| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.4 | Very low | 38.6 | Very low | 241 Ų | 241 | 148.9 Ų | 148.9 | 100% | 1.187 | 81% | 0.805 | S | S | * | * | 0 | 90.3 | 0 | -70.2 | 173.7 | -149 | 0 | 0 | 108 | C3 | M1-C3 PolarHBondContact O-N 3.3Š| |||
| 2 | C | 36.9 | Very low | 39.5 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | trans | -87.2 | 91.8 | 171.3 | -91.4 | 0 | 0 | 0 | 0 | 108 | S4 | C2-S4 PolarHBondContact O-N 3.36Š| ||
| 3 | C | 37.4 | Very low | 40.4 | Very low | 107 Ų | 107 | 141 Ų | 141 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | trans | -89.3 | 85.4 | 164 | -76.8 | 0 | 0 | 0 | 0 | 107.9 | M1 H5 | M1-C3 PolarHBondContact O-N 3.3Å; C3-H5 VanDerWaalsContact C-N 3.25Å; C3-H5 PolarHBondContact O-N 3.02Å | ||
| 4 | S | 41.3 | Very low | 41.4 | Very low | 96 Ų | 96 | 145.1 Ų | 145.1 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | -61 | 91.2 | 159.8 | 38.8 | 0 | 0 | 0 | 0 | 108.6 | C2 W6 | C2-S4 PolarHBondContact O-N 3.36Å; S4-W6 PolarHBondContact O-N 3.41Å | ||
| 5 | H | 40.9 | Very low | 42.3 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -66.2 | 100.2 | 167 | -98.7 | 77.6 | 0 | 0 | 0 | 107.8 | C3 Q7 | C3-H5 VanDerWaalsContact C-N 3.25Å; C3-H5 PolarHBondContact O-N 3.02Å; H5-Q7 PolarHBondContact O-N 3.46Å | ||
| 6 | W | 35.4 | Very low | 42.9 | Very low | 228 Ų | 228 | 135.3 Ų | 135.3 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | -64 | 92.4 | 156 | -76.4 | 90 | 0 | 0 | 0 | 107.4 | S4 Q8 | S4-W6 PolarHBondContact O-N 3.41Å; W6-Q8 VanDerWaalsContact C-N 3.27Å; W6-Q8 PolarHBondContact O-N 2.99Å | ||
| 7 | Q | 38.1 | Very low | 43.5 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | trans | -63.6 | 99.5 | 155 | -86.9 | 172.5 | -51.8 | 0 | 0 | 106.1 | H5 S9 | H5-Q7 PolarHBondContact O-N 3.46Å; Q7-S9 VanDerWaalsContact C-N 3.3Å; Q7-S9 PolarHBondContact O-N 3.09Å | ||
| 8 | Q | 36.8 | Very low | 44.2 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -61.4 | 102.8 | 161.9 | -76.7 | 176.7 | -3.7 | 0 | 0 | 106.3 | W6 T10 | W6-Q8 VanDerWaalsContact C-N 3.27Å; W6-Q8 PolarHBondContact O-N 2.99Å; Q8-T10 VanDerWaalsContact C-N 3.34Å; Q8-T10 PolarHBondContact O-N 2.94Å | ||
| 9 | S | 35 | Very low | 45.1 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -55.4 | 100.1 | 165.8 | -173.4 | 0 | 0 | 0 | 0 | 107.5 | Q7 S11 | Q7-S9 VanDerWaalsContact C-N 3.3Å; Q7-S9 PolarHBondContact O-N 3.09Å; S9-S11 PolarHBondContact O-N 3.24Å; S9-S11 PolarHBondContact OG-OG 3.25Å | ||
| 10 | T | 38.8 | Very low | 45.9 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | trans | -73.5 | 62.8 | 167 | 54.1 | 0 | 0 | 0 | 0 | 108.1 | Q8 I12 | Q8-T10 VanDerWaalsContact C-N 3.34Å; Q8-T10 PolarHBondContact O-N 2.94Å; T10-I12 PolarHBondContact O-N 3.14Å; T10-I12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | S | 42.9 | Very low | 46.8 | Very low | 86 Ų | 86 | 124 Ų | 124 | 60% | 0.601 | 68% | 0.684 | S | S | * | * | trans | -73.6 | 103.5 | 167.8 | -59.6 | 0 | 0 | 0 | 0 | 106 | S9 P13 | S9-S11 PolarHBondContact O-N 3.24Å; S9-S11 PolarHBondContact OG-OG 3.25Å; S11-P13 VanDerWaalsContact O-CD 3.29Å; S11-P13 WeakPolarHBondContact O-CD 3.48Å; S11-P13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | I | 49 | Very low | 47.9 | Very low | 109 Ų | 109 | 113.3 Ų | 113.3 | 56% | 0.559 | 63% | 0.633 | S | S | * | * | trans | -53.2 | 118.5 | 163.1 | -62 | 170.4 | 0 | 0 | 0 | 105.4 | T10 H14 | T10-I12 PolarHBondContact O-N 3.14Å; T10-I12 VanDerWaalsContact O-N 3.16Å; I12-H14 PolarHBondContact O-N 3.25Å | ||
| 13 | P | 51.9 | Low | 50.1 | Low | 86 Ų | 86 | 115.1 Ų | 115.1 | 56% | 0.558 | 63% | 0.625 | S | S | * | * | trans | -53.9 | 132.3 | 178.9 | -23.7 | 32.5 | 0 | 0 | 0 | 109.1 | S11 L15 | S11-P13 VanDerWaalsContact O-CD 3.29Å; S11-P13 WeakPolarHBondContact O-CD 3.48Å; S11-P13 VanDerWaalsContact O-N 3.12Å; P13-L15 PolarHBondContact O-N 3.28Å | ||
| 14 | H | 54.1 | Low | 52.6 | Low | 198 Ų | 198 | 116.1 Ų | 116.1 | 92% | 0.917 | 62% | 0.617 | S | S | * | * | trans | -59.9 | 104.1 | 171 | -81.3 | -73.6 | 0 | 0 | 0 | 108.4 | I12 P16 | I12-H14 PolarHBondContact O-N 3.25Å; H14-P16 WeakPolarHBondContact O-CD 3.23Å | ||
| 15 | L | 55 | Low | 55.1 | Low | 56 Ų | 56 | 111.8 Ų | 111.8 | 29% | 0.293 | 59% | 0.587 | S | S | . | * | trans | -78 | 123.2 | -179 | -70.5 | 162.9 | 0 | 0 | 0 | 109 | P13 S17 F20 F46 L48 | P13-L15 PolarHBondContact O-N 3.28Å; L15-S17 PolarHBondContact O-N 3.04Å; L15-F20 HydrophobicContact CD1-CE2 4.22Å; L15-F46 HydrophobicContact CD2-CB 3.81Å; L15-F46 HydrophobicContact CD2-CD1 3.18Å; L15-F46 HydrophobicContact CD2-CD2 4.48Å; L15-F46 HydrophobicContact CD2-CE1 3.83Å; L15-F46 HydrophobicContact CD2-CG 3.57Å; L15-L48 HydrophobicContact CD1-CD1 4.13Å | ||
| 16 | P | 51.1 | Low | 57.5 | Low | 78 Ų | 78 | 108.4 Ų | 108.4 | 51% | 0.506 | 57% | 0.571 | S | S | . | * | trans | -59.6 | 130.9 | 170.8 | -15.9 | 26.9 | 0 | 0 | 0 | 109.1 | H14 S18 A19 | H14-P16 WeakPolarHBondContact O-CD 3.23Å; P16-S18 PolarHBondContact O-N 2.67Å; P16-A19 HydrophobicContact CB-CB 4.22Å; P16-A19 HydrophobicContact CG-CB 4.31Å; P16-A19 WeakPolarHBondContact O-CB 3.48Å; P16-A19 PolarHBondContact O-N 3.26Å | ||
| 17 | S | 53.5 | Low | 60 | Low | 121 Ų | 121 | 99.9 Ų | 99.9 | 85% | 0.846 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -26.4 | 178.2 | -178.6 | 0 | 0 | 0 | 0 | 113 | L15 | L15-S17 PolarHBondContact O-N 3.04Š|
| 18 | S | 55.8 | Low | 62.4 | Low | 104 Ų | 104 | 96.3 Ų | 96.3 | 73% | 0.727 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -5 | 175.8 | 57 | 0 | 0 | 0 | 0 | 115.4 | P16 | P16-S18 PolarHBondContact O-N 2.67Š|
| 19 | A | 60.9 | Low | 64.8 | Low | 31 Ų | 31 | 92.8 Ų | 92.8 | 26% | 0.256 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -75.5 | -29.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P16 H21 F46 | P16-A19 HydrophobicContact CB-CB 4.22Å; P16-A19 HydrophobicContact CG-CB 4.31Å; P16-A19 WeakPolarHBondContact O-CB 3.48Å; P16-A19 PolarHBondContact O-N 3.26Å; A19-H21 PolarHBondContact O-N 2.81Å; A19-F46 HydrophobicContact CB-CE1 3.84Å; A19-F46 HydrophobicContact CB-CZ 3.64Å |
| 20 | F | 61.5 | Low | 67.4 | Low | 13 Ų | 13 | 90.4 Ų | 90.4 | 6% | 0.057 | 51% | 0.513 | C | S | . | . | trans | -85.5 | 93.8 | 175.2 | -79 | -97 | 0 | 0 | 0 | 110 | L15 S22 E42 L43 F46 L61 K65 | L15-F20 HydrophobicContact CD1-CE2 4.22Å; F20-S22 VanDerWaalsContact C-N 3.25Å; F20-E42 WeakPolarHBondContact CA-OE1 3.36Å; F20-E42 HydrophobicContact CD1-CG 3.64Å; F20-E42 VanDerWaalsContact CD1-OE2 3.28Å; F20-E42 WeakPolarHBondContact CD1-OE2 3.37Å; F20-E42 HydrophobicContact CE1-CB 4.35Å; F20-E42 HydrophobicContact CE1-CG 3.72Å; F20-L43 HydrophobicContact CE1-CD2 3.92Å; F20-L43 HydrophobicContact CZ-CD2 3.98Å; F20-F46 HydrophobicContact CD1-CE2 4.22Å; F20-F46 HydrophobicContact CD2-CD2 4.35Å; F20-F46 AromaticContact CD2-CE2 3.92Å; F20-F46 HydrophobicContact CD2-CE2 3.92Å; F20-F46 HydrophobicContact CD2-CZ 4.41Å; F20-F46 AromaticContact CE1-CD2 3.8Å; F20-F46 HydrophobicContact CE1-CD2 3.8Å; F20-F46 AromaticContact CE1-CE2 3.84Å; F20-F46 HydrophobicContact CE1-CE2 3.84Å; F20-F46 AromaticContact CE2-CD2 3.5Å; F20-F46 HydrophobicContact CE2-CD2 3.5Å; F20-F46 AromaticContact CE2-CE2 3.53Å; F20-F46 HydrophobicContact CE2-CE2 3.53Å; F20-F46 HydrophobicContact CE2-CG 4.17Å; F20-F46 HydrophobicContact CE2-CZ 4.22Å; F20-F46 HydrophobicContact CG-CE2 4.23Å; F20-F46 AromaticContact CZ-CD2 3.15Å; F20-F46 HydrophobicContact CZ-CD2 3.15Å; F20-F46 AromaticContact CZ-CE2 3.47Å; F20-F46 HydrophobicContact CZ-CE2 3.47Å; F20-F46 VanDerWaalsContact CZ-CE2 3.47Å; F20-F46 HydrophobicContact CZ-CG 4.05Å; F20-L61 HydrophobicContact CD2-CD2 3.87Å; F20-L61 HydrophobicContact CE1-CD1 4.2Å; F20-L61 HydrophobicContact CE1-CD2 4.44Å; F20-L61 HydrophobicContact CE2-CD1 3.86Å; F20-L61 HydrophobicContact CE2-CD2 3.68Å; F20-L61 HydrophobicContact CE2-CG 4.44Å; F20-L61 HydrophobicContact CG-CD2 4.34Å; F20-L61 HydrophobicContact CZ-CD1 3.53Å; F20-L61 HydrophobicContact CZ-CD2 4Å; F20-L61 HydrophobicContact CZ-CG 4.35Å; F20-K65 HydrophobicContact CB-CD 4.17Å; F20-K65 PolarHBondContact O-NZ 2.75Å | ||
| 21 | H | 64.7 | Low | 69.7 | Low | 171 Ų | 171 | 88 Ų | 88 | 79% | 0.792 | 49% | 0.492 | S | S | * | . | trans | -83.2 | -3.1 | 179.1 | -154.2 | 83.4 | 0 | 0 | 0 | 112.5 | A19 K23 E42 | A19-H21 PolarHBondContact O-N 2.81Å; H21-K23 PolarHBondContact O-N 3Å; H21-E42 PolarHBondContact N-OE1 3.47Å | ||
| 22 | S | 66 | Low | 72 | Confident | 16 Ų | 16 | 84.6 Ų | 84.6 | 11% | 0.112 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 127.7 | 179.6 | 175.5 | 0 | 0 | 0 | 0 | 112.5 | F20 R38 E42 | F20-S22 VanDerWaalsContact C-N 3.25Å; S22-R38 PolarHBondContact OG-NH1 3.37Å; S22-E42 WeakPolarHBondContact CB-OE2 3.02Å; S22-E42 PolarHBondContact N-OE1 3.22Å |
| 23 | K | 81.6 | Confident | 73.9 | Confident | 171 Ų | 171 | 81.9 Ų | 81.9 | 74% | 0.743 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 143.4 | 170.4 | -64.4 | -178.9 | 179.1 | 179.1 | 0 | 109.3 | H21 R38 | H21-K23 PolarHBondContact O-N 3Å; K23-R38 PolarHBondContact O-NH2 2.88Å |
| 24 | F | 91.5 | Very high | 75.8 | Confident | 127 Ų | 127 | 83.8 Ų | 83.8 | 56% | 0.557 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 156.8 | 171.8 | -59.8 | -59.1 | 0 | 0 | 0 | 111.5 | K65 | F24-K65 VanDerWaalsContact CD1-O 3.28Å; F24-K65 WeakPolarHBondContact CD1-O 3.4Å |
| 25 | F | 92.8 | Very high | 77.7 | Confident | 6 Ų | 6 | 74.4 Ų | 74.4 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 134.3 | 174.4 | 177.8 | -132 | 0 | 0 | 0 | 109.9 | P27 E30 W32 Y35 V66 H70 I95 Y99 | F25-P27 HydrophobicContact CD1-CG 4.26Å; F25-P27 HydrophobicContact CE1-CB 4.44Å; F25-P27 HydrophobicContact CE1-CG 3.68Å; F25-P27 HydrophobicContact CZ-CB 4.17Å; F25-P27 HydrophobicContact CZ-CG 3.87Å; F25-E30 WeakPolarHBondContact CE2-O 3.48Å; F25-W32 AromaticContact CD1-CE3 3.75Å; F25-W32 HydrophobicContact CD1-CE3 3.75Å; F25-W32 HydrophobicContact CD1-CZ3 4.04Å; F25-W32 HydrophobicContact CD2-CE3 4.2Å; F25-W32 AromaticContact CE1-CE3 3.79Å; F25-W32 HydrophobicContact CE1-CE3 3.79Å; F25-W32 HydrophobicContact CE1-CZ3 4.49Å; F25-W32 HydrophobicContact CE2-CB 4.33Å; F25-W32 HydrophobicContact CE2-CE3 4.23Å; F25-W32 AromaticContact CG-CE3 3.99Å; F25-W32 HydrophobicContact CG-CE3 3.99Å; F25-W32 HydrophobicContact CG-CZ3 4.2Å; F25-W32 HydrophobicContact CZ-CB 3.91Å; F25-W32 HydrophobicContact CZ-CE3 4.04Å; F25-Y35 HydrophobicContact CB-CD1 4.07Å; F25-Y35 HydrophobicContact CB-CD2 3.58Å; F25-Y35 HydrophobicContact CB-CE1 4.09Å; F25-Y35 HydrophobicContact CB-CE2 3.6Å; F25-Y35 HydrophobicContact CB-CG 3.83Å; F25-Y35 HydrophobicContact CD2-CD1 4.32Å; F25-Y35 AromaticContact CD2-CD2 3.93Å; F25-Y35 HydrophobicContact CD2-CD2 3.93Å; F25-Y35 AromaticContact CD2-CG 3.67Å; F25-Y35 HydrophobicContact CD2-CG 3.67Å; F25-Y35 HydrophobicContact CG-CD1 4.29Å; F25-Y35 HydrophobicContact CG-CD2 4.16Å; F25-Y35 HydrophobicContact CG-CG 4Å; F25-Y35 VanDerWaalsContact N-CE2 3.31Å; F25-V66 HydrophobicContact CB-CG2 4.4Å; F25-V66 WeakPolarHBondContact CB-O 3.33Å; F25-V66 PolarHBondContact N-O 2.74Å; F25-V66 VanDerWaalsContact N-O 3.15Å; F25-H70 AromaticContact CD1-CD2 3.39Å; F25-H70 WeakPolarHBondContact CD1-CD2 3.45Å; F25-H70 AromaticContact CD1-CE1 3.98Å; F25-H70 AromaticContact CD1-CG 4Å; F25-H70 AromaticContact CD1-NE2 3.39Å; F25-H70 WeakPolarHBondContact CD1-NE2 3.46Å; F25-H70 PolarHBondContact O-NE2 3.45Å; F25-I95 HydrophobicContact CE1-CG2 4.4Å; F25-Y99 HydrophobicContact CD1-CE2 4.49Å; F25-Y99 HydrophobicContact CE1-CD1 4.2Å; F25-Y99 AromaticContact CE1-CD2 3.64Å; F25-Y99 HydrophobicContact CE1-CD2 3.64Å; F25-Y99 HydrophobicContact CE1-CE1 4.26Å; F25-Y99 AromaticContact CE1-CE2 3.7Å; F25-Y99 HydrophobicContact CE1-CE2 3.7Å; F25-Y99 AromaticContact CE1-CG 3.91Å; F25-Y99 HydrophobicContact CE1-CG 3.91Å; F25-Y99 HydrophobicContact CZ-CD1 4.31Å; F25-Y99 HydrophobicContact CZ-CD2 4.25Å; F25-Y99 HydrophobicContact CZ-CG 4.09Å |
| 26 | E | 91.7 | Very high | 79.5 | Confident | 94 Ų | 94 | 72.5 Ų | 72.5 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | trans | -135.9 | 96.8 | -179.6 | 179.4 | 55.9 | -109.6 | 0 | 0 | 109.6 | S28 S29 E30 | E26-S28 VanDerWaalsContact CD-OG 3.29Å; E26-S28 VanDerWaalsContact CG-OG 3.31Å; E26-S28 WeakPolarHBondContact CG-OG 3.42Å; E26-S28 PolarHBondContact O-N 3.48Å; E26-S28 PolarHBondContact OE1-OG 3.09Å; E26-S29 WeakPolarHBondContact CG-OG 3.43Å; E26-S29 PolarHBondContact O-N 3.14Å; E26-S29 PolarHBondContact O-OG 3.31Å; E26-E30 PolarHBondContact O-N 3.43Å | ||
| 27 | P | 88.1 | Confident | 81.6 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 32% | 0.318 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.4 | -173.6 | -22.5 | 29.9 | 0 | 0 | 0 | 114.8 | F25 S29 Y99 | F25-P27 HydrophobicContact CD1-CG 4.26Å; F25-P27 HydrophobicContact CE1-CB 4.44Å; F25-P27 HydrophobicContact CE1-CG 3.68Å; F25-P27 HydrophobicContact CZ-CB 4.17Å; F25-P27 HydrophobicContact CZ-CG 3.87Å; P27-S29 PolarHBondContact O-N 3.4Å; P27-Y99 HydrophobicContact CB-CD1 3.79Å; P27-Y99 HydrophobicContact CB-CE1 3.56Å; P27-Y99 HydrophobicContact CG-CD1 3.87Å; P27-Y99 HydrophobicContact CG-CE1 3.23Å |
| 28 | S | 87.8 | Confident | 83.5 | Confident | 104 Ų | 104 | 72.6 Ų | 72.6 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -14.1 | 176.3 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | E26 | E26-S28 VanDerWaalsContact CD-OG 3.29Å; E26-S28 VanDerWaalsContact CG-OG 3.31Å; E26-S28 WeakPolarHBondContact CG-OG 3.42Å; E26-S28 PolarHBondContact O-N 3.48Å; E26-S28 PolarHBondContact OE1-OG 3.09Å |
| 29 | S | 87.6 | Confident | 85.3 | Confident | 98 Ų | 98 | 67.6 Ų | 67.6 | 69% | 0.685 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | -20.6 | -172 | 69.3 | 0 | 0 | 0 | 0 | 115.2 | E26 P27 | E26-S29 WeakPolarHBondContact CG-OG 3.43Å; E26-S29 PolarHBondContact O-N 3.14Å; E26-S29 PolarHBondContact O-OG 3.31Å; P27-S29 PolarHBondContact O-N 3.4Å |
| 30 | E | 88.9 | Confident | 87 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -140.1 | 141.8 | -176.9 | -170.8 | 173.7 | -158.1 | 0 | 0 | 109.6 | F25 E26 Y35 R38 | F25-E30 WeakPolarHBondContact CE2-O 3.48Å; E26-E30 PolarHBondContact O-N 3.43Å; E30-Y35 WeakPolarHBondContact OE1-CA 3.43Å; E30-Y35 PolarHBondContact OE1-N 3.26Å; E30-R38 IonicContact OE1-CZ 3.67Å; E30-R38 IonicContact OE1-NE 2.74Å; E30-R38 PolarHBondContact OE1-NE 2.98Å; E30-R38 IonicContact OE1-NH2 3.01Å; E30-R38 IonicContact OE2-CZ 2.61Å; E30-R38 IonicContact OE2-NE 3.35Å; E30-R38 IonicContact OE2-NH2 3.83Å; E30-R38 PolarHBondContact OE2-NH2 3.4Å |
| 31 | E | 88 | Confident | 88.5 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | trans | -78.7 | 145 | 170.6 | -55.3 | -176.8 | -146.1 | 0 | 0 | 109.9 | A33 Y34 Y35 K136 | E31-A33 PolarHBondContact O-N 3.47Å; E31-A33 VanDerWaalsContact O-N 3.11Å; E31-Y34 HydrophobicContact CB-CD2 3.81Å; E31-Y34 HydrophobicContact CB-CE2 4.25Å; E31-Y34 HydrophobicContact CG-CD2 4.2Å; E31-Y34 HydrophobicContact CG-CE2 4.25Å; E31-Y34 PolarHBondContact O-N 3.01Å; E31-Y35 PolarHBondContact O-N 2.98Å; E31-Y35 VanDerWaalsContact O-N 3.16Å; E31-K136 IonicContact OE1-NZ 3.99Å; E31-K136 PolarHBondContact OE1-NZ 3.35Å; E31-K136 WeakPolarHBondContact OE2-CE 3.31Å; E31-K136 IonicContact OE2-NZ 2.64Å; E31-K136 PolarHBondContact OE2-NZ 2.92Å | ||
| 32 | W | 91.7 | Very high | 89.9 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -51.5 | -39.1 | 179.4 | 174 | -113 | 0 | 0 | 0 | 113.2 | F25 Y34 Y35 I36 L62 V66 K92 I95 | F25-W32 AromaticContact CD1-CE3 3.75Å; F25-W32 HydrophobicContact CD1-CE3 3.75Å; F25-W32 HydrophobicContact CD1-CZ3 4.04Å; F25-W32 HydrophobicContact CD2-CE3 4.2Å; F25-W32 AromaticContact CE1-CE3 3.79Å; F25-W32 HydrophobicContact CE1-CE3 3.79Å; F25-W32 HydrophobicContact CE1-CZ3 4.49Å; F25-W32 HydrophobicContact CE2-CB 4.33Å; F25-W32 HydrophobicContact CE2-CE3 4.23Å; F25-W32 AromaticContact CG-CE3 3.99Å; F25-W32 HydrophobicContact CG-CE3 3.99Å; F25-W32 HydrophobicContact CG-CZ3 4.2Å; F25-W32 HydrophobicContact CZ-CB 3.91Å; F25-W32 HydrophobicContact CZ-CE3 4.04Å; W32-Y34 VanDerWaalsContact C-N 3.33Å; W32-Y34 PolarHBondContact O-N 3.23Å; W32-Y35 AromaticContact CE3-CD1 3.66Å; W32-Y35 HydrophobicContact CE3-CD1 3.66Å; W32-Y35 HydrophobicContact CE3-CE1 4.38Å; W32-Y35 HydrophobicContact CE3-CG 4.34Å; W32-Y35 AromaticContact CH2-CD1 3.93Å; W32-Y35 HydrophobicContact CH2-CD1 3.93Å; W32-Y35 AromaticContact CH2-CE1 4Å; W32-Y35 HydrophobicContact CH2-CE1 4Å; W32-Y35 AromaticContact CZ3-CD1 3.22Å; W32-Y35 HydrophobicContact CZ3-CD1 3.22Å; W32-Y35 AromaticContact CZ3-CE1 3.52Å; W32-Y35 HydrophobicContact CZ3-CE1 3.52Å; W32-Y35 HydrophobicContact CZ3-CG 4.24Å; W32-Y35 PolarHBondContact O-N 2.87Å; W32-I36 HydrophobicContact CH2-CD1 4.05Å; W32-I36 HydrophobicContact CZ2-CB 4.18Å; W32-I36 HydrophobicContact CZ2-CD1 3.91Å; W32-I36 HydrophobicContact CZ2-CG1 4.15Å; W32-I36 WeakPolarHBondContact O-CG2 3.37Å; W32-I36 PolarHBondContact O-N 3.42Å; W32-L62 HydrophobicContact CH2-CD1 4.14Å; W32-V66 HydrophobicContact CH2-CG2 4.35Å; W32-V66 HydrophobicContact CZ3-CG2 4.06Å; W32-K92 HydrophobicContact CZ2-CG 4.47Å; W32-K92 PolarHBondContact NE1-O 3.24Å; W32-I95 HydrophobicContact CD2-CB 4.19Å; W32-I95 HydrophobicContact CD2-CG2 3.43Å; W32-I95 VanDerWaalsContact CD2-CG2 3.43Å; W32-I95 HydrophobicContact CE3-CB 4.41Å; W32-I95 HydrophobicContact CE3-CG2 3.41Å; W32-I95 VanDerWaalsContact CE3-CG2 3.41Å; W32-I95 HydrophobicContact CG-CG2 4.09Å; W32-I95 HydrophobicContact CH2-CB 3.98Å; W32-I95 HydrophobicContact CH2-CD1 3.38Å; W32-I95 HydrophobicContact CH2-CG1 4.29Å; W32-I95 HydrophobicContact CH2-CG2 3.78Å; W32-I95 HydrophobicContact CZ2-CB 3.76Å; W32-I95 HydrophobicContact CZ2-CD1 3.87Å; W32-I95 HydrophobicContact CZ2-CG1 4.43Å; W32-I95 HydrophobicContact CZ2-CG2 3.82Å; W32-I95 HydrophobicContact CZ3-CB 4.3Å; W32-I95 HydrophobicContact CZ3-CD1 3.92Å; W32-I95 HydrophobicContact CZ3-CG2 3.58Å |
| 33 | A | 89 | Confident | 91.2 | Very high | 52 Ų | 52 | 64.4 Ų | 64.4 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | E31 I36 E37 | E31-A33 PolarHBondContact O-N 3.47Å; E31-A33 VanDerWaalsContact O-N 3.11Å; A33-I36 WeakPolarHBondContact O-CG2 3.36Å; A33-E37 VanDerWaalsContact O-CG 3.24Å; A33-E37 WeakPolarHBondContact O-CG 3.4Å; A33-E37 PolarHBondContact O-N 3.06Å |
| 34 | Y | 90 | Very high | 91.8 | Very high | 127 Ų | 127 | 57.2 Ų | 57.2 | 50% | 0.498 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75.6 | -38.3 | 177.8 | -63.8 | -63.6 | 0 | 0 | 0 | 112 | E31 W32 I36 R38 | E31-Y34 HydrophobicContact CB-CD2 3.81Å; E31-Y34 HydrophobicContact CB-CE2 4.25Å; E31-Y34 HydrophobicContact CG-CD2 4.2Å; E31-Y34 HydrophobicContact CG-CE2 4.25Å; E31-Y34 PolarHBondContact O-N 3.01Å; W32-Y34 VanDerWaalsContact C-N 3.33Å; W32-Y34 PolarHBondContact O-N 3.23Å; Y34-I36 VanDerWaalsContact C-N 3.34Å; Y34-I36 PolarHBondContact O-N 2.97Å; Y34-R38 VanDerWaalsContact O-CB 3.31Å; Y34-R38 WeakPolarHBondContact O-CB 3.49Å; Y34-R38 PolarHBondContact O-N 3.32Å |
| 35 | Y | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 176.2 | 171.7 | -89.3 | 0 | 0 | 0 | 111.3 | F25 E30 E31 W32 R38 F39 L62 K65 V66 | F25-Y35 HydrophobicContact CB-CD1 4.07Å; F25-Y35 HydrophobicContact CB-CD2 3.58Å; F25-Y35 HydrophobicContact CB-CE1 4.09Å; F25-Y35 HydrophobicContact CB-CE2 3.6Å; F25-Y35 HydrophobicContact CB-CG 3.83Å; F25-Y35 HydrophobicContact CD2-CD1 4.32Å; F25-Y35 AromaticContact CD2-CD2 3.93Å; F25-Y35 HydrophobicContact CD2-CD2 3.93Å; F25-Y35 AromaticContact CD2-CG 3.67Å; F25-Y35 HydrophobicContact CD2-CG 3.67Å; F25-Y35 HydrophobicContact CG-CD1 4.29Å; F25-Y35 HydrophobicContact CG-CD2 4.16Å; F25-Y35 HydrophobicContact CG-CG 4Å; F25-Y35 VanDerWaalsContact N-CE2 3.31Å; E30-Y35 WeakPolarHBondContact OE1-CA 3.43Å; E30-Y35 PolarHBondContact OE1-N 3.26Å; E31-Y35 PolarHBondContact O-N 2.98Å; E31-Y35 VanDerWaalsContact O-N 3.16Å; W32-Y35 AromaticContact CE3-CD1 3.66Å; W32-Y35 HydrophobicContact CE3-CD1 3.66Å; W32-Y35 HydrophobicContact CE3-CE1 4.38Å; W32-Y35 HydrophobicContact CE3-CG 4.34Å; W32-Y35 AromaticContact CH2-CD1 3.93Å; W32-Y35 HydrophobicContact CH2-CD1 3.93Å; W32-Y35 AromaticContact CH2-CE1 4Å; W32-Y35 HydrophobicContact CH2-CE1 4Å; W32-Y35 AromaticContact CZ3-CD1 3.22Å; W32-Y35 HydrophobicContact CZ3-CD1 3.22Å; W32-Y35 AromaticContact CZ3-CE1 3.52Å; W32-Y35 HydrophobicContact CZ3-CE1 3.52Å; W32-Y35 HydrophobicContact CZ3-CG 4.24Å; W32-Y35 PolarHBondContact O-N 2.87Å; Y35-R38 PolarHBondContact O-N 3.44Å; Y35-F39 HydrophobicContact CE1-CB 4.41Å; Y35-F39 WeakPolarHBondContact O-CB 3.37Å; Y35-F39 PolarHBondContact O-N 3.26Å; Y35-L62 HydrophobicContact CE1-CD1 4.35Å; Y35-K65 PolarHBondContact OH-O 3.21Å; Y35-V66 WeakPolarHBondContact OH-CA 3.32Å; Y35-V66 PolarHBondContact OH-N 2.84Å |
| 36 | I | 94.4 | Very high | 91.8 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 9% | 0.087 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.2 | -38.2 | -175.1 | -162.6 | 59.3 | 0 | 0 | 0 | 112.1 | W32 A33 Y34 F39 E40 L62 K92 | W32-I36 HydrophobicContact CH2-CD1 4.05Å; W32-I36 HydrophobicContact CZ2-CB 4.18Å; W32-I36 HydrophobicContact CZ2-CD1 3.91Å; W32-I36 HydrophobicContact CZ2-CG1 4.15Å; W32-I36 WeakPolarHBondContact O-CG2 3.37Å; W32-I36 PolarHBondContact O-N 3.42Å; A33-I36 WeakPolarHBondContact O-CG2 3.36Å; Y34-I36 VanDerWaalsContact C-N 3.34Å; Y34-I36 PolarHBondContact O-N 2.97Å; I36-F39 HydrophobicContact CD1-CD1 4.03Å; I36-F39 PolarHBondContact O-N 3.36Å; I36-E40 WeakPolarHBondContact O-CB 3.35Å; I36-E40 WeakPolarHBondContact O-CG 3.42Å; I36-E40 PolarHBondContact O-N 3.11Å; I36-L62 HydrophobicContact CD1-CD1 4.09Å; I36-K92 HydrophobicContact CD1-CD 3.71Å; I36-K92 HydrophobicContact CD1-CG 3.83Å; I36-K92 HydrophobicContact CG1-CD 3.5Å; I36-K92 VanDerWaalsContact CG1-CD 3.5Å; I36-K92 HydrophobicContact CG1-CG 4.01Å |
| 37 | E | 93.8 | Very high | 91.9 | Very high | 117 Ų | 117 | 57.1 Ų | 57.1 | 55% | 0.547 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 173 | -73.8 | -70.7 | 162.3 | 0 | 0 | 111.6 | A33 F39 E40 C41 | A33-E37 VanDerWaalsContact O-CG 3.24Å; A33-E37 WeakPolarHBondContact O-CG 3.4Å; A33-E37 PolarHBondContact O-N 3.06Å; E37-F39 VanDerWaalsContact C-N 3.32Å; E37-F39 PolarHBondContact O-N 3.43Å; E37-E40 PolarHBondContact O-N 3.08Å; E37-C41 PolarHBondContact O-N 3.24Å; E37-C41 PolarHBondContact O-SG 3.44Å |
| 38 | R | 93.7 | Very high | 92.2 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 175.9 | -179.1 | 169.6 | 62.1 | 79.3 | -3.5 | 111.7 | S22 K23 E30 Y34 Y35 C41 E42 | S22-R38 PolarHBondContact OG-NH1 3.37Å; K23-R38 PolarHBondContact O-NH2 2.88Å; E30-R38 IonicContact OE1-CZ 3.67Å; E30-R38 IonicContact OE1-NE 2.74Å; E30-R38 PolarHBondContact OE1-NE 2.98Å; E30-R38 IonicContact OE1-NH2 3.01Å; E30-R38 IonicContact OE2-CZ 2.61Å; E30-R38 IonicContact OE2-NE 3.35Å; E30-R38 IonicContact OE2-NH2 3.83Å; E30-R38 PolarHBondContact OE2-NH2 3.4Å; Y34-R38 VanDerWaalsContact O-CB 3.31Å; Y34-R38 WeakPolarHBondContact O-CB 3.49Å; Y34-R38 PolarHBondContact O-N 3.32Å; Y35-R38 PolarHBondContact O-N 3.44Å; R38-C41 WeakPolarHBondContact O-CB 3.47Å; R38-C41 PolarHBondContact O-N 3.26Å; R38-E42 PolarHBondContact O-N 2.89Å |
| 39 | F | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 176.5 | 179.1 | -106.6 | 0 | 0 | 0 | 111.9 | Y35 I36 E37 C41 E42 L43 L61 L62 K65 Y88 | Y35-F39 HydrophobicContact CE1-CB 4.41Å; Y35-F39 WeakPolarHBondContact O-CB 3.37Å; Y35-F39 PolarHBondContact O-N 3.26Å; I36-F39 HydrophobicContact CD1-CD1 4.03Å; I36-F39 PolarHBondContact O-N 3.36Å; E37-F39 VanDerWaalsContact C-N 3.32Å; E37-F39 PolarHBondContact O-N 3.43Å; F39-C41 VanDerWaalsContact C-N 3.35Å; F39-C41 PolarHBondContact O-N 3Å; F39-E42 WeakPolarHBondContact O-CB 3.43Å; F39-E42 PolarHBondContact O-N 2.95Å; F39-L43 HydrophobicContact CD1-CD1 3.78Å; F39-L43 HydrophobicContact CD1-CG 4.29Å; F39-L43 HydrophobicContact CE1-CD1 3.38Å; F39-L43 HydrophobicContact CE1-CD2 4.29Å; F39-L43 HydrophobicContact CE1-CG 3.93Å; F39-L43 HydrophobicContact CZ-CD1 3.96Å; F39-L43 HydrophobicContact CZ-CD2 3.99Å; F39-L43 HydrophobicContact CZ-CG 4.05Å; F39-L43 WeakPolarHBondContact O-CG 3.49Å; F39-L43 PolarHBondContact O-N 3.1Å; F39-L61 HydrophobicContact CE2-CB 4.33Å; F39-L61 HydrophobicContact CZ-CB 3.78Å; F39-L62 HydrophobicContact CD1-CD1 4.11Å; F39-L62 HydrophobicContact CE1-CB 3.86Å; F39-L62 HydrophobicContact CE1-CD1 3.95Å; F39-L62 HydrophobicContact CE1-CG 4.49Å; F39-L62 HydrophobicContact CZ-CB 4.04Å; F39-L62 HydrophobicContact CZ-CD1 4.45Å; F39-K65 HydrophobicContact CD2-CB 4.46Å; F39-K65 HydrophobicContact CE2-CB 3.95Å; F39-K65 HydrophobicContact CE2-CG 4.21Å; F39-Y88 HydrophobicContact CE1-CE2 4.1Å |
| 40 | E | 95.1 | Very high | 92.8 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 23% | 0.229 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.5 | -33.5 | 176.7 | -73.4 | -174.3 | 160.3 | 0 | 0 | 112.6 | I36 E37 E42 L43 A44 R58 Y88 K92 | I36-E40 WeakPolarHBondContact O-CB 3.35Å; I36-E40 WeakPolarHBondContact O-CG 3.42Å; I36-E40 PolarHBondContact O-N 3.11Å; E37-E40 PolarHBondContact O-N 3.08Å; E40-E42 VanDerWaalsContact C-N 3.34Å; E40-E42 PolarHBondContact O-N 3.22Å; E40-L43 HydrophobicContact CG-CD1 4.45Å; E40-L43 PolarHBondContact O-N 3.46Å; E40-A44 WeakPolarHBondContact O-CB 3.32Å; E40-A44 PolarHBondContact O-N 2.88Å; E40-R58 IonicContact OE1-NH2 3.72Å; E40-R58 PolarHBondContact OE1-NH2 2.94Å; E40-Y88 WeakPolarHBondContact CG-OH 3.48Å; E40-Y88 PolarHBondContact OE1-OH 2.87Å; E40-K92 IonicContact OE1-NZ 3.57Å; E40-K92 PolarHBondContact OE1-NZ 3.36Å |
| 41 | C | 94.1 | Very high | 93 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 55% | 0.554 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 169.7 | -72.6 | 0 | 0 | 0 | 0 | 112 | E37 R38 F39 A44 V45 | E37-C41 PolarHBondContact O-N 3.24Å; E37-C41 PolarHBondContact O-SG 3.44Å; R38-C41 WeakPolarHBondContact O-CB 3.47Å; R38-C41 PolarHBondContact O-N 3.26Å; F39-C41 VanDerWaalsContact C-N 3.35Å; F39-C41 PolarHBondContact O-N 3Å; C41-A44 WeakPolarHBondContact O-CB 3.45Å; C41-A44 PolarHBondContact O-N 3.41Å; C41-V45 PolarHBondContact O-N 3.33Å |
| 42 | E | 92.7 | Very high | 93.3 | Very high | 32 Ų | 32 | 59.5 Ų | 59.5 | 15% | 0.15 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 177.4 | -169.5 | 178.2 | -152.7 | 0 | 0 | 111.3 | F20 H21 S22 R38 F39 E40 A44 V45 F46 | F20-E42 WeakPolarHBondContact CA-OE1 3.36Å; F20-E42 HydrophobicContact CD1-CG 3.64Å; F20-E42 VanDerWaalsContact CD1-OE2 3.28Å; F20-E42 WeakPolarHBondContact CD1-OE2 3.37Å; F20-E42 HydrophobicContact CE1-CB 4.35Å; F20-E42 HydrophobicContact CE1-CG 3.72Å; H21-E42 PolarHBondContact N-OE1 3.47Å; S22-E42 WeakPolarHBondContact CB-OE2 3.02Å; S22-E42 PolarHBondContact N-OE1 3.22Å; R38-E42 PolarHBondContact O-N 2.89Å; F39-E42 WeakPolarHBondContact O-CB 3.43Å; F39-E42 PolarHBondContact O-N 2.95Å; E40-E42 VanDerWaalsContact C-N 3.34Å; E40-E42 PolarHBondContact O-N 3.22Å; E42-A44 VanDerWaalsContact C-N 3.25Å; E42-A44 PolarHBondContact O-N 2.75Å; E42-V45 WeakPolarHBondContact O-CB 3.34Å; E42-V45 PolarHBondContact O-N 3.48Å; E42-V45 VanDerWaalsContact O-N 3.14Å; E42-F46 HydrophobicContact CG-CE2 3.97Å; E42-F46 WeakPolarHBondContact O-CD2 3.28Å |
| 43 | L | 94.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54.7 | -41.9 | 172.4 | -70.9 | 175.1 | 0 | 0 | 0 | 112 | F20 F39 E40 V45 F46 G47 L48 R58 L61 | F20-L43 HydrophobicContact CE1-CD2 3.92Å; F20-L43 HydrophobicContact CZ-CD2 3.98Å; F39-L43 HydrophobicContact CD1-CD1 3.78Å; F39-L43 HydrophobicContact CD1-CG 4.29Å; F39-L43 HydrophobicContact CE1-CD1 3.38Å; F39-L43 HydrophobicContact CE1-CD2 4.29Å; F39-L43 HydrophobicContact CE1-CG 3.93Å; F39-L43 HydrophobicContact CZ-CD1 3.96Å; F39-L43 HydrophobicContact CZ-CD2 3.99Å; F39-L43 HydrophobicContact CZ-CG 4.05Å; F39-L43 WeakPolarHBondContact O-CG 3.49Å; F39-L43 PolarHBondContact O-N 3.1Å; E40-L43 HydrophobicContact CG-CD1 4.45Å; E40-L43 PolarHBondContact O-N 3.46Å; L43-V45 VanDerWaalsContact C-N 3.3Å; L43-V45 PolarHBondContact O-N 3.03Å; L43-F46 CarbonylContact O-C 3.54Å; L43-F46 PolarHBondContact O-N 3.28Å; L43-G47 PolarHBondContact O-N 3.21Å; L43-L48 HydrophobicContact CB-CB 4.01Å; L43-L48 HydrophobicContact CD2-CB 4.1Å; L43-L48 HydrophobicContact CD2-CD1 3.81Å; L43-L48 WeakPolarHBondContact O-CA 3.04Å; L43-L48 WeakPolarHBondContact O-CB 3.43Å; L43-L48 PolarHBondContact O-N 3.26Å; L43-R58 HydrophobicContact CD1-CB 4.13Å; L43-R58 HydrophobicContact CD1-CG 3.83Å; L43-R58 HydrophobicContact CD2-CG 4.35Å; L43-L61 HydrophobicContact CD2-CB 4.19Å; L43-L61 HydrophobicContact CD2-CD1 3.47Å; L43-L61 VanDerWaalsContact CD2-CD1 3.47Å; L43-L61 HydrophobicContact CD2-CG 4.48Å |
| 44 | A | 93.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -32.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E40 C41 E42 F46 G47 R49 | E40-A44 WeakPolarHBondContact O-CB 3.32Å; E40-A44 PolarHBondContact O-N 2.88Å; C41-A44 WeakPolarHBondContact O-CB 3.45Å; C41-A44 PolarHBondContact O-N 3.41Å; E42-A44 VanDerWaalsContact C-N 3.25Å; E42-A44 PolarHBondContact O-N 2.75Å; A44-F46 PolarHBondContact O-N 3.07Å; A44-G47 PolarHBondContact O-N 2.84Å; A44-G47 VanDerWaalsContact O-N 3.13Å; A44-R49 HydrophobicContact CB-CG 4.13Å |
| 45 | V | 91.9 | Very high | 94.1 | Very high | 119 Ų | 119 | 57.9 Ų | 57.9 | 72% | 0.721 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.3 | -34 | 173.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | C41 E42 L43 G47 | C41-V45 PolarHBondContact O-N 3.33Å; E42-V45 WeakPolarHBondContact O-CB 3.34Å; E42-V45 PolarHBondContact O-N 3.48Å; E42-V45 VanDerWaalsContact O-N 3.14Å; L43-V45 VanDerWaalsContact C-N 3.3Å; L43-V45 PolarHBondContact O-N 3.03Å; V45-G47 VanDerWaalsContact C-N 3.31Å |
| 46 | F | 91.5 | Very high | 94.2 | Very high | 53 Ų | 53 | 60.7 Ų | 60.7 | 23% | 0.232 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 10.2 | 178.3 | -61.5 | -66.7 | 0 | 0 | 0 | 113.9 | L15 A19 F20 E42 L43 A44 L48 | L15-F46 HydrophobicContact CD2-CB 3.81Å; L15-F46 HydrophobicContact CD2-CD1 3.18Å; L15-F46 HydrophobicContact CD2-CD2 4.48Å; L15-F46 HydrophobicContact CD2-CE1 3.83Å; L15-F46 HydrophobicContact CD2-CG 3.57Å; A19-F46 HydrophobicContact CB-CE1 3.84Å; A19-F46 HydrophobicContact CB-CZ 3.64Å; F20-F46 HydrophobicContact CD1-CE2 4.22Å; F20-F46 HydrophobicContact CD2-CD2 4.35Å; F20-F46 AromaticContact CD2-CE2 3.92Å; F20-F46 HydrophobicContact CD2-CE2 3.92Å; F20-F46 HydrophobicContact CD2-CZ 4.41Å; F20-F46 AromaticContact CE1-CD2 3.8Å; F20-F46 HydrophobicContact CE1-CD2 3.8Å; F20-F46 AromaticContact CE1-CE2 3.84Å; F20-F46 HydrophobicContact CE1-CE2 3.84Å; F20-F46 AromaticContact CE2-CD2 3.5Å; F20-F46 HydrophobicContact CE2-CD2 3.5Å; F20-F46 AromaticContact CE2-CE2 3.53Å; F20-F46 HydrophobicContact CE2-CE2 3.53Å; F20-F46 HydrophobicContact CE2-CG 4.17Å; F20-F46 HydrophobicContact CE2-CZ 4.22Å; F20-F46 HydrophobicContact CG-CE2 4.23Å; F20-F46 AromaticContact CZ-CD2 3.15Å; F20-F46 HydrophobicContact CZ-CD2 3.15Å; F20-F46 AromaticContact CZ-CE2 3.47Å; F20-F46 HydrophobicContact CZ-CE2 3.47Å; F20-F46 VanDerWaalsContact CZ-CE2 3.47Å; F20-F46 HydrophobicContact CZ-CG 4.05Å; E42-F46 HydrophobicContact CG-CE2 3.97Å; E42-F46 WeakPolarHBondContact O-CD2 3.28Å; L43-F46 CarbonylContact O-C 3.54Å; L43-F46 PolarHBondContact O-N 3.28Å; A44-F46 PolarHBondContact O-N 3.07Å; F46-L48 HydrophobicContact CB-CD1 4.36Å; F46-L48 HydrophobicContact CB-CG 4.26Å; F46-L48 PolarHBondContact O-N 2.95Å |
| 47 | G | 93.8 | Very high | 94.3 | Very high | 52 Ų | 52 | 61 Ų | 61 | 54% | 0.536 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 11.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L43 A44 V45 R49 | L43-G47 PolarHBondContact O-N 3.21Å; A44-G47 PolarHBondContact O-N 2.84Å; A44-G47 VanDerWaalsContact O-N 3.13Å; V45-G47 VanDerWaalsContact C-N 3.31Å; G47-R49 PolarHBondContact O-N 2.92Å; G47-R49 VanDerWaalsContact O-N 3.16Å |
| 48 | L | 95.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | trans | -90.4 | 49.1 | -180 | -58.2 | 178 | 0 | 0 | 0 | 111.4 | L15 L43 F46 T54 A57 R58 L61 | L15-L48 HydrophobicContact CD1-CD1 4.13Å; L43-L48 HydrophobicContact CB-CB 4.01Å; L43-L48 HydrophobicContact CD2-CB 4.1Å; L43-L48 HydrophobicContact CD2-CD1 3.81Å; L43-L48 WeakPolarHBondContact O-CA 3.04Å; L43-L48 WeakPolarHBondContact O-CB 3.43Å; L43-L48 PolarHBondContact O-N 3.26Å; F46-L48 HydrophobicContact CB-CD1 4.36Å; F46-L48 HydrophobicContact CB-CG 4.26Å; F46-L48 PolarHBondContact O-N 2.95Å; L48-T54 HydrophobicContact CD2-CG2 3.99Å; L48-A57 HydrophobicContact CD1-CB 4.14Å; L48-A57 HydrophobicContact CD2-CB 3.86Å; L48-R58 HydrophobicContact CB-CG 4.13Å; L48-R58 WeakPolarHBondContact O-CD 3.44Å; L48-L61 HydrophobicContact CD1-CD1 3.33Å | ||
| 49 | R | 94.3 | Very high | 94.6 | Very high | 174 Ų | 174 | 53.5 Ų | 53.5 | 66% | 0.657 | 33% | 0.329 | S | S | * | . | trans | -67.7 | 168.3 | 173.3 | -66.7 | -172.7 | -179.8 | -80.5 | -2.2 | 110.6 | A44 G47 G51 T54 | A44-R49 HydrophobicContact CB-CG 4.13Å; G47-R49 PolarHBondContact O-N 2.92Å; G47-R49 VanDerWaalsContact O-N 3.16Å; R49-G51 PolarHBondContact O-N 2.95Å; R49-T54 WeakPolarHBondContact O-CB 3.17Å; R49-T54 PolarHBondContact O-OG1 3.36Å | ||
| 50 | D | 93 | Very high | 94.6 | Very high | 121 Ų | 121 | 57.4 Ų | 57.4 | 65% | 0.647 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -56.8 | 136 | 177.8 | -170.1 | 49.1 | 0 | 0 | 0 | 112.3 | R58 | D50-R58 IonicContact OD1-CZ 2.72Å; D50-R58 IonicContact OD1-NH1 3.89Å; D50-R58 PolarHBondContact OD1-NH1 2.88Å; D50-R58 IonicContact OD1-NH2 2.85Å |
| 51 | G | 93.5 | Very high | 94.6 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 155.2 | 151.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R49 A53 T54 E55 | R49-G51 PolarHBondContact O-N 2.95Å; G51-A53 VanDerWaalsContact C-N 3.31Å; G51-A53 PolarHBondContact O-N 3.19Å; G51-T54 PolarHBondContact O-N 3.4Å; G51-T54 PolarHBondContact O-OG1 3.16Å; G51-E55 PolarHBondContact O-N 2.91Å; G51-E55 VanDerWaalsContact O-N 3.1Å |
| 52 | A | 94.4 | Very high | 94.7 | Very high | 96 Ų | 96 | 52.5 Ų | 52.5 | 79% | 0.793 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -34.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T54 | A52-T54 VanDerWaalsContact C-N 3.28Å; A52-T54 PolarHBondContact O-N 2.88Å |
| 53 | A | 95.2 | Very high | 94.8 | Very high | 91 Ų | 91 | 51.4 Ų | 51.4 | 75% | 0.752 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -24.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G51 | G51-A53 VanDerWaalsContact C-N 3.31Å; G51-A53 PolarHBondContact O-N 3.19Å |
| 54 | T | 96.1 | Very high | 94.8 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -13.3 | -176.4 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | L48 R49 G51 A52 A57 R58 | L48-T54 HydrophobicContact CD2-CG2 3.99Å; R49-T54 WeakPolarHBondContact O-CB 3.17Å; R49-T54 PolarHBondContact O-OG1 3.36Å; G51-T54 PolarHBondContact O-N 3.4Å; G51-T54 PolarHBondContact O-OG1 3.16Å; A52-T54 VanDerWaalsContact C-N 3.28Å; A52-T54 PolarHBondContact O-N 2.88Å; T54-A57 PolarHBondContact O-N 2.9Å; T54-A57 VanDerWaalsContact O-N 3.12Å; T54-R58 WeakPolarHBondContact O-CG 3.45Å; T54-R58 PolarHBondContact O-N 3.25Å |
| 55 | E | 96.7 | Very high | 94.7 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 20% | 0.201 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -51.3 | -47.5 | -177.3 | -167.9 | -74.7 | 157.1 | 0 | 0 | 113.1 | G51 A57 R58 R59 A87 Y88 | G51-E55 PolarHBondContact O-N 2.91Å; G51-E55 VanDerWaalsContact O-N 3.1Å; E55-A57 VanDerWaalsContact C-N 3.34Å; E55-A57 PolarHBondContact O-N 3.3Å; E55-R58 PolarHBondContact O-N 3.2Å; E55-R59 WeakPolarHBondContact O-CB 3.32Å; E55-R59 PolarHBondContact O-N 2.92Å; E55-A87 WeakPolarHBondContact OE1-CA 3.28Å; E55-Y88 WeakPolarHBondContact OE1-CB 2.92Å; E55-Y88 PolarHBondContact OE1-N 3.31Å |
| 56 | P | 96.2 | Very high | 94.8 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | -179.9 | -24.8 | 35.4 | 0 | 0 | 0 | 112.1 | R59 E60 | P56-R59 PolarHBondContact O-N 3.16Å; P56-E60 WeakPolarHBondContact O-CG 3.32Å; P56-E60 PolarHBondContact O-N 3.35Å |
| 57 | A | 95.6 | Very high | 94.9 | Very high | 23 Ų | 23 | 48 Ų | 48 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L48 T54 E55 R59 E60 L61 | L48-A57 HydrophobicContact CD1-CB 4.14Å; L48-A57 HydrophobicContact CD2-CB 3.86Å; T54-A57 PolarHBondContact O-N 2.9Å; T54-A57 VanDerWaalsContact O-N 3.12Å; E55-A57 VanDerWaalsContact C-N 3.34Å; E55-A57 PolarHBondContact O-N 3.3Å; A57-R59 VanDerWaalsContact C-N 3.34Å; A57-R59 PolarHBondContact O-N 3.48Å; A57-E60 PolarHBondContact O-N 3.07Å; A57-L61 VanDerWaalsContact O-CB 3.3Å; A57-L61 WeakPolarHBondContact O-CB 3.35Å; A57-L61 WeakPolarHBondContact O-CD1 3.05Å; A57-L61 WeakPolarHBondContact O-CG 3.39Å; A57-L61 PolarHBondContact O-N 3.11Å |
| 58 | R | 96.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.7 | -67.4 | 173.2 | 66.5 | -153.2 | 13.8 | 111.5 | E40 L43 L48 D50 T54 E55 L62 Y88 | E40-R58 IonicContact OE1-NH2 3.72Å; E40-R58 PolarHBondContact OE1-NH2 2.94Å; L43-R58 HydrophobicContact CD1-CB 4.13Å; L43-R58 HydrophobicContact CD1-CG 3.83Å; L43-R58 HydrophobicContact CD2-CG 4.35Å; L48-R58 HydrophobicContact CB-CG 4.13Å; L48-R58 WeakPolarHBondContact O-CD 3.44Å; D50-R58 IonicContact OD1-CZ 2.72Å; D50-R58 IonicContact OD1-NH1 3.89Å; D50-R58 PolarHBondContact OD1-NH1 2.88Å; D50-R58 IonicContact OD1-NH2 2.85Å; T54-R58 WeakPolarHBondContact O-CG 3.45Å; T54-R58 PolarHBondContact O-N 3.25Å; E55-R58 PolarHBondContact O-N 3.2Å; R58-L62 WeakPolarHBondContact O-CB 3.34Å; R58-L62 PolarHBondContact O-N 3.27Å; R58-Y88 HydrophobicContact CB-CD2 3.77Å; R58-Y88 HydrophobicContact CB-CE2 3.83Å; R58-Y88 HydrophobicContact CB-CG 4.18Å; R58-Y88 VanDerWaalsContact CZ-CE1 3.41Å; R58-Y88 WeakPolarHBondContact O-CE2 3.26Å |
| 59 | R | 96.6 | Very high | 94.9 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60 | -54.7 | 174.3 | 173.3 | 176.9 | 67.3 | -164.2 | -2.5 | 112.5 | E55 P56 A57 L61 L62 L63 Q84 V86 L91 | E55-R59 WeakPolarHBondContact O-CB 3.32Å; E55-R59 PolarHBondContact O-N 2.92Å; P56-R59 PolarHBondContact O-N 3.16Å; A57-R59 VanDerWaalsContact C-N 3.34Å; A57-R59 PolarHBondContact O-N 3.48Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 PolarHBondContact O-N 3.27Å; R59-L62 PolarHBondContact O-N 3.09Å; R59-L62 VanDerWaalsContact O-N 3.14Å; R59-L63 HydrophobicContact CG-CD1 3.98Å; R59-L63 WeakPolarHBondContact O-CG 3.21Å; R59-L63 PolarHBondContact O-N 3.18Å; R59-Q84 PolarHBondContact NE-O 3.01Å; R59-Q84 PolarHBondContact NH1-O 3.17Å; R59-Q84 PolarHBondContact NH2-O 2.78Å; R59-V86 WeakPolarHBondContact CD-O 3.4Å; R59-V86 PolarHBondContact NH1-O 3.48Å; R59-L91 HydrophobicContact CG-CD1 3.72Å |
| 60 | E | 95.8 | Very high | 94.9 | Very high | 82 Ų | 82 | 52.4 Ų | 52.4 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | -178.3 | -67.1 | -54.2 | 146 | 0 | 0 | 111.3 | P56 A57 L63 S64 | P56-E60 WeakPolarHBondContact O-CG 3.32Å; P56-E60 PolarHBondContact O-N 3.35Å; A57-E60 PolarHBondContact O-N 3.07Å; E60-L63 PolarHBondContact O-N 3.5Å; E60-S64 WeakPolarHBondContact O-CB 3.18Å; E60-S64 PolarHBondContact O-N 3.27Å |
| 61 | L | 95.1 | Very high | 95 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 176 | -73 | 166 | 0 | 0 | 0 | 111.8 | F20 F39 L43 L48 A57 R59 S64 K65 | F20-L61 HydrophobicContact CD2-CD2 3.87Å; F20-L61 HydrophobicContact CE1-CD1 4.2Å; F20-L61 HydrophobicContact CE1-CD2 4.44Å; F20-L61 HydrophobicContact CE2-CD1 3.86Å; F20-L61 HydrophobicContact CE2-CD2 3.68Å; F20-L61 HydrophobicContact CE2-CG 4.44Å; F20-L61 HydrophobicContact CG-CD2 4.34Å; F20-L61 HydrophobicContact CZ-CD1 3.53Å; F20-L61 HydrophobicContact CZ-CD2 4Å; F20-L61 HydrophobicContact CZ-CG 4.35Å; F39-L61 HydrophobicContact CE2-CB 4.33Å; F39-L61 HydrophobicContact CZ-CB 3.78Å; L43-L61 HydrophobicContact CD2-CB 4.19Å; L43-L61 HydrophobicContact CD2-CD1 3.47Å; L43-L61 VanDerWaalsContact CD2-CD1 3.47Å; L43-L61 HydrophobicContact CD2-CG 4.48Å; L48-L61 HydrophobicContact CD1-CD1 3.33Å; A57-L61 VanDerWaalsContact O-CB 3.3Å; A57-L61 WeakPolarHBondContact O-CB 3.35Å; A57-L61 WeakPolarHBondContact O-CD1 3.05Å; A57-L61 WeakPolarHBondContact O-CG 3.39Å; A57-L61 PolarHBondContact O-N 3.11Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 PolarHBondContact O-N 3.27Å; L61-S64 PolarHBondContact O-N 3.28Å; L61-K65 WeakPolarHBondContact O-CB 3.11Å; L61-K65 WeakPolarHBondContact O-CG 3.43Å; L61-K65 PolarHBondContact O-N 2.64Å |
| 62 | L | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 176.5 | -179.3 | 61.1 | 0 | 0 | 0 | 111.2 | W32 Y35 I36 F39 R58 R59 S64 K65 V66 Y88 L91 K92 | W32-L62 HydrophobicContact CH2-CD1 4.14Å; Y35-L62 HydrophobicContact CE1-CD1 4.35Å; I36-L62 HydrophobicContact CD1-CD1 4.09Å; F39-L62 HydrophobicContact CD1-CD1 4.11Å; F39-L62 HydrophobicContact CE1-CB 3.86Å; F39-L62 HydrophobicContact CE1-CD1 3.95Å; F39-L62 HydrophobicContact CE1-CG 4.49Å; F39-L62 HydrophobicContact CZ-CB 4.04Å; F39-L62 HydrophobicContact CZ-CD1 4.45Å; R58-L62 WeakPolarHBondContact O-CB 3.34Å; R58-L62 PolarHBondContact O-N 3.27Å; R59-L62 PolarHBondContact O-N 3.09Å; R59-L62 VanDerWaalsContact O-N 3.14Å; L62-S64 VanDerWaalsContact C-N 3.25Å; L62-S64 PolarHBondContact O-N 2.71Å; L62-K65 PolarHBondContact O-N 2.96Å; L62-V66 HydrophobicContact CD1-CB 4.47Å; L62-V66 VanDerWaalsContact O-CB 3.26Å; L62-V66 WeakPolarHBondContact O-CB 3.22Å; L62-V66 PolarHBondContact O-N 3.41Å; L62-Y88 HydrophobicContact CB-CD2 4.29Å; L62-Y88 HydrophobicContact CB-CE2 3.87Å; L62-Y88 HydrophobicContact CD2-CD2 3.99Å; L62-Y88 HydrophobicContact CD2-CE2 3.69Å; L62-Y88 HydrophobicContact CG-CE2 4.32Å; L62-L91 HydrophobicContact CD2-CB 4.02Å; L62-L91 HydrophobicContact CD2-CD1 4.49Å; L62-K92 HydrophobicContact CD2-CG 4.15Å |
| 63 | L | 95.9 | Very high | 95.1 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -39 | 177.5 | -70.8 | 172.5 | 0 | 0 | 0 | 111.9 | R59 E60 F71 L74 I83 L91 | R59-L63 HydrophobicContact CG-CD1 3.98Å; R59-L63 WeakPolarHBondContact O-CG 3.21Å; R59-L63 PolarHBondContact O-N 3.18Å; E60-L63 PolarHBondContact O-N 3.5Å; L63-F71 HydrophobicContact CB-CD2 4.14Å; L63-F71 HydrophobicContact CB-CE2 4.08Å; L63-F71 HydrophobicContact CD2-CD2 4.09Å; L63-F71 HydrophobicContact CD2-CE2 4.14Å; L63-F71 WeakPolarHBondContact O-CD2 3.45Å; L63-L74 HydrophobicContact CD2-CD1 3.81Å; L63-I83 HydrophobicContact CD1-CG1 4.18Å; L63-I83 HydrophobicContact CD1-CG2 4.14Å; L63-I83 HydrophobicContact CD2-CD1 4.47Å; L63-I83 HydrophobicContact CD2-CG1 3.53Å; L63-I83 HydrophobicContact CD2-CG2 4.5Å; L63-L91 HydrophobicContact CD1-CD1 4.26Å; L63-L91 HydrophobicContact CD2-CD1 3.84Å; L63-L91 HydrophobicContact CD2-CD2 4.3Å; L63-L91 HydrophobicContact CG-CD1 3.88Å |
| 64 | S | 93.1 | Very high | 95.2 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 55% | 0.552 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -70.1 | -38.8 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | E60 L61 L62 | E60-S64 WeakPolarHBondContact O-CB 3.18Å; E60-S64 PolarHBondContact O-N 3.27Å; L61-S64 PolarHBondContact O-N 3.28Å; L62-S64 VanDerWaalsContact C-N 3.25Å; L62-S64 PolarHBondContact O-N 2.71Å |
| 65 | K | 93.3 | Very high | 95.2 | Very high | 33 Ų | 33 | 51 Ų | 51 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -102.4 | -9.7 | -167.7 | -63.7 | -71.6 | 173.5 | 170.9 | 0 | 114.9 | F20 F24 Y35 F39 L61 L62 G67 | F20-K65 HydrophobicContact CB-CD 4.17Å; F20-K65 PolarHBondContact O-NZ 2.75Å; F24-K65 VanDerWaalsContact CD1-O 3.28Å; F24-K65 WeakPolarHBondContact CD1-O 3.4Å; Y35-K65 PolarHBondContact OH-O 3.21Å; F39-K65 HydrophobicContact CD2-CB 4.46Å; F39-K65 HydrophobicContact CE2-CB 3.95Å; F39-K65 HydrophobicContact CE2-CG 4.21Å; L61-K65 WeakPolarHBondContact O-CB 3.11Å; L61-K65 WeakPolarHBondContact O-CG 3.43Å; L61-K65 PolarHBondContact O-N 2.64Å; L62-K65 PolarHBondContact O-N 2.96Å; K65-G67 VanDerWaalsContact C-N 3.26Å; K65-G67 PolarHBondContact O-N 3.36Å |
| 66 | V | 93.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -66.5 | -33.2 | 177.7 | 72.6 | 0 | 0 | 0 | 0 | 111.2 | F25 W32 Y35 L62 H70 F71 I95 | F25-V66 HydrophobicContact CB-CG2 4.4Å; F25-V66 WeakPolarHBondContact CB-O 3.33Å; F25-V66 PolarHBondContact N-O 2.74Å; F25-V66 VanDerWaalsContact N-O 3.15Å; W32-V66 HydrophobicContact CH2-CG2 4.35Å; W32-V66 HydrophobicContact CZ3-CG2 4.06Å; Y35-V66 WeakPolarHBondContact OH-CA 3.32Å; Y35-V66 PolarHBondContact OH-N 2.84Å; L62-V66 HydrophobicContact CD1-CB 4.47Å; L62-V66 VanDerWaalsContact O-CB 3.26Å; L62-V66 WeakPolarHBondContact O-CB 3.22Å; L62-V66 PolarHBondContact O-N 3.41Å; V66-H70 HydrophobicContact CB-CB 4.33Å; V66-H70 HydrophobicContact CG1-CB 4.02Å; V66-H70 HydrophobicContact CG2-CB 3.5Å; V66-H70 PolarHBondContact O-CD2 3.34Å; V66-F71 HydrophobicContact CG1-CB 4.21Å; V66-I95 HydrophobicContact CG2-CD1 3.59Å |
| 67 | G | 93.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | trans | 105.6 | 155.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K65 Q69 H70 F71 | K65-G67 VanDerWaalsContact C-N 3.26Å; K65-G67 PolarHBondContact O-N 3.36Å; G67-Q69 VanDerWaalsContact C-N 3.34Å; G67-Q69 PolarHBondContact O-N 2.93Å; G67-H70 PolarHBondContact O-N 3.32Å; G67-H70 VanDerWaalsContact O-N 3.17Å; G67-F71 WeakPolarHBondContact O-CB 3.22Å; G67-F71 PolarHBondContact O-N 2.93Å | ||
| 68 | K | 94.4 | Very high | 95.2 | Very high | 193 Ų | 193 | 55.3 Ų | 55.3 | 84% | 0.839 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -54.9 | -40.8 | -166.4 | 62.8 | -177 | 178.4 | -178.7 | 0 | 115.1 | R72 | K68-R72 PolarHBondContact O-N 2.95Å; K68-R72 VanDerWaalsContact O-N 3.15Å |
| 69 | Q | 93.6 | Very high | 95.1 | Very high | 129 Ų | 129 | 61.1 Ų | 61.1 | 60% | 0.603 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.7 | -42.8 | -177.4 | 178 | 177.3 | -15.6 | 0 | 0 | 111.1 | G67 R72 L73 | G67-Q69 VanDerWaalsContact C-N 3.34Å; G67-Q69 PolarHBondContact O-N 2.93Å; Q69-R72 PolarHBondContact O-N 3.23Å; Q69-L73 PolarHBondContact O-N 2.61Å; Q69-L73 VanDerWaalsContact O-N 3.1Å |
| 70 | H | 94.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.028 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -79.1 | -33 | -176.8 | -49 | -42.1 | 0 | 0 | 0 | 111.7 | F25 V66 G67 L73 L74 Y99 | F25-H70 AromaticContact CD1-CD2 3.39Å; F25-H70 WeakPolarHBondContact CD1-CD2 3.45Å; F25-H70 AromaticContact CD1-CE1 3.98Å; F25-H70 AromaticContact CD1-CG 4Å; F25-H70 AromaticContact CD1-NE2 3.39Å; F25-H70 WeakPolarHBondContact CD1-NE2 3.46Å; F25-H70 PolarHBondContact O-NE2 3.45Å; V66-H70 HydrophobicContact CB-CB 4.33Å; V66-H70 HydrophobicContact CG1-CB 4.02Å; V66-H70 HydrophobicContact CG2-CB 3.5Å; V66-H70 PolarHBondContact O-CD2 3.34Å; G67-H70 PolarHBondContact O-N 3.32Å; G67-H70 VanDerWaalsContact O-N 3.17Å; H70-L73 WeakPolarHBondContact O-CB 3.28Å; H70-L73 PolarHBondContact O-N 3.01Å; H70-L74 WeakPolarHBondContact O-CG 3.29Å; H70-L74 PolarHBondContact O-N 3.12Å; H70-Y99 AromaticContact CE1-CZ 3.64Å; H70-Y99 PolarHBondContact CE1-OH 3.41Å; H70-Y99 AromaticContact ND1-CE2 3.88Å; H70-Y99 AromaticContact ND1-CZ 3.63Å; H70-Y99 PolarHBondContact ND1-OH 2.99Å |
| 71 | F | 95.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 67.2 Ų | 67.2 | 34% | 0.342 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 169.1 | 179.8 | -94.1 | 0 | 0 | 0 | 111.3 | L63 V66 G67 L73 L74 V75 I83 | L63-F71 HydrophobicContact CB-CD2 4.14Å; L63-F71 HydrophobicContact CB-CE2 4.08Å; L63-F71 HydrophobicContact CD2-CD2 4.09Å; L63-F71 HydrophobicContact CD2-CE2 4.14Å; L63-F71 WeakPolarHBondContact O-CD2 3.45Å; V66-F71 HydrophobicContact CG1-CB 4.21Å; G67-F71 WeakPolarHBondContact O-CB 3.22Å; G67-F71 PolarHBondContact O-N 2.93Å; F71-L73 VanDerWaalsContact C-N 3.35Å; F71-L73 PolarHBondContact O-N 3.2Å; F71-L74 PolarHBondContact O-N 2.74Å; F71-V75 HydrophobicContact CD1-CG2 4.12Å; F71-V75 HydrophobicContact CE1-CG2 3.65Å; F71-V75 HydrophobicContact CE2-CG2 4.28Å; F71-V75 HydrophobicContact CZ-CG2 3.74Å; F71-V75 WeakPolarHBondContact O-CG2 3.21Å; F71-V75 PolarHBondContact O-N 3.47Å; F71-I83 HydrophobicContact CE2-CG2 4.43Å; F71-I83 HydrophobicContact CZ-CG2 4.49Å |
| 72 | R | 96.1 | Very high | 95.2 | Very high | 175 Ų | 175 | 67.9 Ų | 67.9 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.5 | -46 | 175.1 | 178.9 | 177.7 | 177.7 | 171.9 | 0.3 | 111.7 | K68 Q69 L74 V75 D76 | K68-R72 PolarHBondContact O-N 2.95Å; K68-R72 VanDerWaalsContact O-N 3.15Å; Q69-R72 PolarHBondContact O-N 3.23Å; R72-L74 VanDerWaalsContact C-N 3.31Å; R72-L74 PolarHBondContact O-N 3.47Å; R72-V75 PolarHBondContact O-N 3.39Å; R72-D76 WeakPolarHBondContact CG-OD2 3.44Å; R72-D76 IonicContact NE-OD2 3.7Å; R72-D76 WeakPolarHBondContact O-CB 3.43Å; R72-D76 PolarHBondContact O-N 2.76Å |
| 73 | L | 94.3 | Very high | 95.2 | Very high | 44 Ų | 44 | 68.3 Ų | 68.3 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.2 | -47.4 | 176.8 | 178.1 | 158.9 | 0 | 0 | 0 | 111.3 | Q69 H70 F71 D76 H77 N98 | Q69-L73 PolarHBondContact O-N 2.61Å; Q69-L73 VanDerWaalsContact O-N 3.1Å; H70-L73 WeakPolarHBondContact O-CB 3.28Å; H70-L73 PolarHBondContact O-N 3.01Å; F71-L73 VanDerWaalsContact C-N 3.35Å; F71-L73 PolarHBondContact O-N 3.2Å; L73-D76 PolarHBondContact O-N 3.12Å; L73-H77 VanDerWaalsContact O-CB 3.23Å; L73-H77 WeakPolarHBondContact O-CB 3.43Å; L73-H77 PolarHBondContact O-N 3.31Å; L73-N98 HydrophobicContact CD1-CB 4.17Å |
| 74 | L | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 178 | -80.2 | 177.5 | 0 | 0 | 0 | 112.3 | L63 H70 F71 R72 D76 H77 F78 I83 L91 A94 I95 | L63-L74 HydrophobicContact CD2-CD1 3.81Å; H70-L74 WeakPolarHBondContact O-CG 3.29Å; H70-L74 PolarHBondContact O-N 3.12Å; F71-L74 PolarHBondContact O-N 2.74Å; R72-L74 VanDerWaalsContact C-N 3.31Å; R72-L74 PolarHBondContact O-N 3.47Å; L74-D76 VanDerWaalsContact C-N 3.32Å; L74-D76 PolarHBondContact O-N 3.43Å; L74-H77 PolarHBondContact O-N 2.94Å; L74-F78 HydrophobicContact CD2-CD2 4.32Å; L74-F78 HydrophobicContact CD2-CE2 3.88Å; L74-F78 WeakPolarHBondContact O-CD2 3.48Å; L74-F78 PolarHBondContact O-N 3.33Å; L74-I83 HydrophobicContact CB-CD1 3.96Å; L74-I83 HydrophobicContact CB-CG1 4.43Å; L74-L91 HydrophobicContact CD1-CD2 4.11Å; L74-L91 HydrophobicContact CD2-CB 4.38Å; L74-L91 HydrophobicContact CD2-CD2 3.83Å; L74-L91 HydrophobicContact CG-CD2 4.45Å; L74-A94 HydrophobicContact CD2-CB 3.88Å; L74-I95 HydrophobicContact CD1-CD1 3.78Å; L74-I95 HydrophobicContact CD1-CG1 4.2Å; L74-I95 HydrophobicContact CD2-CD1 4.32Å; L74-I95 HydrophobicContact CD2-CG1 3.89Å; L74-I95 HydrophobicContact CG-CD1 4.17Å; L74-I95 HydrophobicContact CG-CG1 4.02Å |
| 75 | V | 97 | Very high | 95.2 | Very high | 37 Ų | 37 | 73.7 Ų | 73.7 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 178.7 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | F71 R72 K79 I83 | F71-V75 HydrophobicContact CD1-CG2 4.12Å; F71-V75 HydrophobicContact CE1-CG2 3.65Å; F71-V75 HydrophobicContact CE2-CG2 4.28Å; F71-V75 HydrophobicContact CZ-CG2 3.74Å; F71-V75 WeakPolarHBondContact O-CG2 3.21Å; F71-V75 PolarHBondContact O-N 3.47Å; R72-V75 PolarHBondContact O-N 3.39Å; V75-K79 WeakPolarHBondContact O-CG 3.35Å; V75-K79 PolarHBondContact O-N 2.95Å; V75-I83 HydrophobicContact CG2-CB 4.14Å; V75-I83 HydrophobicContact CG2-CG1 4.34Å; V75-I83 HydrophobicContact CG2-CG2 4.01Å |
| 76 | D | 96.2 | Very high | 95.4 | Very high | 79 Ų | 79 | 72.1 Ų | 72.1 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.5 | -34.6 | 179.5 | -71.1 | -24.1 | 0 | 0 | 0 | 111.9 | R72 L73 L74 K79 | R72-D76 WeakPolarHBondContact CG-OD2 3.44Å; R72-D76 IonicContact NE-OD2 3.7Å; R72-D76 WeakPolarHBondContact O-CB 3.43Å; R72-D76 PolarHBondContact O-N 2.76Å; L73-D76 PolarHBondContact O-N 3.12Å; L74-D76 VanDerWaalsContact C-N 3.32Å; L74-D76 PolarHBondContact O-N 3.43Å; D76-K79 IonicContact OD1-NZ 2.8Å; D76-K79 PolarHBondContact OD1-NZ 3.03Å |
| 77 | H | 95.2 | Very high | 95.5 | Very high | 115 Ų | 115 | 73.9 Ų | 73.9 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.5 | -40 | 178.1 | -175.8 | 75.7 | 0 | 0 | 0 | 113.5 | L73 L74 | L73-H77 VanDerWaalsContact O-CB 3.23Å; L73-H77 WeakPolarHBondContact O-CB 3.43Å; L73-H77 PolarHBondContact O-N 3.31Å; L74-H77 PolarHBondContact O-N 2.94Å |
| 78 | F | 96.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 73.5 Ų | 73.5 | 10% | 0.096 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -94 | -4.8 | -173.2 | -76 | -75.5 | 0 | 0 | 0 | 114.9 | L74 R81 I83 V86 E90 L91 A94 | L74-F78 HydrophobicContact CD2-CD2 4.32Å; L74-F78 HydrophobicContact CD2-CE2 3.88Å; L74-F78 WeakPolarHBondContact O-CD2 3.48Å; L74-F78 PolarHBondContact O-N 3.33Å; F78-R81 WeakPolarHBondContact O-CA 3.45Å; F78-R81 VanDerWaalsContact O-CB 3.26Å; F78-R81 WeakPolarHBondContact O-CB 3.2Å; F78-R81 PolarHBondContact O-N 3.44Å; F78-I83 HydrophobicContact CB-CD1 3.96Å; F78-I83 HydrophobicContact CD2-CD1 3.53Å; F78-I83 HydrophobicContact CE2-CD1 4.4Å; F78-I83 HydrophobicContact CG-CD1 4.05Å; F78-V86 HydrophobicContact CB-CG2 3.84Å; F78-V86 HydrophobicContact CD1-CB 4.42Å; F78-V86 HydrophobicContact CD1-CG1 3.83Å; F78-V86 HydrophobicContact CD1-CG2 3.64Å; F78-V86 HydrophobicContact CD2-CG1 4.14Å; F78-V86 HydrophobicContact CD2-CG2 4.2Å; F78-V86 HydrophobicContact CE1-CG1 3.52Å; F78-V86 HydrophobicContact CE1-CG2 4.22Å; F78-V86 HydrophobicContact CE2-CG1 3.86Å; F78-V86 HydrophobicContact CG-CB 4.48Å; F78-V86 HydrophobicContact CG-CG1 4.13Å; F78-V86 HydrophobicContact CG-CG2 3.63Å; F78-V86 HydrophobicContact CZ-CG1 3.54Å; F78-E90 HydrophobicContact CE1-CB 4.38Å; F78-E90 HydrophobicContact CZ-CB 4.15Å; F78-L91 HydrophobicContact CD2-CD2 4.18Å; F78-L91 HydrophobicContact CE2-CD2 3.86Å; F78-A94 HydrophobicContact CE2-CB 3.61Å; F78-A94 HydrophobicContact CZ-CB 3.8Å |
| 79 | K | 95.4 | Very high | 95.8 | Very high | 129 Ų | 129 | 68.5 Ų | 68.5 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 138.7 | 174.2 | -88.1 | 166.8 | -173.8 | 163.4 | 0 | 111.3 | V75 D76 | V75-K79 WeakPolarHBondContact O-CG 3.35Å; V75-K79 PolarHBondContact O-N 2.95Å; D76-K79 IonicContact OD1-NZ 2.8Å; D76-K79 PolarHBondContact OD1-NZ 3.03Å |
| 80 | P | 96.2 | Very high | 95.9 | Very high | 133 Ų | 133 | 65.9 Ų | 65.9 | 86% | 0.864 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.1 | 3.7 | 7.6 | 36 | -37.1 | 0 | 0 | 0 | 115.2 | ||
| 81 | R | 96.8 | Very high | 96.1 | Very high | 113 Ų | 113 | 65.6 Ų | 65.6 | 43% | 0.426 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -63 | 140.6 | 176.2 | -63.1 | 169.2 | 63.8 | -169.6 | -1.6 | 109.4 | F78 E90 | F78-R81 WeakPolarHBondContact O-CA 3.45Å; F78-R81 VanDerWaalsContact O-CB 3.26Å; F78-R81 WeakPolarHBondContact O-CB 3.2Å; F78-R81 PolarHBondContact O-N 3.44Å; R81-E90 IonicContact CZ-OE2 3.67Å; R81-E90 IonicContact NH1-OE1 3.86Å; R81-E90 IonicContact NH1-OE2 2.85Å; R81-E90 PolarHBondContact NH1-OE2 3.23Å; R81-E90 IonicContact NH2-OE1 3.15Å; R81-E90 PolarHBondContact NH2-OE1 3.47Å; R81-E90 VanDerWaalsContact NH2-OE1 3.15Å; R81-E90 IonicContact NH2-OE2 3.54Å |
| 82 | A | 95.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 63.9 Ų | 63.9 | 35% | 0.347 | 32% | 0.321 | S | S | . | . | trans | -67 | 136.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q84 D85 | A82-Q84 PolarHBondContact O-N 3.19Å; A82-D85 WeakPolarHBondContact CB-OD2 3.44Å; A82-D85 WeakPolarHBondContact O-CB 3.45Å; A82-D85 PolarHBondContact O-N 3.47Å | ||
| 83 | I | 95.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -65.8 | -25.1 | -175.6 | -162.8 | 64.4 | 0 | 0 | 0 | 112.1 | L63 F71 L74 V75 F78 D85 V86 L91 | L63-I83 HydrophobicContact CD1-CG1 4.18Å; L63-I83 HydrophobicContact CD1-CG2 4.14Å; L63-I83 HydrophobicContact CD2-CD1 4.47Å; L63-I83 HydrophobicContact CD2-CG1 3.53Å; L63-I83 HydrophobicContact CD2-CG2 4.5Å; F71-I83 HydrophobicContact CE2-CG2 4.43Å; F71-I83 HydrophobicContact CZ-CG2 4.49Å; L74-I83 HydrophobicContact CB-CD1 3.96Å; L74-I83 HydrophobicContact CB-CG1 4.43Å; V75-I83 HydrophobicContact CG2-CB 4.14Å; V75-I83 HydrophobicContact CG2-CG1 4.34Å; V75-I83 HydrophobicContact CG2-CG2 4.01Å; F78-I83 HydrophobicContact CB-CD1 3.96Å; F78-I83 HydrophobicContact CD2-CD1 3.53Å; F78-I83 HydrophobicContact CE2-CD1 4.4Å; F78-I83 HydrophobicContact CG-CD1 4.05Å; I83-D85 PolarHBondContact O-N 2.89Å; I83-V86 HydrophobicContact CD1-CB 4.45Å; I83-V86 HydrophobicContact CD1-CG2 4.15Å; I83-V86 PolarHBondContact O-N 2.99Å; I83-L91 HydrophobicContact CD1-CD2 3.48Å; I83-L91 VanDerWaalsContact CD1-CD2 3.48Å; I83-L91 HydrophobicContact CG1-CD2 4.07Å |
| 84 | Q | 94.3 | Very high | 95.8 | Very high | 87 Ų | 87 | 56.5 Ų | 56.5 | 41% | 0.407 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -72.4 | -5.1 | 173.1 | -55.7 | 82.3 | 9.6 | 0 | 0 | 113.2 | R59 A82 | R59-Q84 PolarHBondContact NE-O 3.01Å; R59-Q84 PolarHBondContact NH1-O 3.17Å; R59-Q84 PolarHBondContact NH2-O 2.78Å; A82-Q84 PolarHBondContact O-N 3.19Å |
| 85 | D | 95.2 | Very high | 95.6 | Very high | 114 Ų | 114 | 56.5 Ų | 56.5 | 61% | 0.61 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -107.5 | -0.7 | 176 | -62.2 | -32.4 | 0 | 0 | 0 | 112.3 | A82 I83 | A82-D85 WeakPolarHBondContact CB-OD2 3.44Å; A82-D85 WeakPolarHBondContact O-CB 3.45Å; A82-D85 PolarHBondContact O-N 3.47Å; I83-D85 PolarHBondContact O-N 2.89Å |
| 86 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -86.5 | 136 | 178.4 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | R59 F78 I83 E90 L91 | R59-V86 WeakPolarHBondContact CD-O 3.4Å; R59-V86 PolarHBondContact NH1-O 3.48Å; F78-V86 HydrophobicContact CB-CG2 3.84Å; F78-V86 HydrophobicContact CD1-CB 4.42Å; F78-V86 HydrophobicContact CD1-CG1 3.83Å; F78-V86 HydrophobicContact CD1-CG2 3.64Å; F78-V86 HydrophobicContact CD2-CG1 4.14Å; F78-V86 HydrophobicContact CD2-CG2 4.2Å; F78-V86 HydrophobicContact CE1-CG1 3.52Å; F78-V86 HydrophobicContact CE1-CG2 4.22Å; F78-V86 HydrophobicContact CE2-CG1 3.86Å; F78-V86 HydrophobicContact CG-CB 4.48Å; F78-V86 HydrophobicContact CG-CG1 4.13Å; F78-V86 HydrophobicContact CG-CG2 3.63Å; F78-V86 HydrophobicContact CZ-CG1 3.54Å; I83-V86 HydrophobicContact CD1-CB 4.45Å; I83-V86 HydrophobicContact CD1-CG2 4.15Å; I83-V86 PolarHBondContact O-N 2.99Å; V86-E90 HydrophobicContact CG1-CB 3.56Å; V86-E90 HydrophobicContact CG1-CG 4.46Å; V86-L91 HydrophobicContact CB-CD2 3.93Å; V86-L91 HydrophobicContact CB-CG 4.38Å; V86-L91 HydrophobicContact CG1-CD2 3.61Å; V86-L91 HydrophobicContact CG1-CG 3.95Å |
| 87 | A | 97.2 | Very high | 94.8 | Very high | 36 Ų | 36 | 58.2 Ų | 58.2 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | trans | -66.9 | 148.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E55 D89 E90 L91 | E55-A87 WeakPolarHBondContact OE1-CA 3.28Å; A87-D89 VanDerWaalsContact C-N 3.27Å; A87-D89 PolarHBondContact O-N 3.21Å; A87-E90 HydrophobicContact CB-CB 4.39Å; A87-E90 HydrophobicContact CB-CG 4.14Å; A87-E90 PolarHBondContact N-OE1 3.22Å; A87-E90 WeakPolarHBondContact O-CA 3.48Å; A87-E90 WeakPolarHBondContact O-CB 3.46Å; A87-E90 PolarHBondContact O-N 3.04Å; A87-L91 PolarHBondContact O-N 3.41Å | ||
| 88 | Y | 97.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -50.2 | -45.9 | 177.6 | 177.9 | -103.9 | 0 | 0 | 0 | 112.6 | F39 E40 E55 R58 L62 L91 K92 | F39-Y88 HydrophobicContact CE1-CE2 4.1Å; E40-Y88 WeakPolarHBondContact CG-OH 3.48Å; E40-Y88 PolarHBondContact OE1-OH 2.87Å; E55-Y88 WeakPolarHBondContact OE1-CB 2.92Å; E55-Y88 PolarHBondContact OE1-N 3.31Å; R58-Y88 HydrophobicContact CB-CD2 3.77Å; R58-Y88 HydrophobicContact CB-CE2 3.83Å; R58-Y88 HydrophobicContact CB-CG 4.18Å; R58-Y88 VanDerWaalsContact CZ-CE1 3.41Å; R58-Y88 WeakPolarHBondContact O-CE2 3.26Å; L62-Y88 HydrophobicContact CB-CD2 4.29Å; L62-Y88 HydrophobicContact CB-CE2 3.87Å; L62-Y88 HydrophobicContact CD2-CD2 3.99Å; L62-Y88 HydrophobicContact CD2-CE2 3.69Å; L62-Y88 HydrophobicContact CG-CE2 4.32Å; Y88-L91 WeakPolarHBondContact O-CB 3.44Å; Y88-L91 PolarHBondContact O-N 3.35Å; Y88-K92 HydrophobicContact CD1-CD 4.21Å; Y88-K92 HydrophobicContact CE1-CD 3.53Å; Y88-K92 HydrophobicContact CE1-CG 4.12Å; Y88-K92 PolarHBondContact O-N 3.34Å |
| 89 | D | 96 | Very high | 93.7 | Very high | 88 Ų | 88 | 58.8 Ų | 58.8 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70 | -32.7 | 178.8 | -67.1 | -38.3 | 0 | 0 | 0 | 112.7 | A87 L91 K92 A93 | A87-D89 VanDerWaalsContact C-N 3.27Å; A87-D89 PolarHBondContact O-N 3.21Å; D89-L91 VanDerWaalsContact C-N 3.34Å; D89-K92 PolarHBondContact O-N 3.11Å; D89-K92 WeakPolarHBondContact OD1-CE 3.12Å; D89-K92 IonicContact OD1-NZ 2.84Å; D89-K92 PolarHBondContact OD1-NZ 3.16Å; D89-A93 VanDerWaalsContact O-CB 3.32Å; D89-A93 WeakPolarHBondContact O-CB 3.49Å; D89-A93 PolarHBondContact O-N 2.94Å |
| 90 | E | 96.1 | Very high | 92.4 | Very high | 75 Ų | 75 | 54.5 Ų | 54.5 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 171.6 | -72.9 | -177.4 | -94.4 | 0 | 0 | 110.7 | F78 R81 V86 A87 A93 A94 | F78-E90 HydrophobicContact CE1-CB 4.38Å; F78-E90 HydrophobicContact CZ-CB 4.15Å; R81-E90 IonicContact CZ-OE2 3.67Å; R81-E90 IonicContact NH1-OE1 3.86Å; R81-E90 IonicContact NH1-OE2 2.85Å; R81-E90 PolarHBondContact NH1-OE2 3.23Å; R81-E90 IonicContact NH2-OE1 3.15Å; R81-E90 PolarHBondContact NH2-OE1 3.47Å; R81-E90 VanDerWaalsContact NH2-OE1 3.15Å; R81-E90 IonicContact NH2-OE2 3.54Å; V86-E90 HydrophobicContact CG1-CB 3.56Å; V86-E90 HydrophobicContact CG1-CG 4.46Å; A87-E90 HydrophobicContact CB-CB 4.39Å; A87-E90 HydrophobicContact CB-CG 4.14Å; A87-E90 PolarHBondContact N-OE1 3.22Å; A87-E90 WeakPolarHBondContact O-CA 3.48Å; A87-E90 WeakPolarHBondContact O-CB 3.46Å; A87-E90 PolarHBondContact O-N 3.04Å; E90-A93 PolarHBondContact O-N 3.28Å; E90-A94 WeakPolarHBondContact O-CB 3.3Å; E90-A94 PolarHBondContact O-N 3.12Å |
| 91 | L | 97 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 175.8 | -62.3 | 178.6 | 0 | 0 | 0 | 111.7 | R59 L62 L63 L74 F78 I83 V86 A87 Y88 D89 A93 A94 I95 | R59-L91 HydrophobicContact CG-CD1 3.72Å; L62-L91 HydrophobicContact CD2-CB 4.02Å; L62-L91 HydrophobicContact CD2-CD1 4.49Å; L63-L91 HydrophobicContact CD1-CD1 4.26Å; L63-L91 HydrophobicContact CD2-CD1 3.84Å; L63-L91 HydrophobicContact CD2-CD2 4.3Å; L63-L91 HydrophobicContact CG-CD1 3.88Å; L74-L91 HydrophobicContact CD1-CD2 4.11Å; L74-L91 HydrophobicContact CD2-CB 4.38Å; L74-L91 HydrophobicContact CD2-CD2 3.83Å; L74-L91 HydrophobicContact CG-CD2 4.45Å; F78-L91 HydrophobicContact CD2-CD2 4.18Å; F78-L91 HydrophobicContact CE2-CD2 3.86Å; I83-L91 HydrophobicContact CD1-CD2 3.48Å; I83-L91 VanDerWaalsContact CD1-CD2 3.48Å; I83-L91 HydrophobicContact CG1-CD2 4.07Å; V86-L91 HydrophobicContact CB-CD2 3.93Å; V86-L91 HydrophobicContact CB-CG 4.38Å; V86-L91 HydrophobicContact CG1-CD2 3.61Å; V86-L91 HydrophobicContact CG1-CG 3.95Å; A87-L91 PolarHBondContact O-N 3.41Å; Y88-L91 WeakPolarHBondContact O-CB 3.44Å; Y88-L91 PolarHBondContact O-N 3.35Å; D89-L91 VanDerWaalsContact C-N 3.34Å; L91-A93 VanDerWaalsContact C-N 3.31Å; L91-A93 PolarHBondContact O-N 3.04Å; L91-A94 PolarHBondContact O-N 2.95Å; L91-I95 PolarHBondContact O-N 3.49Å; L91-I95 VanDerWaalsContact O-N 3.11Å |
| 92 | K | 95.5 | Very high | 89.2 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 175.5 | -73.9 | -166.6 | -66.3 | -177.3 | 0 | 111.2 | W32 I36 E40 L62 Y88 D89 I95 N96 | W32-K92 HydrophobicContact CZ2-CG 4.47Å; W32-K92 PolarHBondContact NE1-O 3.24Å; I36-K92 HydrophobicContact CD1-CD 3.71Å; I36-K92 HydrophobicContact CD1-CG 3.83Å; I36-K92 HydrophobicContact CG1-CD 3.5Å; I36-K92 VanDerWaalsContact CG1-CD 3.5Å; I36-K92 HydrophobicContact CG1-CG 4.01Å; E40-K92 IonicContact OE1-NZ 3.57Å; E40-K92 PolarHBondContact OE1-NZ 3.36Å; L62-K92 HydrophobicContact CD2-CG 4.15Å; Y88-K92 HydrophobicContact CD1-CD 4.21Å; Y88-K92 HydrophobicContact CE1-CD 3.53Å; Y88-K92 HydrophobicContact CE1-CG 4.12Å; Y88-K92 PolarHBondContact O-N 3.34Å; D89-K92 PolarHBondContact O-N 3.11Å; D89-K92 WeakPolarHBondContact OD1-CE 3.12Å; D89-K92 IonicContact OD1-NZ 2.84Å; D89-K92 PolarHBondContact OD1-NZ 3.16Å; K92-I95 PolarHBondContact O-N 3.17Å; K92-N96 VanDerWaalsContact O-CB 3.24Å; K92-N96 WeakPolarHBondContact O-CB 3.32Å; K92-N96 PolarHBondContact O-N 2.94Å |
| 93 | A | 92.4 | Very high | 87.9 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | D89 E90 L91 N96 A97 | D89-A93 VanDerWaalsContact O-CB 3.32Å; D89-A93 WeakPolarHBondContact O-CB 3.49Å; D89-A93 PolarHBondContact O-N 2.94Å; E90-A93 PolarHBondContact O-N 3.28Å; L91-A93 VanDerWaalsContact C-N 3.31Å; L91-A93 PolarHBondContact O-N 3.04Å; A93-N96 PolarHBondContact O-N 3.22Å; A93-A97 WeakPolarHBondContact O-CB 3.41Å; A93-A97 PolarHBondContact O-N 3.32Å |
| 94 | A | 93 | Very high | 87.3 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L74 F78 E90 L91 A97 N98 | L74-A94 HydrophobicContact CD2-CB 3.88Å; F78-A94 HydrophobicContact CE2-CB 3.61Å; F78-A94 HydrophobicContact CZ-CB 3.8Å; E90-A94 WeakPolarHBondContact O-CB 3.3Å; E90-A94 PolarHBondContact O-N 3.12Å; L91-A94 PolarHBondContact O-N 2.95Å; A94-A97 PolarHBondContact O-N 3.5Å; A94-N98 PolarHBondContact O-ND2 3.26Å |
| 95 | I | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 175 | -64.1 | 166.9 | 0 | 0 | 0 | 109.9 | F25 W32 V66 L74 L91 K92 A97 N98 Y99 | F25-I95 HydrophobicContact CE1-CG2 4.4Å; W32-I95 HydrophobicContact CD2-CB 4.19Å; W32-I95 HydrophobicContact CD2-CG2 3.43Å; W32-I95 VanDerWaalsContact CD2-CG2 3.43Å; W32-I95 HydrophobicContact CE3-CB 4.41Å; W32-I95 HydrophobicContact CE3-CG2 3.41Å; W32-I95 VanDerWaalsContact CE3-CG2 3.41Å; W32-I95 HydrophobicContact CG-CG2 4.09Å; W32-I95 HydrophobicContact CH2-CB 3.98Å; W32-I95 HydrophobicContact CH2-CD1 3.38Å; W32-I95 HydrophobicContact CH2-CG1 4.29Å; W32-I95 HydrophobicContact CH2-CG2 3.78Å; W32-I95 HydrophobicContact CZ2-CB 3.76Å; W32-I95 HydrophobicContact CZ2-CD1 3.87Å; W32-I95 HydrophobicContact CZ2-CG1 4.43Å; W32-I95 HydrophobicContact CZ2-CG2 3.82Å; W32-I95 HydrophobicContact CZ3-CB 4.3Å; W32-I95 HydrophobicContact CZ3-CD1 3.92Å; W32-I95 HydrophobicContact CZ3-CG2 3.58Å; V66-I95 HydrophobicContact CG2-CD1 3.59Å; L74-I95 HydrophobicContact CD1-CD1 3.78Å; L74-I95 HydrophobicContact CD1-CG1 4.2Å; L74-I95 HydrophobicContact CD2-CD1 4.32Å; L74-I95 HydrophobicContact CD2-CG1 3.89Å; L74-I95 HydrophobicContact CG-CD1 4.17Å; L74-I95 HydrophobicContact CG-CG1 4.02Å; L91-I95 PolarHBondContact O-N 3.49Å; L91-I95 VanDerWaalsContact O-N 3.11Å; K92-I95 PolarHBondContact O-N 3.17Å; I95-A97 VanDerWaalsContact C-N 3.25Å; I95-A97 PolarHBondContact O-N 3.28Å; I95-N98 PolarHBondContact O-N 3.17Å; I95-Y99 HydrophobicContact CG2-CD2 3.5Å; I95-Y99 HydrophobicContact CG2-CE2 3.81Å; I95-Y99 VanDerWaalsContact O-CD2 3.29Å; I95-Y99 WeakPolarHBondContact O-CD2 3.41Å; I95-Y99 PolarHBondContact O-N 2.7Å; I95-Y99 VanDerWaalsContact O-N 3.16Å |
| 96 | N | 90.3 | Very high | 87 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.5 | -41.5 | 177.8 | -170.1 | 56.9 | 0 | 0 | 0 | 111.7 | K92 A93 N98 Y99 A100 | K92-N96 VanDerWaalsContact O-CB 3.24Å; K92-N96 WeakPolarHBondContact O-CB 3.32Å; K92-N96 PolarHBondContact O-N 2.94Å; A93-N96 PolarHBondContact O-N 3.22Å; N96-N98 PolarHBondContact O-N 3.32Å; N96-Y99 PolarHBondContact O-N 3.26Å; N96-A100 WeakPolarHBondContact O-CA 3.36Å; N96-A100 WeakPolarHBondContact O-CB 3.41Å; N96-A100 PolarHBondContact O-N 3.5Å |
| 97 | A | 86.2 | Confident | 86.7 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 66% | 0.661 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.6 | -24 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A93 A94 I95 | A93-A97 WeakPolarHBondContact O-CB 3.41Å; A93-A97 PolarHBondContact O-N 3.32Å; A94-A97 PolarHBondContact O-N 3.5Å; I95-A97 VanDerWaalsContact C-N 3.25Å; I95-A97 PolarHBondContact O-N 3.28Å |
| 98 | N | 84.2 | Confident | 86.5 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -88.5 | -28.9 | 178 | -75.9 | -86.2 | 0 | 0 | 0 | 113.2 | L73 A94 I95 N96 | L73-N98 HydrophobicContact CD1-CB 4.17Å; A94-N98 PolarHBondContact O-ND2 3.26Å; I95-N98 PolarHBondContact O-N 3.17Å; N96-N98 PolarHBondContact O-N 3.32Å |
| 99 | Y | 82.7 | Confident | 86.4 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -111.8 | -20.1 | -173.9 | -66.8 | -71.3 | 0 | 0 | 0 | 114.7 | F25 P27 H70 I95 N96 P101 | F25-Y99 HydrophobicContact CD1-CE2 4.49Å; F25-Y99 HydrophobicContact CE1-CD1 4.2Å; F25-Y99 AromaticContact CE1-CD2 3.64Å; F25-Y99 HydrophobicContact CE1-CD2 3.64Å; F25-Y99 HydrophobicContact CE1-CE1 4.26Å; F25-Y99 AromaticContact CE1-CE2 3.7Å; F25-Y99 HydrophobicContact CE1-CE2 3.7Å; F25-Y99 AromaticContact CE1-CG 3.91Å; F25-Y99 HydrophobicContact CE1-CG 3.91Å; F25-Y99 HydrophobicContact CZ-CD1 4.31Å; F25-Y99 HydrophobicContact CZ-CD2 4.25Å; F25-Y99 HydrophobicContact CZ-CG 4.09Å; P27-Y99 HydrophobicContact CB-CD1 3.79Å; P27-Y99 HydrophobicContact CB-CE1 3.56Å; P27-Y99 HydrophobicContact CG-CD1 3.87Å; P27-Y99 HydrophobicContact CG-CE1 3.23Å; H70-Y99 AromaticContact CE1-CZ 3.64Å; H70-Y99 PolarHBondContact CE1-OH 3.41Å; H70-Y99 AromaticContact ND1-CE2 3.88Å; H70-Y99 AromaticContact ND1-CZ 3.63Å; H70-Y99 PolarHBondContact ND1-OH 2.99Å; I95-Y99 HydrophobicContact CG2-CD2 3.5Å; I95-Y99 HydrophobicContact CG2-CE2 3.81Å; I95-Y99 VanDerWaalsContact O-CD2 3.29Å; I95-Y99 WeakPolarHBondContact O-CD2 3.41Å; I95-Y99 PolarHBondContact O-N 2.7Å; I95-Y99 VanDerWaalsContact O-N 3.16Å; N96-Y99 PolarHBondContact O-N 3.26Å; Y99-P101 WeakPolarHBondContact O-CD 3.43Å; Y99-P101 VanDerWaalsContact O-N 3.17Å |
| 100 | A | 68 | Low | 86.4 | Confident | 39 Ų | 39 | 66 Ų | 66 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -63.2 | 118.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | N96 | N96-A100 WeakPolarHBondContact O-CA 3.36Å; N96-A100 WeakPolarHBondContact O-CB 3.41Å; N96-A100 PolarHBondContact O-N 3.5Å |
| 101 | P | 64.2 | Low | 86.4 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | trans | -51.3 | 153.5 | 158.4 | -17 | 31.1 | 0 | 0 | 0 | 107.3 | Y99 S103 | Y99-P101 WeakPolarHBondContact O-CD 3.43Å; Y99-P101 VanDerWaalsContact O-N 3.17Å; P101-S103 PolarHBondContact O-N 3.16Å | ||
| 102 | K | 62.5 | Low | 86.4 | Confident | 216 Ų | 216 | 67.8 Ų | 67.8 | 94% | 0.939 | 38% | 0.382 | S | S | * | . | trans | -63.4 | 77.7 | 159.1 | -69 | -179 | -178.3 | 178.6 | 0 | 106.8 | S104 | K102-S104 PolarHBondContact O-N 2.93Š| ||
| 103 | S | 67.2 | Low | 86.5 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | trans | -65.5 | 109.1 | -178.6 | 53.6 | 0 | 0 | 0 | 0 | 106 | P101 | P101-S103 PolarHBondContact O-N 3.16Š| ||
| 104 | S | 84.6 | Confident | 86.7 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 37% | 0.371 | 40% | 0.403 | S | S | . | . | trans | -84.4 | 114.5 | 168.3 | 168 | 0 | 0 | 0 | 0 | 106.2 | K102 M106 V107 D108 | K102-S104 PolarHBondContact O-N 2.93Å; S104-M106 PolarHBondContact O-N 2.87Å; S104-M106 PolarHBondContact OG-N 3.41Å; S104-V107 CarbonylContact O-C 3.58Å; S104-V107 WeakPolarHBondContact O-CA 3.36Å; S104-V107 WeakPolarHBondContact O-CB 3.35Å; S104-V107 PolarHBondContact O-N 3.25Å; S104-V107 PolarHBondContact OG-N 2.93Å; S104-D108 PolarHBondContact O-N 3.27Å | ||
| 105 | V | 90.2 | Very high | 86.9 | Confident | 51 Ų | 51 | 73.8 Ų | 73.8 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -47.4 | -35.3 | 172.1 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | D108 R109 C137 D138 | V105-D108 PolarHBondContact O-N 3.28Å; V105-R109 HydrophobicContact CG1-CG 4.46Å; V105-R109 WeakPolarHBondContact O-CB 3.49Å; V105-R109 VanDerWaalsContact O-CG 3.22Å; V105-R109 WeakPolarHBondContact O-CG 3.43Å; V105-R109 PolarHBondContact O-N 3.3Å; V105-C137 WeakPolarHBondContact CG1-O 3.5Å; V105-D138 HydrophobicContact CG1-CB 4.22Å; V105-D138 HydrophobicContact CG2-CB 4.44Å |
| 106 | M | 92.6 | Very high | 87.1 | Confident | 123 Ų | 123 | 78 Ų | 78 | 61% | 0.606 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69.6 | -40.1 | 176.7 | -64 | -59.2 | 167.5 | 0 | 0 | 112.7 | S104 R109 V110 | S104-M106 PolarHBondContact O-N 2.87Å; S104-M106 PolarHBondContact OG-N 3.41Å; M106-R109 PolarHBondContact O-N 2.81Å; M106-V110 VanDerWaalsContact O-CG2 3.26Å; M106-V110 WeakPolarHBondContact O-CG2 3.36Å; M106-V110 PolarHBondContact O-N 3.36Å |
| 107 | V | 91.4 | Very high | 87.4 | Confident | 72 Ų | 72 | 75.8 Ų | 75.8 | 44% | 0.436 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 173.7 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | S104 R109 V110 H111 | S104-V107 CarbonylContact O-C 3.58Å; S104-V107 WeakPolarHBondContact O-CA 3.36Å; S104-V107 WeakPolarHBondContact O-CB 3.35Å; S104-V107 PolarHBondContact O-N 3.25Å; S104-V107 PolarHBondContact OG-N 2.93Å; V107-R109 VanDerWaalsContact C-N 3.35Å; V107-R109 PolarHBondContact O-N 3.27Å; V107-V110 WeakPolarHBondContact O-CB 3.38Å; V107-V110 PolarHBondContact O-N 2.85Å; V107-H111 WeakPolarHBondContact CG1-CE1 3.49Å; V107-H111 WeakPolarHBondContact CG1-ND1 3.39Å; V107-H111 PolarHBondContact O-N 3.37Å; V107-H111 PolarHBondContact O-ND1 3.42Å |
| 108 | D | 92.5 | Very high | 87.8 | Confident | 28 Ų | 28 | 79.9 Ų | 79.9 | 15% | 0.15 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.8 | -66.5 | -49.9 | 0 | 0 | 0 | 111.1 | S104 V105 V110 H111 F112 K136 C137 | S104-D108 PolarHBondContact O-N 3.27Å; V105-D108 PolarHBondContact O-N 3.28Å; D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 3.11Å; D108-H111 PolarHBondContact O-N 3.5Å; D108-F112 WeakPolarHBondContact O-CB 3.13Å; D108-F112 PolarHBondContact O-N 2.81Å; D108-K136 HydrophobicContact CB-CB 3.99Å; D108-C137 VanDerWaalsContact C-SG 3.56Å; D108-C137 PolarHBondContact O-SG 2.6Å |
| 109 | R | 96.2 | Very high | 88 | Confident | 76 Ų | 76 | 85.9 Ų | 85.9 | 29% | 0.287 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.3 | -35.6 | 173.9 | -74.9 | 177.4 | 178.2 | -162.9 | 2 | 113 | V105 M106 V107 S113 C137 D138 F139 | V105-R109 HydrophobicContact CG1-CG 4.46Å; V105-R109 WeakPolarHBondContact O-CB 3.49Å; V105-R109 VanDerWaalsContact O-CG 3.22Å; V105-R109 WeakPolarHBondContact O-CG 3.43Å; V105-R109 PolarHBondContact O-N 3.3Å; M106-R109 PolarHBondContact O-N 2.81Å; V107-R109 VanDerWaalsContact C-N 3.35Å; V107-R109 PolarHBondContact O-N 3.27Å; R109-S113 WeakPolarHBondContact O-CB 3.49Å; R109-S113 PolarHBondContact O-N 3.3Å; R109-S113 PolarHBondContact O-OG 3.41Å; R109-C137 HydrophobicContact CG-CB 3.83Å; R109-C137 PolarHBondContact NE-O 3.16Å; R109-C137 PolarHBondContact NH2-O 3.13Å; R109-D138 PolarHBondContact NH2-O 3.25Å; R109-F139 HydrophobicContact CG-CE1 3.84Å; R109-F139 HydrophobicContact CG-CZ 4.11Å |
| 110 | V | 96 | Very high | 88.4 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 173.3 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | M106 V107 D108 F112 S113 M114 | M106-V110 VanDerWaalsContact O-CG2 3.26Å; M106-V110 WeakPolarHBondContact O-CG2 3.36Å; M106-V110 PolarHBondContact O-N 3.36Å; V107-V110 WeakPolarHBondContact O-CB 3.38Å; V107-V110 PolarHBondContact O-N 2.85Å; D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 3.11Å; V110-F112 VanDerWaalsContact C-N 3.32Å; V110-F112 PolarHBondContact O-N 3.05Å; V110-S113 PolarHBondContact O-N 3.34Å; V110-S113 VanDerWaalsContact O-N 3.16Å; V110-M114 HydrophobicContact CG1-CE 3.79Å; V110-M114 HydrophobicContact CG1-CG 4.29Å; V110-M114 HydrophobicContact CG1-SD 3.73Å; V110-M114 WeakPolarHBondContact O-CB 3.4Å; V110-M114 WeakPolarHBondContact O-CG 3.22Å; V110-M114 PolarHBondContact O-N 2.95Å |
| 111 | H | 95.7 | Very high | 89.7 | Confident | 108 Ų | 108 | 89.3 Ų | 89.3 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 176.4 | -74 | 91.9 | 0 | 0 | 0 | 112.1 | V107 D108 M114 R115 | V107-H111 WeakPolarHBondContact CG1-CE1 3.49Å; V107-H111 WeakPolarHBondContact CG1-ND1 3.39Å; V107-H111 PolarHBondContact O-N 3.37Å; V107-H111 PolarHBondContact O-ND1 3.42Å; D108-H111 PolarHBondContact O-N 3.5Å; H111-M114 PolarHBondContact O-N 3.49Å; H111-R115 PolarHBondContact O-N 3.19Å |
| 112 | F | 97.3 | Very high | 91.2 | Very high | 6 Ų | 6 | 86 Ų | 86 | 3% | 0.026 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 173.3 | 174 | -92.9 | 0 | 0 | 0 | 111.8 | D108 V110 M114 R115 L130 L133 A134 F139 R146 L147 Q150 | D108-F112 WeakPolarHBondContact O-CB 3.13Å; D108-F112 PolarHBondContact O-N 2.81Å; V110-F112 VanDerWaalsContact C-N 3.32Å; V110-F112 PolarHBondContact O-N 3.05Å; F112-M114 VanDerWaalsContact C-N 3.34Å; F112-M114 PolarHBondContact O-N 3.36Å; F112-R115 WeakPolarHBondContact O-CB 3.24Å; F112-R115 PolarHBondContact O-N 3.14Å; F112-L130 HydrophobicContact CD2-CD2 4.12Å; F112-L130 HydrophobicContact CE2-CB 4.31Å; F112-L130 HydrophobicContact CE2-CD2 3.96Å; F112-L133 HydrophobicContact CB-CB 4.32Å; F112-L133 HydrophobicContact CD2-CB 4.15Å; F112-A134 HydrophobicContact CD2-CB 4.05Å; F112-A134 HydrophobicContact CE2-CB 3.85Å; F112-F139 AromaticContact CD1-CE2 3.93Å; F112-F139 HydrophobicContact CD1-CE2 3.93Å; F112-F139 AromaticContact CD1-CZ 3.66Å; F112-F139 HydrophobicContact CD1-CZ 3.66Å; F112-F139 HydrophobicContact CD2-CE2 4.16Å; F112-F139 AromaticContact CE1-CE2 3.87Å; F112-F139 HydrophobicContact CE1-CE2 3.87Å; F112-F139 AromaticContact CE1-CZ 3.82Å; F112-F139 HydrophobicContact CE1-CZ 3.82Å; F112-F139 HydrophobicContact CE2-CE2 4.12Å; F112-F139 HydrophobicContact CG-CE2 4.07Å; F112-F139 HydrophobicContact CG-CZ 4.1Å; F112-F139 AromaticContact CZ-CE2 3.97Å; F112-F139 HydrophobicContact CZ-CE2 3.97Å; F112-F139 HydrophobicContact CZ-CZ 4.39Å; F112-R146 HydrophobicContact CE1-CB 4.41Å; F112-R146 HydrophobicContact CZ-CB 4.44Å; F112-R146 WeakPolarHBondContact CZ-O 3.4Å; F112-L147 HydrophobicContact CE2-CD2 3.89Å; F112-L147 HydrophobicContact CZ-CD2 4.32Å; F112-Q150 HydrophobicContact CD1-CB 4.49Å; F112-Q150 HydrophobicContact CD1-CG 4.23Å; F112-Q150 HydrophobicContact CE1-CB 3.51Å; F112-Q150 HydrophobicContact CE1-CG 3.69Å; F112-Q150 HydrophobicContact CE2-CB 4.35Å; F112-Q150 HydrophobicContact CE2-CG 4.3Å; F112-Q150 HydrophobicContact CZ-CB 3.42Å; F112-Q150 VanDerWaalsContact CZ-CB 3.42Å; F112-Q150 HydrophobicContact CZ-CG 3.73Å; F112-Q150 PolarHBondContact O-NE2 3.33Å |
| 113 | S | 96.6 | Very high | 92.7 | Very high | 62 Ų | 62 | 75.9 Ų | 75.9 | 43% | 0.434 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.4 | -30.7 | -178.1 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | R109 V110 R115 Q150 | R109-S113 WeakPolarHBondContact O-CB 3.49Å; R109-S113 PolarHBondContact O-N 3.3Å; R109-S113 PolarHBondContact O-OG 3.41Å; V110-S113 PolarHBondContact O-N 3.34Å; V110-S113 VanDerWaalsContact O-N 3.16Å; S113-R115 VanDerWaalsContact C-N 3.27Å; S113-R115 PolarHBondContact O-N 2.94Å; S113-Q150 PolarHBondContact O-NE2 3Å |
| 114 | M | 96.4 | Very high | 94.1 | Very high | 135 Ų | 135 | 78 Ų | 78 | 67% | 0.665 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.6 | 176 | -71.1 | -177.5 | 173 | 0 | 0 | 113.2 | V110 H111 F112 F116 | V110-M114 HydrophobicContact CG1-CE 3.79Å; V110-M114 HydrophobicContact CG1-CG 4.29Å; V110-M114 HydrophobicContact CG1-SD 3.73Å; V110-M114 WeakPolarHBondContact O-CB 3.4Å; V110-M114 WeakPolarHBondContact O-CG 3.22Å; V110-M114 PolarHBondContact O-N 2.95Å; H111-M114 PolarHBondContact O-N 3.49Å; F112-M114 VanDerWaalsContact C-N 3.34Å; F112-M114 PolarHBondContact O-N 3.36Å; M114-F116 WeakPolarHBondContact O-CD2 3.5Å; M114-F116 PolarHBondContact O-N 3.49Å |
| 115 | R | 97.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 80.4 Ų | 80.4 | 13% | 0.125 | 39% | 0.391 | C | S | . | . | trans | -81.1 | 106.9 | 178.6 | -177.7 | 52.6 | 171.1 | 102.3 | 7 | 110.2 | H111 F112 S113 E121 F126 L130 L133 Q150 | H111-R115 PolarHBondContact O-N 3.19Å; F112-R115 WeakPolarHBondContact O-CB 3.24Å; F112-R115 PolarHBondContact O-N 3.14Å; S113-R115 VanDerWaalsContact C-N 3.27Å; S113-R115 PolarHBondContact O-N 2.94Å; R115-E121 IonicContact CZ-OE1 3.61Å; R115-E121 IonicContact CZ-OE2 2.65Å; R115-E121 IonicContact NH1-OE1 3.26Å; R115-E121 IonicContact NH1-OE2 3.04Å; R115-E121 PolarHBondContact NH1-OE2 3.48Å; R115-E121 IonicContact NH2-OE1 3.53Å; R115-E121 PolarHBondContact NH2-OE1 3.33Å; R115-E121 IonicContact NH2-OE2 3.52Å; R115-E121 PolarHBondContact NH2-OE2 2.91Å; R115-F126 HydrophobicContact CG-CE2 4.08Å; R115-L130 HydrophobicContact CB-CD2 3.68Å; R115-L130 HydrophobicContact CG-CD2 3.59Å; R115-L130 HydrophobicContact CG-CG 4.25Å; R115-L133 HydrophobicContact CB-CD1 3.71Å; R115-L133 HydrophobicContact CG-CD1 3.77Å; R115-Q150 PolarHBondContact O-NE2 3.19Å; R115-Q150 VanDerWaalsContact O-NE2 3.12Å | ||
| 116 | F | 97.2 | Very high | 95 | Very high | 89 Ų | 89 | 78 Ų | 78 | 39% | 0.39 | 38% | 0.376 | S | S | . | . | trans | -110.2 | 141.8 | 174.2 | -63.6 | -83.3 | 0 | 0 | 0 | 111.5 | M114 R118 I153 G154 N156 | M114-F116 WeakPolarHBondContact O-CD2 3.5Å; M114-F116 PolarHBondContact O-N 3.49Å; F116-R118 PolarHBondContact O-N 3.48Å; F116-I153 HydrophobicContact CE1-CG2 4.38Å; F116-G154 CarbonylContact C-O 3.45Å; F116-G154 WeakPolarHBondContact CA-O 3.2Å; F116-N156 HydrophobicContact CB-CB 4.16Å; F116-N156 HydrophobicContact CD1-CB 3.99Å; F116-N156 HydrophobicContact CG-CB 4.44Å | ||
| 117 | R | 96.2 | Very high | 95.2 | Very high | 27 Ų | 27 | 72.3 Ų | 72.3 | 10% | 0.102 | 35% | 0.348 | C | S | . | . | trans | -57.2 | 134 | 174.4 | -176.7 | 174.8 | 115.8 | -118.8 | 14.1 | 109.6 | E121 F126 G154 F155 W160 E189 | R117-E121 WeakPolarHBondContact CD-O 3.26Å; R117-E121 HydrophobicContact CG-CB 4.3Å; R117-E121 HydrophobicContact CG-CG 4.35Å; R117-E121 PolarHBondContact NE-O 3.44Å; R117-E121 VanDerWaalsContact NE-O 3.16Å; R117-F126 HydrophobicContact CB-CB 4.12Å; R117-F126 HydrophobicContact CB-CD1 3.97Å; R117-F126 HydrophobicContact CB-CD2 3.75Å; R117-F126 HydrophobicContact CB-CE1 4.33Å; R117-F126 HydrophobicContact CB-CE2 4.14Å; R117-F126 HydrophobicContact CB-CG 3.66Å; R117-F126 HydrophobicContact CB-CZ 4.41Å; R117-F126 HydrophobicContact CG-CB 3.94Å; R117-F126 HydrophobicContact CG-CD2 4.47Å; R117-F126 HydrophobicContact CG-CG 4.06Å; R117-F126 VanDerWaalsContact N-CE2 3.28Å; R117-G154 PolarHBondContact N-O 3.4Å; R117-F155 HydrophobicContact CB-CD1 4.34Å; R117-W160 VanDerWaalsContact CZ-CZ3 3.45Å; R117-E189 IonicContact NH2-OE2 3.76Å | ||
| 118 | R | 94.6 | Very high | 95.4 | Very high | 166 Ų | 166 | 72.7 Ų | 72.7 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | trans | -83.9 | 152.6 | 173.9 | -58.8 | 174.8 | -177.9 | 171.4 | 0.4 | 110 | F116 N120 E121 | F116-R118 PolarHBondContact O-N 3.48Å; R118-N120 PolarHBondContact O-N 3.31Å; R118-E121 HydrophobicContact CB-CB 3.87Å; R118-E121 PolarHBondContact N-OE2 2.9Å; R118-E121 VanDerWaalsContact N-OE2 3.12Å; R118-E121 WeakPolarHBondContact O-CB 3.37Å; R118-E121 PolarHBondContact O-N 2.86Å | ||
| 119 | K | 89 | Confident | 95.6 | Very high | 213 Ų | 213 | 73 Ų | 73 | 93% | 0.926 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -36.1 | -178.8 | -71.1 | -171.1 | 176.1 | -173.4 | 0 | 113.6 | E121 | K119-E121 VanDerWaalsContact C-N 3.34Š|
| 120 | N | 91.3 | Very high | 95.6 | Very high | 144 Ų | 144 | 69.3 Ų | 69.3 | 77% | 0.77 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 17.2 | -179.7 | 66.6 | -40.6 | 0 | 0 | 0 | 113.2 | R118 | R118-N120 PolarHBondContact O-N 3.31Š|
| 121 | E | 95 | Very high | 95.6 | Very high | 27 Ų | 27 | 70.8 Ų | 70.8 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | trans | -113.2 | 130.3 | -178.7 | 173 | 173.8 | -125.6 | 0 | 0 | 110 | R115 R117 R118 K119 Q125 F126 | R115-E121 IonicContact CZ-OE1 3.61Å; R115-E121 IonicContact CZ-OE2 2.65Å; R115-E121 IonicContact NH1-OE1 3.26Å; R115-E121 IonicContact NH1-OE2 3.04Å; R115-E121 PolarHBondContact NH1-OE2 3.48Å; R115-E121 IonicContact NH2-OE1 3.53Å; R115-E121 PolarHBondContact NH2-OE1 3.33Å; R115-E121 IonicContact NH2-OE2 3.52Å; R115-E121 PolarHBondContact NH2-OE2 2.91Å; R117-E121 WeakPolarHBondContact CD-O 3.26Å; R117-E121 HydrophobicContact CG-CB 4.3Å; R117-E121 HydrophobicContact CG-CG 4.35Å; R117-E121 PolarHBondContact NE-O 3.44Å; R117-E121 VanDerWaalsContact NE-O 3.16Å; R118-E121 HydrophobicContact CB-CB 3.87Å; R118-E121 PolarHBondContact N-OE2 2.9Å; R118-E121 VanDerWaalsContact N-OE2 3.12Å; R118-E121 WeakPolarHBondContact O-CB 3.37Å; R118-E121 PolarHBondContact O-N 2.86Å; K119-E121 VanDerWaalsContact C-N 3.34Å; E121-Q125 HydrophobicContact CG-CB 3.75Å; E121-F126 HydrophobicContact CG-CB 4.07Å | ||
| 122 | S | 95 | Very high | 95.5 | Very high | 28 Ų | 28 | 67.5 Ų | 67.5 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | trans | -70.3 | 157.8 | 176.5 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | M124 Q125 F126 E186 | S122-M124 VanDerWaalsContact C-N 3.25Å; S122-M124 PolarHBondContact O-N 3.2Å; S122-Q125 PolarHBondContact O-N 2.9Å; S122-Q125 WeakPolarHBondContact OG-CB 3.16Å; S122-Q125 VanDerWaalsContact OG-CD 3.24Å; S122-Q125 WeakPolarHBondContact OG-CG 2.84Å; S122-Q125 PolarHBondContact OG-N 3.19Å; S122-Q125 PolarHBondContact OG-OE1 3.43Å; S122-F126 WeakPolarHBondContact O-CB 3.13Å; S122-F126 PolarHBondContact O-N 3.41Å; S122-E186 WeakPolarHBondContact CA-OE1 3.49Å; S122-E186 WeakPolarHBondContact CB-OE1 3.48Å | ||
| 123 | V | 95.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -51.3 | -48 | 172.5 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | Q125 F126 V127 F155 W160 A182 E186 | V123-Q125 PolarHBondContact O-N 3.46Å; V123-F126 PolarHBondContact O-N 2.91Å; V123-V127 HydrophobicContact CG1-CG2 4.21Å; V123-V127 WeakPolarHBondContact O-CB 3.49Å; V123-V127 WeakPolarHBondContact O-CG2 3.33Å; V123-V127 PolarHBondContact O-N 2.79Å; V123-F155 HydrophobicContact CB-CE1 4.39Å; V123-F155 HydrophobicContact CG1-CE1 4.2Å; V123-F155 HydrophobicContact CG1-CZ 4.01Å; V123-F155 HydrophobicContact CG2-CE1 3.82Å; V123-F155 HydrophobicContact CG2-CZ 4.21Å; V123-W160 HydrophobicContact CG2-CH2 4.03Å; V123-W160 HydrophobicContact CG2-CZ3 3.68Å; V123-A182 HydrophobicContact CG1-CB 3.86Å; V123-A182 HydrophobicContact CG2-CB 4.22Å; V123-E186 HydrophobicContact CG2-CB 3.8Å; V123-E186 HydrophobicContact CG2-CG 4.34Å; V123-E186 PolarHBondContact N-OE1 3.32Å |
| 124 | M | 95.8 | Very high | 95.2 | Very high | 124 Ų | 124 | 67.3 Ų | 67.3 | 61% | 0.611 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | -178.8 | -178.3 | 175.8 | 58 | 0 | 0 | 112.4 | S122 N128 | S122-M124 VanDerWaalsContact C-N 3.25Å; S122-M124 PolarHBondContact O-N 3.2Å; M124-N128 WeakPolarHBondContact O-CB 3.48Å; M124-N128 PolarHBondContact O-N 3.37Å; M124-N128 PolarHBondContact O-ND2 3.39Å |
| 125 | Q | 97 | Very high | 94.8 | Very high | 103 Ų | 103 | 64.1 Ų | 64.1 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 176.6 | -76.1 | 165.9 | -35.9 | 0 | 0 | 111.5 | E121 S122 V123 N128 A129 | E121-Q125 HydrophobicContact CG-CB 3.75Å; S122-Q125 PolarHBondContact O-N 2.9Å; S122-Q125 WeakPolarHBondContact OG-CB 3.16Å; S122-Q125 VanDerWaalsContact OG-CD 3.24Å; S122-Q125 WeakPolarHBondContact OG-CG 2.84Å; S122-Q125 PolarHBondContact OG-N 3.19Å; S122-Q125 PolarHBondContact OG-OE1 3.43Å; V123-Q125 PolarHBondContact O-N 3.46Å; Q125-N128 PolarHBondContact O-N 3.16Å; Q125-A129 WeakPolarHBondContact O-CB 3.28Å; Q125-A129 PolarHBondContact O-N 3.11Å |
| 126 | F | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 177.7 | 169.4 | -118.6 | 0 | 0 | 0 | 112.3 | R115 R117 E121 S122 V123 N128 A129 L130 F155 | R115-F126 HydrophobicContact CG-CE2 4.08Å; R117-F126 HydrophobicContact CB-CB 4.12Å; R117-F126 HydrophobicContact CB-CD1 3.97Å; R117-F126 HydrophobicContact CB-CD2 3.75Å; R117-F126 HydrophobicContact CB-CE1 4.33Å; R117-F126 HydrophobicContact CB-CE2 4.14Å; R117-F126 HydrophobicContact CB-CG 3.66Å; R117-F126 HydrophobicContact CB-CZ 4.41Å; R117-F126 HydrophobicContact CG-CB 3.94Å; R117-F126 HydrophobicContact CG-CD2 4.47Å; R117-F126 HydrophobicContact CG-CG 4.06Å; R117-F126 VanDerWaalsContact N-CE2 3.28Å; E121-F126 HydrophobicContact CG-CB 4.07Å; S122-F126 WeakPolarHBondContact O-CB 3.13Å; S122-F126 PolarHBondContact O-N 3.41Å; V123-F126 PolarHBondContact O-N 2.91Å; F126-N128 VanDerWaalsContact C-N 3.34Å; F126-N128 PolarHBondContact O-N 3.45Å; F126-A129 WeakPolarHBondContact O-CB 3.48Å; F126-A129 PolarHBondContact O-N 3.01Å; F126-L130 HydrophobicContact CD1-CD1 4.39Å; F126-L130 HydrophobicContact CD2-CG 4.42Å; F126-L130 HydrophobicContact CE1-CD1 3.72Å; F126-L130 HydrophobicContact CE2-CD1 3.91Å; F126-L130 HydrophobicContact CE2-CD2 4.31Å; F126-L130 HydrophobicContact CE2-CG 3.92Å; F126-L130 HydrophobicContact CZ-CD1 3.43Å; F126-L130 VanDerWaalsContact CZ-CD1 3.43Å; F126-L130 HydrophobicContact CZ-CD2 4.45Å; F126-L130 HydrophobicContact CZ-CG 3.98Å; F126-L130 PolarHBondContact O-N 2.9Å; F126-F155 HydrophobicContact CD1-CD1 4.14Å; F126-F155 AromaticContact CD1-CE1 3.76Å; F126-F155 HydrophobicContact CD1-CE1 3.76Å; F126-F155 HydrophobicContact CD1-CZ 4.37Å; F126-F155 HydrophobicContact CE1-CD1 4.16Å; F126-F155 HydrophobicContact CE1-CE1 4.07Å; F126-F155 HydrophobicContact CE1-CZ 4.48Å |
| 127 | V | 96.2 | Very high | 94 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 178.1 | 171.4 | 0 | 0 | 0 | 0 | 111 | V123 A129 L130 R131 V151 E179 | V123-V127 HydrophobicContact CG1-CG2 4.21Å; V123-V127 WeakPolarHBondContact O-CB 3.49Å; V123-V127 WeakPolarHBondContact O-CG2 3.33Å; V123-V127 PolarHBondContact O-N 2.79Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 3.38Å; V127-L130 WeakPolarHBondContact O-CB 3.31Å; V127-L130 PolarHBondContact O-N 2.99Å; V127-R131 VanDerWaalsContact CG1-CZ 3.43Å; V127-R131 WeakPolarHBondContact O-CG 3.35Å; V127-R131 PolarHBondContact O-N 3.28Å; V127-V151 HydrophobicContact CG2-CG2 3.95Å; V127-E179 HydrophobicContact CG1-CG 4.11Å; V127-E179 VanDerWaalsContact CG1-OE1 3.22Å; V127-E179 WeakPolarHBondContact CG1-OE1 3.47Å; V127-E179 HydrophobicContact CG2-CG 4.07Å |
| 128 | N | 96 | Very high | 93.8 | Very high | 80 Ų | 80 | 65.7 Ų | 65.7 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 177.4 | -73.7 | -18 | 0 | 0 | 0 | 112.1 | M124 Q125 F126 L130 R131 G132 | M124-N128 WeakPolarHBondContact O-CB 3.48Å; M124-N128 PolarHBondContact O-N 3.37Å; M124-N128 PolarHBondContact O-ND2 3.39Å; Q125-N128 PolarHBondContact O-N 3.16Å; F126-N128 VanDerWaalsContact C-N 3.34Å; F126-N128 PolarHBondContact O-N 3.45Å; N128-L130 VanDerWaalsContact C-N 3.34Å; N128-R131 PolarHBondContact O-N 2.99Å; N128-R131 PolarHBondContact OD1-NH1 3.23Å; N128-G132 PolarHBondContact O-N 2.84Å |
| 129 | A | 96.1 | Very high | 93.8 | Very high | 34 Ų | 34 | 58.6 Ų | 58.6 | 28% | 0.281 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q125 F126 V127 G132 L133 | Q125-A129 WeakPolarHBondContact O-CB 3.28Å; Q125-A129 PolarHBondContact O-N 3.11Å; F126-A129 WeakPolarHBondContact O-CB 3.48Å; F126-A129 PolarHBondContact O-N 3.01Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 3.38Å; A129-G132 PolarHBondContact O-N 2.77Å; A129-L133 WeakPolarHBondContact O-CG 3.43Å; A129-L133 PolarHBondContact O-N 2.72Å; A129-L133 VanDerWaalsContact O-N 3.11Å |
| 130 | L | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 173.8 | -77.8 | 179 | 0 | 0 | 0 | 112.4 | F112 R115 F126 V127 N128 G132 L133 A134 L147 Q150 V151 | F112-L130 HydrophobicContact CD2-CD2 4.12Å; F112-L130 HydrophobicContact CE2-CB 4.31Å; F112-L130 HydrophobicContact CE2-CD2 3.96Å; R115-L130 HydrophobicContact CB-CD2 3.68Å; R115-L130 HydrophobicContact CG-CD2 3.59Å; R115-L130 HydrophobicContact CG-CG 4.25Å; F126-L130 HydrophobicContact CD1-CD1 4.39Å; F126-L130 HydrophobicContact CD2-CG 4.42Å; F126-L130 HydrophobicContact CE1-CD1 3.72Å; F126-L130 HydrophobicContact CE2-CD1 3.91Å; F126-L130 HydrophobicContact CE2-CD2 4.31Å; F126-L130 HydrophobicContact CE2-CG 3.92Å; F126-L130 HydrophobicContact CZ-CD1 3.43Å; F126-L130 VanDerWaalsContact CZ-CD1 3.43Å; F126-L130 HydrophobicContact CZ-CD2 4.45Å; F126-L130 HydrophobicContact CZ-CG 3.98Å; F126-L130 PolarHBondContact O-N 2.9Å; V127-L130 WeakPolarHBondContact O-CB 3.31Å; V127-L130 PolarHBondContact O-N 2.99Å; N128-L130 VanDerWaalsContact C-N 3.34Å; L130-G132 VanDerWaalsContact C-N 3.29Å; L130-G132 PolarHBondContact O-N 3.19Å; L130-L133 PolarHBondContact O-N 2.85Å; L130-A134 WeakPolarHBondContact O-CB 3.42Å; L130-A134 PolarHBondContact O-N 3.01Å; L130-L147 HydrophobicContact CB-CD2 3.9Å; L130-Q150 HydrophobicContact CD1-CB 4.32Å; L130-Q150 HydrophobicContact CD1-CG 3.96Å; L130-Q150 HydrophobicContact CD2-CG 3.51Å; L130-Q150 HydrophobicContact CG-CG 4.41Å; L130-V151 HydrophobicContact CD1-CG2 3.83Å |
| 131 | R | 95.6 | Very high | 94.2 | Very high | 101 Ų | 101 | 54 Ų | 54 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 175.7 | -71.6 | 176 | -178 | 137.7 | -2.9 | 111.7 | V127 N128 L133 A134 G135 L147 E179 | V127-R131 VanDerWaalsContact CG1-CZ 3.43Å; V127-R131 WeakPolarHBondContact O-CG 3.35Å; V127-R131 PolarHBondContact O-N 3.28Å; N128-R131 PolarHBondContact O-N 2.99Å; N128-R131 PolarHBondContact OD1-NH1 3.23Å; R131-L133 PolarHBondContact O-N 2.83Å; R131-A134 PolarHBondContact O-N 2.83Å; R131-G135 PolarHBondContact O-N 3.05Å; R131-L147 HydrophobicContact CG-CD1 4.08Å; R131-L147 HydrophobicContact CG-CD2 4.1Å; R131-E179 IonicContact CZ-OE1 3.83Å; R131-E179 IonicContact CZ-OE2 3.19Å; R131-E179 IonicContact NE-OE1 2.71Å; R131-E179 IonicContact NH2-OE1 3.75Å; R131-E179 PolarHBondContact NH2-OE1 3.44Å; R131-E179 IonicContact NH2-OE2 2.83Å; R131-E179 PolarHBondContact NH2-OE2 3.27Å |
| 132 | G | 92.5 | Very high | 94.2 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | N128 A129 L130 | N128-G132 PolarHBondContact O-N 2.84Å; A129-G132 PolarHBondContact O-N 2.77Å; L130-G132 VanDerWaalsContact C-N 3.29Å; L130-G132 PolarHBondContact O-N 3.19Å |
| 133 | L | 94.1 | Very high | 94.2 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 176.6 | -67.7 | 172.7 | 0 | 0 | 0 | 112.4 | F112 R115 A129 L130 R131 G135 K136 C137 | F112-L133 HydrophobicContact CB-CB 4.32Å; F112-L133 HydrophobicContact CD2-CB 4.15Å; R115-L133 HydrophobicContact CB-CD1 3.71Å; R115-L133 HydrophobicContact CG-CD1 3.77Å; A129-L133 WeakPolarHBondContact O-CG 3.43Å; A129-L133 PolarHBondContact O-N 2.72Å; A129-L133 VanDerWaalsContact O-N 3.11Å; L130-L133 PolarHBondContact O-N 2.85Å; R131-L133 PolarHBondContact O-N 2.83Å; L133-G135 PolarHBondContact O-N 2.72Å; L133-K136 PolarHBondContact O-N 3.05Å; L133-C137 PolarHBondContact O-SG 3.16Å |
| 134 | A | 94.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.3 | -27.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F112 L130 R131 K136 C137 F139 L143 L147 | F112-A134 HydrophobicContact CD2-CB 4.05Å; F112-A134 HydrophobicContact CE2-CB 3.85Å; L130-A134 WeakPolarHBondContact O-CB 3.42Å; L130-A134 PolarHBondContact O-N 3.01Å; R131-A134 PolarHBondContact O-N 2.83Å; A134-K136 PolarHBondContact O-N 3.46Å; A134-K136 VanDerWaalsContact O-N 3.17Å; A134-C137 WeakPolarHBondContact O-CB 3.39Å; A134-C137 PolarHBondContact O-N 2.95Å; A134-F139 HydrophobicContact CB-CD2 4.13Å; A134-F139 HydrophobicContact CB-CE2 4.11Å; A134-L143 HydrophobicContact CB-CD1 3.57Å; A134-L147 HydrophobicContact CB-CD2 4.09Å; A134-L147 HydrophobicContact CB-CG 4.37Å |
| 135 | G | 87.8 | Confident | 94.3 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 71% | 0.711 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -26.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R131 L133 | R131-G135 PolarHBondContact O-N 3.05Å; L133-G135 PolarHBondContact O-N 2.72Å |
| 136 | K | 86.3 | Confident | 94.3 | Very high | 82 Ų | 82 | 58.5 Ų | 58.5 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -5.7 | 178.5 | -59.7 | 179.8 | -179.3 | 180 | 0 | 113.5 | E31 D108 L133 A134 D138 | E31-K136 IonicContact OE1-NZ 3.99Å; E31-K136 PolarHBondContact OE1-NZ 3.35Å; E31-K136 WeakPolarHBondContact OE2-CE 3.31Å; E31-K136 IonicContact OE2-NZ 2.64Å; E31-K136 PolarHBondContact OE2-NZ 2.92Å; D108-K136 HydrophobicContact CB-CB 3.99Å; L133-K136 PolarHBondContact O-N 3.05Å; A134-K136 PolarHBondContact O-N 3.46Å; A134-K136 VanDerWaalsContact O-N 3.17Å; K136-D138 PolarHBondContact O-N 3.46Å |
| 137 | C | 91.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -86 | -5.5 | -171.1 | -69.3 | 0 | 0 | 0 | 0 | 114.6 | V105 D108 R109 L133 A134 F139 | V105-C137 WeakPolarHBondContact CG1-O 3.5Å; D108-C137 VanDerWaalsContact C-SG 3.56Å; D108-C137 PolarHBondContact O-SG 2.6Å; R109-C137 HydrophobicContact CG-CB 3.83Å; R109-C137 PolarHBondContact NE-O 3.16Å; R109-C137 PolarHBondContact NH2-O 3.13Å; L133-C137 PolarHBondContact O-SG 3.16Å; A134-C137 WeakPolarHBondContact O-CB 3.39Å; A134-C137 PolarHBondContact O-N 2.95Å; C137-F139 VanDerWaalsContact C-N 3.32Å; C137-F139 HydrophobicContact CB-CD1 4.12Å; C137-F139 HydrophobicContact CB-CD2 3.59Å; C137-F139 HydrophobicContact CB-CE1 3.86Å; C137-F139 HydrophobicContact CB-CE2 3.3Å; C137-F139 HydrophobicContact CB-CG 4Å; C137-F139 HydrophobicContact CB-CZ 3.45Å; C137-F139 VanDerWaalsContact CB-CZ 3.45Å; C137-F139 PolarHBondContact O-N 2.89Å |
| 138 | D | 91.3 | Very high | 94.3 | Very high | 99 Ų | 99 | 60 Ų | 60 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | trans | 44.2 | 56 | -173.7 | -173.8 | 17.7 | 0 | 0 | 0 | 112.1 | V105 R109 K136 S140 | V105-D138 HydrophobicContact CG1-CB 4.22Å; V105-D138 HydrophobicContact CG2-CB 4.44Å; R109-D138 PolarHBondContact NH2-O 3.25Å; K136-D138 PolarHBondContact O-N 3.46Å; D138-S140 PolarHBondContact OD1-OG 3.38Å; D138-S140 VanDerWaalsContact OD1-OG 3.11Å | ||
| 139 | F | 94.7 | Very high | 94.3 | Very high | 17 Ų | 17 | 59 Ų | 59 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | trans | -77.8 | -11.7 | 176.7 | -69.1 | -46.6 | 0 | 0 | 0 | 112.9 | R109 F112 A134 C137 N141 A142 L143 R146 | R109-F139 HydrophobicContact CG-CE1 3.84Å; R109-F139 HydrophobicContact CG-CZ 4.11Å; F112-F139 AromaticContact CD1-CE2 3.93Å; F112-F139 HydrophobicContact CD1-CE2 3.93Å; F112-F139 AromaticContact CD1-CZ 3.66Å; F112-F139 HydrophobicContact CD1-CZ 3.66Å; F112-F139 HydrophobicContact CD2-CE2 4.16Å; F112-F139 AromaticContact CE1-CE2 3.87Å; F112-F139 HydrophobicContact CE1-CE2 3.87Å; F112-F139 AromaticContact CE1-CZ 3.82Å; F112-F139 HydrophobicContact CE1-CZ 3.82Å; F112-F139 HydrophobicContact CE2-CE2 4.12Å; F112-F139 HydrophobicContact CG-CE2 4.07Å; F112-F139 HydrophobicContact CG-CZ 4.1Å; F112-F139 AromaticContact CZ-CE2 3.97Å; F112-F139 HydrophobicContact CZ-CE2 3.97Å; F112-F139 HydrophobicContact CZ-CZ 4.39Å; A134-F139 HydrophobicContact CB-CD2 4.13Å; A134-F139 HydrophobicContact CB-CE2 4.11Å; C137-F139 VanDerWaalsContact C-N 3.32Å; C137-F139 HydrophobicContact CB-CD1 4.12Å; C137-F139 HydrophobicContact CB-CD2 3.59Å; C137-F139 HydrophobicContact CB-CE1 3.86Å; C137-F139 HydrophobicContact CB-CE2 3.3Å; C137-F139 HydrophobicContact CB-CG 4Å; C137-F139 HydrophobicContact CB-CZ 3.45Å; C137-F139 VanDerWaalsContact CB-CZ 3.45Å; C137-F139 PolarHBondContact O-N 2.89Å; F139-N141 PolarHBondContact O-N 2.83Å; F139-A142 WeakPolarHBondContact O-CB 3.29Å; F139-A142 PolarHBondContact O-N 3.29Å; F139-L143 HydrophobicContact CB-CB 4.17Å; F139-L143 HydrophobicContact CB-CD1 4.43Å; F139-L143 HydrophobicContact CD2-CD1 4.02Å; F139-R146 HydrophobicContact CB-CG 4.46Å; F139-R146 HydrophobicContact CD1-CB 4.26Å; F139-R146 HydrophobicContact CD1-CG 3.74Å; F139-R146 HydrophobicContact CD2-CB 3.95Å; F139-R146 HydrophobicContact CD2-CG 4.29Å; F139-R146 HydrophobicContact CE1-CB 4.27Å; F139-R146 HydrophobicContact CE1-CG 3.94Å; F139-R146 HydrophobicContact CE2-CB 3.95Å; F139-R146 HydrophobicContact CE2-CG 4.46Å; F139-R146 HydrophobicContact CG-CB 4.11Å; F139-R146 HydrophobicContact CG-CG 3.93Å; F139-R146 HydrophobicContact CZ-CB 4.12Å; F139-R146 HydrophobicContact CZ-CG 4.3Å | ||
| 140 | S | 93.2 | Very high | 94.4 | Very high | 86 Ų | 86 | 57.8 Ų | 57.8 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | 48.4 | -129.3 | -179 | -69.8 | 0 | 0 | 0 | 0 | 110.5 | D138 A142 L143 | D138-S140 PolarHBondContact OD1-OG 3.38Å; D138-S140 VanDerWaalsContact OD1-OG 3.11Å; S140-A142 PolarHBondContact O-N 3.32Å; S140-A142 VanDerWaalsContact O-N 3.16Å; S140-L143 PolarHBondContact O-N 2.8Å |
| 141 | N | 94.7 | Very high | 94.3 | Very high | 175 Ų | 175 | 57.8 Ų | 57.8 | 94% | 0.936 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -67.7 | -12.4 | -179 | -62.1 | -20.8 | 0 | 0 | 0 | 114.4 | F139 | F139-N141 PolarHBondContact O-N 2.83Š|
| 142 | A | 95.5 | Very high | 94.3 | Very high | 32 Ų | 32 | 54.2 Ų | 54.2 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -88.9 | 0.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | F139 S140 S144 E145 R146 | F139-A142 WeakPolarHBondContact O-CB 3.29Å; F139-A142 PolarHBondContact O-N 3.29Å; S140-A142 PolarHBondContact O-N 3.32Å; S140-A142 VanDerWaalsContact O-N 3.16Å; A142-S144 PolarHBondContact O-N 3.03Å; A142-E145 WeakPolarHBondContact O-CB 3.46Å; A142-E145 PolarHBondContact O-N 2.96Å; A142-E145 VanDerWaalsContact O-N 3.12Å; A142-R146 HydrophobicContact CB-CG 4.24Å; A142-R146 VanDerWaalsContact O-CG 3.3Å; A142-R146 WeakPolarHBondContact O-CG 3.48Å; A142-R146 PolarHBondContact O-N 3.46Å |
| 143 | L | 95.4 | Very high | 94.5 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 37% | 0.372 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -51.6 | -51.5 | -174.2 | 175.3 | 60.7 | 0 | 0 | 0 | 113.3 | A134 F139 S140 E145 R146 L147 | A134-L143 HydrophobicContact CB-CD1 3.57Å; F139-L143 HydrophobicContact CB-CB 4.17Å; F139-L143 HydrophobicContact CB-CD1 4.43Å; F139-L143 HydrophobicContact CD2-CD1 4.02Å; S140-L143 PolarHBondContact O-N 2.8Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 PolarHBondContact O-N 2.64Å; L143-R146 PolarHBondContact O-N 3.37Å; L143-L147 HydrophobicContact CD1-CD1 3.79Å; L143-L147 HydrophobicContact CD1-CG 4.16Å; L143-L147 HydrophobicContact CG-CD1 4.02Å; L143-L147 WeakPolarHBondContact O-CB 3.36Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3Å |
| 144 | S | 95.5 | Very high | 94.6 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 53% | 0.531 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | -178.9 | -57 | 0 | 0 | 0 | 0 | 112.4 | A142 R148 | A142-S144 PolarHBondContact O-N 3.03Å; S144-R148 VanDerWaalsContact O-CB 3.32Å; S144-R148 WeakPolarHBondContact O-CB 3.49Å; S144-R148 PolarHBondContact O-N 3.31Å |
| 145 | E | 96.8 | Very high | 94.4 | Very high | 84 Ų | 84 | 53.7 Ų | 53.7 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.7 | -48.2 | 175.7 | -176 | -179.8 | 81.3 | 0 | 0 | 111 | A142 L143 L147 R148 D149 | A142-E145 WeakPolarHBondContact O-CB 3.46Å; A142-E145 PolarHBondContact O-N 2.96Å; A142-E145 VanDerWaalsContact O-N 3.12Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 PolarHBondContact O-N 2.64Å; E145-L147 PolarHBondContact O-N 2.82Å; E145-R148 WeakPolarHBondContact O-CB 3.46Å; E145-R148 PolarHBondContact O-N 3.42Å; E145-D149 VanDerWaalsContact O-CG 3.27Å; E145-D149 PolarHBondContact O-N 3.36Å |
| 146 | R | 97.5 | Very high | 94.4 | Very high | 116 Ų | 116 | 55.9 Ų | 55.9 | 44% | 0.438 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | -179 | -64.7 | -63.5 | 176.8 | 144.1 | -2.4 | 112.6 | F112 F139 A142 L143 Q150 | F112-R146 HydrophobicContact CE1-CB 4.41Å; F112-R146 HydrophobicContact CZ-CB 4.44Å; F112-R146 WeakPolarHBondContact CZ-O 3.4Å; F139-R146 HydrophobicContact CB-CG 4.46Å; F139-R146 HydrophobicContact CD1-CB 4.26Å; F139-R146 HydrophobicContact CD1-CG 3.74Å; F139-R146 HydrophobicContact CD2-CB 3.95Å; F139-R146 HydrophobicContact CD2-CG 4.29Å; F139-R146 HydrophobicContact CE1-CB 4.27Å; F139-R146 HydrophobicContact CE1-CG 3.94Å; F139-R146 HydrophobicContact CE2-CB 3.95Å; F139-R146 HydrophobicContact CE2-CG 4.46Å; F139-R146 HydrophobicContact CG-CB 4.11Å; F139-R146 HydrophobicContact CG-CG 3.93Å; F139-R146 HydrophobicContact CZ-CB 4.12Å; F139-R146 HydrophobicContact CZ-CG 4.3Å; A142-R146 HydrophobicContact CB-CG 4.24Å; A142-R146 VanDerWaalsContact O-CG 3.3Å; A142-R146 WeakPolarHBondContact O-CG 3.48Å; A142-R146 PolarHBondContact O-N 3.46Å; L143-R146 PolarHBondContact O-N 3.37Å; R146-Q150 VanDerWaalsContact O-CB 3.26Å; R146-Q150 WeakPolarHBondContact O-CB 3.4Å; R146-Q150 PolarHBondContact O-N 2.92Å |
| 147 | L | 97.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 172.6 | -79.6 | 167.6 | 0 | 0 | 0 | 111 | F112 L130 R131 A134 L143 E145 D149 Q150 V151 L175 | F112-L147 HydrophobicContact CE2-CD2 3.89Å; F112-L147 HydrophobicContact CZ-CD2 4.32Å; L130-L147 HydrophobicContact CB-CD2 3.9Å; R131-L147 HydrophobicContact CG-CD1 4.08Å; R131-L147 HydrophobicContact CG-CD2 4.1Å; A134-L147 HydrophobicContact CB-CD2 4.09Å; A134-L147 HydrophobicContact CB-CG 4.37Å; L143-L147 HydrophobicContact CD1-CD1 3.79Å; L143-L147 HydrophobicContact CD1-CG 4.16Å; L143-L147 HydrophobicContact CG-CD1 4.02Å; L143-L147 WeakPolarHBondContact O-CB 3.36Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3Å; E145-L147 PolarHBondContact O-N 2.82Å; L147-D149 PolarHBondContact O-N 3.06Å; L147-Q150 PolarHBondContact O-N 2.75Å; L147-V151 WeakPolarHBondContact O-CB 3.36Å; L147-V151 VanDerWaalsContact O-CG2 3.22Å; L147-V151 WeakPolarHBondContact O-CG2 3.17Å; L147-V151 PolarHBondContact O-N 2.94Å; L147-L175 HydrophobicContact CB-CD1 3.87Å; L147-L175 HydrophobicContact CB-CD2 3.72Å; L147-L175 HydrophobicContact CB-CG 4.41Å; L147-L175 HydrophobicContact CD1-CD2 3.86Å; L147-L175 HydrophobicContact CG-CD2 4.43Å |
| 148 | R | 96.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.4 | -49.8 | -179.5 | 178.5 | -157.7 | 66.3 | -158.3 | -3.2 | 110.9 | S144 E145 Q150 V151 V152 N171 A173 L175 V178 | S144-R148 VanDerWaalsContact O-CB 3.32Å; S144-R148 WeakPolarHBondContact O-CB 3.49Å; S144-R148 PolarHBondContact O-N 3.31Å; E145-R148 WeakPolarHBondContact O-CB 3.46Å; E145-R148 PolarHBondContact O-N 3.42Å; R148-Q150 PolarHBondContact O-N 3.15Å; R148-V151 PolarHBondContact O-N 3.35Å; R148-V152 PolarHBondContact O-N 3.26Å; R148-N171 PolarHBondContact NH1-O 3.35Å; R148-A173 WeakPolarHBondContact CD-O 3.29Å; R148-A173 PolarHBondContact NH1-O 3.43Å; R148-A173 VanDerWaalsContact NH1-O 3.09Å; R148-L175 HydrophobicContact CB-CB 4.28Å; R148-L175 HydrophobicContact CB-CD1 4.22Å; R148-V178 HydrophobicContact CG-CB 4.23Å; R148-V178 HydrophobicContact CG-CG2 3.65Å |
| 149 | D | 96.6 | Very high | 94.9 | Very high | 59 Ų | 59 | 59.1 Ų | 59.1 | 32% | 0.316 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | -178 | -64.5 | -7.2 | 0 | 0 | 0 | 110.8 | E145 L147 V151 V152 I153 | E145-D149 VanDerWaalsContact O-CG 3.27Å; E145-D149 PolarHBondContact O-N 3.36Å; L147-D149 PolarHBondContact O-N 3.06Å; D149-V151 VanDerWaalsContact C-N 3.31Å; D149-V151 PolarHBondContact O-N 2.91Å; D149-V152 PolarHBondContact O-N 2.8Å; D149-I153 VanDerWaalsContact O-CG1 3.29Å; D149-I153 WeakPolarHBondContact O-CG1 3.22Å; D149-I153 PolarHBondContact O-N 3.16Å |
| 150 | Q | 97.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.8 | -28 | 178.3 | -170.7 | 60 | 23.1 | 0 | 0 | 113 | F112 S113 R115 L130 R146 L147 R148 G154 | F112-Q150 HydrophobicContact CD1-CB 4.49Å; F112-Q150 HydrophobicContact CD1-CG 4.23Å; F112-Q150 HydrophobicContact CE1-CB 3.51Å; F112-Q150 HydrophobicContact CE1-CG 3.69Å; F112-Q150 HydrophobicContact CE2-CB 4.35Å; F112-Q150 HydrophobicContact CE2-CG 4.3Å; F112-Q150 HydrophobicContact CZ-CB 3.42Å; F112-Q150 VanDerWaalsContact CZ-CB 3.42Å; F112-Q150 HydrophobicContact CZ-CG 3.73Å; F112-Q150 PolarHBondContact O-NE2 3.33Å; S113-Q150 PolarHBondContact O-NE2 3Å; R115-Q150 PolarHBondContact O-NE2 3.19Å; R115-Q150 VanDerWaalsContact O-NE2 3.12Å; L130-Q150 HydrophobicContact CD1-CB 4.32Å; L130-Q150 HydrophobicContact CD1-CG 3.96Å; L130-Q150 HydrophobicContact CD2-CG 3.51Å; L130-Q150 HydrophobicContact CG-CG 4.41Å; R146-Q150 VanDerWaalsContact O-CB 3.26Å; R146-Q150 WeakPolarHBondContact O-CB 3.4Å; R146-Q150 PolarHBondContact O-N 2.92Å; L147-Q150 PolarHBondContact O-N 2.75Å; R148-Q150 PolarHBondContact O-N 3.15Å; Q150-G154 VanDerWaalsContact O-CA 3.28Å; Q150-G154 WeakPolarHBondContact O-CA 3.39Å; Q150-G154 PolarHBondContact O-N 2.96Å |
| 151 | V | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 171.6 | 165.1 | 0 | 0 | 0 | 0 | 109.8 | V127 L130 L147 R148 D149 F155 L175 V178 | V127-V151 HydrophobicContact CG2-CG2 3.95Å; L130-V151 HydrophobicContact CD1-CG2 3.83Å; L147-V151 WeakPolarHBondContact O-CB 3.36Å; L147-V151 VanDerWaalsContact O-CG2 3.22Å; L147-V151 WeakPolarHBondContact O-CG2 3.17Å; L147-V151 PolarHBondContact O-N 2.94Å; R148-V151 PolarHBondContact O-N 3.35Å; D149-V151 VanDerWaalsContact C-N 3.31Å; D149-V151 PolarHBondContact O-N 2.91Å; V151-F155 HydrophobicContact CG1-CD2 4.27Å; V151-F155 HydrophobicContact CG1-CE2 3.33Å; V151-F155 HydrophobicContact CG1-CZ 3.6Å; V151-F155 WeakPolarHBondContact O-CD2 3.39Å; V151-F155 VanDerWaalsContact O-CE2 3.28Å; V151-F155 WeakPolarHBondContact O-CE2 3.28Å; V151-F155 WeakPolarHBondContact O-CG 3.2Å; V151-F155 PolarHBondContact O-N 2.84Å; V151-L175 HydrophobicContact CG2-CD1 4.2Å; V151-V178 HydrophobicContact CB-CG1 4.43Å; V151-V178 HydrophobicContact CG1-CG1 3.78Å |
| 152 | V | 95.9 | Very high | 95.1 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.3 | -49.4 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | R148 D149 Q161 L165 V178 | R148-V152 PolarHBondContact O-N 3.26Å; D149-V152 PolarHBondContact O-N 2.8Å; V152-Q161 WeakPolarHBondContact O-CG 2.88Å; V152-Q161 PolarHBondContact O-NE2 2.97Å; V152-Q161 VanDerWaalsContact O-NE2 3.16Å; V152-L165 HydrophobicContact CG1-CD2 4.26Å; V152-L165 HydrophobicContact CG1-CG 4.43Å; V152-V178 HydrophobicContact CG2-CG1 3.73Å |
| 153 | I | 95.4 | Very high | 95.1 | Very high | 88 Ų | 88 | 56.3 Ų | 56.3 | 45% | 0.451 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | -178.7 | -66.4 | 163.7 | 0 | 0 | 0 | 110.9 | F116 D149 F155 Q161 | F116-I153 HydrophobicContact CE1-CG2 4.38Å; D149-I153 VanDerWaalsContact O-CG1 3.29Å; D149-I153 WeakPolarHBondContact O-CG1 3.22Å; D149-I153 PolarHBondContact O-N 3.16Å; I153-F155 VanDerWaalsContact C-N 3.35Å; I153-F155 PolarHBondContact O-N 3.24Å; I153-Q161 PolarHBondContact O-NE2 3.45Å |
| 154 | G | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -80.1 | -9.3 | -168 | 0 | 0 | 0 | 0 | 0 | 114.5 | F116 R117 Q150 N156 | F116-G154 CarbonylContact C-O 3.45Å; F116-G154 WeakPolarHBondContact CA-O 3.2Å; R117-G154 PolarHBondContact N-O 3.4Å; Q150-G154 VanDerWaalsContact O-CA 3.28Å; Q150-G154 WeakPolarHBondContact O-CA 3.39Å; Q150-G154 PolarHBondContact O-N 2.96Å; G154-N156 PolarHBondContact O-N 3.1Å; G154-N156 VanDerWaalsContact O-N 3.11Å |
| 155 | F | 91.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.3 | 175.8 | -84.4 | -50.2 | 0 | 0 | 0 | 114.5 | R117 V123 F126 V151 I153 N157 W160 L164 A182 | R117-F155 HydrophobicContact CB-CD1 4.34Å; V123-F155 HydrophobicContact CB-CE1 4.39Å; V123-F155 HydrophobicContact CG1-CE1 4.2Å; V123-F155 HydrophobicContact CG1-CZ 4.01Å; V123-F155 HydrophobicContact CG2-CE1 3.82Å; V123-F155 HydrophobicContact CG2-CZ 4.21Å; F126-F155 HydrophobicContact CD1-CD1 4.14Å; F126-F155 AromaticContact CD1-CE1 3.76Å; F126-F155 HydrophobicContact CD1-CE1 3.76Å; F126-F155 HydrophobicContact CD1-CZ 4.37Å; F126-F155 HydrophobicContact CE1-CD1 4.16Å; F126-F155 HydrophobicContact CE1-CE1 4.07Å; F126-F155 HydrophobicContact CE1-CZ 4.48Å; V151-F155 HydrophobicContact CG1-CD2 4.27Å; V151-F155 HydrophobicContact CG1-CE2 3.33Å; V151-F155 HydrophobicContact CG1-CZ 3.6Å; V151-F155 WeakPolarHBondContact O-CD2 3.39Å; V151-F155 VanDerWaalsContact O-CE2 3.28Å; V151-F155 WeakPolarHBondContact O-CE2 3.28Å; V151-F155 WeakPolarHBondContact O-CG 3.2Å; V151-F155 PolarHBondContact O-N 2.84Å; I153-F155 VanDerWaalsContact C-N 3.35Å; I153-F155 PolarHBondContact O-N 3.24Å; F155-N157 PolarHBondContact O-N 2.96Å; F155-W160 HydrophobicContact CB-CE3 4.5Å; F155-W160 AromaticContact CD1-CE3 3.9Å; F155-W160 HydrophobicContact CD1-CE3 3.9Å; F155-W160 AromaticContact CD1-CZ3 3.95Å; F155-W160 HydrophobicContact CD1-CZ3 3.95Å; F155-W160 HydrophobicContact CD2-CE3 4.44Å; F155-W160 HydrophobicContact CE1-CE3 4.31Å; F155-W160 HydrophobicContact CE1-CZ3 4.05Å; F155-W160 HydrophobicContact CG-CE3 4.02Å; F155-L164 HydrophobicContact CD2-CD1 3.61Å; F155-L164 HydrophobicContact CE2-CD1 3.78Å; F155-A182 HydrophobicContact CD2-CB 4.44Å; F155-A182 HydrophobicContact CE1-CB 4.13Å; F155-A182 HydrophobicContact CE2-CB 3.31Å; F155-A182 HydrophobicContact CZ-CB 3.14Å |
| 156 | N | 87.8 | Confident | 95.3 | Very high | 116 Ų | 116 | 58.5 Ų | 58.5 | 62% | 0.62 | 29% | 0.287 | S | S | * | . | trans | 49.6 | 36.2 | 177.4 | -163.9 | 26.8 | 0 | 0 | 0 | 113.2 | F116 G154 | F116-N156 HydrophobicContact CB-CB 4.16Å; F116-N156 HydrophobicContact CD1-CB 3.99Å; F116-N156 HydrophobicContact CG-CB 4.44Å; G154-N156 PolarHBondContact O-N 3.1Å; G154-N156 VanDerWaalsContact O-N 3.11Å | ||
| 157 | N | 91.3 | Very high | 95.3 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 21% | 0.214 | 28% | 0.281 | C | S | . | . | trans | -137.2 | 109 | 177.3 | 179.7 | -39 | 0 | 0 | 0 | 107.3 | F155 T159 W160 Q161 | F155-N157 PolarHBondContact O-N 2.96Å; N157-T159 VanDerWaalsContact C-N 3.28Å; N157-T159 PolarHBondContact O-N 2.65Å; N157-T159 WeakPolarHBondContact OD1-CB 3.39Å; N157-T159 PolarHBondContact OD1-N 3.33Å; N157-W160 HydrophobicContact CB-CB 4.07Å; N157-W160 HydrophobicContact CB-CG 4.08Å; N157-W160 PolarHBondContact O-N 3.12Å; N157-W160 PolarHBondContact OD1-N 2.97Å; N157-W160 VanDerWaalsContact OD1-N 3.1Å; N157-Q161 WeakPolarHBondContact O-CG 3.3Å; N157-Q161 PolarHBondContact O-N 3.04Å | ||
| 158 | V | 93.4 | Very high | 95.2 | Very high | 109 Ų | 109 | 58 Ų | 58 | 66% | 0.661 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.8 | -37.8 | -173.8 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | Q161 Q162 | V158-Q161 PolarHBondContact O-N 3.26Å; V158-Q162 WeakPolarHBondContact O-CB 3.4Å; V158-Q162 PolarHBondContact O-N 3.48Å |
| 159 | T | 94.2 | Very high | 95.2 | Very high | 100 Ų | 100 | 62.1 Ų | 62.1 | 61% | 0.613 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.9 | -43.7 | 179.2 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | N157 Q162 E163 | N157-T159 VanDerWaalsContact C-N 3.28Å; N157-T159 PolarHBondContact O-N 2.65Å; N157-T159 WeakPolarHBondContact OD1-CB 3.39Å; N157-T159 PolarHBondContact OD1-N 3.33Å; T159-Q162 PolarHBondContact O-N 3.34Å; T159-E163 PolarHBondContact O-N 3.14Å; T159-E163 VanDerWaalsContact O-N 3.11Å |
| 160 | W | 95.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 176.3 | -73 | 24.6 | 0 | 0 | 0 | 111.7 | R117 V123 F155 N157 Q162 E163 L164 L185 E186 E189 | R117-W160 VanDerWaalsContact CZ-CZ3 3.45Å; V123-W160 HydrophobicContact CG2-CH2 4.03Å; V123-W160 HydrophobicContact CG2-CZ3 3.68Å; F155-W160 HydrophobicContact CB-CE3 4.5Å; F155-W160 AromaticContact CD1-CE3 3.9Å; F155-W160 HydrophobicContact CD1-CE3 3.9Å; F155-W160 AromaticContact CD1-CZ3 3.95Å; F155-W160 HydrophobicContact CD1-CZ3 3.95Å; F155-W160 HydrophobicContact CD2-CE3 4.44Å; F155-W160 HydrophobicContact CE1-CE3 4.31Å; F155-W160 HydrophobicContact CE1-CZ3 4.05Å; F155-W160 HydrophobicContact CG-CE3 4.02Å; N157-W160 HydrophobicContact CB-CB 4.07Å; N157-W160 HydrophobicContact CB-CG 4.08Å; N157-W160 PolarHBondContact O-N 3.12Å; N157-W160 PolarHBondContact OD1-N 2.97Å; N157-W160 VanDerWaalsContact OD1-N 3.1Å; W160-Q162 VanDerWaalsContact C-N 3.34Å; W160-Q162 PolarHBondContact O-N 3.21Å; W160-E163 PolarHBondContact O-N 2.93Å; W160-L164 WeakPolarHBondContact O-CB 3.24Å; W160-L164 VanDerWaalsContact O-CG 3.28Å; W160-L164 WeakPolarHBondContact O-CG 3.39Å; W160-L164 PolarHBondContact O-N 2.93Å; W160-L185 HydrophobicContact CB-CD1 3.96Å; W160-L185 HydrophobicContact CD2-CB 3.84Å; W160-L185 HydrophobicContact CD2-CD1 4.18Å; W160-L185 HydrophobicContact CE3-CB 4.2Å; W160-L185 HydrophobicContact CE3-CD1 4.47Å; W160-L185 HydrophobicContact CG-CB 4.25Å; W160-L185 HydrophobicContact CG-CD1 3.96Å; W160-L185 HydrophobicContact CH2-CB 4.43Å; W160-L185 HydrophobicContact CZ2-CB 4.05Å; W160-L185 HydrophobicContact CZ3-CB 4.47Å; W160-E186 VanDerWaalsContact CH2-CA 3.46Å; W160-E186 HydrophobicContact CH2-CB 3.63Å; W160-E186 HydrophobicContact CH2-CG 4.39Å; W160-E186 HydrophobicContact CZ2-CB 4.25Å; W160-E186 HydrophobicContact CZ3-CB 4.48Å; W160-E189 HydrophobicContact CZ2-CB 4.37Å; W160-E189 WeakPolarHBondContact CZ2-OE2 3.46Å |
| 161 | Q | 95.9 | Very high | 94.9 | Very high | 49 Ų | 49 | 67.8 Ų | 67.8 | 23% | 0.229 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.1 | -75.4 | 174.8 | -27.9 | 0 | 0 | 111.5 | V152 I153 N157 V158 E163 L164 L165 | V152-Q161 WeakPolarHBondContact O-CG 2.88Å; V152-Q161 PolarHBondContact O-NE2 2.97Å; V152-Q161 VanDerWaalsContact O-NE2 3.16Å; I153-Q161 PolarHBondContact O-NE2 3.45Å; N157-Q161 WeakPolarHBondContact O-CG 3.3Å; N157-Q161 PolarHBondContact O-N 3.04Å; V158-Q161 PolarHBondContact O-N 3.26Å; Q161-E163 VanDerWaalsContact C-N 3.31Å; Q161-E163 PolarHBondContact O-N 3.36Å; Q161-L164 PolarHBondContact O-N 3.42Å; Q161-L165 VanDerWaalsContact O-CB 3.32Å; Q161-L165 WeakPolarHBondContact O-CB 3.36Å; Q161-L165 WeakPolarHBondContact O-CG 3.42Å; Q161-L165 PolarHBondContact O-N 3.49Å |
| 162 | Q | 96.3 | Very high | 94.9 | Very high | 136 Ų | 136 | 71.5 Ų | 71.5 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.6 | -45.3 | 176.5 | -178.4 | 179.2 | -1.3 | 0 | 0 | 111.5 | V158 T159 W160 R166 | V158-Q162 WeakPolarHBondContact O-CB 3.4Å; V158-Q162 PolarHBondContact O-N 3.48Å; T159-Q162 PolarHBondContact O-N 3.34Å; W160-Q162 VanDerWaalsContact C-N 3.34Å; W160-Q162 PolarHBondContact O-N 3.21Å; Q162-R166 WeakPolarHBondContact O-CB 3.02Å; Q162-R166 PolarHBondContact O-N 2.91Å |
| 163 | E | 96.2 | Very high | 95 | Very high | 51 Ų | 51 | 70.8 Ų | 70.8 | 24% | 0.238 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.3 | -40.9 | -179.3 | -178.3 | 51.6 | -156.7 | 0 | 0 | 112.5 | T159 W160 Q161 R166 Q167 L185 | T159-E163 PolarHBondContact O-N 3.14Å; T159-E163 VanDerWaalsContact O-N 3.11Å; W160-E163 PolarHBondContact O-N 2.93Å; Q161-E163 VanDerWaalsContact C-N 3.31Å; Q161-E163 PolarHBondContact O-N 3.36Å; E163-R166 WeakPolarHBondContact O-CB 3.36Å; E163-R166 PolarHBondContact O-N 3.46Å; E163-R166 IonicContact OE1-CZ 3.53Å; E163-R166 IonicContact OE1-NE 3.63Å; E163-R166 IonicContact OE1-NH2 2.67Å; E163-R166 PolarHBondContact OE1-NH2 3.25Å; E163-R166 IonicContact OE2-CZ 3.46Å; E163-R166 IonicContact OE2-NE 2.81Å; E163-R166 PolarHBondContact OE2-NE 3.48Å; E163-R166 IonicContact OE2-NH2 3.26Å; E163-R166 PolarHBondContact OE2-NH2 3.34Å; E163-Q167 WeakPolarHBondContact O-CG 3.32Å; E163-Q167 PolarHBondContact O-N 2.72Å; E163-Q167 PolarHBondContact OE1-NE2 3Å; E163-L185 HydrophobicContact CB-CD2 4.34Å; E163-L185 HydrophobicContact CG-CD2 3.79Å |
| 164 | L | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 175.1 | -70 | 172.4 | 0 | 0 | 0 | 111.8 | F155 W160 Q161 R166 Q167 F168 A181 L185 | F155-L164 HydrophobicContact CD2-CD1 3.61Å; F155-L164 HydrophobicContact CE2-CD1 3.78Å; W160-L164 WeakPolarHBondContact O-CB 3.24Å; W160-L164 VanDerWaalsContact O-CG 3.28Å; W160-L164 WeakPolarHBondContact O-CG 3.39Å; W160-L164 PolarHBondContact O-N 2.93Å; Q161-L164 PolarHBondContact O-N 3.42Å; L164-R166 VanDerWaalsContact C-N 3.29Å; L164-R166 PolarHBondContact O-N 2.86Å; L164-Q167 PolarHBondContact O-N 3.24Å; L164-F168 HydrophobicContact CD2-CD2 4.43Å; L164-F168 HydrophobicContact CD2-CE2 4.1Å; L164-F168 WeakPolarHBondContact O-CD2 3.33Å; L164-F168 PolarHBondContact O-N 3.18Å; L164-A181 HydrophobicContact CD2-CB 3.65Å; L164-L185 HydrophobicContact CD1-CD1 4.49Å; L164-L185 HydrophobicContact CD2-CD1 4.11Å; L164-L185 HydrophobicContact CG-CD1 3.97Å |
| 165 | L | 96.3 | Very high | 95.1 | Very high | 107 Ų | 107 | 71.1 Ų | 71.1 | 56% | 0.56 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66 | -32.4 | 176.8 | -69.6 | 170.7 | 0 | 0 | 0 | 112 | V152 Q161 F168 | V152-L165 HydrophobicContact CG1-CD2 4.26Å; V152-L165 HydrophobicContact CG1-CG 4.43Å; Q161-L165 VanDerWaalsContact O-CB 3.32Å; Q161-L165 WeakPolarHBondContact O-CB 3.36Å; Q161-L165 WeakPolarHBondContact O-CG 3.42Å; Q161-L165 PolarHBondContact O-N 3.49Å; L165-F168 CarbonylContact O-C 3.43Å |
| 166 | R | 97.6 | Very high | 95.3 | Very high | 169 Ų | 169 | 76.9 Ų | 76.9 | 64% | 0.638 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.9 | -41.9 | 173.1 | -171.1 | -172.1 | 71.7 | 79.2 | -0.8 | 111.8 | Q162 E163 L164 | Q162-R166 WeakPolarHBondContact O-CB 3.02Å; Q162-R166 PolarHBondContact O-N 2.91Å; E163-R166 WeakPolarHBondContact O-CB 3.36Å; E163-R166 PolarHBondContact O-N 3.46Å; E163-R166 IonicContact OE1-CZ 3.53Å; E163-R166 IonicContact OE1-NE 3.63Å; E163-R166 IonicContact OE1-NH2 2.67Å; E163-R166 PolarHBondContact OE1-NH2 3.25Å; E163-R166 IonicContact OE2-CZ 3.46Å; E163-R166 IonicContact OE2-NE 2.81Å; E163-R166 PolarHBondContact OE2-NE 3.48Å; E163-R166 IonicContact OE2-NH2 3.26Å; E163-R166 PolarHBondContact OE2-NH2 3.34Å; L164-R166 VanDerWaalsContact C-N 3.29Å; L164-R166 PolarHBondContact O-N 2.86Å |
| 167 | Q | 97.4 | Very high | 95.8 | Very high | 66 Ų | 66 | 75.5 Ų | 75.5 | 31% | 0.308 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.3 | -35.5 | 178 | -71.9 | -177.5 | 40.7 | 0 | 0 | 112.4 | E163 L164 P169 | E163-Q167 WeakPolarHBondContact O-CG 3.32Å; E163-Q167 PolarHBondContact O-N 2.72Å; E163-Q167 PolarHBondContact OE1-NE2 3Å; L164-Q167 PolarHBondContact O-N 3.24Å; Q167-P169 VanDerWaalsContact C-CD 3.48Å; Q167-P169 WeakPolarHBondContact O-CD 3.43Å |
| 168 | F | 96.9 | Very high | 96.1 | Very high | 47 Ų | 47 | 73.7 Ų | 73.7 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | trans | -124.9 | 71.8 | -174.5 | -50.4 | -63.2 | 0 | 0 | 0 | 111.4 | L164 L165 S170 A173 Q177 V178 A181 | L164-F168 HydrophobicContact CD2-CD2 4.43Å; L164-F168 HydrophobicContact CD2-CE2 4.1Å; L164-F168 WeakPolarHBondContact O-CD2 3.33Å; L164-F168 PolarHBondContact O-N 3.18Å; L165-F168 CarbonylContact O-C 3.43Å; F168-S170 PolarHBondContact O-N 2.87Å; F168-A173 HydrophobicContact CB-CB 4.02Å; F168-A173 HydrophobicContact CD1-CB 3.4Å; F168-A173 VanDerWaalsContact CD1-CB 3.4Å; F168-A173 HydrophobicContact CE1-CB 3.98Å; F168-A173 HydrophobicContact CG-CB 3.78Å; F168-Q177 HydrophobicContact CE1-CB 4.21Å; F168-Q177 HydrophobicContact CZ-CB 4.26Å; F168-V178 HydrophobicContact CD2-CG2 3.92Å; F168-V178 HydrophobicContact CE2-CB 4.49Å; F168-V178 HydrophobicContact CE2-CG2 3.99Å; F168-V178 HydrophobicContact CG-CG2 4.39Å; F168-V178 HydrophobicContact CZ-CG2 4.5Å; F168-A181 HydrophobicContact CE2-CB 3.61Å; F168-A181 HydrophobicContact CZ-CB 3.85Å | ||
| 169 | P | 95 | Very high | 96.2 | Very high | 113 Ų | 113 | 70 Ų | 70 | 73% | 0.734 | 37% | 0.371 | S | S | * | . | trans | -74.4 | -4.8 | -176.2 | 30.9 | -37.5 | 0 | 0 | 0 | 114.3 | Q167 | Q167-P169 VanDerWaalsContact C-CD 3.48Å; Q167-P169 WeakPolarHBondContact O-CD 3.43Å | ||
| 170 | S | 95.7 | Very high | 96.4 | Very high | 72 Ų | 72 | 69.3 Ų | 69.3 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -135.2 | 171.2 | 179 | 69.6 | 0 | 0 | 0 | 0 | 110.6 | F168 A172 | F168-S170 PolarHBondContact O-N 2.87Å; S170-A172 PolarHBondContact O-N 3.33Å; S170-A172 WeakPolarHBondContact OG-CB 3.26Å; S170-A172 PolarHBondContact OG-N 3.18Å |
| 171 | N | 93.6 | Very high | 96.5 | Very high | 114 Ų | 114 | 68.6 Ų | 68.6 | 61% | 0.61 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 12.8 | 176.9 | 68.9 | -19.3 | 0 | 0 | 0 | 114.1 | R148 A173 | R148-N171 PolarHBondContact NH1-O 3.35Å; N171-A173 VanDerWaalsContact C-N 3.3Å; N171-A173 PolarHBondContact O-N 2.95Å |
| 172 | A | 96 | Very high | 96.5 | Very high | 80 Ų | 80 | 66.3 Ų | 66.3 | 66% | 0.661 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -23.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S170 | S170-A172 PolarHBondContact O-N 3.33Å; S170-A172 WeakPolarHBondContact OG-CB 3.26Å; S170-A172 PolarHBondContact OG-N 3.18Å |
| 173 | A | 96.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 62.3 Ų | 62.3 | 8% | 0.083 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -68.2 | 137.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R148 F168 N171 V178 | R148-A173 WeakPolarHBondContact CD-O 3.29Å; R148-A173 PolarHBondContact NH1-O 3.43Å; R148-A173 VanDerWaalsContact NH1-O 3.09Å; F168-A173 HydrophobicContact CB-CB 4.02Å; F168-A173 HydrophobicContact CD1-CB 3.4Å; F168-A173 VanDerWaalsContact CD1-CB 3.4Å; F168-A173 HydrophobicContact CE1-CB 3.98Å; F168-A173 HydrophobicContact CG-CB 3.78Å; N171-A173 VanDerWaalsContact C-N 3.3Å; N171-A173 PolarHBondContact O-N 2.95Å; A173-V178 HydrophobicContact CB-CG2 4.06Å |
| 174 | T | 97.3 | Very high | 96.5 | Very high | 72 Ų | 72 | 66 Ų | 66 | 44% | 0.442 | 35% | 0.346 | S | S | . | . | trans | -78.1 | 159.8 | 170.3 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | Q176 Q177 V178 | T174-Q176 VanDerWaalsContact C-N 3.26Å; T174-Q176 PolarHBondContact O-N 3.16Å; T174-Q177 PolarHBondContact O-N 2.97Å; T174-Q177 VanDerWaalsContact OG1-CG 3.32Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.46Å; T174-Q177 PolarHBondContact OG1-N 3.2Å; T174-Q177 PolarHBondContact OG1-OE1 2.96Å; T174-V178 PolarHBondContact O-N 2.91Å | ||
| 175 | L | 95.9 | Very high | 96.5 | Very high | 24 Ų | 24 | 67.4 Ų | 67.4 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -52.5 | -46.3 | 171.7 | 172.7 | 60.5 | 0 | 0 | 0 | 111.7 | L147 R148 V151 Q177 V178 E179 | L147-L175 HydrophobicContact CB-CD1 3.87Å; L147-L175 HydrophobicContact CB-CD2 3.72Å; L147-L175 HydrophobicContact CB-CG 4.41Å; L147-L175 HydrophobicContact CD1-CD2 3.86Å; L147-L175 HydrophobicContact CG-CD2 4.43Å; R148-L175 HydrophobicContact CB-CB 4.28Å; R148-L175 HydrophobicContact CB-CD1 4.22Å; V151-L175 HydrophobicContact CG2-CD1 4.2Å; L175-Q177 PolarHBondContact O-N 3.17Å; L175-V178 PolarHBondContact O-N 2.85Å; L175-E179 HydrophobicContact CD1-CG 4Å; L175-E179 WeakPolarHBondContact CD1-OE1 3.42Å; L175-E179 WeakPolarHBondContact CD2-OE1 3.44Å; L175-E179 HydrophobicContact CG-CG 4.35Å; L175-E179 WeakPolarHBondContact CG-OE1 3.41Å; L175-E179 WeakPolarHBondContact O-CG 3.47Å; L175-E179 PolarHBondContact O-N 2.93Å |
| 176 | Q | 96.8 | Very high | 96.4 | Very high | 123 Ų | 123 | 64.5 Ų | 64.5 | 58% | 0.575 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.4 | -45.6 | -179.4 | -178.2 | -178.2 | -7.8 | 0 | 0 | 112.2 | T174 V178 E179 E180 | T174-Q176 VanDerWaalsContact C-N 3.26Å; T174-Q176 PolarHBondContact O-N 3.16Å; Q176-V178 VanDerWaalsContact C-N 3.29Å; Q176-V178 PolarHBondContact O-N 3.39Å; Q176-E179 PolarHBondContact O-N 3.24Å; Q176-E180 HydrophobicContact CG-CG 4.43Å; Q176-E180 WeakPolarHBondContact CG-OE1 3.33Å; Q176-E180 PolarHBondContact NE2-OE1 3Å; Q176-E180 WeakPolarHBondContact O-CG 3.32Å; Q176-E180 PolarHBondContact O-N 3.01Å |
| 177 | Q | 98.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 61.1 Ų | 61.1 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 179.2 | -73.9 | 167 | -46.1 | 0 | 0 | 112.3 | F168 T174 L175 A181 | F168-Q177 HydrophobicContact CE1-CB 4.21Å; F168-Q177 HydrophobicContact CZ-CB 4.26Å; T174-Q177 PolarHBondContact O-N 2.97Å; T174-Q177 VanDerWaalsContact OG1-CG 3.32Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.46Å; T174-Q177 PolarHBondContact OG1-N 3.2Å; T174-Q177 PolarHBondContact OG1-OE1 2.96Å; L175-Q177 PolarHBondContact O-N 3.17Å; Q177-A181 WeakPolarHBondContact O-CB 2.87Å; Q177-A181 PolarHBondContact O-N 2.99Å |
| 178 | V | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.5 | -41.4 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | R148 V151 V152 F168 A173 T174 L175 Q176 A181 A182 | R148-V178 HydrophobicContact CG-CB 4.23Å; R148-V178 HydrophobicContact CG-CG2 3.65Å; V151-V178 HydrophobicContact CB-CG1 4.43Å; V151-V178 HydrophobicContact CG1-CG1 3.78Å; V152-V178 HydrophobicContact CG2-CG1 3.73Å; F168-V178 HydrophobicContact CD2-CG2 3.92Å; F168-V178 HydrophobicContact CE2-CB 4.49Å; F168-V178 HydrophobicContact CE2-CG2 3.99Å; F168-V178 HydrophobicContact CG-CG2 4.39Å; F168-V178 HydrophobicContact CZ-CG2 4.5Å; A173-V178 HydrophobicContact CB-CG2 4.06Å; T174-V178 PolarHBondContact O-N 2.91Å; L175-V178 PolarHBondContact O-N 2.85Å; Q176-V178 VanDerWaalsContact C-N 3.29Å; Q176-V178 PolarHBondContact O-N 3.39Å; V178-A181 PolarHBondContact O-N 2.91Å; V178-A182 WeakPolarHBondContact O-CB 3.35Å; V178-A182 PolarHBondContact O-N 2.71Å |
| 179 | E | 96 | Very high | 95.9 | Very high | 31 Ų | 31 | 61 Ų | 61 | 15% | 0.145 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 175.2 | -71.5 | 178.1 | -163.3 | 0 | 0 | 111.6 | V127 R131 L175 Q176 A181 A182 S183 | V127-E179 HydrophobicContact CG1-CG 4.11Å; V127-E179 VanDerWaalsContact CG1-OE1 3.22Å; V127-E179 WeakPolarHBondContact CG1-OE1 3.47Å; V127-E179 HydrophobicContact CG2-CG 4.07Å; R131-E179 IonicContact CZ-OE1 3.83Å; R131-E179 IonicContact CZ-OE2 3.19Å; R131-E179 IonicContact NE-OE1 2.71Å; R131-E179 IonicContact NH2-OE1 3.75Å; R131-E179 PolarHBondContact NH2-OE1 3.44Å; R131-E179 IonicContact NH2-OE2 2.83Å; R131-E179 PolarHBondContact NH2-OE2 3.27Å; L175-E179 HydrophobicContact CD1-CG 4Å; L175-E179 WeakPolarHBondContact CD1-OE1 3.42Å; L175-E179 WeakPolarHBondContact CD2-OE1 3.44Å; L175-E179 HydrophobicContact CG-CG 4.35Å; L175-E179 WeakPolarHBondContact CG-OE1 3.41Å; L175-E179 WeakPolarHBondContact O-CG 3.47Å; L175-E179 PolarHBondContact O-N 2.93Å; Q176-E179 PolarHBondContact O-N 3.24Å; E179-A181 VanDerWaalsContact C-N 3.33Å; E179-A181 PolarHBondContact O-N 3.4Å; E179-A182 PolarHBondContact O-N 3.26Å; E179-S183 PolarHBondContact O-N 3.37Å; E179-S183 PolarHBondContact O-OG 2.92Å |
| 180 | E | 97.1 | Very high | 95.7 | Very high | 86 Ų | 86 | 58.2 Ų | 58.2 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.5 | -72.5 | 173.4 | -172 | 0 | 0 | 112 | Q176 S183 R184 | Q176-E180 HydrophobicContact CG-CG 4.43Å; Q176-E180 WeakPolarHBondContact CG-OE1 3.33Å; Q176-E180 PolarHBondContact NE2-OE1 3Å; Q176-E180 WeakPolarHBondContact O-CG 3.32Å; Q176-E180 PolarHBondContact O-N 3.01Å; E180-S183 PolarHBondContact O-N 3.11Å; E180-R184 WeakPolarHBondContact O-CG 3.4Å; E180-R184 PolarHBondContact O-N 3.41Å; E180-R184 VanDerWaalsContact O-N 3.08Å; E180-R184 PolarHBondContact O-NH1 3.49Å |
| 181 | A | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L164 F168 Q177 V178 E179 R184 L185 | L164-A181 HydrophobicContact CD2-CB 3.65Å; F168-A181 HydrophobicContact CE2-CB 3.61Å; F168-A181 HydrophobicContact CZ-CB 3.85Å; Q177-A181 WeakPolarHBondContact O-CB 2.87Å; Q177-A181 PolarHBondContact O-N 2.99Å; V178-A181 PolarHBondContact O-N 2.91Å; E179-A181 VanDerWaalsContact C-N 3.33Å; E179-A181 PolarHBondContact O-N 3.4Å; A181-R184 VanDerWaalsContact CA-NH2 3.34Å; A181-R184 WeakPolarHBondContact O-CB 3.43Å; A181-R184 PolarHBondContact O-N 2.94Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 2.97Å; A181-L185 VanDerWaalsContact O-N 3.14Å |
| 182 | A | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | V123 F155 V178 E179 R184 L185 E186 | V123-A182 HydrophobicContact CG1-CB 3.86Å; V123-A182 HydrophobicContact CG2-CB 4.22Å; F155-A182 HydrophobicContact CD2-CB 4.44Å; F155-A182 HydrophobicContact CE1-CB 4.13Å; F155-A182 HydrophobicContact CE2-CB 3.31Å; F155-A182 HydrophobicContact CZ-CB 3.14Å; V178-A182 WeakPolarHBondContact O-CB 3.35Å; V178-A182 PolarHBondContact O-N 2.71Å; E179-A182 PolarHBondContact O-N 3.26Å; A182-R184 VanDerWaalsContact C-N 3.26Å; A182-R184 PolarHBondContact O-N 3.28Å; A182-L185 WeakPolarHBondContact O-CB 3.46Å; A182-L185 PolarHBondContact O-N 3.46Å; A182-L185 VanDerWaalsContact O-N 3.09Å; A182-E186 PolarHBondContact O-N 3.46Å |
| 183 | S | 95.8 | Very high | 95.3 | Very high | 52 Ų | 52 | 60.6 Ų | 60.6 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62 | -33.4 | 174.1 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | E179 E180 L187 | E179-S183 PolarHBondContact O-N 3.37Å; E179-S183 PolarHBondContact O-OG 2.92Å; E180-S183 PolarHBondContact O-N 3.11Å; S183-L187 WeakPolarHBondContact O-CB 3.43Å; S183-L187 PolarHBondContact O-N 3.33Å |
| 184 | R | 97.1 | Very high | 95 | Very high | 129 Ų | 129 | 69 Ų | 69 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 172.1 | -71.1 | -172.9 | -61.8 | -90.6 | 6.3 | 112.4 | E180 A181 A182 L187 A188 | E180-R184 WeakPolarHBondContact O-CG 3.4Å; E180-R184 PolarHBondContact O-N 3.41Å; E180-R184 VanDerWaalsContact O-N 3.08Å; E180-R184 PolarHBondContact O-NH1 3.49Å; A181-R184 VanDerWaalsContact CA-NH2 3.34Å; A181-R184 WeakPolarHBondContact O-CB 3.43Å; A181-R184 PolarHBondContact O-N 2.94Å; A182-R184 VanDerWaalsContact C-N 3.26Å; A182-R184 PolarHBondContact O-N 3.28Å; R184-L187 PolarHBondContact O-N 2.79Å; R184-A188 WeakPolarHBondContact O-CB 3.44Å; R184-A188 PolarHBondContact O-N 3.15Å |
| 185 | L | 96 | Very high | 94.7 | Very high | 30 Ų | 30 | 72.3 Ų | 72.3 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 175.7 | -65 | 171.7 | 0 | 0 | 0 | 111.7 | W160 E163 L164 A181 A182 A188 E189 | W160-L185 HydrophobicContact CB-CD1 3.96Å; W160-L185 HydrophobicContact CD2-CB 3.84Å; W160-L185 HydrophobicContact CD2-CD1 4.18Å; W160-L185 HydrophobicContact CE3-CB 4.2Å; W160-L185 HydrophobicContact CE3-CD1 4.47Å; W160-L185 HydrophobicContact CG-CB 4.25Å; W160-L185 HydrophobicContact CG-CD1 3.96Å; W160-L185 HydrophobicContact CH2-CB 4.43Å; W160-L185 HydrophobicContact CZ2-CB 4.05Å; W160-L185 HydrophobicContact CZ3-CB 4.47Å; E163-L185 HydrophobicContact CB-CD2 4.34Å; E163-L185 HydrophobicContact CG-CD2 3.79Å; L164-L185 HydrophobicContact CD1-CD1 4.49Å; L164-L185 HydrophobicContact CD2-CD1 4.11Å; L164-L185 HydrophobicContact CG-CD1 3.97Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 2.97Å; A181-L185 VanDerWaalsContact O-N 3.14Å; A182-L185 WeakPolarHBondContact O-CB 3.46Å; A182-L185 PolarHBondContact O-N 3.46Å; A182-L185 VanDerWaalsContact O-N 3.09Å; L185-A188 PolarHBondContact O-N 2.87Å; L185-E189 PolarHBondContact O-N 3.26Å |
| 186 | E | 95.2 | Very high | 94.2 | Very high | 46 Ų | 46 | 79 Ų | 79 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.8 | -49.2 | 173.2 | -180 | 170.3 | -106.8 | 0 | 0 | 111.8 | S122 V123 W160 A182 A188 E189 C190 | S122-E186 WeakPolarHBondContact CA-OE1 3.49Å; S122-E186 WeakPolarHBondContact CB-OE1 3.48Å; V123-E186 HydrophobicContact CG2-CB 3.8Å; V123-E186 HydrophobicContact CG2-CG 4.34Å; V123-E186 PolarHBondContact N-OE1 3.32Å; W160-E186 VanDerWaalsContact CH2-CA 3.46Å; W160-E186 HydrophobicContact CH2-CB 3.63Å; W160-E186 HydrophobicContact CH2-CG 4.39Å; W160-E186 HydrophobicContact CZ2-CB 4.25Å; W160-E186 HydrophobicContact CZ3-CB 4.48Å; A182-E186 PolarHBondContact O-N 3.46Å; E186-A188 VanDerWaalsContact C-N 3.31Å; E186-A188 PolarHBondContact O-N 3.29Å; E186-E189 PolarHBondContact O-N 3.3Å; E186-C190 PolarHBondContact O-N 3.1Å; E186-C190 PolarHBondContact O-SG 2.92Å |
| 187 | L | 95.3 | Very high | 93.1 | Very high | 99 Ų | 99 | 81.1 Ų | 81.1 | 52% | 0.518 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 178.5 | 179.1 | 60.7 | 0 | 0 | 0 | 111.7 | S183 R184 C190 Q191 | S183-L187 WeakPolarHBondContact O-CB 3.43Å; S183-L187 PolarHBondContact O-N 3.33Å; R184-L187 PolarHBondContact O-N 2.79Å; L187-C190 PolarHBondContact O-N 2.89Å; L187-Q191 HydrophobicContact CD1-CG 4.42Å; L187-Q191 WeakPolarHBondContact O-CB 3.36Å; L187-Q191 VanDerWaalsContact O-CG 3.23Å; L187-Q191 WeakPolarHBondContact O-CG 3.23Å; L187-Q191 PolarHBondContact O-N 3.15Å |
| 188 | A | 94.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 80.9 Ų | 80.9 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R184 L185 E186 Q191 L192 | R184-A188 WeakPolarHBondContact O-CB 3.44Å; R184-A188 PolarHBondContact O-N 3.15Å; L185-A188 PolarHBondContact O-N 2.87Å; E186-A188 VanDerWaalsContact C-N 3.31Å; E186-A188 PolarHBondContact O-N 3.29Å; A188-Q191 PolarHBondContact O-N 2.85Å; A188-L192 WeakPolarHBondContact O-CG 3.36Å; A188-L192 PolarHBondContact O-N 2.92Å |
| 189 | E | 91.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 85 Ų | 85 | 34% | 0.336 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.3 | -50.1 | 174.8 | -173 | 170.7 | -156 | 0 | 0 | 110.9 | R117 W160 L185 E186 Q191 L192 E193 | R117-E189 IonicContact NH2-OE2 3.76Å; W160-E189 HydrophobicContact CZ2-CB 4.37Å; W160-E189 WeakPolarHBondContact CZ2-OE2 3.46Å; L185-E189 PolarHBondContact O-N 3.26Å; E186-E189 PolarHBondContact O-N 3.3Å; E189-Q191 PolarHBondContact O-N 3.31Å; E189-L192 PolarHBondContact O-N 3.35Å; E189-L192 VanDerWaalsContact O-N 3.14Å; E189-E193 WeakPolarHBondContact O-CG 3.49Å; E189-E193 PolarHBondContact O-N 3.21Å |
| 190 | C | 90.6 | Very high | 92.5 | Very high | 54 Ų | 54 | 88 Ų | 88 | 37% | 0.365 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.5 | -31.6 | 176.1 | -67.9 | 0 | 0 | 0 | 0 | 113.5 | E186 L187 R194 | E186-C190 PolarHBondContact O-N 3.1Å; E186-C190 PolarHBondContact O-SG 2.92Å; L187-C190 PolarHBondContact O-N 2.89Å; C190-R194 WeakPolarHBondContact O-CG 3.47Å |
| 191 | Q | 94.1 | Very high | 92.2 | Very high | 102 Ų | 102 | 88.1 Ų | 88.1 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73.4 | -40.4 | 175.9 | -74.6 | 170 | -10.3 | 0 | 0 | 111.8 | L187 A188 E189 R194 L195 | L187-Q191 HydrophobicContact CD1-CG 4.42Å; L187-Q191 WeakPolarHBondContact O-CB 3.36Å; L187-Q191 VanDerWaalsContact O-CG 3.23Å; L187-Q191 WeakPolarHBondContact O-CG 3.23Å; L187-Q191 PolarHBondContact O-N 3.15Å; A188-Q191 PolarHBondContact O-N 2.85Å; E189-Q191 PolarHBondContact O-N 3.31Å; Q191-R194 WeakPolarHBondContact O-CB 3.26Å; Q191-R194 PolarHBondContact O-N 3.05Å; Q191-L195 PolarHBondContact O-N 3.4Å |
| 192 | L | 91.6 | Very high | 91.9 | Very high | 101 Ų | 101 | 93.6 Ų | 93.6 | 53% | 0.529 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 177.3 | -73.5 | 171.3 | 0 | 0 | 0 | 112.1 | A188 E189 R194 L195 Q196 | A188-L192 WeakPolarHBondContact O-CG 3.36Å; A188-L192 PolarHBondContact O-N 2.92Å; E189-L192 PolarHBondContact O-N 3.35Å; E189-L192 VanDerWaalsContact O-N 3.14Å; L192-R194 PolarHBondContact O-N 3.22Å; L192-L195 HydrophobicContact CD2-CD1 4.39Å; L192-L195 PolarHBondContact O-N 2.8Å; L192-Q196 PolarHBondContact O-N 2.88Å |
| 193 | E | 90.3 | Very high | 91.6 | Very high | 112 Ų | 112 | 99.8 Ų | 99.8 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.9 | -36.7 | 174.7 | -72.3 | 175.7 | 168.2 | 0 | 0 | 111.9 | E189 L195 Q196 | E189-E193 WeakPolarHBondContact O-CG 3.49Å; E189-E193 PolarHBondContact O-N 3.21Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.46Å; E193-Q196 PolarHBondContact O-N 3.36Å |
| 194 | R | 90.6 | Very high | 91.3 | Very high | 188 Ų | 188 | 103.2 Ų | 103.2 | 71% | 0.709 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.6 | -21 | 176.7 | -64.5 | 175.6 | -171.5 | -175.7 | 1.9 | 114.2 | C190 Q191 L192 Q196 T197 | C190-R194 WeakPolarHBondContact O-CG 3.47Å; Q191-R194 WeakPolarHBondContact O-CB 3.26Å; Q191-R194 PolarHBondContact O-N 3.05Å; L192-R194 PolarHBondContact O-N 3.22Å; R194-Q196 VanDerWaalsContact C-N 3.33Å; R194-T197 PolarHBondContact O-OG1 2.91Å; R194-T197 VanDerWaalsContact O-OG1 3.09Å |
| 195 | L | 90.2 | Very high | 90.9 | Very high | 141 Ų | 141 | 101.2 Ų | 101.2 | 74% | 0.738 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -82.4 | -16.4 | 175.1 | -65.1 | 178.6 | 0 | 0 | 0 | 112.1 | Q191 L192 E193 | Q191-L195 PolarHBondContact O-N 3.4Å; L192-L195 HydrophobicContact CD2-CD1 4.39Å; L192-L195 PolarHBondContact O-N 2.8Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.46Å |
| 196 | Q | 86.9 | Confident | 90.4 | Very high | 164 Ų | 164 | 107.2 Ų | 107.2 | 77% | 0.766 | 54% | 0.544 | S | S | * | . | trans | -95.9 | -10.1 | -178.3 | -66.5 | 176.9 | 1 | 0 | 0 | 113.2 | L192 E193 R194 | L192-Q196 PolarHBondContact O-N 2.88Å; E193-Q196 PolarHBondContact O-N 3.36Å; R194-Q196 VanDerWaalsContact C-N 3.33Å | ||
| 197 | T | 73.6 | Confident | 90 | Very high | 168 Ų | 168 | 112.7 Ų | 112.7 | 100% | 1.031 | 57% | 0.574 | S | S | * | * | trans | -89.7 | 0 | 171.8 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | R194 | R194-T197 PolarHBondContact O-OG1 2.91Å; R194-T197 VanDerWaalsContact O-OG1 3.09Å |
Retrieved 197 of 197 residues in 42.2 ms
(Link to these results)