Å; N330-C332 VanDerWaalsContact O-N 3.11Å; N330-C332 WeakPolarHBondContact OD1-CB 3.46Å; N330-C332 PolarHBondContact OD1-N 2.6Å; N330-T333 HydrophobicContact CB-CG2 4.25Å; N330-T333 PolarHBondContact O-N 3.45Å; N330-T333 PolarHBondContact O-OG1 3.12Å; N330-W334 VanDerWaalsContact O-CD1 3.25Å; N330-W334 PolarHBondContact O-NE1 3.45Å |
| 331 | Q | 75.1 | Confident | 65.6 | Low | 101 Ų | 101 | 96.8 Ų | 96.8 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -58.8 | -26.4 | 177.9 | -65.3 | -179.8 | -14.3 | 0 | 0 | 112.7 | T333 W334 Y338 | Q331-T333 PolarHBondContact O-N 3.43Å; Q331-W334 HydrophobicContact CB-CD2 4.35Å; Q331-W334 HydrophobicContact CB-CE3 4.38Å; Q331-W334 HydrophobicContact CG-CD2 4.41Å; Q331-W334 HydrophobicContact CG-CE3 4.32Å; Q331-W334 HydrophobicContact CG-CH2 3.72Å; Q331-W334 HydrophobicContact CG-CZ2 3.78Å; Q331-W334 HydrophobicContact CG-CZ3 3.99Å; Q331-W334 WeakPolarHBondContact O-CB 3.43Å; Q331-W334 PolarHBondContact O-N 3.16Å; Q331-Y338 HydrophobicContact CB-CE1 3.62Å; Q331-Y338 WeakPolarHBondContact O-CD1 3.37Å; Q331-Y338 VanDerWaalsContact O-CE1 3.31Å; Q331-Y338 WeakPolarHBondContact O-CE1 3.42Å; Q331-Y338 PolarHBondContact OE1-OH 3.4Å; Q331-Y338 VanDerWaalsContact OE1-OH 3.04Å |
| 332 | C | 82.1 | Confident | 67.5 | Low | 37 Ų | 37 | 93.5 Ų | 93.5 | 25% | 0.25 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -76.9 | -1.5 | 176.4 | -58.3 | 0 | 0 | 0 | 0 | 114.5 | N330 I339 C349 | N330-C332 PolarHBondContact O-N 3.38Å; N330-C332 VanDerWaalsContact O-N 3.11Å; N330-C332 WeakPolarHBondContact OD1-CB 3.46Å; N330-C332 PolarHBondContact OD1-N 2.6Å; C332-I339 WeakPolarHBondContact O-CD1 2.97Å; C332-C349 WeakPolarHBondContact CA-SG 3.36Å; C332-C349 HydrophobicContact CB-CB 3.59Å; C332-C349 WeakPolarHBondContact CB-SG 3.4Å; C332-C349 WeakPolarHBondContact SG-CA 3.33Å; C332-C349 WeakPolarHBondContact SG-CB 3.24Å; C332-C349 CovalentContact SG-SG 2.04Å; C332-C349 PolarHBondContact SG-SG 3.46Å |
| 333 | T | 78.6 | Confident | 69.8 | Low | 72 Ų | 72 | 88.9 Ų | 88.9 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -105.9 | 4.1 | 172.9 | 58.6 | 0 | 0 | 0 | 0 | 113 | L327 N330 Q331 G335 | L327-T333 CarbonylContact O-C 3.46Å; L327-T333 PolarHBondContact O-OG1 3.32Å; N330-T333 HydrophobicContact CB-CG2 4.25Å; N330-T333 PolarHBondContact O-N 3.45Å; N330-T333 PolarHBondContact O-OG1 3.12Å; Q331-T333 PolarHBondContact O-N 3.43Å; T333-G335 PolarHBondContact O-N 2.86Å; T333-G335 VanDerWaalsContact O-N 3.17Å |
| 334 | W | 71.9 | Confident | 72.3 | Confident | 73 Ų | 73 | 89 Ų | 89 | 28% | 0.277 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -76.6 | 3.9 | -179.9 | -63.6 | -0.1 | 0 | 0 | 0 | 113.8 | L326 L327 G328 N330 Q331 Y338 | L326-W334 HydrophobicContact CB-CD2 3.85Å; L326-W334 HydrophobicContact CB-CE3 4.5Å; L326-W334 HydrophobicContact CB-CG 3.97Å; L326-W334 HydrophobicContact CB-CZ2 4.21Å; L326-W334 HydrophobicContact CD1-CD2 3.9Å; L326-W334 HydrophobicContact CD1-CE3 3.67Å; L326-W334 HydrophobicContact CD1-CH2 3.92Å; L326-W334 HydrophobicContact CD1-CZ2 4.15Å; L326-W334 HydrophobicContact CD1-CZ3 3.68Å; L326-W334 HydrophobicContact CG-CD2 4.5Å; L327-W334 VanDerWaalsContact O-CD1 3.22Å; G328-W334 PolarHBondContact O-NE1 3.19Å; N330-W334 VanDerWaalsContact O-CD1 3.25Å; N330-W334 PolarHBondContact O-NE1 3.45Å; Q331-W334 HydrophobicContact CB-CD2 4.35Å; Q331-W334 HydrophobicContact CB-CE3 4.38Å; Q331-W334 HydrophobicContact CG-CD2 4.41Å; Q331-W334 HydrophobicContact CG-CE3 4.32Å; Q331-W334 HydrophobicContact CG-CH2 3.72Å; Q331-W334 HydrophobicContact CG-CZ2 3.78Å; Q331-W334 HydrophobicContact CG-CZ3 3.99Å; Q331-W334 WeakPolarHBondContact O-CB 3.43Å; Q331-W334 PolarHBondContact O-N 3.16Å; W334-Y338 HydrophobicContact CB-CD1 4.33Å; W334-Y338 HydrophobicContact CB-CG 4.08Å; W334-Y338 HydrophobicContact CE3-CD1 4.33Å; W334-Y338 AromaticContact CE3-CD2 3.6Å; W334-Y338 HydrophobicContact CE3-CD2 3.6Å; W334-Y338 HydrophobicContact CE3-CE1 4.37Å; W334-Y338 AromaticContact CE3-CE2 3.6Å; W334-Y338 HydrophobicContact CE3-CE2 3.6Å; W334-Y338 AromaticContact CE3-CG 3.97Å; W334-Y338 HydrophobicContact CE3-CG 3.97Å; W334-Y338 HydrophobicContact CZ3-CD2 4.2Å; W334-Y338 AromaticContact CZ3-CE2 3.78Å; W334-Y338 HydrophobicContact CZ3-CE2 3.78Å |
| 335 | G | 74.1 | Confident | 74.6 | Confident | 19 Ų | 19 | 81.6 Ų | 81.6 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | trans | 93.3 | 171.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T333 S337 Y338 I339 | T333-G335 PolarHBondContact O-N 2.86Å; T333-G335 VanDerWaalsContact O-N 3.17Å; G335-S337 VanDerWaalsContact C-N 3.26Å; G335-S337 PolarHBondContact O-N 2.91Å; G335-Y338 PolarHBondContact O-N 3.07Å; G335-Y338 VanDerWaalsContact O-N 3.09Å; G335-I339 WeakPolarHBondContact O-CD1 3.43Å; G335-I339 VanDerWaalsContact O-CG1 3.24Å; G335-I339 WeakPolarHBondContact O-CG1 3.38Å; G335-I339 PolarHBondContact O-N 2.82Å | ||
| 336 | P | 80.3 | Confident | 77.1 | Confident | 59 Ų | 59 | 74.4 Ų | 74.4 | 38% | 0.383 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.9 | -35.1 | -172.8 | -29.1 | 37.3 | 0 | 0 | 0 | 114.3 | Y338 I339 C340 F354 M359 | P336-Y338 VanDerWaalsContact C-N 3.29Å; P336-Y338 PolarHBondContact O-N 3.25Å; P336-I339 PolarHBondContact O-N 3.05Å; P336-C340 WeakPolarHBondContact O-CA 3.46Å; P336-C340 WeakPolarHBondContact O-CB 3.47Å; P336-C340 PolarHBondContact O-N 3.14Å; P336-F354 HydrophobicContact CB-CE1 3.95Å; P336-F354 HydrophobicContact CB-CZ 4.22Å; P336-F354 HydrophobicContact CG-CE1 4.11Å; P336-F354 HydrophobicContact CG-CZ 4Å; P336-M359 HydrophobicContact CB-CE 4.47Å; P336-M359 HydrophobicContact CB-SD 4.49Å |
| 337 | S | 77.1 | Confident | 79.5 | Confident | 99 Ų | 99 | 75.6 Ų | 75.6 | 69% | 0.692 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.3 | -33.4 | 179.9 | -50 | 0 | 0 | 0 | 0 | 113 | G335 | G335-S337 VanDerWaalsContact C-N 3.26Å; G335-S337 PolarHBondContact O-N 2.91Å |
| 338 | Y | 81.6 | Confident | 81.5 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 17% | 0.169 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -84.8 | -49.7 | 174.2 | -179.1 | -88 | 0 | 0 | 0 | 111.2 | Q331 W334 G335 P336 C340 R341 T345 | Q331-Y338 HydrophobicContact CB-CE1 3.62Å; Q331-Y338 WeakPolarHBondContact O-CD1 3.37Å; Q331-Y338 VanDerWaalsContact O-CE1 3.31Å; Q331-Y338 WeakPolarHBondContact O-CE1 3.42Å; Q331-Y338 PolarHBondContact OE1-OH 3.4Å; Q331-Y338 VanDerWaalsContact OE1-OH 3.04Å; W334-Y338 HydrophobicContact CB-CD1 4.33Å; W334-Y338 HydrophobicContact CB-CG 4.08Å; W334-Y338 HydrophobicContact CE3-CD1 4.33Å; W334-Y338 AromaticContact CE3-CD2 3.6Å; W334-Y338 HydrophobicContact CE3-CD2 3.6Å; W334-Y338 HydrophobicContact CE3-CE1 4.37Å; W334-Y338 AromaticContact CE3-CE2 3.6Å; W334-Y338 HydrophobicContact CE3-CE2 3.6Å; W334-Y338 AromaticContact CE3-CG 3.97Å; W334-Y338 HydrophobicContact CE3-CG 3.97Å; W334-Y338 HydrophobicContact CZ3-CD2 4.2Å; W334-Y338 AromaticContact CZ3-CE2 3.78Å; W334-Y338 HydrophobicContact CZ3-CE2 3.78Å; G335-Y338 PolarHBondContact O-N 3.07Å; G335-Y338 VanDerWaalsContact O-N 3.09Å; P336-Y338 VanDerWaalsContact C-N 3.29Å; P336-Y338 PolarHBondContact O-N 3.25Å; Y338-C340 VanDerWaalsContact C-N 3.28Å; Y338-C340 PolarHBondContact O-N 3.27Å; Y338-R341 VanDerWaalsContact O-CB 3.27Å; Y338-R341 WeakPolarHBondContact O-CB 3.03Å; Y338-R341 PolarHBondContact O-N 2.94Å; Y338-R341 VanDerWaalsContact O-N 3.14Å; Y338-T345 HydrophobicContact CD1-CG2 3.97Å; Y338-T345 HydrophobicContact CE1-CG2 3.56Å; Y338-T345 WeakPolarHBondContact O-CG2 3.26Å |
| 339 | I | 88.6 | Confident | 83.2 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 6% | 0.062 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.4 | -40.3 | -175.8 | -63.3 | 164.1 | 0 | 0 | 0 | 111.2 | C332 G335 P336 A346 C349 M351 | C332-I339 WeakPolarHBondContact O-CD1 2.97Å; G335-I339 WeakPolarHBondContact O-CD1 3.43Å; G335-I339 VanDerWaalsContact O-CG1 3.24Å; G335-I339 WeakPolarHBondContact O-CG1 3.38Å; G335-I339 PolarHBondContact O-N 2.82Å; P336-I339 PolarHBondContact O-N 3.05Å; I339-A346 VanDerWaalsContact O-CA 3.3Å; I339-A346 WeakPolarHBondContact O-CA 3.1Å; I339-A346 WeakPolarHBondContact O-CB 3.49Å; I339-A346 PolarHBondContact O-N 3.39Å; I339-C349 HydrophobicContact CG2-CB 4.08Å; I339-M351 HydrophobicContact CG2-CB 3.35Å; I339-M351 HydrophobicContact CG2-CG 3.73Å |
| 340 | C | 91.9 | Very high | 84.7 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 19.7 | -179.3 | -54.7 | 0 | 0 | 0 | 0 | 113.5 | P336 Y338 D342 C355 M359 W360 | P336-C340 WeakPolarHBondContact O-CA 3.46Å; P336-C340 WeakPolarHBondContact O-CB 3.47Å; P336-C340 PolarHBondContact O-N 3.14Å; Y338-C340 VanDerWaalsContact C-N 3.28Å; Y338-C340 PolarHBondContact O-N 3.27Å; C340-D342 VanDerWaalsContact C-N 3.31Å; C340-D342 PolarHBondContact O-N 3.23Å; C340-C355 WeakPolarHBondContact CA-SG 3.42Å; C340-C355 HydrophobicContact CB-CB 3.61Å; C340-C355 WeakPolarHBondContact CB-SG 3.04Å; C340-C355 WeakPolarHBondContact SG-CA 3.46Å; C340-C355 WeakPolarHBondContact SG-CB 3.34Å; C340-C355 CovalentContact SG-SG 2.03Å; C340-C355 PolarHBondContact SG-SG 3.37Å; C340-M359 HydrophobicContact CB-CB 3.88Å; C340-M359 HydrophobicContact CB-CG 3.94Å; C340-W360 HydrophobicContact CB-CZ2 4.36Å; C340-W360 VanDerWaalsContact O-CE2 3.31Å; C340-W360 WeakPolarHBondContact O-CZ2 3.24Å; C340-W360 PolarHBondContact O-NE1 2.82Å |
| 341 | R | 88.6 | Confident | 85.7 | Confident | 150 Ų | 150 | 64.3 Ų | 64.3 | 57% | 0.566 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -64.2 | -39.2 | 175.5 | -176.1 | -176 | 65.4 | -161.1 | -9.1 | 112 | Y338 T345 | Y338-R341 VanDerWaalsContact O-CB 3.27Å; Y338-R341 WeakPolarHBondContact O-CB 3.03Å; Y338-R341 PolarHBondContact O-N 2.94Å; Y338-R341 VanDerWaalsContact O-N 3.14Å; R341-T345 PolarHBondContact NH2-OG1 3.36Å |
| 342 | D | 90.8 | Very high | 86.5 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | trans | -157.3 | 159.3 | -177.9 | 60 | 81.3 | 0 | 0 | 0 | 111.5 | C340 K344 T345 A346 | C340-D342 VanDerWaalsContact C-N 3.31Å; C340-D342 PolarHBondContact O-N 3.23Å; D342-K344 PolarHBondContact O-N 2.98Å; D342-K344 WeakPolarHBondContact OD1-CB 3.47Å; D342-K344 PolarHBondContact OD1-N 2.89Å; D342-T345 PolarHBondContact O-N 3.03Å; D342-T345 WeakPolarHBondContact OD1-CB 3.48Å; D342-T345 PolarHBondContact OD1-N 2.79Å; D342-T345 PolarHBondContact OD1-OG1 3.28Å; D342-T345 PolarHBondContact OD2-OG1 2.94Å; D342-A346 PolarHBondContact O-N 3Å | ||
| 343 | L | 91.6 | Very high | 86.9 | Confident | 88 Ų | 88 | 64.5 Ų | 64.5 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58 | -36.8 | -177.6 | -174.1 | 63.9 | 0 | 0 | 0 | 112.8 | A346 Q347 V352 W360 | L343-A346 PolarHBondContact O-N 3.35Å; L343-Q347 HydrophobicContact CD1-CG 4.35Å; L343-Q347 HydrophobicContact CG-CG 4.38Å; L343-Q347 VanDerWaalsContact O-CB 3.28Å; L343-Q347 WeakPolarHBondContact O-CB 3.05Å; L343-Q347 WeakPolarHBondContact O-CG 3.16Å; L343-Q347 PolarHBondContact O-N 3.11Å; L343-V352 HydrophobicContact CD1-CG1 3.96Å; L343-V352 HydrophobicContact CD1-CG2 4.39Å; L343-W360 HydrophobicContact CB-CH2 4.32Å; L343-W360 HydrophobicContact CD1-CH2 4.25Å; L343-W360 HydrophobicContact CD1-CZ3 3.91Å |
| 344 | K | 92.3 | Very high | 87.4 | Confident | 174 Ų | 174 | 64.4 Ų | 64.4 | 76% | 0.757 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.2 | -41.2 | -178.3 | -173.5 | -178.7 | 179.9 | -178 | 0 | 111.1 | D342 G348 | D342-K344 PolarHBondContact O-N 2.98Å; D342-K344 WeakPolarHBondContact OD1-CB 3.47Å; D342-K344 PolarHBondContact OD1-N 2.89Å; K344-G348 PolarHBondContact O-N 3.41Å |
| 345 | T | 87.9 | Confident | 88.4 | Confident | 19 Ų | 19 | 61 Ų | 61 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 176.4 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | Y338 R341 D342 Q347 G348 C349 | Y338-T345 HydrophobicContact CD1-CG2 3.97Å; Y338-T345 HydrophobicContact CE1-CG2 3.56Å; Y338-T345 WeakPolarHBondContact O-CG2 3.26Å; R341-T345 PolarHBondContact NH2-OG1 3.36Å; D342-T345 PolarHBondContact O-N 3.03Å; D342-T345 WeakPolarHBondContact OD1-CB 3.48Å; D342-T345 PolarHBondContact OD1-N 2.79Å; D342-T345 PolarHBondContact OD1-OG1 3.28Å; D342-T345 PolarHBondContact OD2-OG1 2.94Å; T345-Q347 VanDerWaalsContact C-N 3.35Å; T345-Q347 PolarHBondContact O-N 3.24Å; T345-G348 PolarHBondContact O-N 3.01Å; T345-C349 WeakPolarHBondContact O-CB 3.36Å; T345-C349 PolarHBondContact O-N 2.89Å; T345-C349 PolarHBondContact O-SG 2.78Å; T345-C349 VanDerWaalsContact O-SG 3.38Å |
| 346 | A | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I339 D342 L343 C349 G350 M351 V352 C355 W360 | I339-A346 VanDerWaalsContact O-CA 3.3Å; I339-A346 WeakPolarHBondContact O-CA 3.1Å; I339-A346 WeakPolarHBondContact O-CB 3.49Å; I339-A346 PolarHBondContact O-N 3.39Å; D342-A346 PolarHBondContact O-N 3Å; L343-A346 PolarHBondContact O-N 3.35Å; A346-C349 CarbonylContact O-C 3.54Å; A346-C349 PolarHBondContact O-N 3.22Å; A346-G350 PolarHBondContact O-N 3.12Å; A346-M351 PolarHBondContact O-N 3.49Å; A346-V352 HydrophobicContact CB-CG2 4.09Å; A346-C355 HydrophobicContact CB-CB 4.39Å; A346-W360 HydrophobicContact CB-CH2 3.6Å; A346-W360 HydrophobicContact CB-CZ2 4.37Å; A346-W360 HydrophobicContact CB-CZ3 4.37Å |
| 347 | Q | 93.3 | Very high | 89.5 | Confident | 120 Ų | 120 | 69.1 Ų | 69.1 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.4 | -45.8 | 172.8 | -78.4 | 175.2 | -12.9 | 0 | 0 | 111.6 | L343 T345 C349 G350 V352 | L343-Q347 HydrophobicContact CD1-CG 4.35Å; L343-Q347 HydrophobicContact CG-CG 4.38Å; L343-Q347 VanDerWaalsContact O-CB 3.28Å; L343-Q347 WeakPolarHBondContact O-CB 3.05Å; L343-Q347 WeakPolarHBondContact O-CG 3.16Å; L343-Q347 PolarHBondContact O-N 3.11Å; T345-Q347 VanDerWaalsContact C-N 3.35Å; T345-Q347 PolarHBondContact O-N 3.24Å; Q347-C349 PolarHBondContact O-N 3.26Å; Q347-G350 PolarHBondContact O-N 3.11Å; Q347-G350 VanDerWaalsContact O-N 3.15Å; Q347-V352 HydrophobicContact CB-CG2 4.2Å; Q347-V352 HydrophobicContact CG-CG2 3.48Å; Q347-V352 VanDerWaalsContact CG-CG2 3.48Å |
| 348 | G | 87.5 | Confident | 89.7 | Confident | 67 Ų | 67 | 68.7 Ų | 68.7 | 69% | 0.691 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.5 | -28.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K344 T345 | K344-G348 PolarHBondContact O-N 3.41Å; T345-G348 PolarHBondContact O-N 3.01Å |
| 349 | C | 89.9 | Confident | 89.7 | Confident | 27 Ų | 27 | 71 Ų | 71 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -2.6 | 177.6 | -64 | 0 | 0 | 0 | 0 | 114.9 | C332 I339 T345 A346 Q347 M351 | C332-C349 WeakPolarHBondContact CA-SG 3.36Å; C332-C349 HydrophobicContact CB-CB 3.59Å; C332-C349 WeakPolarHBondContact CB-SG 3.4Å; C332-C349 WeakPolarHBondContact SG-CA 3.33Å; C332-C349 WeakPolarHBondContact SG-CB 3.24Å; C332-C349 CovalentContact SG-SG 2.04Å; C332-C349 PolarHBondContact SG-SG 3.46Å; I339-C349 HydrophobicContact CG2-CB 4.08Å; T345-C349 WeakPolarHBondContact O-CB 3.36Å; T345-C349 PolarHBondContact O-N 2.89Å; T345-C349 PolarHBondContact O-SG 2.78Å; T345-C349 VanDerWaalsContact O-SG 3.38Å; A346-C349 CarbonylContact O-C 3.54Å; A346-C349 PolarHBondContact O-N 3.22Å; Q347-C349 PolarHBondContact O-N 3.26Å; C349-M351 VanDerWaalsContact C-N 3.3Å; C349-M351 HydrophobicContact CB-CG 4.36Å; C349-M351 WeakPolarHBondContact O-CG 3.5Å; C349-M351 PolarHBondContact O-N 3.23Å |
| 350 | G | 91.5 | Very high | 89.5 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 69% | 0.691 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 23.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A346 Q347 | A346-G350 PolarHBondContact O-N 3.12Å; Q347-G350 PolarHBondContact O-N 3.11Å; Q347-G350 VanDerWaalsContact O-N 3.15Å |
| 351 | M | 93.2 | Very high | 87.9 | Confident | 67 Ų | 67 | 83.8 Ų | 83.8 | 33% | 0.33 | 44% | 0.438 | S | S | . | . | trans | -116 | 20.3 | -170.1 | -68 | -67.4 | -78 | 0 | 0 | 113.3 | I339 A346 C349 D353 F354 C355 | I339-M351 HydrophobicContact CG2-CB 3.35Å; I339-M351 HydrophobicContact CG2-CG 3.73Å; A346-M351 PolarHBondContact O-N 3.49Å; C349-M351 VanDerWaalsContact C-N 3.3Å; C349-M351 HydrophobicContact CB-CG 4.36Å; C349-M351 WeakPolarHBondContact O-CG 3.5Å; C349-M351 PolarHBondContact O-N 3.23Å; M351-D353 PolarHBondContact O-N 2.86Å; M351-F354 HydrophobicContact CE-CB 3.86Å; M351-F354 HydrophobicContact CE-CD1 3.8Å; M351-F354 HydrophobicContact CE-CD2 4.24Å; M351-F354 HydrophobicContact CE-CE1 4.43Å; M351-F354 HydrophobicContact CE-CG 3.69Å; M351-F354 WeakPolarHBondContact O-CB 3.29Å; M351-F354 PolarHBondContact O-N 2.93Å; M351-F354 HydrophobicContact SD-CB 4.5Å; M351-C355 PolarHBondContact O-N 3.49Å; M351-C355 PolarHBondContact O-SG 2.89Å | ||
| 352 | V | 92.3 | Very high | 87.8 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 18% | 0.176 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.4 | -47.1 | -177.9 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | L343 A346 Q347 F354 C355 Q356 | L343-V352 HydrophobicContact CD1-CG1 3.96Å; L343-V352 HydrophobicContact CD1-CG2 4.39Å; A346-V352 HydrophobicContact CB-CG2 4.09Å; Q347-V352 HydrophobicContact CB-CG2 4.2Å; Q347-V352 HydrophobicContact CG-CG2 3.48Å; Q347-V352 VanDerWaalsContact CG-CG2 3.48Å; V352-F354 VanDerWaalsContact C-N 3.29Å; V352-F354 PolarHBondContact O-N 2.93Å; V352-C355 PolarHBondContact O-N 3.34Å; V352-Q356 HydrophobicContact CG1-CG 4.28Å; V352-Q356 WeakPolarHBondContact O-CB 3.29Å; V352-Q356 WeakPolarHBondContact O-CG 3.37Å; V352-Q356 PolarHBondContact O-N 3.16Å |
| 353 | D | 91 | Very high | 87.7 | Confident | 113 Ų | 113 | 82.1 Ų | 82.1 | 60% | 0.604 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.7 | -36.7 | -178.9 | -66.5 | -16.5 | 0 | 0 | 0 | 112.2 | M351 K357 | M351-D353 PolarHBondContact O-N 2.86Å; D353-K357 WeakPolarHBondContact O-CB 3.27Å; D353-K357 WeakPolarHBondContact O-CG 3.26Å; D353-K357 PolarHBondContact O-N 3.05Å; D353-K357 VanDerWaalsContact O-N 3.15Å |
| 354 | F | 89.4 | Confident | 87.5 | Confident | 70 Ų | 70 | 81.7 Ų | 81.7 | 31% | 0.307 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65 | -48.9 | 174.2 | 169.6 | -93.6 | 0 | 0 | 0 | 110.5 | P336 M351 V352 Q356 K357 V358 | P336-F354 HydrophobicContact CB-CE1 3.95Å; P336-F354 HydrophobicContact CB-CZ 4.22Å; P336-F354 HydrophobicContact CG-CE1 4.11Å; P336-F354 HydrophobicContact CG-CZ 4Å; M351-F354 HydrophobicContact CE-CB 3.86Å; M351-F354 HydrophobicContact CE-CD1 3.8Å; M351-F354 HydrophobicContact CE-CD2 4.24Å; M351-F354 HydrophobicContact CE-CE1 4.43Å; M351-F354 HydrophobicContact CE-CG 3.69Å; M351-F354 WeakPolarHBondContact O-CB 3.29Å; M351-F354 PolarHBondContact O-N 2.93Å; M351-F354 HydrophobicContact SD-CB 4.5Å; V352-F354 VanDerWaalsContact C-N 3.29Å; V352-F354 PolarHBondContact O-N 2.93Å; F354-Q356 PolarHBondContact O-N 3.38Å; F354-K357 PolarHBondContact O-N 3.34Å; F354-V358 HydrophobicContact CD2-CG2 3.93Å; F354-V358 HydrophobicContact CE2-CB 4.24Å; F354-V358 HydrophobicContact CE2-CG1 4.3Å; F354-V358 HydrophobicContact CE2-CG2 3.86Å; F354-V358 HydrophobicContact CZ-CB 4.31Å; F354-V358 HydrophobicContact CZ-CG1 4.17Å; F354-V358 HydrophobicContact CZ-CG2 4.43Å; F354-V358 VanDerWaalsContact O-CB 3.3Å; F354-V358 WeakPolarHBondContact O-CB 3.26Å; F354-V358 WeakPolarHBondContact O-CG2 3.28Å; F354-V358 PolarHBondContact O-N 3.5Å |
| 355 | C | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | -179.8 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | C340 A346 M351 V352 K357 M359 W360 | C340-C355 WeakPolarHBondContact CA-SG 3.42Å; C340-C355 HydrophobicContact CB-CB 3.61Å; C340-C355 WeakPolarHBondContact CB-SG 3.04Å; C340-C355 WeakPolarHBondContact SG-CA 3.46Å; C340-C355 WeakPolarHBondContact SG-CB 3.34Å; C340-C355 CovalentContact SG-SG 2.03Å; C340-C355 PolarHBondContact SG-SG 3.37Å; A346-C355 HydrophobicContact CB-CB 4.39Å; M351-C355 PolarHBondContact O-N 3.49Å; M351-C355 PolarHBondContact O-SG 2.89Å; V352-C355 PolarHBondContact O-N 3.34Å; C355-K357 VanDerWaalsContact C-N 3.34Å; C355-K357 PolarHBondContact O-N 3.04Å; C355-M359 PolarHBondContact O-N 2.85Å; C355-W360 HydrophobicContact CB-CD2 3.99Å; C355-W360 HydrophobicContact CB-CE3 3.86Å; C355-W360 HydrophobicContact CB-CH2 3.84Å; C355-W360 HydrophobicContact CB-CZ2 4.01Å; C355-W360 HydrophobicContact CB-CZ3 3.78Å; C355-W360 PolarHBondContact O-N 3.38Å |
| 356 | Q | 91.3 | Very high | 87.1 | Confident | 100 Ų | 100 | 79.9 Ų | 79.9 | 47% | 0.467 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 175.4 | -77 | -178.3 | -16.1 | 0 | 0 | 112.5 | V352 F354 W360 N361 | V352-Q356 HydrophobicContact CG1-CG 4.28Å; V352-Q356 WeakPolarHBondContact O-CB 3.29Å; V352-Q356 WeakPolarHBondContact O-CG 3.37Å; V352-Q356 PolarHBondContact O-N 3.16Å; F354-Q356 PolarHBondContact O-N 3.38Å; Q356-W360 HydrophobicContact CG-CE3 4.12Å; Q356-N361 VanDerWaalsContact O-CB 3.27Å; Q356-N361 WeakPolarHBondContact O-CB 3.06Å; Q356-N361 PolarHBondContact O-OD1 3.46Å |
| 357 | K | 86.6 | Confident | 86.9 | Confident | 150 Ų | 150 | 85.2 Ų | 85.2 | 65% | 0.652 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -81.4 | -33.1 | -177.2 | -73.1 | 176.1 | -177.7 | 173.4 | 0 | 114 | D353 F354 C355 N361 | D353-K357 WeakPolarHBondContact O-CB 3.27Å; D353-K357 WeakPolarHBondContact O-CG 3.26Å; D353-K357 PolarHBondContact O-N 3.05Å; D353-K357 VanDerWaalsContact O-N 3.15Å; F354-K357 PolarHBondContact O-N 3.34Å; C355-K357 VanDerWaalsContact C-N 3.34Å; C355-K357 PolarHBondContact O-N 3.04Å; K357-N361 PolarHBondContact O-ND2 3.45Å; K357-N361 VanDerWaalsContact O-ND2 3.11Å |
| 358 | V | 82.1 | Confident | 86.4 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -109.1 | -34.2 | -165.7 | -177.3 | 0 | 0 | 0 | 0 | 113.1 | F354 | F354-V358 HydrophobicContact CD2-CG2 3.93Å; F354-V358 HydrophobicContact CE2-CB 4.24Å; F354-V358 HydrophobicContact CE2-CG1 4.3Å; F354-V358 HydrophobicContact CE2-CG2 3.86Å; F354-V358 HydrophobicContact CZ-CB 4.31Å; F354-V358 HydrophobicContact CZ-CG1 4.17Å; F354-V358 HydrophobicContact CZ-CG2 4.43Å; F354-V358 VanDerWaalsContact O-CB 3.3Å; F354-V358 WeakPolarHBondContact O-CB 3.26Å; F354-V358 WeakPolarHBondContact O-CG2 3.28Å; F354-V358 PolarHBondContact O-N 3.5Å |
| 359 | M | 80.3 | Confident | 86.3 | Confident | 92 Ų | 92 | 83.9 Ų | 83.9 | 45% | 0.453 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -33.9 | -168.8 | -67.8 | -72.8 | -78.1 | 0 | 0 | 114.4 | P336 C340 C355 | P336-M359 HydrophobicContact CB-CE 4.47Å; P336-M359 HydrophobicContact CB-SD 4.49Å; C340-M359 HydrophobicContact CB-CB 3.88Å; C340-M359 HydrophobicContact CB-CG 3.94Å; C355-M359 PolarHBondContact O-N 2.85Å |
| 360 | W | 84.4 | Confident | 86 | Confident | 102 Ų | 102 | 88.7 Ų | 88.7 | 39% | 0.386 | 47% | 0.466 | S | S | . | . | trans | -103 | 7.6 | -178.4 | -60.5 | -24.2 | 0 | 0 | 0 | 113.7 | C340 L343 A346 C355 Q356 | C340-W360 HydrophobicContact CB-CZ2 4.36Å; C340-W360 VanDerWaalsContact O-CE2 3.31Å; C340-W360 WeakPolarHBondContact O-CZ2 3.24Å; C340-W360 PolarHBondContact O-NE1 2.82Å; L343-W360 HydrophobicContact CB-CH2 4.32Å; L343-W360 HydrophobicContact CD1-CH2 4.25Å; L343-W360 HydrophobicContact CD1-CZ3 3.91Å; A346-W360 HydrophobicContact CB-CH2 3.6Å; A346-W360 HydrophobicContact CB-CZ2 4.37Å; A346-W360 HydrophobicContact CB-CZ3 4.37Å; C355-W360 HydrophobicContact CB-CD2 3.99Å; C355-W360 HydrophobicContact CB-CE3 3.86Å; C355-W360 HydrophobicContact CB-CH2 3.84Å; C355-W360 HydrophobicContact CB-CZ2 4.01Å; C355-W360 HydrophobicContact CB-CZ3 3.78Å; C355-W360 PolarHBondContact O-N 3.38Å; Q356-W360 HydrophobicContact CG-CE3 4.12Å | ||
| 361 | N | 58.4 | Low | 85.5 | Confident | 185 Ų | 185 | 90.6 Ų | 90.6 | 99% | 0.989 | 45% | 0.446 | S | S | * | . | trans | -84.5 | 0 | -175.2 | -131.3 | 6.1 | 0 | 0 | 0 | 111.7 | Q356 K357 | Q356-N361 VanDerWaalsContact O-CB 3.27Å; Q356-N361 WeakPolarHBondContact O-CB 3.06Å; Q356-N361 PolarHBondContact O-OD1 3.46Å; K357-N361 PolarHBondContact O-ND2 3.45Å; K357-N361 VanDerWaalsContact O-ND2 3.11Å |
Retrieved 361 of 361 residues in 239.6 ms
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