| 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 | 36.9 | Very low | 30.2 | Very low | 245 Ų | 245 | 148.2 Ų | 148.2 | 100% | 1.207 | 88% | 0.884 | S | S | * | * | 0 | 88.7 | 0 | -77.6 | 174.8 | 159.1 | 0 | 0 | 107.5 | |||||
| 2 | T | 31.6 | Very low | 30.2 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 85% | 0.853 | 89% | 0.888 | S | S | * | * | trans | -133.9 | 109.2 | -172.6 | 31.4 | 0 | 0 | 0 | 0 | 108.1 | K4 | T2-K4 PolarHBondContact O-N 3.32Š| ||
| 3 | M | 29.8 | Very low | 29.9 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 98% | 0.98 | 88% | 0.875 | S | S | * | * | trans | -70.5 | 116.8 | 176.2 | -69.4 | -177.6 | 92.4 | 0 | 0 | 109.3 | ||||
| 4 | K | 31.4 | Very low | 30 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 88% | 0.878 | 87% | 0.867 | S | S | * | * | trans | -82.1 | 116.2 | 163.6 | -89.6 | -178.9 | 172.6 | 178.6 | 0 | 108.4 | T2 S6 | T2-K4 PolarHBondContact O-N 3.32Å; K4-S6 PolarHBondContact O-N 3.1Å | ||
| 5 | A | 30.5 | Very low | 30.3 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 89% | 0.893 | 87% | 0.865 | S | S | * | * | trans | -70.2 | 104.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 6 | S | 31.8 | Very low | 31 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | trans | -86.4 | 108.8 | 169 | 50.6 | 0 | 0 | 0 | 0 | 109.2 | K4 G8 | K4-S6 PolarHBondContact O-N 3.1Å; S6-G8 PolarHBondContact O-N 2.93Å | ||
| 7 | G | 24.9 | Very low | 31.8 | Very low | 82 Ų | 82 | 144.2 Ų | 144.2 | 85% | 0.845 | 86% | 0.86 | S | S | * | * | trans | -63.8 | 121.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 8 | G | 27.4 | Very low | 33.2 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 84% | 0.84 | S | S | * | * | trans | -107.9 | 93.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S6 A10 | S6-G8 PolarHBondContact O-N 2.93Å; G8-A10 PolarHBondContact O-N 3.04Å | ||
| 9 | L | 27.4 | Very low | 35.1 | Very low | 179 Ų | 179 | 137 Ų | 137 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | trans | -66.5 | 91.5 | 153.1 | -105 | 83.9 | 0 | 0 | 0 | 106.5 | K11 | L9-K11 PolarHBondContact O-N 3.04Š| ||
| 10 | A | 32.7 | Very low | 36.8 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | trans | -67.1 | 116 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | G8 F12 | G8-A10 PolarHBondContact O-N 3.04Å; A10-F12 PolarHBondContact O-N 2.95Å | ||
| 11 | K | 28 | Very low | 38.4 | Very low | 204 Ų | 204 | 132.1 Ų | 132.1 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -51.1 | 105.4 | 170.8 | -73.7 | 173 | 172.8 | 175.6 | 0 | 110.1 | L9 G13 | L9-K11 PolarHBondContact O-N 3.04Å; K11-G13 VanDerWaalsContact C-N 3.26Å; K11-G13 PolarHBondContact O-N 3.01Å | ||
| 12 | F | 29.5 | Very low | 40.1 | Very low | 212 Ų | 212 | 123.5 Ų | 123.5 | 93% | 0.93 | 76% | 0.757 | S | S | * | * | trans | -70.6 | 88.3 | 159.4 | -89.1 | -90 | 0 | 0 | 0 | 108.4 | A10 | A10-F12 PolarHBondContact O-N 2.95Š| ||
| 13 | G | 27.2 | Very low | 42.3 | Very low | 70 Ų | 70 | 119.1 Ų | 119.1 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | -144 | 56.1 | -180 | 0 | 0 | 0 | 0 | 0 | 110.5 | K11 | K11-G13 VanDerWaalsContact C-N 3.26Å; K11-G13 PolarHBondContact O-N 3.01Å | ||
| 14 | A | 31.4 | Very low | 44.8 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | trans | -118.9 | 89.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | T16 | A14-T16 PolarHBondContact O-N 3.45Š| ||
| 15 | S | 34.1 | Very low | 47.2 | Very low | 120 Ų | 120 | 107.9 Ų | 107.9 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | trans | -57.5 | 100.6 | 168.9 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | K17 | S15-K17 PolarHBondContact O-N 3.46Š| ||
| 16 | T | 42 | Very low | 49.8 | Very low | 124 Ų | 124 | 105.9 Ų | 105.9 | 76% | 0.761 | 66% | 0.661 | S | S | * | * | trans | -72.8 | 110.3 | 165.7 | 35.1 | 0 | 0 | 0 | 0 | 107.1 | A14 L18 | A14-T16 PolarHBondContact O-N 3.45Å; T16-L18 PolarHBondContact O-N 3.31Å | ||
| 17 | K | 44.8 | Very low | 52.5 | Low | 203 Ų | 203 | 106.8 Ų | 106.8 | 88% | 0.883 | 65% | 0.652 | S | S | * | * | trans | -49.2 | 110 | 171.4 | -80 | 179.9 | 175.7 | 178.3 | 0 | 108.7 | S15 S19 | S15-K17 PolarHBondContact O-N 3.46Å; K17-S19 PolarHBondContact O-N 2.93Å; K17-S19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | L | 57.1 | Low | 55.6 | Low | 94 Ų | 94 | 108 Ų | 108 | 49% | 0.492 | 64% | 0.636 | S | S | . | * | trans | -59.7 | 117.9 | 176.1 | -145.1 | 88.1 | 0 | 0 | 0 | 107.7 | T16 K22 A23 L26 | T16-L18 PolarHBondContact O-N 3.31Å; L18-K22 HydrophobicContact CD2-CB 3.79Å; L18-K22 HydrophobicContact CG-CB 3.8Å; L18-K22 HydrophobicContact CG-CD 4.31Å; L18-A23 HydrophobicContact CD2-CB 4.34Å; L18-L26 HydrophobicContact CD2-CD1 3.58Å | ||
| 19 | S | 68.3 | Low | 58.6 | Low | 58 Ų | 58 | 105.8 Ų | 105.8 | 41% | 0.406 | 61% | 0.605 | S | S | . | * | trans | -56.5 | 142.8 | 179.7 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | K17 S21 K22 A23 | K17-S19 PolarHBondContact O-N 2.93Å; K17-S19 VanDerWaalsContact O-N 3.15Å; S19-S21 PolarHBondContact O-N 2.79Å; S19-K22 WeakPolarHBondContact O-CA 3.35Å; S19-K22 WeakPolarHBondContact O-CB 3.4Å; S19-K22 PolarHBondContact O-N 3.09Å; S19-K22 VanDerWaalsContact OG-CG 3.3Å; S19-K22 WeakPolarHBondContact OG-CG 3.24Å; S19-A23 PolarHBondContact O-N 3.37Å | ||
| 20 | A | 69.4 | Low | 61.8 | Low | 79 Ų | 79 | 103.3 Ų | 103.3 | 65% | 0.653 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -49.2 | -36.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K22 A23 L24 | A20-K22 PolarHBondContact O-N 3.4Å; A20-A23 PolarHBondContact O-N 3.04Å; A20-L24 PolarHBondContact O-N 3.35Å |
| 21 | S | 70.1 | Confident | 64.6 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.8 | -37.3 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 113.5 | S19 L24 L25 | S19-S21 PolarHBondContact O-N 2.79Å; S21-L24 PolarHBondContact O-N 2.9Å; S21-L25 PolarHBondContact O-N 3.39Å |
| 22 | K | 72.1 | Confident | 67.7 | Low | 65 Ų | 65 | 99.2 Ų | 99.2 | 28% | 0.283 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.1 | -36.6 | 175.7 | -69.1 | 179.5 | -168.3 | -162.9 | 0 | 111.9 | L18 S19 A20 L25 L26 F96 N100 | L18-K22 HydrophobicContact CD2-CB 3.79Å; L18-K22 HydrophobicContact CG-CB 3.8Å; L18-K22 HydrophobicContact CG-CD 4.31Å; S19-K22 WeakPolarHBondContact O-CA 3.35Å; S19-K22 WeakPolarHBondContact O-CB 3.4Å; S19-K22 PolarHBondContact O-N 3.09Å; S19-K22 VanDerWaalsContact OG-CG 3.3Å; S19-K22 WeakPolarHBondContact OG-CG 3.24Å; A20-K22 PolarHBondContact O-N 3.4Å; K22-L25 PolarHBondContact O-N 2.94Å; K22-L26 PolarHBondContact O-N 3.28Å; K22-F96 HydrophobicContact CB-CE2 4.43Å; K22-F96 HydrophobicContact CB-CZ 4.19Å; K22-F96 HydrophobicContact CG-CE2 4.26Å; K22-F96 HydrophobicContact CG-CZ 4.31Å; K22-N100 WeakPolarHBondContact CE-OD1 3.31Å; K22-N100 PolarHBondContact NZ-OD1 3.3Å |
| 23 | A | 78 | Confident | 70.8 | Confident | 46 Ų | 46 | 91.3 Ų | 91.3 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | L18 S19 A20 L26 Q27 | L18-A23 HydrophobicContact CD2-CB 4.34Å; S19-A23 PolarHBondContact O-N 3.37Å; A20-A23 PolarHBondContact O-N 3.04Å; A23-L26 PolarHBondContact O-N 3.11Å; A23-Q27 WeakPolarHBondContact O-CB 3.47Å; A23-Q27 PolarHBondContact O-N 3.48Å |
| 24 | L | 82.4 | Confident | 74 | Confident | 109 Ų | 109 | 95.2 Ų | 95.2 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.3 | -46.2 | 173.1 | -94.3 | 160.5 | 0 | 0 | 0 | 112.3 | A20 S21 L26 Q27 E28 | A20-L24 PolarHBondContact O-N 3.35Å; S21-L24 PolarHBondContact O-N 2.9Å; L24-L26 PolarHBondContact O-N 3.07Å; L24-Q27 WeakPolarHBondContact O-CA 3.44Å; L24-Q27 WeakPolarHBondContact O-CB 3.41Å; L24-Q27 PolarHBondContact O-N 2.99Å; L24-Q27 VanDerWaalsContact O-N 3.12Å; L24-E28 PolarHBondContact O-N 3.41Å |
| 25 | L | 82.9 | Confident | 77.1 | Confident | 56 Ų | 56 | 94.6 Ų | 94.6 | 29% | 0.293 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 179.5 | -166.2 | 76.5 | 0 | 0 | 0 | 112.2 | S21 K22 Q27 E28 Y29 F96 | S21-L25 PolarHBondContact O-N 3.39Å; K22-L25 PolarHBondContact O-N 2.94Å; L25-Q27 VanDerWaalsContact C-N 3.27Å; L25-Q27 PolarHBondContact O-N 3.15Å; L25-E28 WeakPolarHBondContact O-CB 3.45Å; L25-E28 PolarHBondContact O-N 3.19Å; L25-Y29 HydrophobicContact CD2-CE2 3.79Å; L25-Y29 HydrophobicContact CG-CD2 4.32Å; L25-Y29 HydrophobicContact CG-CE2 3.67Å; L25-Y29 VanDerWaalsContact O-CD2 3.26Å; L25-Y29 WeakPolarHBondContact O-CD2 3.31Å; L25-Y29 PolarHBondContact O-N 3.47Å; L25-F96 HydrophobicContact CD2-CD2 3.6Å; L25-F96 HydrophobicContact CD2-CE2 3.79Å |
| 26 | L | 84.4 | Confident | 80 | Confident | 67 Ų | 67 | 89.3 Ų | 89.3 | 35% | 0.351 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 172.8 | -85.2 | 163.4 | 0 | 0 | 0 | 111.7 | L18 K22 A23 L24 Y29 H30 L93 F96 | L18-L26 HydrophobicContact CD2-CD1 3.58Å; K22-L26 PolarHBondContact O-N 3.28Å; A23-L26 PolarHBondContact O-N 3.11Å; L24-L26 PolarHBondContact O-N 3.07Å; L26-Y29 PolarHBondContact O-N 2.93Å; L26-H30 WeakPolarHBondContact O-CB 3.47Å; L26-H30 PolarHBondContact O-N 2.8Å; L26-L93 HydrophobicContact CD2-CD2 4.26Å; L26-F96 HydrophobicContact CD1-CE1 4.27Å; L26-F96 HydrophobicContact CD1-CZ 4.36Å; L26-F96 HydrophobicContact CD2-CE1 4.32Å; L26-F96 HydrophobicContact CG-CE1 4.19Å; L26-F96 HydrophobicContact CG-CZ 4.31Å |
| 27 | Q | 88.5 | Confident | 82.6 | Confident | 135 Ų | 135 | 87.1 Ų | 87.1 | 63% | 0.631 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.2 | -39.4 | 177.2 | -158.9 | 176.2 | 7.7 | 0 | 0 | 111.6 | A23 L24 L25 H30 H31 | A23-Q27 WeakPolarHBondContact O-CB 3.47Å; A23-Q27 PolarHBondContact O-N 3.48Å; L24-Q27 WeakPolarHBondContact O-CA 3.44Å; L24-Q27 WeakPolarHBondContact O-CB 3.41Å; L24-Q27 PolarHBondContact O-N 2.99Å; L24-Q27 VanDerWaalsContact O-N 3.12Å; L25-Q27 VanDerWaalsContact C-N 3.27Å; L25-Q27 PolarHBondContact O-N 3.15Å; Q27-H30 PolarHBondContact O-N 3.32Å; Q27-H31 PolarHBondContact O-N 3.47Å |
| 28 | E | 89.8 | Confident | 85 | Confident | 109 Ų | 109 | 82.6 Ų | 82.6 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 171.7 | -82.6 | -170.8 | 150 | 0 | 0 | 112 | L24 L25 H30 H31 R32 | L24-E28 PolarHBondContact O-N 3.41Å; L25-E28 WeakPolarHBondContact O-CB 3.45Å; L25-E28 PolarHBondContact O-N 3.19Å; E28-H30 VanDerWaalsContact C-N 3.28Å; E28-H30 PolarHBondContact O-N 2.93Å; E28-H31 PolarHBondContact O-N 3.45Å; E28-H31 VanDerWaalsContact O-N 3.12Å; E28-R32 WeakPolarHBondContact O-CB 3.19Å; E28-R32 PolarHBondContact O-N 3.05Å |
| 29 | Y | 91.5 | Very high | 86.9 | Confident | 24 Ų | 24 | 79.7 Ų | 79.7 | 9% | 0.094 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.8 | -43 | 176.5 | -67.2 | -44.8 | 0 | 0 | 0 | 111.5 | L25 L26 H31 R32 V33 T89 D92 L93 F96 | L25-Y29 HydrophobicContact CD2-CE2 3.79Å; L25-Y29 HydrophobicContact CG-CD2 4.32Å; L25-Y29 HydrophobicContact CG-CE2 3.67Å; L25-Y29 VanDerWaalsContact O-CD2 3.26Å; L25-Y29 WeakPolarHBondContact O-CD2 3.31Å; L25-Y29 PolarHBondContact O-N 3.47Å; L26-Y29 PolarHBondContact O-N 2.93Å; Y29-H31 VanDerWaalsContact C-N 3.26Å; Y29-H31 PolarHBondContact O-N 3.48Å; Y29-R32 PolarHBondContact O-N 3.42Å; Y29-V33 WeakPolarHBondContact O-CG2 3.41Å; Y29-V33 PolarHBondContact O-N 3.07Å; Y29-T89 HydrophobicContact CD1-CG2 3.89Å; Y29-T89 HydrophobicContact CG-CG2 4.43Å; Y29-D92 HydrophobicContact CE1-CB 3.64Å; Y29-L93 HydrophobicContact CD2-CD2 3.57Å; Y29-L93 HydrophobicContact CD2-CG 3.98Å; Y29-L93 HydrophobicContact CE2-CD2 4.19Å; Y29-L93 HydrophobicContact CE2-CG 4.47Å; Y29-L93 HydrophobicContact CG-CD2 4.03Å; Y29-L93 HydrophobicContact CG-CG 4.04Å; Y29-F96 HydrophobicContact CE2-CB 4.4Å |
| 30 | H | 93 | Very high | 88.2 | Confident | 128 Ų | 128 | 80 Ų | 80 | 59% | 0.593 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64 | -33.4 | 178.6 | -149.2 | -47.8 | 0 | 0 | 0 | 112.4 | L26 Q27 E28 R34 | L26-H30 WeakPolarHBondContact O-CB 3.47Å; L26-H30 PolarHBondContact O-N 2.8Å; Q27-H30 PolarHBondContact O-N 3.32Å; E28-H30 VanDerWaalsContact C-N 3.28Å; E28-H30 PolarHBondContact O-N 2.93Å; H30-R34 WeakPolarHBondContact O-CB 3.43Å; H30-R34 PolarHBondContact O-N 3.12Å |
| 31 | H | 93.3 | Very high | 89.5 | Confident | 101 Ų | 101 | 83.7 Ų | 83.7 | 47% | 0.468 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.1 | -47.4 | 174.6 | -147.2 | -12.5 | 0 | 0 | 0 | 111 | Q27 E28 Y29 V33 R34 D35 | Q27-H31 PolarHBondContact O-N 3.47Å; E28-H31 PolarHBondContact O-N 3.45Å; E28-H31 VanDerWaalsContact O-N 3.12Å; Y29-H31 VanDerWaalsContact C-N 3.26Å; Y29-H31 PolarHBondContact O-N 3.48Å; H31-V33 VanDerWaalsContact C-N 3.34Å; H31-V33 PolarHBondContact O-N 2.92Å; H31-R34 WeakPolarHBondContact O-CB 3.1Å; H31-R34 PolarHBondContact O-N 2.97Å; H31-D35 IonicContact CE1-OD1 3.52Å; H31-D35 IonicContact CE1-OD2 3.51Å; H31-D35 IonicContact CG-OD2 3.75Å; H31-D35 IonicContact ND1-OD1 3.25Å; H31-D35 PolarHBondContact ND1-OD1 3.09Å; H31-D35 IonicContact ND1-OD2 3.08Å; H31-D35 PolarHBondContact ND1-OD2 2.99Å; H31-D35 VanDerWaalsContact ND1-OD2 3.08Å; H31-D35 PolarHBondContact O-N 3.48Å |
| 32 | R | 92.2 | Very high | 90.8 | Very high | 99 Ų | 99 | 83.7 Ų | 83.7 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | -178.9 | -151.1 | -175.7 | -80.7 | 173.8 | -3.7 | 112 | E28 Y29 S36 T85 T89 D92 | E28-R32 WeakPolarHBondContact O-CB 3.19Å; E28-R32 PolarHBondContact O-N 3.05Å; Y29-R32 PolarHBondContact O-N 3.42Å; R32-S36 VanDerWaalsContact O-CB 3.3Å; R32-S36 WeakPolarHBondContact O-CB 3.47Å; R32-S36 PolarHBondContact O-N 3.42Å; R32-S36 VanDerWaalsContact O-N 3.08Å; R32-S36 PolarHBondContact O-OG 2.96Å; R32-T85 HydrophobicContact CG-CG2 4.2Å; R32-T89 WeakPolarHBondContact CD-OG1 3.29Å; R32-D92 IonicContact NH1-OD2 3.52Å |
| 33 | V | 94 | Very high | 91.9 | Very high | 47 Ų | 47 | 81.1 Ų | 81.1 | 29% | 0.285 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.3 | -50.7 | 172.2 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | Y29 H31 D35 S36 V37 L86 T89 | Y29-V33 WeakPolarHBondContact O-CG2 3.41Å; Y29-V33 PolarHBondContact O-N 3.07Å; H31-V33 VanDerWaalsContact C-N 3.34Å; H31-V33 PolarHBondContact O-N 2.92Å; V33-D35 VanDerWaalsContact C-N 3.34Å; V33-D35 PolarHBondContact O-N 3.07Å; V33-S36 PolarHBondContact O-N 3.4Å; V33-V37 HydrophobicContact CG1-CG2 4.43Å; V33-V37 WeakPolarHBondContact O-CG2 3.38Å; V33-V37 PolarHBondContact O-N 3.28Å; V33-L86 HydrophobicContact CB-CD2 4.36Å; V33-L86 HydrophobicContact CG1-CD2 4.08Å; V33-L86 HydrophobicContact CG2-CD2 4.19Å; V33-T89 HydrophobicContact CG2-CG2 3.79Å |
| 34 | R | 95.8 | Very high | 92.7 | Very high | 152 Ų | 152 | 84 Ų | 84 | 57% | 0.574 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.6 | -43.4 | -175.6 | -158 | -164.9 | -47.9 | 179.1 | 5.6 | 111.8 | H30 H31 K38 | H30-R34 WeakPolarHBondContact O-CB 3.43Å; H30-R34 PolarHBondContact O-N 3.12Å; H31-R34 WeakPolarHBondContact O-CB 3.1Å; H31-R34 PolarHBondContact O-N 2.97Å; R34-K38 VanDerWaalsContact O-CB 3.27Å; R34-K38 WeakPolarHBondContact O-CB 3.36Å; R34-K38 PolarHBondContact O-N 2.93Å |
| 35 | D | 95.7 | Very high | 93.4 | Very high | 78 Ų | 78 | 82.6 Ų | 82.6 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.5 | -39.7 | -178.3 | -62 | -18.2 | 0 | 0 | 0 | 111.1 | H31 V33 K38 S39 | H31-D35 IonicContact CE1-OD1 3.52Å; H31-D35 IonicContact CE1-OD2 3.51Å; H31-D35 IonicContact CG-OD2 3.75Å; H31-D35 IonicContact ND1-OD1 3.25Å; H31-D35 PolarHBondContact ND1-OD1 3.09Å; H31-D35 IonicContact ND1-OD2 3.08Å; H31-D35 PolarHBondContact ND1-OD2 2.99Å; H31-D35 VanDerWaalsContact ND1-OD2 3.08Å; H31-D35 PolarHBondContact O-N 3.48Å; V33-D35 VanDerWaalsContact C-N 3.34Å; V33-D35 PolarHBondContact O-N 3.07Å; D35-K38 PolarHBondContact O-N 3.41Å; D35-S39 VanDerWaalsContact O-CB 3.3Å; D35-S39 WeakPolarHBondContact O-CB 3.41Å; D35-S39 PolarHBondContact O-N 2.77Å |
| 36 | S | 94.5 | Very high | 93.9 | Very high | 10 Ų | 10 | 82.5 Ų | 82.5 | 7% | 0.07 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 112 | R32 V33 S39 M40 | R32-S36 VanDerWaalsContact O-CB 3.3Å; R32-S36 WeakPolarHBondContact O-CB 3.47Å; R32-S36 PolarHBondContact O-N 3.42Å; R32-S36 VanDerWaalsContact O-N 3.08Å; R32-S36 PolarHBondContact O-OG 2.96Å; V33-S36 PolarHBondContact O-N 3.4Å; S36-S39 PolarHBondContact O-N 3.44Å; S36-M40 WeakPolarHBondContact O-CG 3.16Å; S36-M40 PolarHBondContact O-N 3.03Å |
| 37 | V | 96.1 | Very high | 94.3 | Very high | 78 Ų | 78 | 80.9 Ų | 80.9 | 47% | 0.473 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | V33 M40 R41 L86 | V33-V37 HydrophobicContact CG1-CG2 4.43Å; V33-V37 WeakPolarHBondContact O-CG2 3.38Å; V33-V37 PolarHBondContact O-N 3.28Å; V37-M40 PolarHBondContact O-N 2.94Å; V37-R41 PolarHBondContact O-N 2.84Å; V37-L86 HydrophobicContact CG2-CD1 3.98Å; V37-L86 HydrophobicContact CG2-CD2 4.34Å |
| 38 | K | 96.5 | Very high | 94.4 | Very high | 107 Ų | 107 | 79.4 Ų | 79.4 | 47% | 0.465 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 176.4 | -178.7 | 179.6 | 172.1 | -173.9 | 0 | 111.1 | R34 D35 M40 R41 E42 | R34-K38 VanDerWaalsContact O-CB 3.27Å; R34-K38 WeakPolarHBondContact O-CB 3.36Å; R34-K38 PolarHBondContact O-N 2.93Å; D35-K38 PolarHBondContact O-N 3.41Å; K38-M40 PolarHBondContact O-N 3.13Å; K38-R41 PolarHBondContact O-N 3.45Å; K38-E42 WeakPolarHBondContact CE-OE1 3.33Å; K38-E42 HydrophobicContact CG-CG 4.46Å; K38-E42 WeakPolarHBondContact CG-OE1 3.39Å; K38-E42 IonicContact NZ-OE1 3.9Å; K38-E42 WeakPolarHBondContact O-CB 3.36Å; K38-E42 WeakPolarHBondContact O-CG 3.32Å; K38-E42 PolarHBondContact O-N 2.93Å |
| 39 | S | 95.8 | Very high | 94.4 | Very high | 34 Ų | 34 | 82.6 Ų | 82.6 | 24% | 0.238 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | D35 S36 R41 E42 N43 S82 | D35-S39 VanDerWaalsContact O-CB 3.3Å; D35-S39 WeakPolarHBondContact O-CB 3.41Å; D35-S39 PolarHBondContact O-N 2.77Å; S36-S39 PolarHBondContact O-N 3.44Å; S39-R41 PolarHBondContact O-N 3.47Å; S39-E42 PolarHBondContact O-N 2.84Å; S39-N43 WeakPolarHBondContact O-CB 3.22Å; S39-N43 PolarHBondContact O-N 3.23Å; S39-N43 PolarHBondContact O-ND2 2.93Å; S39-N43 PolarHBondContact OG-ND2 2.79Å; S39-S82 PolarHBondContact OG-OG 2.97Å |
| 40 | M | 95.5 | Very high | 94.2 | Very high | 63 Ų | 63 | 82.6 Ų | 82.6 | 31% | 0.31 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 176.5 | -78.8 | 179.3 | 52.3 | 0 | 0 | 111.9 | S36 V37 K38 F44 A83 L86 | S36-M40 WeakPolarHBondContact O-CG 3.16Å; S36-M40 PolarHBondContact O-N 3.03Å; V37-M40 PolarHBondContact O-N 2.94Å; K38-M40 PolarHBondContact O-N 3.13Å; M40-F44 VanDerWaalsContact O-CB 3.3Å; M40-F44 WeakPolarHBondContact O-CB 3.38Å; M40-F44 PolarHBondContact O-N 2.94Å; M40-A83 HydrophobicContact SD-CB 4.24Å; M40-L86 HydrophobicContact SD-CD1 3.88Å |
| 41 | R | 97.2 | Very high | 93.8 | Very high | 158 Ų | 158 | 79.3 Ų | 79.3 | 60% | 0.596 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | -179.7 | -176.2 | -171.1 | 65.1 | 177.6 | 0.9 | 111.6 | V37 K38 S39 F44 T45 | V37-R41 PolarHBondContact O-N 2.84Å; K38-R41 PolarHBondContact O-N 3.45Å; S39-R41 PolarHBondContact O-N 3.47Å; R41-F44 PolarHBondContact O-N 2.54Å; R41-T45 WeakPolarHBondContact O-CB 3.47Å; R41-T45 PolarHBondContact O-N 2.89Å; R41-T45 PolarHBondContact O-OG1 3.33Å |
| 42 | E | 97.2 | Very high | 93.1 | Very high | 92 Ų | 92 | 82.3 Ų | 82.3 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | -179.1 | -74.3 | 171.5 | 177.7 | 0 | 0 | 111.6 | K38 S39 F44 T45 E46 | K38-E42 WeakPolarHBondContact CE-OE1 3.33Å; K38-E42 HydrophobicContact CG-CG 4.46Å; K38-E42 WeakPolarHBondContact CG-OE1 3.39Å; K38-E42 IonicContact NZ-OE1 3.9Å; K38-E42 WeakPolarHBondContact O-CB 3.36Å; K38-E42 WeakPolarHBondContact O-CG 3.32Å; K38-E42 PolarHBondContact O-N 2.93Å; S39-E42 PolarHBondContact O-N 2.84Å; E42-F44 PolarHBondContact O-N 3.43Å; E42-T45 PolarHBondContact O-N 2.9Å; E42-E46 PolarHBondContact O-N 3.31Å; E42-E46 VanDerWaalsContact O-N 3.1Å |
| 43 | N | 95.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 84.2 Ų | 84.2 | 6% | 0.059 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 176.4 | -73.6 | -69.7 | 0 | 0 | 0 | 112.1 | S39 E46 I47 R75 M79 | S39-N43 WeakPolarHBondContact O-CB 3.22Å; S39-N43 PolarHBondContact O-N 3.23Å; S39-N43 PolarHBondContact O-ND2 2.93Å; S39-N43 PolarHBondContact OG-ND2 2.79Å; N43-E46 PolarHBondContact O-N 3.21Å; N43-I47 WeakPolarHBondContact O-CG1 3.14Å; N43-I47 PolarHBondContact O-N 3.21Å; N43-R75 HydrophobicContact CB-CB 4.33Å; N43-R75 WeakPolarHBondContact OD1-CD 3.34Å; N43-M79 HydrophobicContact CB-CG 3.47Å; N43-M79 VanDerWaalsContact CB-CG 3.47Å; N43-M79 HydrophobicContact CB-SD 4.12Å |
| 44 | F | 95.7 | Very high | 90.4 | Very high | 107 Ų | 107 | 88 Ų | 88 | 47% | 0.469 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 176.8 | -176.2 | -103.7 | 0 | 0 | 0 | 112.4 | M40 R41 E42 E46 I47 L48 M79 | M40-F44 VanDerWaalsContact O-CB 3.3Å; M40-F44 WeakPolarHBondContact O-CB 3.38Å; M40-F44 PolarHBondContact O-N 2.94Å; R41-F44 PolarHBondContact O-N 2.54Å; E42-F44 PolarHBondContact O-N 3.43Å; F44-E46 VanDerWaalsContact C-N 3.27Å; F44-E46 PolarHBondContact O-N 3.3Å; F44-I47 PolarHBondContact O-N 2.95Å; F44-L48 HydrophobicContact CD1-CD1 3.99Å; F44-L48 HydrophobicContact CD1-CG 4.47Å; F44-L48 HydrophobicContact CE1-CD1 3.51Å; F44-L48 HydrophobicContact CE1-CG 4.11Å; F44-L48 HydrophobicContact CZ-CD1 4.07Å; F44-L48 HydrophobicContact CZ-CD2 4.42Å; F44-L48 HydrophobicContact CZ-CG 4.3Å; F44-L48 PolarHBondContact O-N 2.93Å; F44-L48 VanDerWaalsContact O-N 3.09Å; F44-M79 HydrophobicContact CB-CE 3.99Å; F44-M79 HydrophobicContact CB-SD 3.92Å; F44-M79 HydrophobicContact CD2-CE 3.91Å; F44-M79 HydrophobicContact CD2-SD 4.37Å; F44-M79 HydrophobicContact CG-CE 4.4Å |
| 45 | T | 95.5 | Very high | 88.1 | Confident | 79 Ų | 79 | 89.6 Ų | 89.6 | 49% | 0.485 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 178.2 | -49.4 | 0 | 0 | 0 | 0 | 110.9 | R41 E42 L48 R49 | R41-T45 WeakPolarHBondContact O-CB 3.47Å; R41-T45 PolarHBondContact O-N 2.89Å; R41-T45 PolarHBondContact O-OG1 3.33Å; E42-T45 PolarHBondContact O-N 2.9Å; T45-L48 PolarHBondContact O-N 2.88Å; T45-R49 PolarHBondContact O-N 3.31Å |
| 46 | E | 93.4 | Very high | 85.9 | Confident | 53 Ų | 53 | 93.5 Ų | 93.5 | 25% | 0.248 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -72.9 | -36.6 | 178.9 | -157.2 | 60.5 | -165.4 | 0 | 0 | 112.8 | E42 N43 F44 L48 R49 L50 | E42-E46 PolarHBondContact O-N 3.31Å; E42-E46 VanDerWaalsContact O-N 3.1Å; N43-E46 PolarHBondContact O-N 3.21Å; F44-E46 VanDerWaalsContact C-N 3.27Å; F44-E46 PolarHBondContact O-N 3.3Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 3.49Å; E46-R49 WeakPolarHBondContact O-CB 3.46Å; E46-R49 PolarHBondContact O-N 3.09Å; E46-R49 VanDerWaalsContact O-N 3.08Å; E46-R49 WeakPolarHBondContact OE1-CD 3.39Å; E46-R49 IonicContact OE1-NE 3.07Å; E46-L50 HydrophobicContact CG-CD1 4.46Å; E46-L50 WeakPolarHBondContact O-CG 3.43Å; E46-L50 PolarHBondContact O-N 3.34Å |
| 47 | I | 93.3 | Very high | 83.9 | Confident | 34 Ų | 34 | 98.4 Ų | 98.4 | 17% | 0.174 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 171.4 | -69 | 167.2 | 0 | 0 | 0 | 110.4 | N43 F44 R49 L50 A51 M72 R75 A76 M79 | N43-I47 WeakPolarHBondContact O-CG1 3.14Å; N43-I47 PolarHBondContact O-N 3.21Å; F44-I47 PolarHBondContact O-N 2.95Å; I47-R49 VanDerWaalsContact C-N 3.26Å; I47-R49 PolarHBondContact O-N 3.42Å; I47-L50 PolarHBondContact O-N 3.38Å; I47-A51 VanDerWaalsContact O-CB 3.32Å; I47-A51 WeakPolarHBondContact O-CB 3.43Å; I47-A51 PolarHBondContact O-N 2.94Å; I47-M72 HydrophobicContact CB-CG 4.46Å; I47-M72 HydrophobicContact CG1-CG 4.31Å; I47-M72 HydrophobicContact CG2-CG 4.16Å; I47-M72 HydrophobicContact CG2-SD 4.21Å; I47-R75 HydrophobicContact CD1-CB 3.83Å; I47-R75 HydrophobicContact CG1-CB 3.59Å; I47-R75 HydrophobicContact CG1-CG 4.37Å; I47-A76 HydrophobicContact CD1-CB 4.25Å; I47-M79 HydrophobicContact CD1-SD 3.7Å |
| 48 | L | 91.6 | Very high | 81.9 | Confident | 103 Ų | 103 | 103.4 Ų | 103.4 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -33.3 | 176.3 | -70.4 | 178.3 | 0 | 0 | 0 | 112.7 | F44 T45 E46 | F44-L48 HydrophobicContact CD1-CD1 3.99Å; F44-L48 HydrophobicContact CD1-CG 4.47Å; F44-L48 HydrophobicContact CE1-CD1 3.51Å; F44-L48 HydrophobicContact CE1-CG 4.11Å; F44-L48 HydrophobicContact CZ-CD1 4.07Å; F44-L48 HydrophobicContact CZ-CD2 4.42Å; F44-L48 HydrophobicContact CZ-CG 4.3Å; F44-L48 PolarHBondContact O-N 2.93Å; F44-L48 VanDerWaalsContact O-N 3.09Å; T45-L48 PolarHBondContact O-N 2.88Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 3.49Å |
| 49 | R | 90 | Very high | 79.6 | Confident | 177 Ų | 177 | 107.1 Ų | 107.1 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.1 | -44.1 | 176.5 | -173.2 | -174.4 | 144.6 | 93.6 | 11.1 | 111.3 | T45 E46 I47 K52 | T45-R49 PolarHBondContact O-N 3.31Å; E46-R49 WeakPolarHBondContact O-CB 3.46Å; E46-R49 PolarHBondContact O-N 3.09Å; E46-R49 VanDerWaalsContact O-N 3.08Å; E46-R49 WeakPolarHBondContact OE1-CD 3.39Å; E46-R49 IonicContact OE1-NE 3.07Å; I47-R49 VanDerWaalsContact C-N 3.26Å; I47-R49 PolarHBondContact O-N 3.42Å; R49-K52 WeakPolarHBondContact O-CB 3.36Å; R49-K52 PolarHBondContact O-N 3.31Å |
| 50 | L | 86.9 | Confident | 77.6 | Confident | 24 Ų | 24 | 112 Ų | 112 | 13% | 0.126 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -69.4 | -31.3 | 177.7 | -67.1 | 168.6 | 0 | 0 | 0 | 112.5 | E46 I47 K52 E68 E71 M72 | E46-L50 HydrophobicContact CG-CD1 4.46Å; E46-L50 WeakPolarHBondContact O-CG 3.43Å; E46-L50 PolarHBondContact O-N 3.34Å; I47-L50 PolarHBondContact O-N 3.38Å; L50-K52 PolarHBondContact O-N 3.13Å; L50-E68 HydrophobicContact CD2-CG 4.22Å; L50-E71 HydrophobicContact CD1-CB 4.01Å; L50-E71 HydrophobicContact CD1-CG 3.76Å; L50-M72 HydrophobicContact CB-CG 3.85Å; L50-M72 HydrophobicContact CB-SD 4.15Å; L50-M72 HydrophobicContact CD1-CG 3.85Å |
| 51 | A | 84.1 | Confident | 75.9 | Confident | 58 Ų | 58 | 115 Ų | 115 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | -4.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I47 V53 M72 | I47-A51 VanDerWaalsContact O-CB 3.32Å; I47-A51 WeakPolarHBondContact O-CB 3.43Å; I47-A51 PolarHBondContact O-N 2.94Å; A51-V53 PolarHBondContact O-N 2.66Å; A51-M72 HydrophobicContact CB-SD 4.4Å |
| 52 | K | 78.2 | Confident | 74.5 | Confident | 165 Ų | 165 | 113.8 Ų | 113.8 | 72% | 0.717 | 57% | 0.566 | S | S | * | * | trans | -80 | 110.5 | -172 | -149.9 | 177.7 | -173.3 | -177.1 | 0 | 110.5 | R49 L50 T54 | R49-K52 WeakPolarHBondContact O-CB 3.36Å; R49-K52 PolarHBondContact O-N 3.31Å; L50-K52 PolarHBondContact O-N 3.13Å; K52-T54 PolarHBondContact O-N 3.09Å | ||
| 53 | V | 65 | Low | 73.4 | Confident | 139 Ų | 139 | 114.5 Ų | 114.5 | 84% | 0.842 | 58% | 0.577 | S | S | * | * | trans | -71.9 | 113.3 | 179.9 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | A51 | A51-V53 PolarHBondContact O-N 2.66Š| ||
| 54 | T | 63.9 | Low | 72.5 | Confident | 126 Ų | 126 | 118.5 Ų | 118.5 | 77% | 0.773 | 60% | 0.595 | S | S | * | * | trans | -94.1 | 134.7 | 167.1 | 32.6 | 0 | 0 | 0 | 0 | 111 | K52 E56 | K52-T54 PolarHBondContact O-N 3.09Å; T54-E56 PolarHBondContact O-N 3.32Å | ||
| 55 | E | 48.7 | Very low | 71.6 | Confident | 185 Ų | 185 | 120 Ų | 120 | 86% | 0.864 | 60% | 0.598 | S | S | * | * | trans | -74.8 | 111.2 | 170.7 | -70.4 | -176.8 | 161 | 0 | 0 | 109.1 | ||||
| 56 | E | 49.5 | Very low | 71 | Confident | 160 Ų | 160 | 120.8 Ų | 120.8 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | trans | 170.8 | 152.9 | 137 | -92.8 | 169.9 | -172.3 | 0 | 0 | 114.3 | T54 R61 | T54-E56 PolarHBondContact O-N 3.32Å; E56-R61 PolarHBondContact O-NE 2.91Å; E56-R61 PolarHBondContact O-NH2 3.46Å | ||
| 57 | T | 51.6 | Low | 70.6 | Confident | 114 Ų | 114 | 124.3 Ų | 124.3 | 70% | 0.699 | 61% | 0.613 | S | S | * | * | trans | 40.7 | 143 | 170.9 | 63 | 0 | 0 | 0 | 0 | 124.1 | R61 | T57-R61 PolarHBondContact O-NE 3.38Š| ||
| 58 | Q | 55.1 | Low | 70.4 | Confident | 183 Ų | 183 | 126.3 Ų | 126.3 | 86% | 0.855 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -95.6 | -3.1 | -147.8 | -71 | -175.4 | -17 | 0 | 0 | 118 | ||
| 59 | M | 47.8 | Very low | 70.2 | Confident | 184 Ų | 184 | 125.6 Ų | 125.6 | 91% | 0.906 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -120.6 | -23.2 | -167.4 | -143.1 | -177.6 | -63.4 | 0 | 0 | 116.1 | R61 | M59-R61 VanDerWaalsContact C-N 3.27Š|
| 60 | H | 53.9 | Low | 70.3 | Confident | 136 Ų | 136 | 124.1 Ų | 124.1 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -79.3 | -11.9 | 173.4 | -133.4 | -95 | 0 | 0 | 0 | 112.9 | L62 E64 | H60-L62 PolarHBondContact O-N 2.98Å; H60-E64 IonicContact CE1-OE1 3.03Å; H60-E64 PolarHBondContact CE1-OE1 3.35Å; H60-E64 IonicContact CG-OE1 2.96Å; H60-E64 IonicContact ND1-OE1 2.76Å; H60-E64 PolarHBondContact ND1-OE1 2.88Å; H60-E64 IonicContact ND1-OE2 3.19Å |
| 61 | R | 59.7 | Low | 70.5 | Confident | 126 Ų | 126 | 125.6 Ų | 125.6 | 48% | 0.475 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.8 | -33.7 | -166.7 | -75.3 | -174.9 | -166 | -172.2 | -2.5 | 116.6 | E56 T57 M59 Y65 | E56-R61 PolarHBondContact O-NE 2.91Å; E56-R61 PolarHBondContact O-NH2 3.46Å; T57-R61 PolarHBondContact O-NE 3.38Å; M59-R61 VanDerWaalsContact C-N 3.27Å; R61-Y65 WeakPolarHBondContact O-CB 3.49Å; R61-Y65 PolarHBondContact O-N 2.75Å |
| 62 | L | 66.8 | Low | 70.9 | Confident | 134 Ų | 134 | 125.1 Ų | 125.1 | 70% | 0.702 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.2 | -47.9 | -169.6 | -110.6 | 143.2 | 0 | 0 | 0 | 111.5 | H60 E66 | H60-L62 PolarHBondContact O-N 2.98Å; L62-E66 WeakPolarHBondContact O-CB 3.49Å; L62-E66 WeakPolarHBondContact O-CG 3.34Å; L62-E66 PolarHBondContact O-N 3.42Å |
| 63 | T | 74.2 | Confident | 71.6 | Confident | 107 Ų | 107 | 122.9 Ų | 122.9 | 66% | 0.656 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.2 | -38.6 | 179.1 | -21.2 | 0 | 0 | 0 | 0 | 112.2 | H67 | T63-H67 VanDerWaalsContact O-CB 3.29Å; T63-H67 WeakPolarHBondContact O-CB 3.38Å; T63-H67 PolarHBondContact O-N 2.99Å |
| 64 | E | 76.7 | Confident | 73 | Confident | 94 Ų | 94 | 120.4 Ų | 120.4 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.8 | -44.5 | 174.1 | -81.1 | 174.9 | 171.6 | 0 | 0 | 111.5 | H60 E66 H67 E68 | H60-E64 IonicContact CE1-OE1 3.03Å; H60-E64 PolarHBondContact CE1-OE1 3.35Å; H60-E64 IonicContact CG-OE1 2.96Å; H60-E64 IonicContact ND1-OE1 2.76Å; H60-E64 PolarHBondContact ND1-OE1 2.88Å; H60-E64 IonicContact ND1-OE2 3.19Å; E64-E66 PolarHBondContact O-N 3.27Å; E64-H67 WeakPolarHBondContact O-CB 3.48Å; E64-H67 PolarHBondContact O-N 3.35Å; E64-E68 WeakPolarHBondContact O-CB 3.37Å; E64-E68 VanDerWaalsContact O-CG 3.3Å; E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 3.46Å |
| 65 | Y | 78.6 | Confident | 74.5 | Confident | 138 Ų | 138 | 117.9 Ų | 117.9 | 54% | 0.541 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -43.5 | 177 | 180 | -96.5 | 0 | 0 | 0 | 112.2 | R61 H67 E68 Q69 | R61-Y65 WeakPolarHBondContact O-CB 3.49Å; R61-Y65 PolarHBondContact O-N 2.75Å; Y65-H67 VanDerWaalsContact C-N 3.34Å; Y65-E68 PolarHBondContact O-N 3.5Å; Y65-Q69 HydrophobicContact CE1-CG 4.16Å; Y65-Q69 WeakPolarHBondContact O-CB 3.21Å; Y65-Q69 PolarHBondContact O-N 3.13Å |
| 66 | E | 81.3 | Confident | 76.6 | Confident | 97 Ų | 97 | 111.1 Ų | 111.1 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 173.3 | -80.2 | -175.7 | 163.2 | 0 | 0 | 111.4 | L62 E64 Q69 Y70 | L62-E66 WeakPolarHBondContact O-CB 3.49Å; L62-E66 WeakPolarHBondContact O-CG 3.34Å; L62-E66 PolarHBondContact O-N 3.42Å; E64-E66 PolarHBondContact O-N 3.27Å; E66-Q69 WeakPolarHBondContact O-CB 3.48Å; E66-Q69 PolarHBondContact O-N 2.94Å; E66-Y70 HydrophobicContact CB-CE2 4.46Å; E66-Y70 WeakPolarHBondContact O-CD2 3.21Å; E66-Y70 PolarHBondContact O-N 3.16Å |
| 67 | H | 86.3 | Confident | 78.7 | Confident | 127 Ų | 127 | 107 Ų | 107 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.6 | -47.6 | 177.6 | -171.5 | 70.6 | 0 | 0 | 0 | 112.2 | T63 E64 Y65 Q69 Y70 E71 | T63-H67 VanDerWaalsContact O-CB 3.29Å; T63-H67 WeakPolarHBondContact O-CB 3.38Å; T63-H67 PolarHBondContact O-N 2.99Å; E64-H67 WeakPolarHBondContact O-CB 3.48Å; E64-H67 PolarHBondContact O-N 3.35Å; Y65-H67 VanDerWaalsContact C-N 3.34Å; H67-Q69 VanDerWaalsContact C-N 3.31Å; H67-Q69 PolarHBondContact O-N 2.83Å; H67-Y70 PolarHBondContact O-N 2.95Å; H67-E71 PolarHBondContact O-N 3.16Å |
| 68 | E | 87.7 | Confident | 80.7 | Confident | 76 Ų | 76 | 104.5 Ų | 104.5 | 36% | 0.355 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 176 | -71.2 | 175.2 | 168.3 | 0 | 0 | 111.5 | L50 E64 Y65 E71 M72 | L50-E68 HydrophobicContact CD2-CG 4.22Å; E64-E68 WeakPolarHBondContact O-CB 3.37Å; E64-E68 VanDerWaalsContact O-CG 3.3Å; E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 3.46Å; Y65-E68 PolarHBondContact O-N 3.5Å; E68-E71 PolarHBondContact O-N 3.47Å; E68-M72 WeakPolarHBondContact O-CB 3.44Å; E68-M72 WeakPolarHBondContact O-CE 3.4Å; E68-M72 PolarHBondContact O-N 3.27Å |
| 69 | Q | 88.8 | Confident | 82.6 | Confident | 88 Ų | 88 | 97.7 Ų | 97.7 | 41% | 0.411 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 172.6 | -101.8 | -142.6 | -17 | 0 | 0 | 112.2 | Y65 E66 H67 E71 M72 Q73 | Y65-Q69 HydrophobicContact CE1-CG 4.16Å; Y65-Q69 WeakPolarHBondContact O-CB 3.21Å; Y65-Q69 PolarHBondContact O-N 3.13Å; E66-Q69 WeakPolarHBondContact O-CB 3.48Å; E66-Q69 PolarHBondContact O-N 2.94Å; H67-Q69 VanDerWaalsContact C-N 3.31Å; H67-Q69 PolarHBondContact O-N 2.83Å; Q69-E71 VanDerWaalsContact C-N 3.33Å; Q69-M72 PolarHBondContact O-N 3.19Å; Q69-Q73 PolarHBondContact O-N 3.34Å |
| 70 | Y | 90.8 | Very high | 84.8 | Confident | 146 Ų | 146 | 93.4 Ų | 93.4 | 57% | 0.573 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.3 | -39.9 | 178.3 | -74.3 | -55.1 | 0 | 0 | 0 | 111.6 | E66 H67 Q73 V74 | E66-Y70 HydrophobicContact CB-CE2 4.46Å; E66-Y70 WeakPolarHBondContact O-CD2 3.21Å; E66-Y70 PolarHBondContact O-N 3.16Å; H67-Y70 PolarHBondContact O-N 2.95Å; Y70-Q73 PolarHBondContact O-N 3.09Å; Y70-V74 WeakPolarHBondContact O-CG2 3.18Å; Y70-V74 PolarHBondContact O-N 3.11Å |
| 71 | E | 92.3 | Very high | 86.6 | Confident | 55 Ų | 55 | 95.3 Ų | 95.3 | 26% | 0.257 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.3 | -171.1 | 172.3 | 176.4 | 0 | 0 | 111.2 | L50 H67 E68 Q69 Q73 V74 R75 | L50-E71 HydrophobicContact CD1-CB 4.01Å; L50-E71 HydrophobicContact CD1-CG 3.76Å; H67-E71 PolarHBondContact O-N 3.16Å; E68-E71 PolarHBondContact O-N 3.47Å; Q69-E71 VanDerWaalsContact C-N 3.33Å; E71-Q73 VanDerWaalsContact C-N 3.3Å; E71-Q73 PolarHBondContact O-N 3.18Å; E71-V74 PolarHBondContact O-N 3.44Å; E71-V74 VanDerWaalsContact O-N 3.15Å; E71-R75 HydrophobicContact CG-CG 4.26Å; E71-R75 WeakPolarHBondContact O-CG 3.42Å; E71-R75 PolarHBondContact O-N 3.32Å; E71-R75 IonicContact OE1-CZ 3.24Å; E71-R75 IonicContact OE1-NE 3.52Å; E71-R75 PolarHBondContact OE1-NE 3.48Å; E71-R75 IonicContact OE1-NH2 3.84Å; E71-R75 PolarHBondContact OE1-NH2 2.85Å |
| 72 | M | 92.2 | Very high | 88.3 | Confident | 47 Ų | 47 | 89.9 Ų | 89.9 | 23% | 0.232 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -57.9 | -40.7 | 174.8 | -86.5 | -176.3 | -69.8 | 0 | 0 | 112.5 | I47 L50 A51 E68 Q69 R75 A76 | I47-M72 HydrophobicContact CB-CG 4.46Å; I47-M72 HydrophobicContact CG1-CG 4.31Å; I47-M72 HydrophobicContact CG2-CG 4.16Å; I47-M72 HydrophobicContact CG2-SD 4.21Å; L50-M72 HydrophobicContact CB-CG 3.85Å; L50-M72 HydrophobicContact CB-SD 4.15Å; L50-M72 HydrophobicContact CD1-CG 3.85Å; A51-M72 HydrophobicContact CB-SD 4.4Å; E68-M72 WeakPolarHBondContact O-CB 3.44Å; E68-M72 WeakPolarHBondContact O-CE 3.4Å; E68-M72 PolarHBondContact O-N 3.27Å; Q69-M72 PolarHBondContact O-N 3.19Å; M72-R75 PolarHBondContact O-N 2.74Å; M72-A76 WeakPolarHBondContact O-CB 3.37Å; M72-A76 PolarHBondContact O-N 3.36Å |
| 73 | Q | 92.3 | Very high | 89.5 | Confident | 119 Ų | 119 | 85.1 Ų | 85.1 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 175.2 | -82.1 | -174.4 | -2.6 | 0 | 0 | 112.3 | Q69 Y70 E71 R75 A76 S77 | Q69-Q73 PolarHBondContact O-N 3.34Å; Y70-Q73 PolarHBondContact O-N 3.09Å; E71-Q73 VanDerWaalsContact C-N 3.3Å; E71-Q73 PolarHBondContact O-N 3.18Å; Q73-R75 VanDerWaalsContact C-N 3.35Å; Q73-R75 PolarHBondContact O-N 3.16Å; Q73-A76 PolarHBondContact O-N 2.97Å; Q73-S77 WeakPolarHBondContact O-CB 3.5Å; Q73-S77 PolarHBondContact O-N 3.01Å |
| 74 | V | 94.5 | Very high | 90.3 | Very high | 87 Ų | 87 | 86.5 Ų | 86.5 | 53% | 0.527 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.3 | 172 | 0 | 0 | 0 | 0 | 110.8 | Y70 E71 S77 N78 | Y70-V74 WeakPolarHBondContact O-CG2 3.18Å; Y70-V74 PolarHBondContact O-N 3.11Å; E71-V74 PolarHBondContact O-N 3.44Å; E71-V74 VanDerWaalsContact O-N 3.15Å; V74-S77 WeakPolarHBondContact O-CB 3.36Å; V74-S77 PolarHBondContact O-N 3.11Å; V74-N78 PolarHBondContact O-N 3.46Å; V74-N78 PolarHBondContact O-ND2 2.93Å |
| 75 | R | 94.7 | Very high | 91 | Very high | 73 Ų | 73 | 84.4 Ų | 84.4 | 28% | 0.275 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.6 | -62.5 | -77.4 | -179.3 | 179.3 | 1.3 | 111.3 | N43 I47 E71 M72 Q73 S77 N78 M79 | N43-R75 HydrophobicContact CB-CB 4.33Å; N43-R75 WeakPolarHBondContact OD1-CD 3.34Å; I47-R75 HydrophobicContact CD1-CB 3.83Å; I47-R75 HydrophobicContact CG1-CB 3.59Å; I47-R75 HydrophobicContact CG1-CG 4.37Å; E71-R75 HydrophobicContact CG-CG 4.26Å; E71-R75 WeakPolarHBondContact O-CG 3.42Å; E71-R75 PolarHBondContact O-N 3.32Å; E71-R75 IonicContact OE1-CZ 3.24Å; E71-R75 IonicContact OE1-NE 3.52Å; E71-R75 PolarHBondContact OE1-NE 3.48Å; E71-R75 IonicContact OE1-NH2 3.84Å; E71-R75 PolarHBondContact OE1-NH2 2.85Å; M72-R75 PolarHBondContact O-N 2.74Å; Q73-R75 VanDerWaalsContact C-N 3.35Å; Q73-R75 PolarHBondContact O-N 3.16Å; R75-S77 VanDerWaalsContact C-N 3.34Å; R75-S77 PolarHBondContact O-N 3.37Å; R75-N78 PolarHBondContact O-N 3.48Å; R75-M79 WeakPolarHBondContact O-CG 3.43Å; R75-M79 PolarHBondContact O-N 3.43Å |
| 76 | A | 93.7 | Very high | 91.8 | Very high | 42 Ų | 42 | 79.5 Ų | 79.5 | 35% | 0.347 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | I47 M72 Q73 N78 M79 T80 | I47-A76 HydrophobicContact CD1-CB 4.25Å; M72-A76 WeakPolarHBondContact O-CB 3.37Å; M72-A76 PolarHBondContact O-N 3.36Å; Q73-A76 PolarHBondContact O-N 2.97Å; A76-N78 VanDerWaalsContact C-N 3.33Å; A76-N78 PolarHBondContact O-N 3.39Å; A76-M79 WeakPolarHBondContact O-CB 3.16Å; A76-M79 PolarHBondContact O-N 2.99Å; A76-T80 PolarHBondContact O-N 3.36Å; A76-T80 PolarHBondContact O-OG1 3.47Å; A76-T80 VanDerWaalsContact O-OG1 3.13Å |
| 77 | S | 93.7 | Very high | 92.2 | Very high | 75 Ų | 75 | 80.7 Ų | 80.7 | 52% | 0.524 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 174.7 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | Q73 V74 R75 M79 T80 R81 | Q73-S77 WeakPolarHBondContact O-CB 3.5Å; Q73-S77 PolarHBondContact O-N 3.01Å; V74-S77 WeakPolarHBondContact O-CB 3.36Å; V74-S77 PolarHBondContact O-N 3.11Å; R75-S77 VanDerWaalsContact C-N 3.34Å; R75-S77 PolarHBondContact O-N 3.37Å; S77-M79 VanDerWaalsContact C-N 3.34Å; S77-T80 PolarHBondContact O-N 3.46Å; S77-R81 PolarHBondContact O-N 2.93Å |
| 78 | N | 93.3 | Very high | 92.4 | Very high | 60 Ų | 60 | 79.6 Ų | 79.6 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 176.6 | -72.6 | -25.3 | 0 | 0 | 0 | 112.4 | V74 R75 A76 S82 | V74-N78 PolarHBondContact O-N 3.46Å; V74-N78 PolarHBondContact O-ND2 2.93Å; R75-N78 PolarHBondContact O-N 3.48Å; A76-N78 VanDerWaalsContact C-N 3.33Å; A76-N78 PolarHBondContact O-N 3.39Å; N78-S82 WeakPolarHBondContact O-CB 3.25Å; N78-S82 PolarHBondContact O-N 3.19Å; N78-S82 PolarHBondContact O-OG 3.48Å |
| 79 | M | 96.2 | Very high | 92.6 | Very high | 40 Ų | 40 | 76 Ų | 76 | 20% | 0.197 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 172.7 | -70.1 | 174.6 | 55.1 | 0 | 0 | 111.4 | N43 F44 I47 R75 A76 S77 R81 S82 A83 | N43-M79 HydrophobicContact CB-CG 3.47Å; N43-M79 VanDerWaalsContact CB-CG 3.47Å; N43-M79 HydrophobicContact CB-SD 4.12Å; F44-M79 HydrophobicContact CB-CE 3.99Å; F44-M79 HydrophobicContact CB-SD 3.92Å; F44-M79 HydrophobicContact CD2-CE 3.91Å; F44-M79 HydrophobicContact CD2-SD 4.37Å; F44-M79 HydrophobicContact CG-CE 4.4Å; I47-M79 HydrophobicContact CD1-SD 3.7Å; R75-M79 WeakPolarHBondContact O-CG 3.43Å; R75-M79 PolarHBondContact O-N 3.43Å; A76-M79 WeakPolarHBondContact O-CB 3.16Å; A76-M79 PolarHBondContact O-N 2.99Å; S77-M79 VanDerWaalsContact C-N 3.34Å; M79-R81 VanDerWaalsContact C-N 3.33Å; M79-R81 PolarHBondContact O-N 2.99Å; M79-S82 WeakPolarHBondContact O-CB 3.48Å; M79-S82 PolarHBondContact O-N 2.97Å; M79-S82 VanDerWaalsContact O-N 3.12Å; M79-A83 PolarHBondContact O-N 3.07Å |
| 80 | T | 92.6 | Very high | 92.6 | Very high | 95 Ų | 95 | 76.1 Ų | 76.1 | 58% | 0.583 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.1 | -46.1 | 178.4 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | A76 S77 S82 A83 E84 | A76-T80 PolarHBondContact O-N 3.36Å; A76-T80 PolarHBondContact O-OG1 3.47Å; A76-T80 VanDerWaalsContact O-OG1 3.13Å; S77-T80 PolarHBondContact O-N 3.46Å; T80-S82 VanDerWaalsContact C-N 3.31Å; T80-S82 PolarHBondContact O-N 3.11Å; T80-A83 WeakPolarHBondContact O-CB 3.46Å; T80-A83 PolarHBondContact O-N 3.38Å; T80-E84 PolarHBondContact O-N 3.23Å |
| 81 | R | 91.9 | Very high | 92.4 | Very high | 176 Ų | 176 | 72 Ų | 72 | 66% | 0.664 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.7 | -38.4 | 176.3 | -179.7 | 178.8 | 156 | -177.1 | -5.5 | 112.6 | S77 M79 E84 T85 | S77-R81 PolarHBondContact O-N 2.93Å; M79-R81 VanDerWaalsContact C-N 3.33Å; M79-R81 PolarHBondContact O-N 2.99Å; R81-E84 PolarHBondContact O-N 3.43Å; R81-T85 PolarHBondContact O-N 3.29Å; R81-T85 PolarHBondContact O-OG1 2.95Å |
| 82 | S | 94.7 | Very high | 92.1 | Very high | 12 Ų | 12 | 70.8 Ų | 70.8 | 8% | 0.084 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68 | -38.4 | 177.2 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | S39 N78 M79 T80 T85 L86 | S39-S82 PolarHBondContact OG-OG 2.97Å; N78-S82 WeakPolarHBondContact O-CB 3.25Å; N78-S82 PolarHBondContact O-N 3.19Å; N78-S82 PolarHBondContact O-OG 3.48Å; M79-S82 WeakPolarHBondContact O-CB 3.48Å; M79-S82 PolarHBondContact O-N 2.97Å; M79-S82 VanDerWaalsContact O-N 3.12Å; T80-S82 VanDerWaalsContact C-N 3.31Å; T80-S82 PolarHBondContact O-N 3.11Å; S82-T85 PolarHBondContact O-N 3.15Å; S82-L86 PolarHBondContact O-N 3.47Å |
| 83 | A | 92.8 | Very high | 91.9 | Very high | 34 Ų | 34 | 70.7 Ų | 70.7 | 28% | 0.281 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | M40 M79 T80 T85 L86 I87 | M40-A83 HydrophobicContact SD-CB 4.24Å; M79-A83 PolarHBondContact O-N 3.07Å; T80-A83 WeakPolarHBondContact O-CB 3.46Å; T80-A83 PolarHBondContact O-N 3.38Å; A83-T85 VanDerWaalsContact C-N 3.33Å; A83-T85 PolarHBondContact O-N 3.45Å; A83-L86 WeakPolarHBondContact O-CB 3.4Å; A83-L86 PolarHBondContact O-N 3.28Å; A83-I87 WeakPolarHBondContact O-CG1 3.45Å; A83-I87 PolarHBondContact O-N 3.26Å |
| 84 | E | 90.4 | Very high | 91.4 | Very high | 135 Ų | 135 | 73.7 Ų | 73.7 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 175.2 | -167.6 | 174.6 | -155.8 | 0 | 0 | 111.7 | T80 R81 L86 I87 Q88 | T80-E84 PolarHBondContact O-N 3.23Å; R81-E84 PolarHBondContact O-N 3.43Å; E84-L86 VanDerWaalsContact C-N 3.31Å; E84-L86 PolarHBondContact O-N 2.98Å; E84-I87 PolarHBondContact O-N 3.23Å; E84-Q88 PolarHBondContact O-N 3.25Å |
| 85 | T | 92.9 | Very high | 90.7 | Very high | 50 Ų | 50 | 75.1 Ų | 75.1 | 31% | 0.307 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 175.4 | -51.3 | 0 | 0 | 0 | 0 | 112 | R32 R81 S82 A83 T89 | R32-T85 HydrophobicContact CG-CG2 4.2Å; R81-T85 PolarHBondContact O-N 3.29Å; R81-T85 PolarHBondContact O-OG1 2.95Å; S82-T85 PolarHBondContact O-N 3.15Å; A83-T85 VanDerWaalsContact C-N 3.33Å; A83-T85 PolarHBondContact O-N 3.45Å; T85-T89 WeakPolarHBondContact O-CB 3.42Å; T85-T89 PolarHBondContact O-N 3.22Å; T85-T89 PolarHBondContact O-OG1 3.33Å |
| 86 | L | 93.8 | Very high | 90.2 | Very high | 35 Ų | 35 | 73 Ų | 73 | 18% | 0.183 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 174 | -94.5 | 157.6 | 0 | 0 | 0 | 111.9 | V33 V37 M40 S82 A83 E84 Q88 T89 V90 | V33-L86 HydrophobicContact CB-CD2 4.36Å; V33-L86 HydrophobicContact CG1-CD2 4.08Å; V33-L86 HydrophobicContact CG2-CD2 4.19Å; V37-L86 HydrophobicContact CG2-CD1 3.98Å; V37-L86 HydrophobicContact CG2-CD2 4.34Å; M40-L86 HydrophobicContact SD-CD1 3.88Å; S82-L86 PolarHBondContact O-N 3.47Å; A83-L86 WeakPolarHBondContact O-CB 3.4Å; A83-L86 PolarHBondContact O-N 3.28Å; E84-L86 VanDerWaalsContact C-N 3.31Å; E84-L86 PolarHBondContact O-N 2.98Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.15Å; L86-T89 PolarHBondContact O-N 2.96Å; L86-T89 VanDerWaalsContact O-N 3.16Å; L86-V90 WeakPolarHBondContact O-CG2 3.39Å; L86-V90 PolarHBondContact O-N 3.33Å |
| 87 | I | 90.7 | Very high | 89.5 | Confident | 122 Ų | 122 | 76.6 Ų | 76.6 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.4 | -45.8 | 177.1 | -68.9 | 166.3 | 0 | 0 | 0 | 110.2 | A83 E84 T89 V90 S91 | A83-I87 WeakPolarHBondContact O-CG1 3.45Å; A83-I87 PolarHBondContact O-N 3.26Å; E84-I87 PolarHBondContact O-N 3.23Å; I87-T89 VanDerWaalsContact C-N 3.34Å; I87-T89 PolarHBondContact O-N 3.47Å; I87-V90 PolarHBondContact O-N 3.33Å; I87-S91 PolarHBondContact O-N 3.39Å |
| 88 | Q | 90.4 | Very high | 88.5 | Confident | 105 Ų | 105 | 77.6 Ų | 77.6 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.8 | -169.7 | 60.4 | 43.8 | 0 | 0 | 111.6 | E84 L86 V90 S91 D92 | E84-Q88 PolarHBondContact O-N 3.25Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.15Å; Q88-V90 VanDerWaalsContact C-N 3.33Å; Q88-V90 PolarHBondContact O-N 3.24Å; Q88-S91 WeakPolarHBondContact O-CB 3.48Å; Q88-S91 PolarHBondContact O-N 3.49Å; Q88-S91 VanDerWaalsContact O-N 3.14Å; Q88-D92 PolarHBondContact NE2-OD1 3.38Å; Q88-D92 VanDerWaalsContact O-CG 3.23Å; Q88-D92 PolarHBondContact O-N 2.96Å |
| 89 | T | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 178.6 | -55 | 0 | 0 | 0 | 0 | 112.3 | Y29 R32 V33 T85 L86 I87 D92 L93 | Y29-T89 HydrophobicContact CD1-CG2 3.89Å; Y29-T89 HydrophobicContact CG-CG2 4.43Å; R32-T89 WeakPolarHBondContact CD-OG1 3.29Å; V33-T89 HydrophobicContact CG2-CG2 3.79Å; T85-T89 WeakPolarHBondContact O-CB 3.42Å; T85-T89 PolarHBondContact O-N 3.22Å; T85-T89 PolarHBondContact O-OG1 3.33Å; L86-T89 PolarHBondContact O-N 2.96Å; L86-T89 VanDerWaalsContact O-N 3.16Å; I87-T89 VanDerWaalsContact C-N 3.34Å; I87-T89 PolarHBondContact O-N 3.47Å; T89-D92 PolarHBondContact O-N 3.3Å; T89-L93 HydrophobicContact CG2-CD1 4.32Å; T89-L93 WeakPolarHBondContact O-CB 3.4Å; T89-L93 WeakPolarHBondContact O-CG 3.48Å; T89-L93 PolarHBondContact O-N 2.84Å |
| 90 | V | 88.8 | Confident | 86.4 | Confident | 91 Ų | 91 | 79.8 Ų | 79.8 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.8 | -41.7 | 174 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L86 I87 Q88 L93 R94 | L86-V90 WeakPolarHBondContact O-CG2 3.39Å; L86-V90 PolarHBondContact O-N 3.33Å; I87-V90 PolarHBondContact O-N 3.33Å; Q88-V90 VanDerWaalsContact C-N 3.33Å; Q88-V90 PolarHBondContact O-N 3.24Å; V90-L93 PolarHBondContact O-N 3.49Å; V90-R94 WeakPolarHBondContact O-CB 3.49Å; V90-R94 PolarHBondContact O-N 3.4Å |
| 91 | S | 85.6 | Confident | 85.6 | Confident | 58 Ų | 58 | 79.1 Ų | 79.1 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 174.9 | -168.8 | 0 | 0 | 0 | 0 | 111.5 | I87 Q88 L93 R94 Q95 | I87-S91 PolarHBondContact O-N 3.39Å; Q88-S91 WeakPolarHBondContact O-CB 3.48Å; Q88-S91 PolarHBondContact O-N 3.49Å; Q88-S91 VanDerWaalsContact O-N 3.14Å; S91-L93 PolarHBondContact O-N 3.35Å; S91-R94 WeakPolarHBondContact O-CB 3.49Å; S91-R94 PolarHBondContact O-N 2.89Å; S91-Q95 PolarHBondContact O-N 3.44Å |
| 92 | D | 87 | Confident | 84.7 | Confident | 30 Ų | 30 | 75.9 Ų | 75.9 | 16% | 0.16 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 179.1 | -63.6 | -8.5 | 0 | 0 | 0 | 111.5 | Y29 R32 Q88 T89 Q95 F96 | Y29-D92 HydrophobicContact CE1-CB 3.64Å; R32-D92 IonicContact NH1-OD2 3.52Å; Q88-D92 PolarHBondContact NE2-OD1 3.38Å; Q88-D92 VanDerWaalsContact O-CG 3.23Å; Q88-D92 PolarHBondContact O-N 2.96Å; T89-D92 PolarHBondContact O-N 3.3Å; D92-Q95 PolarHBondContact O-N 3.33Å; D92-F96 WeakPolarHBondContact O-CB 3.41Å; D92-F96 PolarHBondContact O-N 3.38Å |
| 93 | L | 87.1 | Confident | 83.7 | Confident | 45 Ų | 45 | 78.8 Ų | 78.8 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 174.5 | -86.1 | 166.4 | 0 | 0 | 0 | 112.4 | L26 Y29 T89 V90 S91 Q95 F96 L97 | L26-L93 HydrophobicContact CD2-CD2 4.26Å; Y29-L93 HydrophobicContact CD2-CD2 3.57Å; Y29-L93 HydrophobicContact CD2-CG 3.98Å; Y29-L93 HydrophobicContact CE2-CD2 4.19Å; Y29-L93 HydrophobicContact CE2-CG 4.47Å; Y29-L93 HydrophobicContact CG-CD2 4.03Å; Y29-L93 HydrophobicContact CG-CG 4.04Å; T89-L93 HydrophobicContact CG2-CD1 4.32Å; T89-L93 WeakPolarHBondContact O-CB 3.4Å; T89-L93 WeakPolarHBondContact O-CG 3.48Å; T89-L93 PolarHBondContact O-N 2.84Å; V90-L93 PolarHBondContact O-N 3.49Å; S91-L93 PolarHBondContact O-N 3.35Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; L93-F96 WeakPolarHBondContact O-CB 3.13Å; L93-F96 PolarHBondContact O-N 3.18Å; L93-L97 WeakPolarHBondContact O-CG 3.28Å; L93-L97 PolarHBondContact O-N 3.04Å |
| 94 | R | 81.7 | Confident | 83 | Confident | 183 Ų | 183 | 83.4 Ų | 83.4 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 176.2 | -165.6 | -179.6 | -172.1 | 175 | 2.7 | 110.5 | V90 S91 L97 I98 | V90-R94 WeakPolarHBondContact O-CB 3.49Å; V90-R94 PolarHBondContact O-N 3.4Å; S91-R94 WeakPolarHBondContact O-CB 3.49Å; S91-R94 PolarHBondContact O-N 2.89Å; R94-L97 PolarHBondContact O-N 3.41Å; R94-I98 HydrophobicContact CG-CD1 4.14Å; R94-I98 WeakPolarHBondContact O-CD1 3.33Å; R94-I98 VanDerWaalsContact O-CG1 3.24Å; R94-I98 WeakPolarHBondContact O-CG1 3.48Å; R94-I98 PolarHBondContact O-N 3.35Å |
| 95 | Q | 81.6 | Confident | 82.3 | Confident | 117 Ų | 117 | 79.6 Ų | 79.6 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 174.7 | -125.6 | 173.8 | 3.3 | 0 | 0 | 111.8 | S91 D92 L93 L97 I98 L99 | S91-Q95 PolarHBondContact O-N 3.44Å; D92-Q95 PolarHBondContact O-N 3.33Å; L93-Q95 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 2.99Å; Q95-I98 PolarHBondContact O-N 3.42Å; Q95-L99 VanDerWaalsContact O-CB 3.32Å; Q95-L99 WeakPolarHBondContact O-CB 3.25Å; Q95-L99 VanDerWaalsContact O-CG 3.3Å; Q95-L99 WeakPolarHBondContact O-CG 3.47Å; Q95-L99 PolarHBondContact O-N 3.36Å |
| 96 | F | 82.6 | Confident | 81.7 | Confident | 27 Ų | 27 | 81.7 Ų | 81.7 | 12% | 0.118 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 175.1 | 177.7 | -92.4 | 0 | 0 | 0 | 111.5 | K22 L25 L26 Y29 D92 L93 N100 | K22-F96 HydrophobicContact CB-CE2 4.43Å; K22-F96 HydrophobicContact CB-CZ 4.19Å; K22-F96 HydrophobicContact CG-CE2 4.26Å; K22-F96 HydrophobicContact CG-CZ 4.31Å; L25-F96 HydrophobicContact CD2-CD2 3.6Å; L25-F96 HydrophobicContact CD2-CE2 3.79Å; L26-F96 HydrophobicContact CD1-CE1 4.27Å; L26-F96 HydrophobicContact CD1-CZ 4.36Å; L26-F96 HydrophobicContact CD2-CE1 4.32Å; L26-F96 HydrophobicContact CG-CE1 4.19Å; L26-F96 HydrophobicContact CG-CZ 4.31Å; Y29-F96 HydrophobicContact CE2-CB 4.4Å; D92-F96 WeakPolarHBondContact O-CB 3.41Å; D92-F96 PolarHBondContact O-N 3.38Å; L93-F96 WeakPolarHBondContact O-CB 3.13Å; L93-F96 PolarHBondContact O-N 3.18Å; F96-N100 WeakPolarHBondContact CD2-ND2 3.35Å; F96-N100 WeakPolarHBondContact CE2-ND2 3.29Å; F96-N100 WeakPolarHBondContact CG-ND2 3.38Å; F96-N100 WeakPolarHBondContact O-CB 3.38Å; F96-N100 PolarHBondContact O-N 3.43Å; F96-N100 PolarHBondContact O-ND2 3.4Å |
| 97 | L | 78.7 | Confident | 81.2 | Confident | 118 Ų | 118 | 86.4 Ų | 86.4 | 62% | 0.618 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.3 | -48.7 | 177.6 | -80 | 163.1 | 0 | 0 | 0 | 111.6 | L93 R94 Q95 L99 N100 D101 | L93-L97 WeakPolarHBondContact O-CG 3.28Å; L93-L97 PolarHBondContact O-N 3.04Å; R94-L97 PolarHBondContact O-N 3.41Å; Q95-L97 PolarHBondContact O-N 2.99Å; L97-L99 PolarHBondContact O-N 3.33Å; L97-N100 PolarHBondContact O-N 3.42Å; L97-D101 PolarHBondContact O-N 2.87Å; L97-D101 VanDerWaalsContact O-N 3.09Å |
| 98 | I | 73.8 | Confident | 80.7 | Confident | 97 Ų | 97 | 82.4 Ų | 82.4 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.6 | -52.3 | 178.5 | -68.2 | 165.3 | 0 | 0 | 0 | 109.8 | R94 Q95 N100 D101 I105 | R94-I98 HydrophobicContact CG-CD1 4.14Å; R94-I98 WeakPolarHBondContact O-CD1 3.33Å; R94-I98 VanDerWaalsContact O-CG1 3.24Å; R94-I98 WeakPolarHBondContact O-CG1 3.48Å; R94-I98 PolarHBondContact O-N 3.35Å; Q95-I98 PolarHBondContact O-N 3.42Å; I98-N100 VanDerWaalsContact C-N 3.31Å; I98-N100 PolarHBondContact O-N 3.19Å; I98-D101 PolarHBondContact O-N 3.08Å; I98-I105 HydrophobicContact CG2-CD1 4.38Å; I98-I105 WeakPolarHBondContact O-CD1 3.06Å |
| 99 | L | 72.3 | Confident | 80.4 | Confident | 99 Ų | 99 | 81.6 Ų | 81.6 | 52% | 0.518 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.4 | -28.9 | -176.2 | -70.7 | 170 | 0 | 0 | 0 | 113.1 | Q95 L97 F102 | Q95-L99 VanDerWaalsContact O-CB 3.32Å; Q95-L99 WeakPolarHBondContact O-CB 3.25Å; Q95-L99 VanDerWaalsContact O-CG 3.3Å; Q95-L99 WeakPolarHBondContact O-CG 3.47Å; Q95-L99 PolarHBondContact O-N 3.36Å; L97-L99 PolarHBondContact O-N 3.33Å; L99-F102 VanDerWaalsContact O-CD2 3.31Å; L99-F102 WeakPolarHBondContact O-CD2 3.44Å; L99-F102 WeakPolarHBondContact O-CE1 3.45Å; L99-F102 WeakPolarHBondContact O-CE2 3.46Å; L99-F102 WeakPolarHBondContact O-CZ 3.31Å |
| 100 | N | 72.3 | Confident | 80.2 | Confident | 46 Ų | 46 | 86.2 Ų | 86.2 | 25% | 0.246 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -89.1 | -13.1 | -177.9 | -77.3 | -81.2 | 0 | 0 | 0 | 114.3 | K22 F96 L97 I98 F102 | K22-N100 WeakPolarHBondContact CE-OD1 3.31Å; K22-N100 PolarHBondContact NZ-OD1 3.3Å; F96-N100 WeakPolarHBondContact CD2-ND2 3.35Å; F96-N100 WeakPolarHBondContact CE2-ND2 3.29Å; F96-N100 WeakPolarHBondContact CG-ND2 3.38Å; F96-N100 WeakPolarHBondContact O-CB 3.38Å; F96-N100 PolarHBondContact O-N 3.43Å; F96-N100 PolarHBondContact O-ND2 3.4Å; L97-N100 PolarHBondContact O-N 3.42Å; I98-N100 VanDerWaalsContact C-N 3.31Å; I98-N100 PolarHBondContact O-N 3.19Å; N100-F102 PolarHBondContact O-N 2.92Å |
| 101 | D | 77.4 | Confident | 80 | Confident | 81 Ų | 81 | 88.5 Ų | 88.5 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | trans | -79.4 | 56 | 169 | -158.3 | -10.3 | 0 | 0 | 0 | 111.1 | L97 I98 A103 F104 I105 | L97-D101 PolarHBondContact O-N 2.87Å; L97-D101 VanDerWaalsContact O-N 3.09Å; I98-D101 PolarHBondContact O-N 3.08Å; D101-A103 PolarHBondContact O-N 3.48Å; D101-F104 HydrophobicContact CB-CB 4.25Å; D101-F104 PolarHBondContact O-N 3.29Å; D101-F104 WeakPolarHBondContact OD1-CB 3.39Å; D101-F104 PolarHBondContact OD1-N 2.94Å; D101-F104 VanDerWaalsContact OD1-N 3.11Å; D101-F104 WeakPolarHBondContact OD2-CB 3.3Å; D101-I105 WeakPolarHBondContact O-CG1 3.15Å; D101-I105 PolarHBondContact O-N 2.89Å | ||
| 102 | F | 71.3 | Confident | 79.6 | Confident | 109 Ų | 109 | 89.5 Ų | 89.5 | 48% | 0.478 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.3 | -28.8 | 178.8 | -73 | -74.4 | 0 | 0 | 0 | 111.9 | L99 N100 N106 | L99-F102 VanDerWaalsContact O-CD2 3.31Å; L99-F102 WeakPolarHBondContact O-CD2 3.44Å; L99-F102 WeakPolarHBondContact O-CE1 3.45Å; L99-F102 WeakPolarHBondContact O-CE2 3.46Å; L99-F102 WeakPolarHBondContact O-CZ 3.31Å; N100-F102 PolarHBondContact O-N 2.92Å; F102-N106 WeakPolarHBondContact O-CB 3.28Å; F102-N106 PolarHBondContact O-N 3.34Å; F102-N106 PolarHBondContact O-ND2 2.96Å; F102-N106 VanDerWaalsContact O-ND2 3.13Å |
| 103 | A | 75.1 | Confident | 79.5 | Confident | 72 Ų | 72 | 90.8 Ų | 90.8 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.4 | -51.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | D101 N106 E107 | D101-A103 PolarHBondContact O-N 3.48Å; A103-N106 PolarHBondContact O-N 2.95Å; A103-E107 VanDerWaalsContact O-CB 3.3Å; A103-E107 WeakPolarHBondContact O-CB 3.31Å; A103-E107 PolarHBondContact O-N 3.2Å |
| 104 | F | 76.5 | Confident | 79.5 | Confident | 131 Ų | 131 | 89.9 Ų | 89.9 | 58% | 0.575 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.4 | -45.3 | 176 | 178 | -101.3 | 0 | 0 | 0 | 112.4 | D101 N106 E107 A108 | D101-F104 HydrophobicContact CB-CB 4.25Å; D101-F104 PolarHBondContact O-N 3.29Å; D101-F104 WeakPolarHBondContact OD1-CB 3.39Å; D101-F104 PolarHBondContact OD1-N 2.94Å; D101-F104 VanDerWaalsContact OD1-N 3.11Å; D101-F104 WeakPolarHBondContact OD2-CB 3.3Å; F104-N106 PolarHBondContact O-N 3.11Å; F104-E107 PolarHBondContact O-N 3.46Å; F104-A108 VanDerWaalsContact O-CB 3.29Å; F104-A108 WeakPolarHBondContact O-CB 3.45Å; F104-A108 PolarHBondContact O-N 2.85Å |
| 105 | I | 75.8 | Confident | 79.6 | Confident | 56 Ų | 56 | 86 Ų | 86 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 177.8 | -70.8 | 178.2 | 0 | 0 | 0 | 110.4 | I98 D101 E107 A108 V109 | I98-I105 HydrophobicContact CG2-CD1 4.38Å; I98-I105 WeakPolarHBondContact O-CD1 3.06Å; D101-I105 WeakPolarHBondContact O-CG1 3.15Å; D101-I105 PolarHBondContact O-N 2.89Å; I105-E107 VanDerWaalsContact C-N 3.33Å; I105-E107 PolarHBondContact O-N 3.27Å; I105-A108 PolarHBondContact O-N 3.37Å; I105-V109 HydrophobicContact CG2-CG2 4.15Å; I105-V109 VanDerWaalsContact O-CB 3.3Å; I105-V109 WeakPolarHBondContact O-CB 3.41Å; I105-V109 WeakPolarHBondContact O-CG2 3.47Å; I105-V109 PolarHBondContact O-N 2.92Å |
| 106 | N | 81.4 | Confident | 79.4 | Confident | 94 Ų | 94 | 82 Ų | 82 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 179.3 | -75.4 | -25 | 0 | 0 | 0 | 111.2 | F102 A103 F104 V109 T110 | F102-N106 WeakPolarHBondContact O-CB 3.28Å; F102-N106 PolarHBondContact O-N 3.34Å; F102-N106 PolarHBondContact O-ND2 2.96Å; F102-N106 VanDerWaalsContact O-ND2 3.13Å; A103-N106 PolarHBondContact O-N 2.95Å; F104-N106 PolarHBondContact O-N 3.11Å; N106-V109 PolarHBondContact O-N 3.35Å; N106-T110 WeakPolarHBondContact O-CB 3.42Å; N106-T110 PolarHBondContact O-N 2.87Å; N106-T110 PolarHBondContact O-OG1 2.93Å |
| 107 | E | 83.7 | Confident | 79.5 | Confident | 133 Ų | 133 | 86.6 Ų | 86.6 | 62% | 0.621 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.4 | -47.8 | 175.8 | -172 | 172.8 | -169.3 | 0 | 0 | 111.3 | A103 F104 I105 V109 T110 F111 | A103-E107 VanDerWaalsContact O-CB 3.3Å; A103-E107 WeakPolarHBondContact O-CB 3.31Å; A103-E107 PolarHBondContact O-N 3.2Å; F104-E107 PolarHBondContact O-N 3.46Å; I105-E107 VanDerWaalsContact C-N 3.33Å; I105-E107 PolarHBondContact O-N 3.27Å; E107-V109 PolarHBondContact O-N 3.45Å; E107-T110 PolarHBondContact O-N 3.35Å; E107-F111 VanDerWaalsContact O-CB 3.26Å; E107-F111 WeakPolarHBondContact O-CB 3.41Å; E107-F111 PolarHBondContact O-N 3.24Å |
| 108 | A | 79.9 | Confident | 79.9 | Confident | 38 Ų | 38 | 85.6 Ų | 85.6 | 31% | 0.314 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | F104 I105 T112 | F104-A108 VanDerWaalsContact O-CB 3.29Å; F104-A108 WeakPolarHBondContact O-CB 3.45Å; F104-A108 PolarHBondContact O-N 2.85Å; I105-A108 PolarHBondContact O-N 3.37Å; A108-T112 VanDerWaalsContact O-CB 3.29Å; A108-T112 WeakPolarHBondContact O-CB 3.5Å; A108-T112 PolarHBondContact O-N 3.24Å; A108-T112 PolarHBondContact O-OG1 3.29Å |
| 109 | V | 84.3 | Confident | 80.2 | Confident | 88 Ų | 88 | 81.9 Ų | 81.9 | 53% | 0.533 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 175.3 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | I105 N106 E107 T112 S113 | I105-V109 HydrophobicContact CG2-CG2 4.15Å; I105-V109 VanDerWaalsContact O-CB 3.3Å; I105-V109 WeakPolarHBondContact O-CB 3.41Å; I105-V109 WeakPolarHBondContact O-CG2 3.47Å; I105-V109 PolarHBondContact O-N 2.92Å; N106-V109 PolarHBondContact O-N 3.35Å; E107-V109 PolarHBondContact O-N 3.45Å; V109-T112 PolarHBondContact O-N 3.07Å; V109-S113 WeakPolarHBondContact O-CB 3.47Å; V109-S113 PolarHBondContact O-N 2.91Å |
| 110 | T | 86.8 | Confident | 80.5 | Confident | 98 Ų | 98 | 82.5 Ų | 82.5 | 60% | 0.601 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 179.4 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | N106 E107 S113 G114 | N106-T110 WeakPolarHBondContact O-CB 3.42Å; N106-T110 PolarHBondContact O-N 2.87Å; N106-T110 PolarHBondContact O-OG1 2.93Å; E107-T110 PolarHBondContact O-N 3.35Å; T110-S113 PolarHBondContact O-N 3.21Å; T110-G114 PolarHBondContact O-N 3.4Å |
| 111 | F | 84.5 | Confident | 81.2 | Confident | 138 Ų | 138 | 86.6 Ų | 86.6 | 61% | 0.605 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.5 | -50.6 | 174.8 | 176.9 | -98.6 | 0 | 0 | 0 | 111.6 | E107 S113 G114 Q115 | E107-F111 VanDerWaalsContact O-CB 3.26Å; E107-F111 WeakPolarHBondContact O-CB 3.41Å; E107-F111 PolarHBondContact O-N 3.24Å; F111-S113 VanDerWaalsContact C-N 3.32Å; F111-S113 PolarHBondContact O-N 3.12Å; F111-G114 PolarHBondContact O-N 3.2Å; F111-Q115 HydrophobicContact CE1-CG 4.06Å; F111-Q115 HydrophobicContact CE2-CG 4.37Å; F111-Q115 HydrophobicContact CZ-CG 3.99Å; F111-Q115 PolarHBondContact O-N 2.89Å |
| 112 | T | 78.8 | Confident | 81.6 | Confident | 79 Ų | 79 | 88.1 Ų | 88.1 | 49% | 0.485 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 179.6 | -53 | 0 | 0 | 0 | 0 | 111.5 | A108 V109 Q115 C116 | A108-T112 VanDerWaalsContact O-CB 3.29Å; A108-T112 WeakPolarHBondContact O-CB 3.5Å; A108-T112 PolarHBondContact O-N 3.24Å; A108-T112 PolarHBondContact O-OG1 3.29Å; V109-T112 PolarHBondContact O-N 3.07Å; T112-Q115 PolarHBondContact O-N 2.99Å; T112-C116 VanDerWaalsContact O-CB 3.3Å; T112-C116 WeakPolarHBondContact O-CB 3.32Å; T112-C116 PolarHBondContact O-N 3.39Å |
| 113 | S | 84.5 | Confident | 82 | Confident | 57 Ų | 57 | 88 Ų | 88 | 40% | 0.399 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 174.6 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | V109 T110 F111 C116 Q117 | V109-S113 WeakPolarHBondContact O-CB 3.47Å; V109-S113 PolarHBondContact O-N 2.91Å; T110-S113 PolarHBondContact O-N 3.21Å; F111-S113 VanDerWaalsContact C-N 3.32Å; F111-S113 PolarHBondContact O-N 3.12Å; S113-C116 WeakPolarHBondContact O-CB 3.29Å; S113-C116 PolarHBondContact O-N 3.42Å; S113-Q117 WeakPolarHBondContact O-CG 3.48Å; S113-Q117 PolarHBondContact O-N 2.98Å |
| 114 | G | 87.3 | Confident | 82.3 | Confident | 26 Ų | 26 | 88.9 Ų | 88.9 | 27% | 0.268 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T110 F111 C116 Q117 L118 | T110-G114 PolarHBondContact O-N 3.4Å; F111-G114 PolarHBondContact O-N 3.2Å; G114-C116 VanDerWaalsContact C-N 3.32Å; G114-C116 PolarHBondContact O-N 3.3Å; G114-Q117 PolarHBondContact O-N 2.75Å; G114-L118 WeakPolarHBondContact O-CG 3.36Å; G114-L118 PolarHBondContact O-N 2.94Å |
| 115 | Q | 82.8 | Confident | 82.9 | Confident | 103 Ų | 103 | 86.9 Ų | 86.9 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 175 | -72.2 | -68.9 | 81 | 0 | 0 | 112.4 | F111 T112 L118 S119 | F111-Q115 HydrophobicContact CE1-CG 4.06Å; F111-Q115 HydrophobicContact CE2-CG 4.37Å; F111-Q115 HydrophobicContact CZ-CG 3.99Å; F111-Q115 PolarHBondContact O-N 2.89Å; T112-Q115 PolarHBondContact O-N 2.99Å; Q115-L118 PolarHBondContact O-N 3.12Å; Q115-S119 WeakPolarHBondContact O-CB 3.43Å; Q115-S119 PolarHBondContact O-N 3.45Å |
| 116 | C | 77.5 | Confident | 83.3 | Confident | 31 Ų | 31 | 90.7 Ų | 90.7 | 21% | 0.209 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.2 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | T112 S113 G114 Q120 Q267 | T112-C116 VanDerWaalsContact O-CB 3.3Å; T112-C116 WeakPolarHBondContact O-CB 3.32Å; T112-C116 PolarHBondContact O-N 3.39Å; S113-C116 WeakPolarHBondContact O-CB 3.29Å; S113-C116 PolarHBondContact O-N 3.42Å; G114-C116 VanDerWaalsContact C-N 3.32Å; G114-C116 PolarHBondContact O-N 3.3Å; C116-Q120 VanDerWaalsContact O-CB 3.23Å; C116-Q120 WeakPolarHBondContact O-CB 3.32Å; C116-Q120 PolarHBondContact O-N 3.02Å; C116-Q267 PolarHBondContact SG-NE2 3.06Å |
| 117 | Q | 85 | Confident | 83.6 | Confident | 125 Ų | 125 | 91.7 Ų | 91.7 | 58% | 0.584 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67 | -41.4 | 176.8 | -74.4 | 175.6 | -4.2 | 0 | 0 | 112 | S113 G114 Q120 K121 | S113-Q117 WeakPolarHBondContact O-CG 3.48Å; S113-Q117 PolarHBondContact O-N 2.98Å; G114-Q117 PolarHBondContact O-N 2.75Å; Q117-Q120 PolarHBondContact O-N 2.95Å; Q117-K121 WeakPolarHBondContact O-CB 3.47Å; Q117-K121 PolarHBondContact O-N 3.09Å |
| 118 | L | 87 | Confident | 83.6 | Confident | 97 Ų | 97 | 87.6 Ų | 87.6 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.1 | -51.1 | 175.2 | -75.7 | 169.8 | 0 | 0 | 0 | 111.3 | G114 Q115 Q120 K121 E122 | G114-L118 WeakPolarHBondContact O-CG 3.36Å; G114-L118 PolarHBondContact O-N 2.94Å; Q115-L118 PolarHBondContact O-N 3.12Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 3.29Å; L118-K121 WeakPolarHBondContact O-CB 3.37Å; L118-K121 PolarHBondContact O-N 3.38Å; L118-K121 VanDerWaalsContact O-N 3.11Å; L118-E122 PolarHBondContact O-N 3.04Å |
| 119 | S | 80.1 | Confident | 84.2 | Confident | 19 Ų | 19 | 89 Ų | 89 | 13% | 0.133 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.7 | -35.9 | 178.5 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | Q115 E122 M123 | Q115-S119 WeakPolarHBondContact O-CB 3.43Å; Q115-S119 PolarHBondContact O-N 3.45Å; S119-E122 PolarHBondContact O-N 2.77Å; S119-M123 WeakPolarHBondContact O-CB 3.45Å; S119-M123 WeakPolarHBondContact O-CG 3.35Å; S119-M123 PolarHBondContact O-N 3.04Å |
| 120 | Q | 79 | Confident | 84.4 | Confident | 111 Ų | 111 | 89 Ų | 89 | 52% | 0.519 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 173.2 | -176.7 | 177 | 10.4 | 0 | 0 | 111.8 | C116 Q117 L118 M123 N124 | C116-Q120 VanDerWaalsContact O-CB 3.23Å; C116-Q120 WeakPolarHBondContact O-CB 3.32Å; C116-Q120 PolarHBondContact O-N 3.02Å; Q117-Q120 PolarHBondContact O-N 2.95Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 3.29Å; Q120-M123 PolarHBondContact O-N 3Å; Q120-N124 WeakPolarHBondContact O-CB 3.32Å; Q120-N124 VanDerWaalsContact O-CG 3.29Å; Q120-N124 PolarHBondContact O-N 2.9Å |
| 121 | K | 86 | Confident | 84.5 | Confident | 132 Ų | 132 | 91.7 Ų | 91.7 | 57% | 0.574 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.2 | -48.2 | 176.3 | -170.5 | -177.2 | 176.4 | -173.5 | 0 | 110.9 | Q117 L118 M123 N124 D125 | Q117-K121 WeakPolarHBondContact O-CB 3.47Å; Q117-K121 PolarHBondContact O-N 3.09Å; L118-K121 WeakPolarHBondContact O-CB 3.37Å; L118-K121 PolarHBondContact O-N 3.38Å; L118-K121 VanDerWaalsContact O-N 3.11Å; K121-M123 VanDerWaalsContact C-N 3.3Å; K121-M123 PolarHBondContact O-N 3.34Å; K121-N124 PolarHBondContact O-N 2.89Å; K121-N124 VanDerWaalsContact O-N 3.13Å; K121-D125 VanDerWaalsContact O-CG 3.25Å; K121-D125 PolarHBondContact O-N 3.33Å |
| 122 | E | 85.8 | Confident | 84.8 | Confident | 114 Ų | 114 | 91.8 Ų | 91.8 | 53% | 0.533 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 175.6 | -72.4 | 178.4 | 168.5 | 0 | 0 | 112.6 | L118 S119 K126 | L118-E122 PolarHBondContact O-N 3.04Å; S119-E122 PolarHBondContact O-N 2.77Å; E122-K126 WeakPolarHBondContact O-CG 3.39Å; E122-K126 PolarHBondContact O-N 3.43Å; E122-K126 VanDerWaalsContact O-N 3.09Å |
| 123 | M | 79.6 | Confident | 85.3 | Confident | 105 Ų | 105 | 93.6 Ų | 93.6 | 52% | 0.517 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 175 | -77.7 | -176.2 | 177.4 | 0 | 0 | 111.7 | S119 Q120 K121 D125 K126 L127 | S119-M123 WeakPolarHBondContact O-CB 3.45Å; S119-M123 WeakPolarHBondContact O-CG 3.35Å; S119-M123 PolarHBondContact O-N 3.04Å; Q120-M123 PolarHBondContact O-N 3Å; K121-M123 VanDerWaalsContact C-N 3.3Å; K121-M123 PolarHBondContact O-N 3.34Å; M123-D125 VanDerWaalsContact C-N 3.33Å; M123-D125 PolarHBondContact O-N 3Å; M123-K126 PolarHBondContact O-N 3.2Å; M123-L127 VanDerWaalsContact O-CB 3.31Å; M123-L127 WeakPolarHBondContact O-CB 3.39Å; M123-L127 PolarHBondContact O-N 3.46Å |
| 124 | N | 82.1 | Confident | 85.6 | Confident | 91 Ų | 91 | 95.5 Ų | 95.5 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 178.1 | -76 | -13 | 0 | 0 | 0 | 112 | Q120 K121 L127 A128 | Q120-N124 WeakPolarHBondContact O-CB 3.32Å; Q120-N124 VanDerWaalsContact O-CG 3.29Å; Q120-N124 PolarHBondContact O-N 2.9Å; K121-N124 PolarHBondContact O-N 2.89Å; K121-N124 VanDerWaalsContact O-N 3.13Å; N124-L127 PolarHBondContact O-N 2.83Å; N124-A128 WeakPolarHBondContact O-CB 3.41Å; N124-A128 PolarHBondContact O-N 3.37Å |
| 125 | D | 88.2 | Confident | 85.6 | Confident | 90 Ų | 90 | 97.5 Ų | 97.5 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 177.5 | -67.3 | -16.6 | 0 | 0 | 0 | 110.2 | K121 M123 L127 A128 T129 | K121-D125 VanDerWaalsContact O-CG 3.25Å; K121-D125 PolarHBondContact O-N 3.33Å; M123-D125 VanDerWaalsContact C-N 3.33Å; M123-D125 PolarHBondContact O-N 3Å; D125-L127 VanDerWaalsContact C-N 3.31Å; D125-L127 PolarHBondContact O-N 3.38Å; D125-A128 WeakPolarHBondContact O-CB 3.41Å; D125-A128 PolarHBondContact O-N 3.4Å; D125-T129 PolarHBondContact O-N 2.93Å; D125-T129 PolarHBondContact O-OG1 3.45Å; D125-T129 VanDerWaalsContact O-OG1 3.13Å |
| 126 | K | 86.1 | Confident | 85.8 | Confident | 136 Ų | 136 | 98.1 Ų | 98.1 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.3 | -40 | 173.7 | -71.8 | 174.6 | -177.4 | 178.6 | 0 | 112.6 | E122 M123 A128 T129 I130 | E122-K126 WeakPolarHBondContact O-CG 3.39Å; E122-K126 PolarHBondContact O-N 3.43Å; E122-K126 VanDerWaalsContact O-N 3.09Å; M123-K126 PolarHBondContact O-N 3.2Å; K126-A128 VanDerWaalsContact C-N 3.32Å; K126-T129 PolarHBondContact O-N 3.16Å; K126-I130 WeakPolarHBondContact O-CG1 3.49Å; K126-I130 PolarHBondContact O-N 3.28Å |
| 127 | L | 86 | Confident | 86.3 | Confident | 115 Ų | 115 | 100.2 Ų | 100.2 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.9 | -34.5 | 179.9 | -147.1 | 151.8 | 0 | 0 | 0 | 110.9 | M123 N124 D125 K131 | M123-L127 VanDerWaalsContact O-CB 3.31Å; M123-L127 WeakPolarHBondContact O-CB 3.39Å; M123-L127 PolarHBondContact O-N 3.46Å; N124-L127 PolarHBondContact O-N 2.83Å; D125-L127 VanDerWaalsContact C-N 3.31Å; D125-L127 PolarHBondContact O-N 3.38Å; L127-K131 VanDerWaalsContact O-CB 3.28Å; L127-K131 WeakPolarHBondContact O-CB 3.28Å; L127-K131 PolarHBondContact O-N 2.88Å |
| 128 | A | 85.4 | Confident | 86.4 | Confident | 46 Ų | 46 | 99.7 Ų | 99.7 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N124 D125 K126 K131 E132 | N124-A128 WeakPolarHBondContact O-CB 3.41Å; N124-A128 PolarHBondContact O-N 3.37Å; D125-A128 WeakPolarHBondContact O-CB 3.41Å; D125-A128 PolarHBondContact O-N 3.4Å; K126-A128 VanDerWaalsContact C-N 3.32Å; A128-K131 WeakPolarHBondContact O-CB 3.43Å; A128-K131 PolarHBondContact O-N 2.98Å; A128-E132 WeakPolarHBondContact O-CG 3.17Å; A128-E132 PolarHBondContact O-N 2.95Å |
| 129 | T | 90.5 | Very high | 86.3 | Confident | 67 Ų | 67 | 100.7 Ų | 100.7 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 175.3 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | D125 K126 K131 E132 E133 | D125-T129 PolarHBondContact O-N 2.93Å; D125-T129 PolarHBondContact O-OG1 3.45Å; D125-T129 VanDerWaalsContact O-OG1 3.13Å; K126-T129 PolarHBondContact O-N 3.16Å; T129-K131 VanDerWaalsContact C-N 3.27Å; T129-K131 PolarHBondContact O-N 3.23Å; T129-E132 WeakPolarHBondContact O-CB 3.37Å; T129-E132 PolarHBondContact O-N 3.21Å; T129-E132 VanDerWaalsContact O-N 3.12Å; T129-E133 WeakPolarHBondContact O-CG 3.36Å; T129-E133 PolarHBondContact O-N 3.13Å |
| 130 | I | 89.2 | Confident | 86.5 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 177.4 | -68.9 | 167.1 | 0 | 0 | 0 | 111 | K126 E132 E133 I134 | K126-I130 WeakPolarHBondContact O-CG1 3.49Å; K126-I130 PolarHBondContact O-N 3.28Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 2.73Å; I130-E133 PolarHBondContact O-N 3.48Å; I130-I134 HydrophobicContact CG2-CD1 3.68Å; I130-I134 HydrophobicContact CG2-CG1 4.25Å; I130-I134 WeakPolarHBondContact O-CB 3.47Å; I130-I134 VanDerWaalsContact O-CG1 3.28Å; I130-I134 WeakPolarHBondContact O-CG1 3.2Å; I130-I134 PolarHBondContact O-N 3.32Å |
| 131 | K | 89.5 | Confident | 86.7 | Confident | 153 Ų | 153 | 102 Ų | 102 | 67% | 0.665 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 176.3 | -178.6 | -167.8 | 171.1 | -165 | 0 | 111.4 | L127 A128 T129 S135 | L127-K131 VanDerWaalsContact O-CB 3.28Å; L127-K131 WeakPolarHBondContact O-CB 3.28Å; L127-K131 PolarHBondContact O-N 2.88Å; A128-K131 WeakPolarHBondContact O-CB 3.43Å; A128-K131 PolarHBondContact O-N 2.98Å; T129-K131 VanDerWaalsContact C-N 3.27Å; T129-K131 PolarHBondContact O-N 3.23Å; K131-S135 VanDerWaalsContact O-CB 3.31Å; K131-S135 WeakPolarHBondContact O-CB 3.35Å; K131-S135 PolarHBondContact O-N 3Å |
| 132 | E | 89.8 | Confident | 86.4 | Confident | 141 Ų | 141 | 100.8 Ų | 100.8 | 66% | 0.659 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 176 | -73 | 173.5 | -179.1 | 0 | 0 | 111.3 | A128 T129 I130 S135 F136 | A128-E132 WeakPolarHBondContact O-CG 3.17Å; A128-E132 PolarHBondContact O-N 2.95Å; T129-E132 WeakPolarHBondContact O-CB 3.37Å; T129-E132 PolarHBondContact O-N 3.21Å; T129-E132 VanDerWaalsContact O-N 3.12Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 2.73Å; E132-S135 PolarHBondContact O-N 3.49Å; E132-F136 WeakPolarHBondContact O-CB 3.42Å; E132-F136 PolarHBondContact O-N 3.28Å |
| 133 | E | 90.9 | Very high | 86.2 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 175.3 | -70.6 | 172.6 | -177.6 | 0 | 0 | 112 | T129 I130 S135 F136 C137 | T129-E133 WeakPolarHBondContact O-CG 3.36Å; T129-E133 PolarHBondContact O-N 3.13Å; I130-E133 PolarHBondContact O-N 3.48Å; E133-S135 VanDerWaalsContact C-N 3.34Å; E133-S135 PolarHBondContact O-N 3.21Å; E133-F136 WeakPolarHBondContact O-CB 3.48Å; E133-F136 PolarHBondContact O-N 3.35Å; E133-C137 PolarHBondContact O-N 3.33Å; E133-C137 PolarHBondContact O-SG 2.87Å; E133-C137 VanDerWaalsContact O-SG 3.35Å |
| 134 | I | 89.5 | Confident | 86 | Confident | 97 Ų | 97 | 103.5 Ų | 103.5 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 176.7 | -69.9 | 170.2 | 0 | 0 | 0 | 110.8 | I130 F136 C137 L138 | I130-I134 HydrophobicContact CG2-CD1 3.68Å; I130-I134 HydrophobicContact CG2-CG1 4.25Å; I130-I134 WeakPolarHBondContact O-CB 3.47Å; I130-I134 VanDerWaalsContact O-CG1 3.28Å; I130-I134 WeakPolarHBondContact O-CG1 3.2Å; I130-I134 PolarHBondContact O-N 3.32Å; I134-F136 VanDerWaalsContact C-N 3.28Å; I134-F136 PolarHBondContact O-N 3.49Å; I134-C137 PolarHBondContact O-N 2.99Å; I134-L138 HydrophobicContact CG2-CD1 3.86Å; I134-L138 HydrophobicContact CG2-CG 4.49Å; I134-L138 WeakPolarHBondContact O-CB 3.35Å; I134-L138 PolarHBondContact O-N 3.01Å |
| 135 | S | 87.2 | Confident | 85.5 | Confident | 69 Ų | 69 | 103.9 Ų | 103.9 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 177.4 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | K131 E132 E133 Q139 | K131-S135 VanDerWaalsContact O-CB 3.31Å; K131-S135 WeakPolarHBondContact O-CB 3.35Å; K131-S135 PolarHBondContact O-N 3Å; E132-S135 PolarHBondContact O-N 3.49Å; E133-S135 VanDerWaalsContact C-N 3.34Å; E133-S135 PolarHBondContact O-N 3.21Å; S135-Q139 WeakPolarHBondContact O-CB 3.2Å; S135-Q139 PolarHBondContact O-N 3.13Å |
| 136 | F | 88 | Confident | 84.7 | Confident | 116 Ų | 116 | 105.7 Ų | 105.7 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.9 | -50.2 | 175 | 178.4 | -96.6 | 0 | 0 | 0 | 111 | E132 E133 I134 L138 Q139 E140 | E132-F136 WeakPolarHBondContact O-CB 3.42Å; E132-F136 PolarHBondContact O-N 3.28Å; E133-F136 WeakPolarHBondContact O-CB 3.48Å; E133-F136 PolarHBondContact O-N 3.35Å; I134-F136 VanDerWaalsContact C-N 3.28Å; I134-F136 PolarHBondContact O-N 3.49Å; F136-L138 VanDerWaalsContact C-N 3.32Å; F136-L138 PolarHBondContact O-N 2.89Å; F136-Q139 WeakPolarHBondContact O-CB 3.5Å; F136-Q139 PolarHBondContact O-N 3.24Å; F136-Q139 VanDerWaalsContact O-N 3.11Å; F136-E140 HydrophobicContact CD1-CG 4.41Å; F136-E140 HydrophobicContact CE1-CG 3.95Å; F136-E140 WeakPolarHBondContact CE1-OE1 3.22Å; F136-E140 WeakPolarHBondContact CE1-OE2 3.45Å; F136-E140 HydrophobicContact CE2-CG 4.49Å; F136-E140 VanDerWaalsContact CZ-CD 3.49Å; F136-E140 HydrophobicContact CZ-CG 3.99Å; F136-E140 WeakPolarHBondContact CZ-OE1 3.39Å; F136-E140 PolarHBondContact O-N 3.47Å |
| 137 | C | 86.6 | Confident | 84.2 | Confident | 74 Ų | 74 | 103.7 Ų | 103.7 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 177.2 | -65.9 | 0 | 0 | 0 | 0 | 112.9 | E133 I134 Q139 E140 A141 | E133-C137 PolarHBondContact O-N 3.33Å; E133-C137 PolarHBondContact O-SG 2.87Å; E133-C137 VanDerWaalsContact O-SG 3.35Å; I134-C137 PolarHBondContact O-N 2.99Å; C137-Q139 VanDerWaalsContact C-N 3.34Å; C137-E140 PolarHBondContact O-N 3.12Å; C137-A141 WeakPolarHBondContact O-CB 3.45Å; C137-A141 PolarHBondContact O-N 2.95Å |
| 138 | L | 88.4 | Confident | 83.1 | Confident | 115 Ų | 115 | 101.3 Ų | 101.3 | 60% | 0.602 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 174.4 | -89.5 | 163 | 0 | 0 | 0 | 111.5 | I134 F136 A141 E142 | I134-L138 HydrophobicContact CG2-CD1 3.86Å; I134-L138 HydrophobicContact CG2-CG 4.49Å; I134-L138 WeakPolarHBondContact O-CB 3.35Å; I134-L138 PolarHBondContact O-N 3.01Å; F136-L138 VanDerWaalsContact C-N 3.32Å; F136-L138 PolarHBondContact O-N 2.89Å; L138-A141 PolarHBondContact O-N 3.37Å; L138-E142 VanDerWaalsContact O-CB 3.32Å; L138-E142 WeakPolarHBondContact O-CB 3.4Å; L138-E142 PolarHBondContact O-N 3.37Å |
| 139 | Q | 84.1 | Confident | 81.8 | Confident | 118 Ų | 118 | 102.8 Ų | 102.8 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.7 | -39.9 | 178.6 | -167.8 | 174.1 | 4.5 | 0 | 0 | 111.5 | S135 F136 C137 E142 Q143 | S135-Q139 WeakPolarHBondContact O-CB 3.2Å; S135-Q139 PolarHBondContact O-N 3.13Å; F136-Q139 WeakPolarHBondContact O-CB 3.5Å; F136-Q139 PolarHBondContact O-N 3.24Å; F136-Q139 VanDerWaalsContact O-N 3.11Å; C137-Q139 VanDerWaalsContact C-N 3.34Å; Q139-E142 PolarHBondContact O-N 2.93Å; Q139-Q143 WeakPolarHBondContact O-CB 3.27Å; Q139-Q143 PolarHBondContact O-N 3.12Å |
| 140 | E | 85.5 | Confident | 80.2 | Confident | 102 Ų | 102 | 104.4 Ų | 104.4 | 48% | 0.477 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 172 | -72 | -169.4 | 130.6 | 0 | 0 | 111.5 | F136 C137 E142 Q143 E144 | F136-E140 HydrophobicContact CD1-CG 4.41Å; F136-E140 HydrophobicContact CE1-CG 3.95Å; F136-E140 WeakPolarHBondContact CE1-OE1 3.22Å; F136-E140 WeakPolarHBondContact CE1-OE2 3.45Å; F136-E140 HydrophobicContact CE2-CG 4.49Å; F136-E140 VanDerWaalsContact CZ-CD 3.49Å; F136-E140 HydrophobicContact CZ-CG 3.99Å; F136-E140 WeakPolarHBondContact CZ-OE1 3.39Å; F136-E140 PolarHBondContact O-N 3.47Å; C137-E140 PolarHBondContact O-N 3.12Å; E140-E142 PolarHBondContact O-N 3.5Å; E140-Q143 PolarHBondContact O-N 2.95Å; E140-E144 PolarHBondContact O-N 3.21Å |
| 141 | A | 81.3 | Confident | 78.6 | Confident | 56 Ų | 56 | 104.3 Ų | 104.3 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C137 L138 E144 Y145 | C137-A141 WeakPolarHBondContact O-CB 3.45Å; C137-A141 PolarHBondContact O-N 2.95Å; L138-A141 PolarHBondContact O-N 3.37Å; A141-E144 PolarHBondContact O-N 2.93Å; A141-Y145 WeakPolarHBondContact O-CB 3.29Å; A141-Y145 PolarHBondContact O-N 3.48Å |
| 142 | E | 81.4 | Confident | 77.1 | Confident | 105 Ų | 105 | 103.3 Ų | 103.3 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 174.6 | -179 | 177.5 | -161.5 | 0 | 0 | 111.1 | L138 Q139 E140 Y145 Y146 | L138-E142 VanDerWaalsContact O-CB 3.32Å; L138-E142 WeakPolarHBondContact O-CB 3.4Å; L138-E142 PolarHBondContact O-N 3.37Å; Q139-E142 PolarHBondContact O-N 2.93Å; E140-E142 PolarHBondContact O-N 3.5Å; E142-Y145 WeakPolarHBondContact O-CB 3.5Å; E142-Y145 PolarHBondContact O-N 3.25Å; E142-Y146 HydrophobicContact CG-CD2 3.74Å; E142-Y146 HydrophobicContact CG-CE2 3.41Å; E142-Y146 VanDerWaalsContact CG-CE2 3.41Å; E142-Y146 WeakPolarHBondContact O-CD2 3.37Å; E142-Y146 PolarHBondContact O-N 3.09Å; E142-Y146 WeakPolarHBondContact OE1-CE2 3.37Å |
| 143 | Q | 80 | Confident | 75.5 | Confident | 136 Ų | 136 | 105.2 Ų | 105.2 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.4 | -38.7 | 178 | -167.5 | 161.5 | -6 | 0 | 0 | 111.9 | Q139 E140 Y146 S147 | Q139-Q143 WeakPolarHBondContact O-CB 3.27Å; Q139-Q143 PolarHBondContact O-N 3.12Å; E140-Q143 PolarHBondContact O-N 2.95Å; Q143-Y146 PolarHBondContact O-N 3.31Å; Q143-S147 WeakPolarHBondContact O-CB 3.4Å; Q143-S147 PolarHBondContact O-N 3.27Å; Q143-S147 PolarHBondContact O-OG 3.33Å |
| 144 | E | 77.1 | Confident | 74 | Confident | 140 Ų | 140 | 102.5 Ų | 102.5 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 170.7 | -78.5 | -159.7 | 162.3 | 0 | 0 | 111.9 | E140 A141 Y146 S147 T148 | E140-E144 PolarHBondContact O-N 3.21Å; A141-E144 PolarHBondContact O-N 2.93Å; E144-Y146 VanDerWaalsContact C-N 3.35Å; E144-Y146 PolarHBondContact O-N 2.89Å; E144-S147 WeakPolarHBondContact CA-OG 3.45Å; E144-S147 PolarHBondContact O-N 3.04Å; E144-S147 VanDerWaalsContact O-N 3.09Å; E144-S147 PolarHBondContact O-OG 2.85Å; E144-T148 PolarHBondContact O-N 2.98Å; E144-T148 VanDerWaalsContact O-N 3.07Å; E144-T148 PolarHBondContact O-OG1 3.3Å; E144-T148 VanDerWaalsContact O-OG1 3.05Å |
| 145 | Y | 71.3 | Confident | 72.7 | Confident | 99 Ų | 99 | 103 Ų | 103 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 175.1 | 175.5 | -99.3 | 0 | 0 | 0 | 112 | A141 E142 S147 T148 L150 | A141-Y145 WeakPolarHBondContact O-CB 3.29Å; A141-Y145 PolarHBondContact O-N 3.48Å; E142-Y145 WeakPolarHBondContact O-CB 3.5Å; E142-Y145 PolarHBondContact O-N 3.25Å; Y145-S147 VanDerWaalsContact C-N 3.29Å; Y145-S147 PolarHBondContact O-N 3.1Å; Y145-T148 PolarHBondContact O-N 3.28Å; Y145-T148 PolarHBondContact O-OG1 3.02Å; Y145-L150 HydrophobicContact CE2-CB 4.37Å |
| 146 | Y | 71.4 | Confident | 71.5 | Confident | 129 Ų | 129 | 107 Ų | 107 | 51% | 0.506 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72 | -21 | 176.9 | -73.7 | -59.1 | 0 | 0 | 0 | 114.2 | E142 Q143 E144 K151 | E142-Y146 HydrophobicContact CG-CD2 3.74Å; E142-Y146 HydrophobicContact CG-CE2 3.41Å; E142-Y146 VanDerWaalsContact CG-CE2 3.41Å; E142-Y146 WeakPolarHBondContact O-CD2 3.37Å; E142-Y146 PolarHBondContact O-N 3.09Å; E142-Y146 WeakPolarHBondContact OE1-CE2 3.37Å; Q143-Y146 PolarHBondContact O-N 3.31Å; E144-Y146 VanDerWaalsContact C-N 3.35Å; E144-Y146 PolarHBondContact O-N 2.89Å; Y146-K151 HydrophobicContact CD1-CD 4.11Å |
| 147 | S | 74.5 | Confident | 70.1 | Confident | 93 Ų | 93 | 103.8 Ų | 103.8 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -84.7 | -16.5 | 177 | 76.1 | 0 | 0 | 0 | 0 | 113.9 | Q143 E144 Y145 | Q143-S147 WeakPolarHBondContact O-CB 3.4Å; Q143-S147 PolarHBondContact O-N 3.27Å; Q143-S147 PolarHBondContact O-OG 3.33Å; E144-S147 WeakPolarHBondContact CA-OG 3.45Å; E144-S147 PolarHBondContact O-N 3.04Å; E144-S147 VanDerWaalsContact O-N 3.09Å; E144-S147 PolarHBondContact O-OG 2.85Å; Y145-S147 VanDerWaalsContact C-N 3.29Å; Y145-S147 PolarHBondContact O-N 3.1Å |
| 148 | T | 63.5 | Low | 69.1 | Low | 65 Ų | 65 | 103.6 Ų | 103.6 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -90.2 | 151.6 | 179.5 | 41.7 | 0 | 0 | 0 | 0 | 111.7 | E144 Y145 L150 K151 | E144-T148 PolarHBondContact O-N 2.98Å; E144-T148 VanDerWaalsContact O-N 3.07Å; E144-T148 PolarHBondContact O-OG1 3.3Å; E144-T148 VanDerWaalsContact O-OG1 3.05Å; Y145-T148 PolarHBondContact O-N 3.28Å; Y145-T148 PolarHBondContact O-OG1 3.02Å; T148-L150 PolarHBondContact O-N 3.29Å; T148-K151 PolarHBondContact O-N 3.46Å |
| 149 | A | 58.6 | Low | 67.9 | Low | 77 Ų | 77 | 103.5 Ų | 103.5 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -0.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K151 H152 Y153 | A149-K151 VanDerWaalsContact C-N 3.28Å; A149-K151 PolarHBondContact O-N 3.08Å; A149-H152 WeakPolarHBondContact O-CB 3.21Å; A149-H152 PolarHBondContact O-N 3.25Å; A149-Y153 PolarHBondContact O-N 2.78Å |
| 150 | L | 55.9 | Low | 66.9 | Low | 101 Ų | 101 | 105.5 Ų | 105.5 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.1 | -35.2 | 174.8 | -98.2 | 144.6 | 0 | 0 | 0 | 112.5 | Y145 T148 H152 Y153 V154 | Y145-L150 HydrophobicContact CE2-CB 4.37Å; T148-L150 PolarHBondContact O-N 3.29Å; L150-H152 VanDerWaalsContact C-N 3.29Å; L150-H152 PolarHBondContact O-N 3.46Å; L150-Y153 WeakPolarHBondContact O-CA 3.38Å; L150-Y153 VanDerWaalsContact O-CB 3.31Å; L150-Y153 WeakPolarHBondContact O-CB 3.45Å; L150-Y153 PolarHBondContact O-N 3.47Å; L150-V154 PolarHBondContact O-N 3.01Å |
| 151 | K | 55.3 | Low | 65.7 | Low | 89 Ų | 89 | 105.3 Ų | 105.3 | 39% | 0.387 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.8 | -42 | 174.2 | -172.9 | 180 | -172.6 | 166.7 | 0 | 112.3 | Y146 T148 A149 Y153 V154 D155 | Y146-K151 HydrophobicContact CD1-CD 4.11Å; T148-K151 PolarHBondContact O-N 3.46Å; A149-K151 VanDerWaalsContact C-N 3.28Å; A149-K151 PolarHBondContact O-N 3.08Å; K151-Y153 PolarHBondContact O-N 2.88Å; K151-V154 PolarHBondContact O-N 3.49Å; K151-V154 VanDerWaalsContact O-N 3.15Å; K151-D155 PolarHBondContact O-N 3.2Å |
| 152 | H | 58 | Low | 64.8 | Low | 131 Ų | 131 | 105 Ų | 105 | 61% | 0.606 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.1 | -27.6 | 176.5 | -77.5 | -72.1 | 0 | 0 | 0 | 112.5 | A149 L150 H156 | A149-H152 WeakPolarHBondContact O-CB 3.21Å; A149-H152 PolarHBondContact O-N 3.25Å; L150-H152 VanDerWaalsContact C-N 3.29Å; L150-H152 PolarHBondContact O-N 3.46Å; H152-H156 PolarHBondContact O-CD2 2.94Å |
| 153 | Y | 57.5 | Low | 63.7 | Low | 181 Ų | 181 | 106.8 Ų | 106.8 | 71% | 0.71 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74.4 | -38.4 | 175 | -137.2 | -90.7 | 0 | 0 | 0 | 111.7 | A149 L150 K151 H156 | A149-Y153 PolarHBondContact O-N 2.78Å; L150-Y153 WeakPolarHBondContact O-CA 3.38Å; L150-Y153 VanDerWaalsContact O-CB 3.31Å; L150-Y153 WeakPolarHBondContact O-CB 3.45Å; L150-Y153 PolarHBondContact O-N 3.47Å; K151-Y153 PolarHBondContact O-N 2.88Å; Y153-H156 PolarHBondContact O-N 3.49Å |
| 154 | V | 59.3 | Low | 62.8 | Low | 59 Ų | 59 | 103.5 Ų | 103.5 | 36% | 0.358 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.7 | -38.5 | 178.6 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | L150 K151 H156 L157 | L150-V154 PolarHBondContact O-N 3.01Å; K151-V154 PolarHBondContact O-N 3.49Å; K151-V154 VanDerWaalsContact O-N 3.15Å; V154-H156 PolarHBondContact O-N 2.89Å; V154-H156 VanDerWaalsContact O-N 3.11Å; V154-L157 HydrophobicContact CB-CD1 4.34Å; V154-L157 HydrophobicContact CG1-CD1 4.3Å; V154-L157 HydrophobicContact CG2-CD1 4.29Å; V154-L157 WeakPolarHBondContact O-CB 3.39Å; V154-L157 PolarHBondContact O-N 3.31Å |
| 155 | D | 62.1 | Low | 62 | Low | 108 Ų | 108 | 100.1 Ų | 100.1 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.9 | 176.1 | -70.7 | -22.1 | 0 | 0 | 0 | 113.1 | K151 | K151-D155 PolarHBondContact O-N 3.2Š|
| 156 | H | 61.2 | Low | 61.3 | Low | 154 Ų | 154 | 101 Ų | 101 | 71% | 0.713 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 0.3 | 175.5 | -68.6 | -38.2 | 0 | 0 | 0 | 114.1 | H152 Y153 V154 | H152-H156 PolarHBondContact O-CD2 2.94Å; Y153-H156 PolarHBondContact O-N 3.49Å; V154-H156 PolarHBondContact O-N 2.89Å; V154-H156 VanDerWaalsContact O-N 3.11Å |
| 157 | L | 59.8 | Low | 60.5 | Low | 47 Ų | 47 | 97.4 Ų | 97.4 | 25% | 0.246 | 53% | 0.528 | C | S | . | . | trans | -73.9 | 130.9 | 173.2 | -68.9 | 166.4 | 0 | 0 | 0 | 109.8 | V154 M161 | V154-L157 HydrophobicContact CB-CD1 4.34Å; V154-L157 HydrophobicContact CG1-CD1 4.3Å; V154-L157 HydrophobicContact CG2-CD1 4.29Å; V154-L157 WeakPolarHBondContact O-CB 3.39Å; V154-L157 PolarHBondContact O-N 3.31Å; L157-M161 HydrophobicContact CB-CB 4.27Å; L157-M161 HydrophobicContact CD2-CB 3.81Å; L157-M161 HydrophobicContact CD2-CE 3.56Å; L157-M161 HydrophobicContact CD2-SD 4.12Å | ||
| 158 | T | 64.2 | Low | 59.6 | Low | 71 Ų | 71 | 100.2 Ų | 100.2 | 44% | 0.436 | 53% | 0.531 | S | S | . | . | trans | -67.8 | 156.7 | 170.5 | 55.5 | 0 | 0 | 0 | 0 | 109.9 | E160 M161 S162 | T158-E160 PolarHBondContact O-N 3.03Å; T158-E160 VanDerWaalsContact O-N 3.1Å; T158-M161 PolarHBondContact O-N 3.07Å; T158-M161 WeakPolarHBondContact OG1-CG 3.46Å; T158-S162 PolarHBondContact O-N 3.46Å | ||
| 159 | P | 64.5 | Low | 59.2 | Low | 112 Ų | 112 | 105.5 Ų | 105.5 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -52.3 | -37.3 | -178.1 | -26.4 | 33.5 | 0 | 0 | 0 | 113.7 | S162 E163 | P159-S162 PolarHBondContact O-N 3.38Å; P159-E163 PolarHBondContact O-N 3.2Å; P159-E163 VanDerWaalsContact O-N 3.09Å |
| 160 | E | 61.9 | Low | 58.7 | Low | 161 Ų | 161 | 106.7 Ų | 106.7 | 75% | 0.752 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.4 | -35.2 | 177.6 | -65.8 | 174.1 | 165.1 | 0 | 0 | 112.8 | T158 S164 | T158-E160 PolarHBondContact O-N 3.03Å; T158-E160 VanDerWaalsContact O-N 3.1Å; E160-S164 PolarHBondContact O-N 3.29Å |
| 161 | M | 61.6 | Low | 58.4 | Low | 97 Ų | 97 | 110.3 Ų | 110.3 | 48% | 0.478 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.7 | -36.6 | 175.6 | -65.1 | 177.1 | 73.5 | 0 | 0 | 111.1 | L157 T158 S164 V165 | L157-M161 HydrophobicContact CB-CB 4.27Å; L157-M161 HydrophobicContact CD2-CB 3.81Å; L157-M161 HydrophobicContact CD2-CE 3.56Å; L157-M161 HydrophobicContact CD2-SD 4.12Å; T158-M161 PolarHBondContact O-N 3.07Å; T158-M161 WeakPolarHBondContact OG1-CG 3.46Å; M161-S164 PolarHBondContact O-N 2.93Å; M161-S164 PolarHBondContact O-OG 3.2Å; M161-V165 VanDerWaalsContact O-CG2 3.31Å; M161-V165 WeakPolarHBondContact O-CG2 3.42Å; M161-V165 PolarHBondContact O-N 2.81Å |
| 162 | S | 61.5 | Low | 58.3 | Low | 49 Ų | 49 | 109.1 Ų | 109.1 | 34% | 0.343 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -43.4 | 175.8 | -166.5 | 0 | 0 | 0 | 0 | 112.2 | T158 P159 S164 V165 E166 | T158-S162 PolarHBondContact O-N 3.46Å; P159-S162 PolarHBondContact O-N 3.38Å; S162-S164 VanDerWaalsContact C-N 3.33Å; S162-S164 PolarHBondContact O-N 3.25Å; S162-V165 PolarHBondContact O-N 3.42Å; S162-E166 WeakPolarHBondContact O-CB 3.39Å; S162-E166 PolarHBondContact O-N 2.83Å |
| 163 | E | 58.5 | Low | 58.3 | Low | 144 Ų | 144 | 108.3 Ų | 108.3 | 67% | 0.673 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.8 | -38.3 | 175.3 | -92.3 | -175 | 159.6 | 0 | 0 | 112.2 | P159 A167 | P159-E163 PolarHBondContact O-N 3.2Å; P159-E163 VanDerWaalsContact O-N 3.09Å; E163-A167 VanDerWaalsContact O-CB 3.24Å; E163-A167 WeakPolarHBondContact O-CB 3.31Å; E163-A167 PolarHBondContact O-N 3.38Å |
| 164 | S | 61.6 | Low | 58.7 | Low | 66 Ų | 66 | 106.8 Ų | 106.8 | 46% | 0.462 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.1 | -40 | 178 | 74.4 | 0 | 0 | 0 | 0 | 112.8 | E160 M161 S162 A167 E168 | E160-S164 PolarHBondContact O-N 3.29Å; M161-S164 PolarHBondContact O-N 2.93Å; M161-S164 PolarHBondContact O-OG 3.2Å; S162-S164 VanDerWaalsContact C-N 3.33Å; S162-S164 PolarHBondContact O-N 3.25Å; S164-A167 PolarHBondContact O-N 2.99Å; S164-E168 WeakPolarHBondContact O-CB 3.44Å; S164-E168 PolarHBondContact O-N 3.46Å |
| 165 | V | 60.2 | Low | 59.2 | Low | 70 Ų | 70 | 107.9 Ų | 107.9 | 42% | 0.424 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.3 | -39.7 | 179.2 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | M161 S162 E168 F169 | M161-V165 VanDerWaalsContact O-CG2 3.31Å; M161-V165 WeakPolarHBondContact O-CG2 3.42Å; M161-V165 PolarHBondContact O-N 2.81Å; S162-V165 PolarHBondContact O-N 3.42Å; V165-E168 PolarHBondContact O-N 2.88Å; V165-F169 VanDerWaalsContact O-CB 3.29Å; V165-F169 WeakPolarHBondContact O-CB 3.47Å; V165-F169 PolarHBondContact O-N 3.07Å |
| 166 | E | 56.3 | Low | 59.9 | Low | 118 Ų | 118 | 106 Ų | 106 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.7 | -42.8 | 171.1 | -88 | -171 | 147.6 | 0 | 0 | 111.6 | S162 E168 F169 L170 | S162-E166 WeakPolarHBondContact O-CB 3.39Å; S162-E166 PolarHBondContact O-N 2.83Å; E166-E168 PolarHBondContact O-N 3.49Å; E166-F169 PolarHBondContact O-N 2.97Å; E166-L170 HydrophobicContact CB-CD1 4.44Å; E166-L170 WeakPolarHBondContact O-CB 3.43Å; E166-L170 WeakPolarHBondContact O-CD1 3.44Å; E166-L170 WeakPolarHBondContact O-CG 3.48Å; E166-L170 PolarHBondContact O-N 3.42Å |
| 167 | A | 54.1 | Low | 60.9 | Low | 53 Ų | 53 | 99.1 Ų | 99.1 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E163 S164 L170 E171 | E163-A167 VanDerWaalsContact O-CB 3.24Å; E163-A167 WeakPolarHBondContact O-CB 3.31Å; E163-A167 PolarHBondContact O-N 3.38Å; S164-A167 PolarHBondContact O-N 2.99Å; A167-L170 PolarHBondContact O-N 3.28Å; A167-E171 WeakPolarHBondContact O-CB 3.4Å; A167-E171 PolarHBondContact O-N 2.81Å |
| 168 | E | 56.8 | Low | 62 | Low | 151 Ų | 151 | 102 Ų | 102 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.5 | -33.7 | 178.4 | -155.7 | 171.8 | -150.4 | 0 | 0 | 112.1 | S164 V165 E166 | S164-E168 WeakPolarHBondContact O-CB 3.44Å; S164-E168 PolarHBondContact O-N 3.46Å; V165-E168 PolarHBondContact O-N 2.88Å; E166-E168 PolarHBondContact O-N 3.49Å |
| 169 | F | 53.7 | Low | 63 | Low | 177 Ų | 177 | 103.6 Ų | 103.6 | 78% | 0.776 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.8 | -36.9 | 175.5 | -150 | -90.7 | 0 | 0 | 0 | 112.5 | V165 E166 G172 | V165-F169 VanDerWaalsContact O-CB 3.29Å; V165-F169 WeakPolarHBondContact O-CB 3.47Å; V165-F169 PolarHBondContact O-N 3.07Å; E166-F169 PolarHBondContact O-N 2.97Å; F169-G172 PolarHBondContact O-N 2.95Å |
| 170 | L | 48.1 | Very low | 64.1 | Low | 101 Ų | 101 | 100.3 Ų | 100.3 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.8 | -28.3 | 177.9 | -69 | 169.5 | 0 | 0 | 0 | 112.3 | E166 A167 G172 L173 | E166-L170 HydrophobicContact CB-CD1 4.44Å; E166-L170 WeakPolarHBondContact O-CB 3.43Å; E166-L170 WeakPolarHBondContact O-CD1 3.44Å; E166-L170 WeakPolarHBondContact O-CG 3.48Å; E166-L170 PolarHBondContact O-N 3.42Å; A167-L170 PolarHBondContact O-N 3.28Å; L170-G172 PolarHBondContact O-N 3.3Å; L170-G172 VanDerWaalsContact O-N 3.07Å; L170-L173 HydrophobicContact CB-CD1 4.4Å; L170-L173 HydrophobicContact CD2-CD1 3.24Å; L170-L173 HydrophobicContact CD2-CG 4.44Å; L170-L173 HydrophobicContact CG-CD1 4.39Å; L170-L173 PolarHBondContact O-N 3.15Å; L170-L173 VanDerWaalsContact O-N 3.12Å |
| 171 | E | 50.1 | Low | 65.5 | Low | 178 Ų | 178 | 93.3 Ų | 93.3 | 83% | 0.832 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -13.7 | 173.2 | -95.5 | -172.6 | 151.7 | 0 | 0 | 113.3 | A167 | A167-E171 WeakPolarHBondContact O-CB 3.4Å; A167-E171 PolarHBondContact O-N 2.81Å |
| 172 | G | 53.3 | Low | 66.7 | Low | 64 Ų | 64 | 95.5 Ų | 95.5 | 66% | 0.66 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 3.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | F169 L170 Y174 | F169-G172 PolarHBondContact O-N 2.95Å; L170-G172 PolarHBondContact O-N 3.3Å; L170-G172 VanDerWaalsContact O-N 3.07Å; G172-Y174 PolarHBondContact O-N 3.32Å; G172-Y174 VanDerWaalsContact O-N 3.13Å |
| 173 | L | 57.5 | Low | 68 | Low | 113 Ų | 113 | 95.5 Ų | 95.5 | 59% | 0.592 | 49% | 0.488 | S | S | * | . | trans | -61.2 | 119.5 | -175.8 | -102.6 | 157.6 | 0 | 0 | 0 | 111.6 | L170 V175 | L170-L173 HydrophobicContact CB-CD1 4.4Å; L170-L173 HydrophobicContact CD2-CD1 3.24Å; L170-L173 HydrophobicContact CD2-CG 4.44Å; L170-L173 HydrophobicContact CG-CD1 4.39Å; L170-L173 PolarHBondContact O-N 3.15Å; L170-L173 VanDerWaalsContact O-N 3.12Å; L173-V175 PolarHBondContact O-N 2.96Å | ||
| 174 | Y | 66.5 | Low | 69.4 | Low | 150 Ų | 150 | 88.8 Ų | 88.8 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | trans | -54 | 107.7 | 177 | 174 | -96.4 | 0 | 0 | 0 | 110.6 | G172 D176 P177 E215 | G172-Y174 PolarHBondContact O-N 3.32Å; G172-Y174 VanDerWaalsContact O-N 3.13Å; Y174-D176 PolarHBondContact O-N 3.09Å; Y174-P177 WeakPolarHBondContact OH-CD 3.01Å; Y174-E215 WeakPolarHBondContact CE2-OE1 3.48Å; Y174-E215 PolarHBondContact OH-OE2 2.81Å | ||
| 175 | V | 69.4 | Low | 70.7 | Confident | 82 Ų | 82 | 88.3 Ų | 88.3 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | trans | -83.5 | 115.7 | 174 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | L173 P177 R211 | L173-V175 PolarHBondContact O-N 2.96Å; V175-P177 WeakPolarHBondContact O-CD 3.43Å; V175-P177 VanDerWaalsContact O-N 3.15Å; V175-R211 PolarHBondContact O-NH1 2.92Å; V175-R211 PolarHBondContact O-NH2 2.73Å | ||
| 176 | D | 77.1 | Confident | 71.9 | Confident | 68 Ų | 68 | 87.2 Ų | 87.2 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | trans | -49.4 | 120 | 176.2 | 175.3 | 5 | 0 | 0 | 0 | 110.9 | Y174 W178 Q179 T180 | Y174-D176 PolarHBondContact O-N 3.09Å; D176-W178 PolarHBondContact O-N 3.36Å; D176-W178 VanDerWaalsContact O-N 3.09Å; D176-W178 VanDerWaalsContact OD1-CB 3.29Å; D176-W178 WeakPolarHBondContact OD1-CB 3.16Å; D176-W178 PolarHBondContact OD1-N 2.92Å; D176-Q179 HydrophobicContact CB-CB 4.34Å; D176-Q179 HydrophobicContact CB-CG 3.93Å; D176-Q179 WeakPolarHBondContact O-CB 3.42Å; D176-Q179 PolarHBondContact O-N 3.28Å; D176-T180 PolarHBondContact O-N 2.94Å | ||
| 177 | P | 82.1 | Confident | 73.3 | Confident | 10 Ų | 10 | 86.8 Ų | 86.8 | 7% | 0.065 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -52.2 | -31.3 | 176.6 | -24.8 | 30.8 | 0 | 0 | 0 | 112.9 | Y174 V175 T180 F181 L208 L212 E215 | Y174-P177 WeakPolarHBondContact OH-CD 3.01Å; V175-P177 WeakPolarHBondContact O-CD 3.43Å; V175-P177 VanDerWaalsContact O-N 3.15Å; P177-T180 WeakPolarHBondContact O-CB 3.47Å; P177-T180 PolarHBondContact O-N 3.39Å; P177-F181 PolarHBondContact O-N 3.03Å; P177-L208 HydrophobicContact CB-CD1 3.93Å; P177-L212 HydrophobicContact CB-CD2 3.62Å; P177-L212 HydrophobicContact CB-CG 4.28Å; P177-L212 HydrophobicContact CG-CD2 4.01Å; P177-E215 WeakPolarHBondContact CG-OE2 3.38Å |
| 178 | W | 82.6 | Confident | 74.5 | Confident | 107 Ų | 107 | 86.3 Ų | 86.3 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.1 | -37 | 177.1 | -175.8 | -120 | 0 | 0 | 0 | 112.8 | D176 T180 F181 R182 L223 | D176-W178 PolarHBondContact O-N 3.36Å; D176-W178 VanDerWaalsContact O-N 3.09Å; D176-W178 VanDerWaalsContact OD1-CB 3.29Å; D176-W178 WeakPolarHBondContact OD1-CB 3.16Å; D176-W178 PolarHBondContact OD1-N 2.92Å; W178-T180 VanDerWaalsContact C-N 3.31Å; W178-F181 HydrophobicContact CE3-CB 4.09Å; W178-F181 AromaticContact CE3-CD1 3.87Å; W178-F181 HydrophobicContact CE3-CD1 3.87Å; W178-F181 HydrophobicContact CE3-CG 4.1Å; W178-F181 AromaticContact CH2-CD1 3.93Å; W178-F181 HydrophobicContact CH2-CD1 3.93Å; W178-F181 HydrophobicContact CH2-CE1 4.04Å; W178-F181 HydrophobicContact CZ3-CB 4.48Å; W178-F181 AromaticContact CZ3-CD1 3.45Å; W178-F181 HydrophobicContact CZ3-CD1 3.45Å; W178-F181 VanDerWaalsContact CZ3-CD1 3.45Å; W178-F181 AromaticContact CZ3-CE1 3.81Å; W178-F181 HydrophobicContact CZ3-CE1 3.81Å; W178-F181 AromaticContact CZ3-CG 3.99Å; W178-F181 HydrophobicContact CZ3-CG 3.99Å; W178-F181 WeakPolarHBondContact O-CB 3.47Å; W178-F181 PolarHBondContact O-N 3.32Å; W178-R182 HydrophobicContact CD2-CG 4.38Å; W178-R182 HydrophobicContact CZ2-CG 4.32Å; W178-R182 WeakPolarHBondContact O-CG 3.26Å; W178-R182 PolarHBondContact O-N 2.92Å; W178-L223 HydrophobicContact CZ3-CD2 4.13Å |
| 179 | Q | 85.3 | Confident | 75.3 | Confident | 105 Ų | 105 | 87.2 Ų | 87.2 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 172.9 | -66.5 | -66.9 | -6 | 0 | 0 | 110.8 | D176 F181 R182 S183 | D176-Q179 HydrophobicContact CB-CB 4.34Å; D176-Q179 HydrophobicContact CB-CG 3.93Å; D176-Q179 WeakPolarHBondContact O-CB 3.42Å; D176-Q179 PolarHBondContact O-N 3.28Å; Q179-F181 PolarHBondContact O-N 2.6Å; Q179-R182 PolarHBondContact O-N 3.17Å; Q179-S183 WeakPolarHBondContact O-CB 3.48Å; Q179-S183 PolarHBondContact O-N 3.02Å |
| 180 | T | 88.3 | Confident | 75.5 | Confident | 42 Ų | 42 | 87.3 Ų | 87.3 | 26% | 0.258 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.2 | -50.9 | 172.8 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | D176 P177 W178 R182 S183 I184 L208 | D176-T180 PolarHBondContact O-N 2.94Å; P177-T180 WeakPolarHBondContact O-CB 3.47Å; P177-T180 PolarHBondContact O-N 3.39Å; W178-T180 VanDerWaalsContact C-N 3.31Å; T180-R182 PolarHBondContact O-N 3.43Å; T180-S183 PolarHBondContact O-N 3.37Å; T180-S183 PolarHBondContact O-OG 3.25Å; T180-I184 HydrophobicContact CG2-CD1 4.26Å; T180-I184 WeakPolarHBondContact O-CG1 3.31Å; T180-I184 PolarHBondContact O-N 2.88Å; T180-L208 HydrophobicContact CG2-CD1 4.12Å |
| 181 | F | 90.1 | Very high | 76 | Confident | 15 Ų | 15 | 90.3 Ų | 90.3 | 7% | 0.066 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -54.7 | -49.5 | 176.2 | -176.4 | -89.4 | 0 | 0 | 0 | 112.8 | P177 W178 Q179 S183 I184 H185 Y205 L208 L223 Y227 | P177-F181 PolarHBondContact O-N 3.03Å; W178-F181 HydrophobicContact CE3-CB 4.09Å; W178-F181 AromaticContact CE3-CD1 3.87Å; W178-F181 HydrophobicContact CE3-CD1 3.87Å; W178-F181 HydrophobicContact CE3-CG 4.1Å; W178-F181 AromaticContact CH2-CD1 3.93Å; W178-F181 HydrophobicContact CH2-CD1 3.93Å; W178-F181 HydrophobicContact CH2-CE1 4.04Å; W178-F181 HydrophobicContact CZ3-CB 4.48Å; W178-F181 AromaticContact CZ3-CD1 3.45Å; W178-F181 HydrophobicContact CZ3-CD1 3.45Å; W178-F181 VanDerWaalsContact CZ3-CD1 3.45Å; W178-F181 AromaticContact CZ3-CE1 3.81Å; W178-F181 HydrophobicContact CZ3-CE1 3.81Å; W178-F181 AromaticContact CZ3-CG 3.99Å; W178-F181 HydrophobicContact CZ3-CG 3.99Å; W178-F181 WeakPolarHBondContact O-CB 3.47Å; W178-F181 PolarHBondContact O-N 3.32Å; Q179-F181 PolarHBondContact O-N 2.6Å; F181-S183 VanDerWaalsContact C-N 3.3Å; F181-S183 PolarHBondContact O-N 2.98Å; F181-I184 PolarHBondContact O-N 3.44Å; F181-H185 HydrophobicContact CE1-CB 4.48Å; F181-H185 WeakPolarHBondContact O-CB 3.47Å; F181-H185 PolarHBondContact O-N 3.41Å; F181-Y205 HydrophobicContact CD2-CD1 4.19Å; F181-Y205 AromaticContact CD2-CE1 3.71Å; F181-Y205 HydrophobicContact CD2-CE1 3.71Å; F181-Y205 HydrophobicContact CE2-CD1 4.23Å; F181-Y205 AromaticContact CE2-CE1 3.65Å; F181-Y205 HydrophobicContact CE2-CE1 3.65Å; F181-Y205 HydrophobicContact CG-CE1 4.47Å; F181-Y205 HydrophobicContact CZ-CE1 4.36Å; F181-L208 HydrophobicContact CB-CD2 3.74Å; F181-L208 HydrophobicContact CD2-CD2 3.96Å; F181-L208 HydrophobicContact CG-CD2 4.36Å; F181-L223 HydrophobicContact CE2-CD2 4.3Å; F181-L223 HydrophobicContact CE2-CG 4.2Å; F181-L223 HydrophobicContact CZ-CD2 4.14Å; F181-L223 HydrophobicContact CZ-CG 4.24Å; F181-Y227 AromaticContact CE2-CD2 3.88Å; F181-Y227 HydrophobicContact CE2-CD2 3.88Å; F181-Y227 HydrophobicContact CE2-CE2 4.33Å; F181-Y227 HydrophobicContact CE2-CG 4.25Å; F181-Y227 AromaticContact CZ-CD2 3.62Å; F181-Y227 HydrophobicContact CZ-CD2 3.62Å; F181-Y227 AromaticContact CZ-CE2 3.63Å; F181-Y227 HydrophobicContact CZ-CE2 3.63Å; F181-Y227 HydrophobicContact CZ-CG 4.09Å |
| 182 | R | 87.4 | Confident | 76.4 | Confident | 143 Ų | 143 | 87.1 Ų | 87.1 | 54% | 0.54 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | -179.7 | -72.4 | -175.1 | 91.2 | 171.3 | 5.6 | 111.7 | W178 Q179 T180 H185 A186 | W178-R182 HydrophobicContact CD2-CG 4.38Å; W178-R182 HydrophobicContact CZ2-CG 4.32Å; W178-R182 WeakPolarHBondContact O-CG 3.26Å; W178-R182 PolarHBondContact O-N 2.92Å; Q179-R182 PolarHBondContact O-N 3.17Å; T180-R182 PolarHBondContact O-N 3.43Å; R182-H185 PolarHBondContact O-N 2.87Å; R182-A186 VanDerWaalsContact O-CB 3.25Å; R182-A186 WeakPolarHBondContact O-CB 3.47Å; R182-A186 PolarHBondContact O-N 3.32Å |
| 183 | S | 88.3 | Confident | 76.7 | Confident | 49 Ų | 49 | 93.6 Ų | 93.6 | 34% | 0.343 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 178.2 | 83.6 | 0 | 0 | 0 | 0 | 111.5 | Q179 T180 F181 H185 A186 R187 | Q179-S183 WeakPolarHBondContact O-CB 3.48Å; Q179-S183 PolarHBondContact O-N 3.02Å; T180-S183 PolarHBondContact O-N 3.37Å; T180-S183 PolarHBondContact O-OG 3.25Å; F181-S183 VanDerWaalsContact C-N 3.3Å; F181-S183 PolarHBondContact O-N 2.98Å; S183-H185 PolarHBondContact O-N 3.17Å; S183-A186 PolarHBondContact O-N 3.19Å; S183-R187 WeakPolarHBondContact O-CG 3.44Å; S183-R187 PolarHBondContact O-N 3.21Å; S183-R187 VanDerWaalsContact O-N 3.15Å; S183-R187 PolarHBondContact OG-NH1 3.45Å |
| 184 | I | 89.7 | Confident | 77.1 | Confident | 2 Ų | 2 | 97.5 Ų | 97.5 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 177.1 | -55.9 | 161.4 | 0 | 0 | 0 | 109.1 | T180 F181 A186 R187 L188 A201 E204 Y205 L208 | T180-I184 HydrophobicContact CG2-CD1 4.26Å; T180-I184 WeakPolarHBondContact O-CG1 3.31Å; T180-I184 PolarHBondContact O-N 2.88Å; F181-I184 PolarHBondContact O-N 3.44Å; I184-A186 VanDerWaalsContact C-N 3.35Å; I184-A186 PolarHBondContact O-N 3.07Å; I184-R187 PolarHBondContact O-N 3.09Å; I184-L188 PolarHBondContact O-N 2.9Å; I184-A201 HydrophobicContact CG2-CB 4.15Å; I184-E204 HydrophobicContact CD1-CB 3.82Å; I184-E204 HydrophobicContact CG1-CB 4.1Å; I184-Y205 HydrophobicContact CB-CE1 3.9Å; I184-Y205 HydrophobicContact CB-CE2 4.44Å; I184-Y205 HydrophobicContact CD1-CD1 3.92Å; I184-Y205 HydrophobicContact CD1-CE1 4.05Å; I184-Y205 HydrophobicContact CD1-CG 4.5Å; I184-Y205 HydrophobicContact CG2-CD1 4.19Å; I184-Y205 HydrophobicContact CG2-CD2 3.9Å; I184-Y205 HydrophobicContact CG2-CE1 3.74Å; I184-Y205 HydrophobicContact CG2-CE2 3.44Å; I184-Y205 VanDerWaalsContact CG2-CE2 3.44Å; I184-Y205 HydrophobicContact CG2-CG 4.25Å; I184-L208 HydrophobicContact CD1-CD2 4.31Å |
| 185 | H | 88 | Confident | 77.1 | Confident | 56 Ų | 56 | 100.2 Ų | 100.2 | 26% | 0.259 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | -178.3 | -167.1 | 67.8 | 0 | 0 | 0 | 112.8 | F181 R182 S183 L188 K189 Y205 Y227 | F181-H185 HydrophobicContact CE1-CB 4.48Å; F181-H185 WeakPolarHBondContact O-CB 3.47Å; F181-H185 PolarHBondContact O-N 3.41Å; R182-H185 PolarHBondContact O-N 2.87Å; S183-H185 PolarHBondContact O-N 3.17Å; H185-L188 PolarHBondContact O-N 3.39Å; H185-K189 PolarHBondContact O-N 3.37Å; H185-Y205 WeakPolarHBondContact CA-OH 3.34Å; H185-Y205 WeakPolarHBondContact CB-OH 3.37Å; H185-Y205 PolarHBondContact N-OH 3.3Å; H185-Y227 AromaticContact CE1-CE1 3.57Å; H185-Y227 AromaticContact ND1-CD1 3.96Å; H185-Y227 AromaticContact ND1-CE1 3.53Å |
| 186 | A | 85.7 | Confident | 77.5 | Confident | 47 Ų | 47 | 98.5 Ų | 98.5 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | R182 S183 I184 L188 K189 K190 | R182-A186 VanDerWaalsContact O-CB 3.25Å; R182-A186 WeakPolarHBondContact O-CB 3.47Å; R182-A186 PolarHBondContact O-N 3.32Å; S183-A186 PolarHBondContact O-N 3.19Å; I184-A186 VanDerWaalsContact C-N 3.35Å; I184-A186 PolarHBondContact O-N 3.07Å; A186-L188 VanDerWaalsContact C-N 3.27Å; A186-L188 PolarHBondContact O-N 3.28Å; A186-K189 PolarHBondContact O-N 3.07Å; A186-K190 WeakPolarHBondContact O-CB 3.37Å; A186-K190 PolarHBondContact O-N 3.09Å |
| 187 | R | 85.1 | Confident | 77.9 | Confident | 109 Ų | 109 | 99.8 Ų | 99.8 | 41% | 0.411 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -35.9 | 176 | -73.2 | -169.8 | -66 | -90.1 | 7 | 112.3 | S183 I184 E204 | S183-R187 WeakPolarHBondContact O-CG 3.44Å; S183-R187 PolarHBondContact O-N 3.21Å; S183-R187 VanDerWaalsContact O-N 3.15Å; S183-R187 PolarHBondContact OG-NH1 3.45Å; I184-R187 PolarHBondContact O-N 3.09Å; R187-E204 IonicContact CZ-OE1 3.14Å; R187-E204 IonicContact CZ-OE2 2.62Å; R187-E204 IonicContact NE-OE2 2.77Å; R187-E204 IonicContact NH2-OE1 3.99Å; R187-E204 PolarHBondContact NH2-OE1 3.34Å; R187-E204 IonicContact NH2-OE2 3.84Å; R187-E204 PolarHBondContact NH2-OE2 2.98Å |
| 188 | L | 79 | Confident | 78.2 | Confident | 43 Ų | 43 | 100.6 Ų | 100.6 | 23% | 0.225 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -69.5 | -33.5 | 176.9 | -67.8 | 174 | 0 | 0 | 0 | 113 | I184 H185 A186 P196 L198 A201 Y205 | I184-L188 PolarHBondContact O-N 2.9Å; H185-L188 PolarHBondContact O-N 3.39Å; A186-L188 VanDerWaalsContact C-N 3.27Å; A186-L188 PolarHBondContact O-N 3.28Å; L188-P196 HydrophobicContact CD2-CB 3.96Å; L188-P196 HydrophobicContact CD2-CG 4.37Å; L188-L198 HydrophobicContact CD2-CD2 3.83Å; L188-A201 HydrophobicContact CD1-CB 4.29Å; L188-A201 HydrophobicContact CD2-CB 3.82Å; L188-A201 HydrophobicContact CG-CB 4.28Å; L188-Y205 HydrophobicContact CD1-CE2 3.9Å |
| 189 | K | 73.9 | Confident | 78.7 | Confident | 170 Ų | 170 | 96.2 Ų | 96.2 | 74% | 0.739 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -79.8 | -30.3 | -177.9 | -109.7 | -176.7 | 176.6 | -179.9 | 0 | 114.5 | H185 A186 | H185-K189 PolarHBondContact O-N 3.37Å; A186-K189 PolarHBondContact O-N 3.07Å |
| 190 | K | 58.9 | Low | 79 | Confident | 180 Ų | 180 | 95.6 Ų | 95.6 | 78% | 0.783 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -99.6 | 22.4 | -157.8 | -89.2 | -166.9 | 175 | -175.4 | 0 | 117.7 | A186 | A186-K190 WeakPolarHBondContact O-CB 3.37Å; A186-K190 PolarHBondContact O-N 3.09Å |
| 191 | R | 57.2 | Low | 79.2 | Confident | 164 Ų | 164 | 94 Ų | 94 | 62% | 0.619 | 44% | 0.441 | S | S | * | . | trans | -131.4 | 95.4 | 179.4 | -67.3 | -175.1 | 178 | -178.9 | -0.1 | 112.8 | F193 | R191-F193 VanDerWaalsContact C-N 3.25Å; R191-F193 PolarHBondContact O-N 3.47Å | ||
| 192 | S | 58.4 | Low | 79.4 | Confident | 111 Ų | 111 | 93.3 Ų | 93.3 | 78% | 0.776 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -70.5 | -13.3 | 174.6 | 42.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 193 | F | 60.3 | Low | 79.8 | Confident | 199 Ų | 199 | 94.3 Ų | 94.3 | 87% | 0.873 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -123.9 | -1.7 | -175 | -77.8 | -84.1 | 0 | 0 | 0 | 115.8 | R191 | R191-F193 VanDerWaalsContact C-N 3.25Å; R191-F193 PolarHBondContact O-N 3.47Å |
| 194 | R | 65.5 | Low | 80.1 | Confident | 195 Ų | 195 | 94.8 Ų | 94.8 | 74% | 0.736 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -139 | 126.8 | 173.6 | -106.4 | -176.3 | 177.9 | -176.1 | -0.6 | 110 | ||
| 195 | K | 67.7 | Low | 80.4 | Confident | 207 Ų | 207 | 94.7 Ų | 94.7 | 90% | 0.9 | 44% | 0.438 | S | S | * | . | trans | -53.7 | 124.2 | 173.1 | -82.6 | -175 | 176.3 | -179.7 | 0 | 108.7 | ||||
| 196 | P | 76 | Confident | 80.8 | Confident | 46 Ų | 46 | 94.1 Ų | 94.1 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | trans | -63.4 | 147.1 | 178.2 | 23.2 | -29.9 | 0 | 0 | 0 | 110.3 | L188 L198 | L188-P196 HydrophobicContact CD2-CB 3.96Å; L188-P196 HydrophobicContact CD2-CG 4.37Å; P196-L198 VanDerWaalsContact C-N 3.3Å; P196-L198 HydrophobicContact CG-CD2 4.4Å; P196-L198 PolarHBondContact O-N 3.22Å | ||
| 197 | N | 85.9 | Confident | 81.3 | Confident | 96 Ų | 96 | 94.7 Ų | 94.7 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | trans | -76.6 | 83.4 | 177.7 | -169.5 | -0.2 | 0 | 0 | 0 | 110 | G199 E200 A201 | N197-G199 PolarHBondContact O-N 3.13Å; N197-E200 HydrophobicContact CB-CB 4.14Å; N197-E200 WeakPolarHBondContact ND2-CB 3.31Å; N197-E200 PolarHBondContact ND2-OE2 2.86Å; N197-E200 PolarHBondContact O-N 3.06Å; N197-A201 PolarHBondContact O-N 2.81Å; N197-A201 VanDerWaalsContact O-N 3.09Å | ||
| 198 | L | 89.9 | Confident | 81.7 | Confident | 27 Ų | 27 | 89.8 Ų | 89.8 | 14% | 0.141 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62 | -31.6 | -175.6 | -64.7 | 167.4 | 0 | 0 | 0 | 112.6 | L188 P196 A201 S202 C231 Q234 L235 | L188-L198 HydrophobicContact CD2-CD2 3.83Å; P196-L198 VanDerWaalsContact C-N 3.3Å; P196-L198 HydrophobicContact CG-CD2 4.4Å; P196-L198 PolarHBondContact O-N 3.22Å; L198-A201 PolarHBondContact O-N 3.31Å; L198-S202 WeakPolarHBondContact O-CB 3.41Å; L198-S202 PolarHBondContact O-N 3.41Å; L198-C231 HydrophobicContact CB-CB 4.44Å; L198-Q234 HydrophobicContact CD1-CB 3.58Å; L198-L235 HydrophobicContact CB-CD1 4.04Å; L198-L235 HydrophobicContact CB-CD2 3.9Å; L198-L235 HydrophobicContact CB-CG 3.86Å; L198-L235 HydrophobicContact CD1-CD2 4.38Å; L198-L235 HydrophobicContact CD1-CG 4.48Å |
| 199 | G | 91.4 | Very high | 82.5 | Confident | 14 Ų | 14 | 87.9 Ų | 87.9 | 14% | 0.144 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -70.1 | -38 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N197 R203 | N197-G199 PolarHBondContact O-N 3.13Å; G199-R203 WeakPolarHBondContact O-CG 3.36Å; G199-R203 PolarHBondContact O-N 2.99Å |
| 200 | E | 92.2 | Very high | 83.4 | Confident | 92 Ų | 92 | 86.3 Ų | 86.3 | 43% | 0.43 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.3 | -46.7 | 172.9 | -176.8 | 178.5 | -173.4 | 0 | 0 | 111.3 | N197 S202 R203 E204 | N197-E200 HydrophobicContact CB-CB 4.14Å; N197-E200 WeakPolarHBondContact ND2-CB 3.31Å; N197-E200 PolarHBondContact ND2-OE2 2.86Å; N197-E200 PolarHBondContact O-N 3.06Å; E200-S202 VanDerWaalsContact C-N 3.29Å; E200-S202 PolarHBondContact O-N 3.39Å; E200-R203 PolarHBondContact O-N 3.37Å; E200-R203 VanDerWaalsContact O-N 3.13Å; E200-E204 WeakPolarHBondContact O-CG 3.19Å; E200-E204 PolarHBondContact O-N 3.04Å |
| 201 | A | 93.4 | Very high | 85 | Confident | 8 Ų | 8 | 80.9 Ų | 80.9 | 7% | 0.066 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | I184 L188 N197 L198 E204 Y205 | I184-A201 HydrophobicContact CG2-CB 4.15Å; L188-A201 HydrophobicContact CD1-CB 4.29Å; L188-A201 HydrophobicContact CD2-CB 3.82Å; L188-A201 HydrophobicContact CG-CB 4.28Å; N197-A201 PolarHBondContact O-N 2.81Å; N197-A201 VanDerWaalsContact O-N 3.09Å; L198-A201 PolarHBondContact O-N 3.31Å; A201-E204 PolarHBondContact O-N 3.43Å; A201-Y205 WeakPolarHBondContact O-CD2 3.31Å; A201-Y205 PolarHBondContact O-N 3.24Å |
| 202 | S | 94.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 174.6 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | L198 E200 E204 Y205 V206 E232 | L198-S202 WeakPolarHBondContact O-CB 3.41Å; L198-S202 PolarHBondContact O-N 3.41Å; E200-S202 VanDerWaalsContact C-N 3.29Å; E200-S202 PolarHBondContact O-N 3.39Å; S202-E204 VanDerWaalsContact C-N 3.34Å; S202-E204 PolarHBondContact O-N 3.17Å; S202-Y205 PolarHBondContact O-N 3.26Å; S202-V206 WeakPolarHBondContact O-CG2 3.45Å; S202-V206 PolarHBondContact O-N 3.37Å; S202-E232 VanDerWaalsContact CB-OE1 3.22Å; S202-E232 WeakPolarHBondContact CB-OE1 3.27Å; S202-E232 PolarHBondContact OG-OE1 2.98Å |
| 203 | R | 95.3 | Very high | 88.3 | Confident | 164 Ų | 164 | 72.7 Ų | 72.7 | 62% | 0.619 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.1 | -41.1 | 177.2 | -73.2 | -171.9 | -65.1 | -97.9 | 3.2 | 112.6 | G199 E200 V206 A207 | G199-R203 WeakPolarHBondContact O-CG 3.36Å; G199-R203 PolarHBondContact O-N 2.99Å; E200-R203 PolarHBondContact O-N 3.37Å; E200-R203 VanDerWaalsContact O-N 3.13Å; R203-V206 PolarHBondContact O-N 3.15Å; R203-A207 WeakPolarHBondContact O-CB 3.36Å; R203-A207 PolarHBondContact O-N 3.46Å |
| 204 | E | 95.1 | Very high | 89.6 | Confident | 59 Ų | 59 | 70.6 Ų | 70.6 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 175.9 | -70.3 | 178.5 | 148 | 0 | 0 | 111.8 | I184 R187 E200 A201 S202 A207 L208 | I184-E204 HydrophobicContact CD1-CB 3.82Å; I184-E204 HydrophobicContact CG1-CB 4.1Å; R187-E204 IonicContact CZ-OE1 3.14Å; R187-E204 IonicContact CZ-OE2 2.62Å; R187-E204 IonicContact NE-OE2 2.77Å; R187-E204 IonicContact NH2-OE1 3.99Å; R187-E204 PolarHBondContact NH2-OE1 3.34Å; R187-E204 IonicContact NH2-OE2 3.84Å; R187-E204 PolarHBondContact NH2-OE2 2.98Å; E200-E204 WeakPolarHBondContact O-CG 3.19Å; E200-E204 PolarHBondContact O-N 3.04Å; A201-E204 PolarHBondContact O-N 3.43Å; S202-E204 VanDerWaalsContact C-N 3.34Å; S202-E204 PolarHBondContact O-N 3.17Å; E204-A207 PolarHBondContact O-N 3.35Å; E204-L208 WeakPolarHBondContact O-CB 3.19Å; E204-L208 PolarHBondContact O-N 2.94Å |
| 205 | Y | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 174.3 | -79 | -53.7 | 0 | 0 | 0 | 112.5 | F181 I184 H185 L188 A201 S202 L208 A209 | F181-Y205 HydrophobicContact CD2-CD1 4.19Å; F181-Y205 AromaticContact CD2-CE1 3.71Å; F181-Y205 HydrophobicContact CD2-CE1 3.71Å; F181-Y205 HydrophobicContact CE2-CD1 4.23Å; F181-Y205 AromaticContact CE2-CE1 3.65Å; F181-Y205 HydrophobicContact CE2-CE1 3.65Å; F181-Y205 HydrophobicContact CG-CE1 4.47Å; F181-Y205 HydrophobicContact CZ-CE1 4.36Å; I184-Y205 HydrophobicContact CB-CE1 3.9Å; I184-Y205 HydrophobicContact CB-CE2 4.44Å; I184-Y205 HydrophobicContact CD1-CD1 3.92Å; I184-Y205 HydrophobicContact CD1-CE1 4.05Å; I184-Y205 HydrophobicContact CD1-CG 4.5Å; I184-Y205 HydrophobicContact CG2-CD1 4.19Å; I184-Y205 HydrophobicContact CG2-CD2 3.9Å; I184-Y205 HydrophobicContact CG2-CE1 3.74Å; I184-Y205 HydrophobicContact CG2-CE2 3.44Å; I184-Y205 VanDerWaalsContact CG2-CE2 3.44Å; I184-Y205 HydrophobicContact CG2-CG 4.25Å; H185-Y205 WeakPolarHBondContact CA-OH 3.34Å; H185-Y205 WeakPolarHBondContact CB-OH 3.37Å; H185-Y205 PolarHBondContact N-OH 3.3Å; L188-Y205 HydrophobicContact CD1-CE2 3.9Å; A201-Y205 WeakPolarHBondContact O-CD2 3.31Å; A201-Y205 PolarHBondContact O-N 3.24Å; S202-Y205 PolarHBondContact O-N 3.26Å; Y205-L208 PolarHBondContact O-N 3.39Å; Y205-A209 PolarHBondContact O-N 3.35Å |
| 206 | V | 96 | Very high | 91.5 | Very high | 44 Ų | 44 | 62.5 Ų | 62.5 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | S202 R203 A209 K210 A228 | S202-V206 WeakPolarHBondContact O-CG2 3.45Å; S202-V206 PolarHBondContact O-N 3.37Å; R203-V206 PolarHBondContact O-N 3.15Å; V206-A209 WeakPolarHBondContact O-CB 3.23Å; V206-A209 PolarHBondContact O-N 3.46Å; V206-K210 PolarHBondContact O-N 3.42Å; V206-K210 VanDerWaalsContact O-N 3.09Å; V206-A228 HydrophobicContact CG2-CB 3.87Å |
| 207 | A | 95.1 | Very high | 92 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 49% | 0.488 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R203 E204 A209 K210 R211 | R203-A207 WeakPolarHBondContact O-CB 3.36Å; R203-A207 PolarHBondContact O-N 3.46Å; E204-A207 PolarHBondContact O-N 3.35Å; A207-A209 VanDerWaalsContact C-N 3.33Å; A207-A209 PolarHBondContact O-N 3.15Å; A207-K210 PolarHBondContact O-N 2.84Å; A207-R211 PolarHBondContact O-N 3.24Å; A207-R211 VanDerWaalsContact O-N 3.13Å |
| 208 | L | 94.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 174 | 179.3 | 62.4 | 0 | 0 | 0 | 111.8 | P177 T180 F181 I184 E204 Y205 K210 R211 L212 A224 | P177-L208 HydrophobicContact CB-CD1 3.93Å; T180-L208 HydrophobicContact CG2-CD1 4.12Å; F181-L208 HydrophobicContact CB-CD2 3.74Å; F181-L208 HydrophobicContact CD2-CD2 3.96Å; F181-L208 HydrophobicContact CG-CD2 4.36Å; I184-L208 HydrophobicContact CD1-CD2 4.31Å; E204-L208 WeakPolarHBondContact O-CB 3.19Å; E204-L208 PolarHBondContact O-N 2.94Å; Y205-L208 PolarHBondContact O-N 3.39Å; L208-K210 PolarHBondContact O-N 2.96Å; L208-R211 PolarHBondContact O-N 3.5Å; L208-L212 HydrophobicContact CD1-CD1 4.2Å; L208-L212 HydrophobicContact CD1-CG 4.41Å; L208-L212 HydrophobicContact CG-CD1 3.91Å; L208-L212 WeakPolarHBondContact O-CG 3.29Å; L208-L212 PolarHBondContact O-N 2.97Å; L208-A224 HydrophobicContact CD2-CB 4.33Å; L208-A224 HydrophobicContact CG-CB 4.4Å |
| 209 | A | 95.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y205 V206 A207 R211 L212 E213 E221 A224 L225 | Y205-A209 PolarHBondContact O-N 3.35Å; V206-A209 WeakPolarHBondContact O-CB 3.23Å; V206-A209 PolarHBondContact O-N 3.46Å; A207-A209 VanDerWaalsContact C-N 3.33Å; A207-A209 PolarHBondContact O-N 3.15Å; A209-R211 VanDerWaalsContact C-N 3.29Å; A209-R211 PolarHBondContact O-N 3.38Å; A209-L212 PolarHBondContact O-N 3.36Å; A209-L212 VanDerWaalsContact O-N 3.16Å; A209-E213 PolarHBondContact O-N 3.31Å; A209-E221 HydrophobicContact CB-CG 4.03Å; A209-E221 WeakPolarHBondContact O-CG 3.28Å; A209-A224 HydrophobicContact CB-CB 4.06Å; A209-L225 HydrophobicContact CB-CD2 3.8Å; A209-L225 HydrophobicContact CB-CG 3.78Å |
| 210 | K | 94.5 | Very high | 92 | Very high | 137 Ų | 137 | 64.1 Ų | 64.1 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.2 | -37.7 | 176.4 | -75.6 | -175.2 | 176.6 | -175.9 | 0 | 113.1 | V206 A207 L208 E213 Q214 | V206-K210 PolarHBondContact O-N 3.42Å; V206-K210 VanDerWaalsContact O-N 3.09Å; A207-K210 PolarHBondContact O-N 2.84Å; L208-K210 PolarHBondContact O-N 2.96Å; K210-E213 WeakPolarHBondContact O-CB 3.17Å; K210-E213 PolarHBondContact O-N 3.36Å; K210-Q214 PolarHBondContact O-N 2.91Å |
| 211 | R | 91.8 | Very high | 92.1 | Very high | 67 Ų | 67 | 60 Ų | 60 | 25% | 0.253 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 174.7 | -179.5 | 177.6 | 167.8 | -168.7 | -6.6 | 111.4 | V175 A207 L208 A209 E213 Q214 E215 | V175-R211 PolarHBondContact O-NH1 2.92Å; V175-R211 PolarHBondContact O-NH2 2.73Å; A207-R211 PolarHBondContact O-N 3.24Å; A207-R211 VanDerWaalsContact O-N 3.13Å; L208-R211 PolarHBondContact O-N 3.5Å; A209-R211 VanDerWaalsContact C-N 3.29Å; A209-R211 PolarHBondContact O-N 3.38Å; R211-E213 PolarHBondContact O-N 2.93Å; R211-Q214 WeakPolarHBondContact O-CB 3.46Å; R211-Q214 PolarHBondContact O-N 3.12Å; R211-Q214 VanDerWaalsContact O-N 3.11Å; R211-E215 IonicContact CZ-OE1 3.51Å; R211-E215 IonicContact NE-OE1 3.22Å; R211-E215 PolarHBondContact NE-OE1 3.5Å; R211-E215 IonicContact NH2-OE1 2.66Å; R211-E215 PolarHBondContact NH2-OE1 3.24Å; R211-E215 VanDerWaalsContact NH2-OE1 3.16Å; R211-E215 PolarHBondContact O-N 3.44Å |
| 212 | L | 91.7 | Very high | 92.2 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -26.7 | 178.4 | -71.5 | 164.6 | 0 | 0 | 0 | 113 | P177 L208 A209 E215 H216 C217 E221 A224 | P177-L212 HydrophobicContact CB-CD2 3.62Å; P177-L212 HydrophobicContact CB-CG 4.28Å; P177-L212 HydrophobicContact CG-CD2 4.01Å; L208-L212 HydrophobicContact CD1-CD1 4.2Å; L208-L212 HydrophobicContact CD1-CG 4.41Å; L208-L212 HydrophobicContact CG-CD1 3.91Å; L208-L212 WeakPolarHBondContact O-CG 3.29Å; L208-L212 PolarHBondContact O-N 2.97Å; A209-L212 PolarHBondContact O-N 3.36Å; A209-L212 VanDerWaalsContact O-N 3.16Å; L212-E215 CarbonylContact O-C 3.44Å; L212-E215 PolarHBondContact O-N 3.18Å; L212-H216 PolarHBondContact O-N 3.37Å; L212-C217 HydrophobicContact CB-CB 4.5Å; L212-C217 HydrophobicContact CD2-CB 3.97Å; L212-C217 PolarHBondContact O-N 3.49Å; L212-E221 HydrophobicContact CB-CB 3.96Å; L212-A224 HydrophobicContact CD1-CB 4.4Å |
| 213 | E | 92.6 | Very high | 92.2 | Very high | 93 Ų | 93 | 62 Ų | 62 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 171.5 | -172.3 | 174.2 | 169.1 | 0 | 0 | 111.1 | A209 K210 R211 E215 H216 K247 | A209-E213 PolarHBondContact O-N 3.31Å; K210-E213 WeakPolarHBondContact O-CB 3.17Å; K210-E213 PolarHBondContact O-N 3.36Å; R211-E213 PolarHBondContact O-N 2.93Å; E213-E215 VanDerWaalsContact C-N 3.32Å; E213-E215 PolarHBondContact O-N 2.89Å; E213-H216 PolarHBondContact O-N 3.39Å; E213-H216 VanDerWaalsContact O-N 3.16Å; E213-K247 IonicContact OE2-NZ 2.66Å; E213-K247 PolarHBondContact OE2-NZ 3.25Å |
| 214 | Q | 87.9 | Confident | 92.1 | Very high | 155 Ų | 155 | 54.2 Ų | 54.2 | 72% | 0.724 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.9 | -34.1 | 176.1 | -64.2 | 174.4 | -13.9 | 0 | 0 | 112.4 | K210 R211 H216 | K210-Q214 PolarHBondContact O-N 2.91Å; R211-Q214 WeakPolarHBondContact O-CB 3.46Å; R211-Q214 PolarHBondContact O-N 3.12Å; R211-Q214 VanDerWaalsContact O-N 3.11Å; Q214-H216 PolarHBondContact O-N 2.94Å |
| 215 | E | 85.9 | Confident | 92.2 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 29% | 0.29 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 8.6 | 176.7 | -63.4 | 176.2 | -168.4 | 0 | 0 | 112.7 | Y174 P177 R211 L212 E213 C217 | Y174-E215 WeakPolarHBondContact CE2-OE1 3.48Å; Y174-E215 PolarHBondContact OH-OE2 2.81Å; P177-E215 WeakPolarHBondContact CG-OE2 3.38Å; R211-E215 IonicContact CZ-OE1 3.51Å; R211-E215 IonicContact NE-OE1 3.22Å; R211-E215 PolarHBondContact NE-OE1 3.5Å; R211-E215 IonicContact NH2-OE1 2.66Å; R211-E215 PolarHBondContact NH2-OE1 3.24Å; R211-E215 VanDerWaalsContact NH2-OE1 3.16Å; R211-E215 PolarHBondContact O-N 3.44Å; L212-E215 CarbonylContact O-C 3.44Å; L212-E215 PolarHBondContact O-N 3.18Å; E213-E215 VanDerWaalsContact C-N 3.32Å; E213-E215 PolarHBondContact O-N 2.89Å; E215-C217 PolarHBondContact O-N 3.21Å; E215-C217 VanDerWaalsContact O-N 3.11Å; E215-C217 PolarHBondContact O-SG 2.98Å; E215-C217 VanDerWaalsContact O-SG 3.37Å |
| 216 | H | 86.6 | Confident | 92.1 | Very high | 170 Ų | 170 | 52.2 Ų | 52.2 | 79% | 0.787 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 27.8 | 179.4 | -60.4 | -56.6 | 0 | 0 | 0 | 115.3 | L212 E213 Q214 S218 | L212-H216 PolarHBondContact O-N 3.37Å; E213-H216 PolarHBondContact O-N 3.39Å; E213-H216 VanDerWaalsContact O-N 3.16Å; Q214-H216 PolarHBondContact O-N 2.94Å; H216-S218 PolarHBondContact O-N 3.41Å |
| 217 | C | 87 | Confident | 92 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 30% | 0.304 | 26% | 0.256 | S | S | . | . | trans | -95.2 | 62.6 | -175.9 | -77.9 | 0 | 0 | 0 | 0 | 112.6 | L212 E215 S219 Y220 E221 | L212-C217 HydrophobicContact CB-CB 4.5Å; L212-C217 HydrophobicContact CD2-CB 3.97Å; L212-C217 PolarHBondContact O-N 3.49Å; E215-C217 PolarHBondContact O-N 3.21Å; E215-C217 VanDerWaalsContact O-N 3.11Å; E215-C217 PolarHBondContact O-SG 2.98Å; E215-C217 VanDerWaalsContact O-SG 3.37Å; C217-S219 VanDerWaalsContact C-N 3.34Å; C217-S219 PolarHBondContact O-N 2.85Å; C217-S219 VanDerWaalsContact O-N 3.13Å; C217-Y220 HydrophobicContact CB-CD2 4.24Å; C217-Y220 PolarHBondContact O-N 3.36Å; C217-E221 PolarHBondContact O-N 3.02Å | ||
| 218 | S | 89.4 | Confident | 92.1 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 12% | 0.119 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -50.4 | -40.3 | -171.2 | 51.7 | 0 | 0 | 0 | 0 | 116 | H216 A222 H255 | H216-S218 PolarHBondContact O-N 3.41Å; S218-A222 WeakPolarHBondContact O-CB 3.04Å; S218-A222 PolarHBondContact O-N 3.38Å; S218-H255 WeakPolarHBondContact OG-CB 3.5Å |
| 219 | S | 88.3 | Confident | 92 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 19% | 0.189 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.7 | -35.5 | 179 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | C217 L223 | C217-S219 VanDerWaalsContact C-N 3.34Å; C217-S219 PolarHBondContact O-N 2.85Å; C217-S219 VanDerWaalsContact O-N 3.13Å; S219-L223 PolarHBondContact O-N 3.03Å; S219-L223 VanDerWaalsContact O-N 3.12Å |
| 220 | Y | 90 | Very high | 91.8 | Very high | 128 Ų | 128 | 55.2 Ų | 55.2 | 50% | 0.502 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -79.1 | -36.5 | 179 | -67 | -69.1 | 0 | 0 | 0 | 110.8 | C217 A222 L223 A224 | C217-Y220 HydrophobicContact CB-CD2 4.24Å; C217-Y220 PolarHBondContact O-N 3.36Å; Y220-A222 VanDerWaalsContact C-N 3.33Å; Y220-A222 PolarHBondContact O-N 3.17Å; Y220-L223 WeakPolarHBondContact O-CB 3.49Å; Y220-L223 PolarHBondContact O-N 2.97Å; Y220-A224 PolarHBondContact O-N 3.45Å |
| 221 | E | 94.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.4 | -50.8 | 169.8 | -177.7 | -171.3 | 165.2 | 0 | 0 | 110.3 | A209 L212 C217 L223 A224 L225 K247 L251 | A209-E221 HydrophobicContact CB-CG 4.03Å; A209-E221 WeakPolarHBondContact O-CG 3.28Å; L212-E221 HydrophobicContact CB-CB 3.96Å; C217-E221 PolarHBondContact O-N 3.02Å; E221-L223 VanDerWaalsContact C-N 3.29Å; E221-L223 PolarHBondContact O-N 3.17Å; E221-A224 PolarHBondContact O-N 3.08Å; E221-L225 HydrophobicContact CG-CD1 4.34Å; E221-L225 WeakPolarHBondContact O-CG 3.38Å; E221-L225 PolarHBondContact O-N 3.35Å; E221-L225 VanDerWaalsContact O-N 3.08Å; E221-K247 WeakPolarHBondContact OE1-CE 3.39Å; E221-K247 IonicContact OE1-NZ 3.9Å; E221-K247 PolarHBondContact OE1-NZ 2.73Å; E221-L251 HydrophobicContact CB-CD1 4.16Å; E221-L251 HydrophobicContact CG-CD1 3.62Å; E221-L251 WeakPolarHBondContact OE1-CD1 3.42Å; E221-L251 WeakPolarHBondContact OE2-CD2 3.41Å |
| 222 | A | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.5 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S218 Y220 L225 V226 A248 L251 F252 | S218-A222 WeakPolarHBondContact O-CB 3.04Å; S218-A222 PolarHBondContact O-N 3.38Å; Y220-A222 VanDerWaalsContact C-N 3.33Å; Y220-A222 PolarHBondContact O-N 3.17Å; A222-L225 PolarHBondContact O-N 2.96Å; A222-V226 WeakPolarHBondContact O-CG2 3.34Å; A222-V226 PolarHBondContact O-N 3.36Å; A222-A248 HydrophobicContact CB-CB 4.38Å; A222-L251 HydrophobicContact CB-CB 3.72Å; A222-L251 HydrophobicContact CB-CD1 4.23Å; A222-F252 HydrophobicContact CB-CD1 3.77Å; A222-F252 HydrophobicContact CB-CD2 3.77Å; A222-F252 HydrophobicContact CB-CE1 3.59Å; A222-F252 HydrophobicContact CB-CE2 3.58Å; A222-F252 HydrophobicContact CB-CG 3.85Å; A222-F252 HydrophobicContact CB-CZ 3.48Å; A222-F252 VanDerWaalsContact CB-CZ 3.48Å |
| 223 | L | 93.3 | Very high | 91.6 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 177.5 | -173.8 | 67.2 | 0 | 0 | 0 | 111.7 | W178 F181 S219 Y220 E221 L225 V226 Y227 | W178-L223 HydrophobicContact CZ3-CD2 4.13Å; F181-L223 HydrophobicContact CE2-CD2 4.3Å; F181-L223 HydrophobicContact CE2-CG 4.2Å; F181-L223 HydrophobicContact CZ-CD2 4.14Å; F181-L223 HydrophobicContact CZ-CG 4.24Å; S219-L223 PolarHBondContact O-N 3.03Å; S219-L223 VanDerWaalsContact O-N 3.12Å; Y220-L223 WeakPolarHBondContact O-CB 3.49Å; Y220-L223 PolarHBondContact O-N 2.97Å; E221-L223 VanDerWaalsContact C-N 3.29Å; E221-L223 PolarHBondContact O-N 3.17Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 3.26Å; L223-V226 PolarHBondContact O-N 2.86Å; L223-Y227 HydrophobicContact CD1-CD2 4.21Å; L223-Y227 HydrophobicContact CD1-CE2 3.83Å; L223-Y227 HydrophobicContact CG-CD2 4.32Å; L223-Y227 HydrophobicContact CG-CE2 4.25Å; L223-Y227 WeakPolarHBondContact O-CD2 3.27Å; L223-Y227 PolarHBondContact O-N 3.36Å |
| 224 | A | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L208 A209 L212 Y220 E221 V226 Y227 A228 | L208-A224 HydrophobicContact CD2-CB 4.33Å; L208-A224 HydrophobicContact CG-CB 4.4Å; A209-A224 HydrophobicContact CB-CB 4.06Å; L212-A224 HydrophobicContact CD1-CB 4.4Å; Y220-A224 PolarHBondContact O-N 3.45Å; E221-A224 PolarHBondContact O-N 3.08Å; A224-V226 PolarHBondContact O-N 3.18Å; A224-Y227 PolarHBondContact O-N 3.38Å; A224-Y227 VanDerWaalsContact O-N 3.16Å; A224-A228 PolarHBondContact O-N 3.4Å |
| 225 | L | 96.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -37.1 | 176.7 | -68.2 | 170.3 | 0 | 0 | 0 | 113.3 | A209 E221 A222 L223 Y227 A228 A229 K247 A248 L251 | A209-L225 HydrophobicContact CB-CD2 3.8Å; A209-L225 HydrophobicContact CB-CG 3.78Å; E221-L225 HydrophobicContact CG-CD1 4.34Å; E221-L225 WeakPolarHBondContact O-CG 3.38Å; E221-L225 PolarHBondContact O-N 3.35Å; E221-L225 VanDerWaalsContact O-N 3.08Å; A222-L225 PolarHBondContact O-N 2.96Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 3.26Å; L225-Y227 VanDerWaalsContact C-N 3.3Å; L225-Y227 PolarHBondContact O-N 3.44Å; L225-A228 WeakPolarHBondContact O-CB 3.32Å; L225-A228 PolarHBondContact O-N 2.93Å; L225-A229 WeakPolarHBondContact O-CB 3.47Å; L225-A229 PolarHBondContact O-N 3.03Å; L225-K247 HydrophobicContact CD1-CB 4.03Å; L225-K247 HydrophobicContact CD1-CD 3.71Å; L225-K247 HydrophobicContact CD1-CG 3.72Å; L225-A248 HydrophobicContact CB-CB 4.04Å; L225-L251 HydrophobicContact CD1-CD1 3.64Å |
| 226 | V | 94.3 | Very high | 91.5 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | 173.8 | 167 | 0 | 0 | 0 | 0 | 111.4 | A222 L223 A224 A229 R230 F245 A248 F252 C277 | A222-V226 WeakPolarHBondContact O-CG2 3.34Å; A222-V226 PolarHBondContact O-N 3.36Å; L223-V226 PolarHBondContact O-N 2.86Å; A224-V226 PolarHBondContact O-N 3.18Å; V226-A229 PolarHBondContact O-N 2.76Å; V226-R230 WeakPolarHBondContact O-CG 3.32Å; V226-R230 PolarHBondContact O-N 2.96Å; V226-R230 VanDerWaalsContact O-N 3.09Å; V226-F245 HydrophobicContact CG1-CE1 4.29Å; V226-F245 HydrophobicContact CG2-CE1 4.46Å; V226-A248 HydrophobicContact CG2-CB 3.87Å; V226-F252 HydrophobicContact CG2-CE2 3.96Å; V226-C277 VanDerWaalsContact CG2-SG 3.6Å |
| 227 | Y | 94.3 | Very high | 91.5 | Very high | 49 Ų | 49 | 49 Ų | 49 | 19% | 0.192 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.7 | -33.6 | 178 | -83.4 | -92.5 | 0 | 0 | 0 | 112.7 | F181 H185 L223 A224 L225 R230 C231 | F181-Y227 AromaticContact CE2-CD2 3.88Å; F181-Y227 HydrophobicContact CE2-CD2 3.88Å; F181-Y227 HydrophobicContact CE2-CE2 4.33Å; F181-Y227 HydrophobicContact CE2-CG 4.25Å; F181-Y227 AromaticContact CZ-CD2 3.62Å; F181-Y227 HydrophobicContact CZ-CD2 3.62Å; F181-Y227 AromaticContact CZ-CE2 3.63Å; F181-Y227 HydrophobicContact CZ-CE2 3.63Å; F181-Y227 HydrophobicContact CZ-CG 4.09Å; H185-Y227 AromaticContact CE1-CE1 3.57Å; H185-Y227 AromaticContact ND1-CD1 3.96Å; H185-Y227 AromaticContact ND1-CE1 3.53Å; L223-Y227 HydrophobicContact CD1-CD2 4.21Å; L223-Y227 HydrophobicContact CD1-CE2 3.83Å; L223-Y227 HydrophobicContact CG-CD2 4.32Å; L223-Y227 HydrophobicContact CG-CE2 4.25Å; L223-Y227 WeakPolarHBondContact O-CD2 3.27Å; L223-Y227 PolarHBondContact O-N 3.36Å; A224-Y227 PolarHBondContact O-N 3.38Å; A224-Y227 VanDerWaalsContact O-N 3.16Å; L225-Y227 VanDerWaalsContact C-N 3.3Å; L225-Y227 PolarHBondContact O-N 3.44Å; Y227-R230 PolarHBondContact O-N 3.11Å; Y227-C231 PolarHBondContact O-N 3.1Å; Y227-C231 VanDerWaalsContact O-N 3.15Å; Y227-C231 PolarHBondContact O-SG 3.04Å |
| 228 | A | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -50 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V206 A224 L225 R230 C231 E232 | V206-A228 HydrophobicContact CG2-CB 3.87Å; A224-A228 PolarHBondContact O-N 3.4Å; L225-A228 WeakPolarHBondContact O-CB 3.32Å; L225-A228 PolarHBondContact O-N 2.93Å; A228-R230 VanDerWaalsContact C-N 3.29Å; A228-R230 PolarHBondContact O-N 3.11Å; A228-C231 WeakPolarHBondContact O-CA 3.49Å; A228-C231 WeakPolarHBondContact O-CB 3.41Å; A228-C231 PolarHBondContact O-N 3.35Å; A228-E232 WeakPolarHBondContact O-CG 3.49Å; A228-E232 PolarHBondContact O-N 2.6Å |
| 229 | A | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.4 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L225 V226 C231 E232 N233 E241 N244 F245 | L225-A229 WeakPolarHBondContact O-CB 3.47Å; L225-A229 PolarHBondContact O-N 3.03Å; V226-A229 PolarHBondContact O-N 2.76Å; A229-C231 VanDerWaalsContact C-N 3.33Å; A229-C231 PolarHBondContact O-N 3.29Å; A229-E232 PolarHBondContact O-N 3.2Å; A229-N233 PolarHBondContact O-N 3.06Å; A229-E241 HydrophobicContact CB-CG 4.32Å; A229-N244 HydrophobicContact CB-CB 3.74Å; A229-F245 HydrophobicContact CB-CD1 4.13Å; A229-F245 HydrophobicContact CB-CD2 3.78Å; A229-F245 HydrophobicContact CB-CE1 3.95Å; A229-F245 HydrophobicContact CB-CE2 3.59Å; A229-F245 HydrophobicContact CB-CG 4.04Å; A229-F245 HydrophobicContact CB-CZ 3.67Å |
| 230 | R | 91.5 | Very high | 91.4 | Very high | 125 Ų | 125 | 59.2 Ų | 59.2 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 175.1 | -71.7 | 172.8 | -179 | -177.3 | -0.3 | 113.1 | V226 Y227 A228 Q234 | V226-R230 WeakPolarHBondContact O-CG 3.32Å; V226-R230 PolarHBondContact O-N 2.96Å; V226-R230 VanDerWaalsContact O-N 3.09Å; Y227-R230 PolarHBondContact O-N 3.11Å; A228-R230 VanDerWaalsContact C-N 3.29Å; A228-R230 PolarHBondContact O-N 3.11Å; R230-Q234 PolarHBondContact O-N 3.49Å |
| 231 | C | 92.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.034 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 174.5 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | L198 Y227 A228 A229 N233 Q234 L235 | L198-C231 HydrophobicContact CB-CB 4.44Å; Y227-C231 PolarHBondContact O-N 3.1Å; Y227-C231 VanDerWaalsContact O-N 3.15Å; Y227-C231 PolarHBondContact O-SG 3.04Å; A228-C231 WeakPolarHBondContact O-CA 3.49Å; A228-C231 WeakPolarHBondContact O-CB 3.41Å; A228-C231 PolarHBondContact O-N 3.35Å; A229-C231 VanDerWaalsContact C-N 3.33Å; A229-C231 PolarHBondContact O-N 3.29Å; C231-N233 PolarHBondContact O-N 3.44Å; C231-Q234 PolarHBondContact O-N 3.15Å; C231-L235 WeakPolarHBondContact O-CG 3.17Å; C231-L235 PolarHBondContact O-N 2.96Å; C231-L235 VanDerWaalsContact O-N 3.11Å |
| 232 | E | 91.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 54 Ų | 54 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 177.3 | -63.6 | -57.3 | 161.4 | 0 | 0 | 112.9 | S202 A228 A229 Q234 L235 K236 N237 Q240 E241 | S202-E232 VanDerWaalsContact CB-OE1 3.22Å; S202-E232 WeakPolarHBondContact CB-OE1 3.27Å; S202-E232 PolarHBondContact OG-OE1 2.98Å; A228-E232 WeakPolarHBondContact O-CG 3.49Å; A228-E232 PolarHBondContact O-N 2.6Å; A229-E232 PolarHBondContact O-N 3.2Å; E232-Q234 VanDerWaalsContact C-N 3.31Å; E232-Q234 PolarHBondContact O-N 3.48Å; E232-L235 CarbonylContact O-C 3.46Å; E232-L235 WeakPolarHBondContact O-CA 3.37Å; E232-L235 WeakPolarHBondContact O-CB 3.26Å; E232-L235 PolarHBondContact O-N 3.2Å; E232-K236 PolarHBondContact O-N 3.35Å; E232-N237 HydrophobicContact CB-CB 4.12Å; E232-N237 PolarHBondContact O-N 3.47Å; E232-N237 WeakPolarHBondContact OE2-CB 3.45Å; E232-N237 PolarHBondContact OE2-ND2 3.03Å; E232-Q240 HydrophobicContact CG-CB 4.17Å; E232-Q240 HydrophobicContact CG-CG 3.99Å; E232-E241 HydrophobicContact CB-CB 4.08Å |
| 233 | N | 87.9 | Confident | 91 | Very high | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.444 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.4 | -47.6 | 174 | -177.4 | -78.6 | 0 | 0 | 0 | 111.5 | A229 C231 L235 K236 E241 | A229-N233 PolarHBondContact O-N 3.06Å; C231-N233 PolarHBondContact O-N 3.44Å; N233-L235 PolarHBondContact O-N 2.88Å; N233-K236 WeakPolarHBondContact O-CA 3.19Å; N233-K236 PolarHBondContact O-N 3.16Å; N233-E241 WeakPolarHBondContact CA-OE2 3.44Å; N233-E241 VanDerWaalsContact CB-CD 3.5Å; N233-E241 HydrophobicContact CB-CG 4.36Å; N233-E241 WeakPolarHBondContact CB-OE1 3.35Å; N233-E241 WeakPolarHBondContact CB-OE2 3.49Å; N233-E241 PolarHBondContact ND2-OE1 2.9Å; N233-E241 PolarHBondContact ND2-OE2 3.4Å |
| 234 | Q | 88.2 | Confident | 91 | Very high | 128 Ų | 128 | 54 Ų | 54 | 60% | 0.598 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -67.4 | -27.2 | 179.1 | -69.9 | -177.8 | 19.3 | 0 | 0 | 112.7 | L198 R230 C231 E232 K236 | L198-Q234 HydrophobicContact CD1-CB 3.58Å; R230-Q234 PolarHBondContact O-N 3.49Å; C231-Q234 PolarHBondContact O-N 3.15Å; E232-Q234 VanDerWaalsContact C-N 3.31Å; E232-Q234 PolarHBondContact O-N 3.48Å; Q234-K236 VanDerWaalsContact C-N 3.27Å |
| 235 | L | 89.1 | Confident | 91 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -80.4 | -7.1 | 171.8 | -67.5 | 170 | 0 | 0 | 0 | 113.2 | L198 C231 E232 N233 N237 | L198-L235 HydrophobicContact CB-CD1 4.04Å; L198-L235 HydrophobicContact CB-CD2 3.9Å; L198-L235 HydrophobicContact CB-CG 3.86Å; L198-L235 HydrophobicContact CD1-CD2 4.38Å; L198-L235 HydrophobicContact CD1-CG 4.48Å; C231-L235 WeakPolarHBondContact O-CG 3.17Å; C231-L235 PolarHBondContact O-N 2.96Å; C231-L235 VanDerWaalsContact O-N 3.11Å; E232-L235 CarbonylContact O-C 3.46Å; E232-L235 WeakPolarHBondContact O-CA 3.37Å; E232-L235 WeakPolarHBondContact O-CB 3.26Å; E232-L235 PolarHBondContact O-N 3.2Å; N233-L235 PolarHBondContact O-N 2.88Å; L235-N237 PolarHBondContact O-N 3.46Å |
| 236 | K | 86.6 | Confident | 90.8 | Very high | 177 Ų | 177 | 56.5 Ų | 56.5 | 77% | 0.77 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 25.9 | -172.3 | -52.6 | -177.6 | 176.8 | -175.4 | 0 | 114 | E232 N233 Q234 T238 | E232-K236 PolarHBondContact O-N 3.35Å; N233-K236 WeakPolarHBondContact O-CA 3.19Å; N233-K236 PolarHBondContact O-N 3.16Å; Q234-K236 VanDerWaalsContact C-N 3.27Å; K236-T238 VanDerWaalsContact C-N 3.33Å; K236-T238 PolarHBondContact O-N 3.27Å |
| 237 | N | 87 | Confident | 90.9 | Very high | 83 Ų | 83 | 59.7 Ų | 59.7 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | trans | -88.2 | 74.3 | 172.2 | -74.2 | -16.4 | 0 | 0 | 0 | 109.8 | E232 L235 E239 Q240 E241 | E232-N237 HydrophobicContact CB-CB 4.12Å; E232-N237 PolarHBondContact O-N 3.47Å; E232-N237 WeakPolarHBondContact OE2-CB 3.45Å; E232-N237 PolarHBondContact OE2-ND2 3.03Å; L235-N237 PolarHBondContact O-N 3.46Å; N237-E239 PolarHBondContact O-N 3.22Å; N237-Q240 HydrophobicContact CB-CB 4.48Å; N237-Q240 PolarHBondContact O-N 3Å; N237-E241 WeakPolarHBondContact O-CB 3.41Å; N237-E241 PolarHBondContact O-N 2.86Å | ||
| 238 | T | 85.1 | Confident | 90.9 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.6 | -33.9 | -169.6 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | K236 E241 A242 Y284 | K236-T238 VanDerWaalsContact C-N 3.33Å; K236-T238 PolarHBondContact O-N 3.27Å; T238-E241 WeakPolarHBondContact O-CB 3.49Å; T238-A242 WeakPolarHBondContact O-CB 3.29Å; T238-A242 PolarHBondContact O-N 3.24Å; T238-Y284 HydrophobicContact CG2-CD2 4.48Å; T238-Y284 HydrophobicContact CG2-CE2 4.39Å; T238-Y284 VanDerWaalsContact OG1-CE2 3.25Å; T238-Y284 WeakPolarHBondContact OG1-CE2 3.5Å |
| 239 | E | 87.9 | Confident | 90.8 | Very high | 149 Ų | 149 | 57.3 Ų | 57.3 | 70% | 0.696 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.6 | -48.2 | 175.4 | -173.1 | -177.7 | 177.5 | 0 | 0 | 111.7 | N237 A242 A243 | N237-E239 PolarHBondContact O-N 3.22Å; E239-A242 PolarHBondContact O-N 3.36Å; E239-A243 PolarHBondContact O-N 3.28Å |
| 240 | Q | 89.4 | Confident | 90.9 | Very high | 91 Ų | 91 | 63.3 Ų | 63.3 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70 | -36.1 | 179.8 | -167.4 | 62 | 41.1 | 0 | 0 | 111.7 | E232 N237 A243 N244 | E232-Q240 HydrophobicContact CG-CB 4.17Å; E232-Q240 HydrophobicContact CG-CG 3.99Å; N237-Q240 HydrophobicContact CB-CB 4.48Å; N237-Q240 PolarHBondContact O-N 3Å; Q240-A243 PolarHBondContact O-N 3.13Å; Q240-N244 PolarHBondContact NE2-OD1 3.34Å; Q240-N244 WeakPolarHBondContact O-CB 3.43Å; Q240-N244 VanDerWaalsContact O-CG 3.25Å; Q240-N244 PolarHBondContact O-N 3.4Å; Q240-N244 PolarHBondContact O-ND2 3.13Å |
| 241 | E | 90.4 | Very high | 91.1 | Very high | 26 Ų | 26 | 58.6 Ų | 58.6 | 12% | 0.121 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.2 | -52.4 | 169.9 | 174 | -175.9 | -173.1 | 0 | 0 | 110.8 | A229 E232 N233 N237 T238 A243 N244 F245 | A229-E241 HydrophobicContact CB-CG 4.32Å; E232-E241 HydrophobicContact CB-CB 4.08Å; N233-E241 WeakPolarHBondContact CA-OE2 3.44Å; N233-E241 VanDerWaalsContact CB-CD 3.5Å; N233-E241 HydrophobicContact CB-CG 4.36Å; N233-E241 WeakPolarHBondContact CB-OE1 3.35Å; N233-E241 WeakPolarHBondContact CB-OE2 3.49Å; N233-E241 PolarHBondContact ND2-OE1 2.9Å; N233-E241 PolarHBondContact ND2-OE2 3.4Å; N237-E241 WeakPolarHBondContact O-CB 3.41Å; N237-E241 PolarHBondContact O-N 2.86Å; T238-E241 WeakPolarHBondContact O-CB 3.49Å; E241-A243 PolarHBondContact O-N 3.37Å; E241-N244 PolarHBondContact O-N 2.91Å; E241-F245 HydrophobicContact CG-CD2 3.72Å; E241-F245 HydrophobicContact CG-CE2 3.55Å; E241-F245 VanDerWaalsContact O-CD2 3.29Å; E241-F245 WeakPolarHBondContact O-CD2 3.35Å; E241-F245 PolarHBondContact O-N 3.46Å |
| 242 | A | 89.5 | Confident | 91.1 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T238 E239 N244 F245 K246 Y284 | T238-A242 WeakPolarHBondContact O-CB 3.29Å; T238-A242 PolarHBondContact O-N 3.24Å; E239-A242 PolarHBondContact O-N 3.36Å; A242-N244 PolarHBondContact O-N 3.29Å; A242-F245 PolarHBondContact O-N 3.09Å; A242-K246 WeakPolarHBondContact O-CB 3.49Å; A242-K246 VanDerWaalsContact O-CG 3.32Å; A242-K246 WeakPolarHBondContact O-CG 3.36Å; A242-K246 PolarHBondContact O-N 3.25Å; A242-Y284 HydrophobicContact CB-CD1 3.39Å; A242-Y284 HydrophobicContact CB-CE1 4.08Å; A242-Y284 HydrophobicContact CB-CG 3.69Å |
| 243 | A | 92.1 | Very high | 91.1 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E239 Q240 E241 K246 K247 | E239-A243 PolarHBondContact O-N 3.28Å; Q240-A243 PolarHBondContact O-N 3.13Å; E241-A243 PolarHBondContact O-N 3.37Å; A243-K246 PolarHBondContact O-N 3.12Å; A243-K247 PolarHBondContact O-N 2.94Å |
| 244 | N | 93 | Very high | 91.4 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 177.7 | -73.2 | -20.6 | 0 | 0 | 0 | 111.6 | A229 Q240 E241 A242 K247 A248 | A229-N244 HydrophobicContact CB-CB 3.74Å; Q240-N244 PolarHBondContact NE2-OD1 3.34Å; Q240-N244 WeakPolarHBondContact O-CB 3.43Å; Q240-N244 VanDerWaalsContact O-CG 3.25Å; Q240-N244 PolarHBondContact O-N 3.4Å; Q240-N244 PolarHBondContact O-ND2 3.13Å; E241-N244 PolarHBondContact O-N 2.91Å; A242-N244 PolarHBondContact O-N 3.29Å; N244-K247 PolarHBondContact O-N 3.2Å; N244-A248 WeakPolarHBondContact O-CB 3.29Å; N244-A248 PolarHBondContact O-N 2.92Å |
| 245 | F | 94.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.2 | -80.3 | -55.3 | 0 | 0 | 0 | 112.9 | V226 A229 E241 A242 A248 A249 C277 A281 | V226-F245 HydrophobicContact CG1-CE1 4.29Å; V226-F245 HydrophobicContact CG2-CE1 4.46Å; A229-F245 HydrophobicContact CB-CD1 4.13Å; A229-F245 HydrophobicContact CB-CD2 3.78Å; A229-F245 HydrophobicContact CB-CE1 3.95Å; A229-F245 HydrophobicContact CB-CE2 3.59Å; A229-F245 HydrophobicContact CB-CG 4.04Å; A229-F245 HydrophobicContact CB-CZ 3.67Å; E241-F245 HydrophobicContact CG-CD2 3.72Å; E241-F245 HydrophobicContact CG-CE2 3.55Å; E241-F245 VanDerWaalsContact O-CD2 3.29Å; E241-F245 WeakPolarHBondContact O-CD2 3.35Å; E241-F245 PolarHBondContact O-N 3.46Å; A242-F245 PolarHBondContact O-N 3.09Å; F245-A248 PolarHBondContact O-N 3Å; F245-A249 WeakPolarHBondContact O-CB 3.34Å; F245-A249 PolarHBondContact O-N 3.18Å; F245-C277 HydrophobicContact CD1-CB 4.19Å; F245-A281 HydrophobicContact CB-CB 4.09Å |
| 246 | K | 93.5 | Very high | 91.5 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 18% | 0.183 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -49.7 | 175 | -76 | -176.4 | -80 | -153.9 | 0 | 111.1 | A242 A243 A249 R250 A281 E285 L312 | A242-K246 WeakPolarHBondContact O-CB 3.49Å; A242-K246 VanDerWaalsContact O-CG 3.32Å; A242-K246 WeakPolarHBondContact O-CG 3.36Å; A242-K246 PolarHBondContact O-N 3.25Å; A243-K246 PolarHBondContact O-N 3.12Å; K246-A249 PolarHBondContact O-N 3.26Å; K246-R250 PolarHBondContact O-N 3.14Å; K246-A281 HydrophobicContact CG-CB 3.7Å; K246-E285 IonicContact NZ-OE1 3.62Å; K246-E285 PolarHBondContact NZ-OE1 2.98Å; K246-L312 HydrophobicContact CD-CD1 4.05Å; K246-L312 HydrophobicContact CD-CD2 3.85Å; K246-L312 HydrophobicContact CG-CD1 4.36Å; K246-L312 HydrophobicContact CG-CD2 3.98Å |
| 247 | K | 95.1 | Very high | 91.7 | Very high | 79 Ų | 79 | 46.6 Ų | 46.6 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 177.8 | -170.9 | 177.5 | 178.7 | -168.5 | 0 | 111.3 | E213 E221 L225 A243 N244 A249 R250 L251 | E213-K247 IonicContact OE2-NZ 2.66Å; E213-K247 PolarHBondContact OE2-NZ 3.25Å; E221-K247 WeakPolarHBondContact OE1-CE 3.39Å; E221-K247 IonicContact OE1-NZ 3.9Å; E221-K247 PolarHBondContact OE1-NZ 2.73Å; L225-K247 HydrophobicContact CD1-CB 4.03Å; L225-K247 HydrophobicContact CD1-CD 3.71Å; L225-K247 HydrophobicContact CD1-CG 3.72Å; A243-K247 PolarHBondContact O-N 2.94Å; N244-K247 PolarHBondContact O-N 3.2Å; K247-A249 VanDerWaalsContact C-N 3.32Å; K247-A249 PolarHBondContact O-N 3.28Å; K247-R250 PolarHBondContact O-N 2.99Å; K247-L251 HydrophobicContact CG-CD1 4.12Å; K247-L251 WeakPolarHBondContact O-CG 3.4Å; K247-L251 PolarHBondContact O-N 3.4Å; K247-L251 VanDerWaalsContact O-N 3.13Å |
| 248 | A | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A222 L225 V226 N244 F245 R250 L251 F252 | A222-A248 HydrophobicContact CB-CB 4.38Å; L225-A248 HydrophobicContact CB-CB 4.04Å; V226-A248 HydrophobicContact CG2-CB 3.87Å; N244-A248 WeakPolarHBondContact O-CB 3.29Å; N244-A248 PolarHBondContact O-N 2.92Å; F245-A248 PolarHBondContact O-N 3Å; A248-R250 PolarHBondContact O-N 3.43Å; A248-L251 PolarHBondContact O-N 2.67Å; A248-F252 HydrophobicContact CB-CE2 4.49Å; A248-F252 WeakPolarHBondContact O-CD2 3.11Å; A248-F252 PolarHBondContact O-N 3.05Å |
| 249 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -46.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | F245 K246 K247 L251 F252 V253 C277 Y278 | F245-A249 WeakPolarHBondContact O-CB 3.34Å; F245-A249 PolarHBondContact O-N 3.18Å; K246-A249 PolarHBondContact O-N 3.26Å; K247-A249 VanDerWaalsContact C-N 3.32Å; K247-A249 PolarHBondContact O-N 3.28Å; A249-L251 PolarHBondContact O-N 3.23Å; A249-F252 PolarHBondContact O-N 3.47Å; A249-V253 WeakPolarHBondContact O-CG2 3.15Å; A249-V253 PolarHBondContact O-N 3.37Å; A249-C277 HydrophobicContact CB-CB 3.63Å; A249-Y278 HydrophobicContact CB-CD1 4.13Å; A249-Y278 HydrophobicContact CB-CD2 3.6Å; A249-Y278 HydrophobicContact CB-CE1 4.08Å; A249-Y278 HydrophobicContact CB-CE2 3.58Å; A249-Y278 HydrophobicContact CB-CG 3.88Å |
| 250 | R | 95 | Very high | 91.5 | Very high | 126 Ų | 126 | 40.2 Ų | 40.2 | 48% | 0.475 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61 | -43.4 | 177.4 | -70.2 | 172.9 | 177.4 | 162.5 | 2.8 | 112.3 | K246 K247 A248 V253 H254 E315 | K246-R250 PolarHBondContact O-N 3.14Å; K247-R250 PolarHBondContact O-N 2.99Å; A248-R250 PolarHBondContact O-N 3.43Å; R250-V253 PolarHBondContact O-N 3.31Å; R250-H254 WeakPolarHBondContact O-CB 3.42Å; R250-H254 PolarHBondContact O-N 2.92Å; R250-E315 WeakPolarHBondContact CG-OE1 3.35Å; R250-E315 IonicContact CZ-OE1 3Å; R250-E315 IonicContact CZ-OE2 2.75Å; R250-E315 IonicContact NE-OE1 3.93Å; R250-E315 PolarHBondContact NE-OE1 3.37Å; R250-E315 IonicContact NE-OE2 3.96Å; R250-E315 IonicContact NH2-OE1 3.03Å; R250-E315 PolarHBondContact NH2-OE1 3.4Å; R250-E315 IonicContact NH2-OE2 3.68Å; R250-E315 PolarHBondContact NH2-OE2 3.18Å |
| 251 | L | 95.2 | Very high | 91.4 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -40.9 | 177.6 | -71.1 | 165.4 | 0 | 0 | 0 | 112.3 | E221 A222 L225 K247 A248 A249 H254 H255 | E221-L251 HydrophobicContact CB-CD1 4.16Å; E221-L251 HydrophobicContact CG-CD1 3.62Å; E221-L251 WeakPolarHBondContact OE1-CD1 3.42Å; E221-L251 WeakPolarHBondContact OE2-CD2 3.41Å; A222-L251 HydrophobicContact CB-CB 3.72Å; A222-L251 HydrophobicContact CB-CD1 4.23Å; L225-L251 HydrophobicContact CD1-CD1 3.64Å; K247-L251 HydrophobicContact CG-CD1 4.12Å; K247-L251 WeakPolarHBondContact O-CG 3.4Å; K247-L251 PolarHBondContact O-N 3.4Å; K247-L251 VanDerWaalsContact O-N 3.13Å; A248-L251 PolarHBondContact O-N 2.67Å; A249-L251 PolarHBondContact O-N 3.23Å; L251-H254 PolarHBondContact O-N 3.11Å; L251-H255 WeakPolarHBondContact O-CB 3.42Å; L251-H255 PolarHBondContact O-N 3.43Å |
| 252 | F | 93.8 | Very high | 91.1 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.4 | -78.4 | -51.7 | 0 | 0 | 0 | 112.8 | A222 V226 A248 A249 E256 S270 A273 A274 | A222-F252 HydrophobicContact CB-CD1 3.77Å; A222-F252 HydrophobicContact CB-CD2 3.77Å; A222-F252 HydrophobicContact CB-CE1 3.59Å; A222-F252 HydrophobicContact CB-CE2 3.58Å; A222-F252 HydrophobicContact CB-CG 3.85Å; A222-F252 HydrophobicContact CB-CZ 3.48Å; A222-F252 VanDerWaalsContact CB-CZ 3.48Å; V226-F252 HydrophobicContact CG2-CE2 3.96Å; A248-F252 HydrophobicContact CB-CE2 4.49Å; A248-F252 WeakPolarHBondContact O-CD2 3.11Å; A248-F252 PolarHBondContact O-N 3.05Å; A249-F252 PolarHBondContact O-N 3.47Å; F252-E256 PolarHBondContact O-N 2.92Å; F252-S270 WeakPolarHBondContact CB-O 3.43Å; F252-A273 HydrophobicContact CD1-CB 4.1Å; F252-A273 HydrophobicContact CD2-CB 3.8Å; F252-A273 HydrophobicContact CE1-CB 4.09Å; F252-A273 HydrophobicContact CE2-CB 3.78Å; F252-A273 HydrophobicContact CG-CB 3.98Å; F252-A273 HydrophobicContact CZ-CB 3.93Å; F252-A274 HydrophobicContact CB-CB 3.72Å |
| 253 | V | 92.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -48.3 | 172.6 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | A249 R250 H255 E256 K257 A274 Y278 A319 | A249-V253 WeakPolarHBondContact O-CG2 3.15Å; A249-V253 PolarHBondContact O-N 3.37Å; R250-V253 PolarHBondContact O-N 3.31Å; V253-H255 VanDerWaalsContact C-N 3.33Å; V253-H255 PolarHBondContact O-N 3.42Å; V253-E256 PolarHBondContact O-N 3.02Å; V253-K257 HydrophobicContact CG1-CD 4.15Å; V253-K257 HydrophobicContact CG1-CG 4.42Å; V253-K257 WeakPolarHBondContact O-CG 3.46Å; V253-K257 PolarHBondContact O-N 3.24Å; V253-A274 HydrophobicContact CG2-CB 3.76Å; V253-Y278 HydrophobicContact CG2-CE2 4.11Å; V253-A319 HydrophobicContact CB-CB 4.45Å; V253-A319 HydrophobicContact CG1-CB 3.64Å; V253-A319 HydrophobicContact CG2-CB 3.92Å |
| 254 | H | 92.7 | Very high | 89.6 | Confident | 109 Ų | 109 | 51.9 Ų | 51.9 | 51% | 0.505 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.5 | -49.1 | 178.6 | 176.4 | -86.9 | 0 | 0 | 0 | 111.1 | R250 L251 E256 K257 S258 | R250-H254 WeakPolarHBondContact O-CB 3.42Å; R250-H254 PolarHBondContact O-N 2.92Å; L251-H254 PolarHBondContact O-N 3.11Å; H254-E256 VanDerWaalsContact C-N 3.32Å; H254-E256 PolarHBondContact O-N 3.3Å; H254-K257 WeakPolarHBondContact O-CB 3.43Å; H254-K257 PolarHBondContact O-N 3.13Å; H254-S258 PolarHBondContact CE1-OG 3.47Å; H254-S258 PolarHBondContact O-N 3.01Å; H254-S258 PolarHBondContact O-OG 3.25Å; H254-S258 VanDerWaalsContact O-OG 3.07Å |
| 255 | H | 90.8 | Very high | 88.4 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 177.3 | 177.5 | -107.5 | 0 | 0 | 0 | 112.8 | S218 L251 V253 S258 K259 S270 | S218-H255 WeakPolarHBondContact OG-CB 3.5Å; L251-H255 WeakPolarHBondContact O-CB 3.42Å; L251-H255 PolarHBondContact O-N 3.43Å; V253-H255 VanDerWaalsContact C-N 3.33Å; V253-H255 PolarHBondContact O-N 3.42Å; H255-S258 PolarHBondContact O-N 2.87Å; H255-K259 WeakPolarHBondContact CE1-CE 3.41Å; H255-K259 PolarHBondContact CE1-NZ 3.38Å; H255-K259 WeakPolarHBondContact NE2-CE 3.48Å; H255-K259 WeakPolarHBondContact O-CG 3.28Å; H255-K259 PolarHBondContact O-N 2.99Å; H255-K259 VanDerWaalsContact O-N 3.07Å; H255-S270 PolarHBondContact ND1-OG 2.95Å |
| 256 | E | 89.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 176.4 | -162.2 | 73.4 | -169.4 | 0 | 0 | 111.5 | F252 V253 H254 K259 C260 T266 R268 S270 L271 L323 | F252-E256 PolarHBondContact O-N 2.92Å; V253-E256 PolarHBondContact O-N 3.02Å; H254-E256 VanDerWaalsContact C-N 3.32Å; H254-E256 PolarHBondContact O-N 3.3Å; E256-K259 WeakPolarHBondContact O-CB 2.83Å; E256-K259 PolarHBondContact O-N 3.13Å; E256-C260 PolarHBondContact O-N 3.2Å; E256-C260 PolarHBondContact O-SG 3.09Å; E256-T266 WeakPolarHBondContact OE1-CB 3Å; E256-T266 PolarHBondContact OE1-OG1 3.12Å; E256-R268 VanDerWaalsContact OE1-CA 3.26Å; E256-R268 WeakPolarHBondContact OE1-CA 3.33Å; E256-S270 WeakPolarHBondContact OE2-CB 3.49Å; E256-S270 PolarHBondContact OE2-N 2.95Å; E256-S270 PolarHBondContact OE2-OG 3.29Å; E256-L271 HydrophobicContact CG-CB 4.11Å; E256-L271 PolarHBondContact OE2-N 2.86Å; E256-L323 HydrophobicContact CB-CD1 4.19Å; E256-L323 HydrophobicContact CB-CD2 4.18Å; E256-L323 HydrophobicContact CG-CD1 4.06Å; E256-L323 HydrophobicContact CG-CD2 3.92Å |
| 257 | K | 89.6 | Confident | 86.3 | Confident | 60 Ų | 60 | 59 Ų | 59 | 26% | 0.261 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 175.2 | -72.3 | 178.8 | 176.5 | -170.7 | 0 | 111.7 | V253 H254 K259 C260 N261 D322 L323 | V253-K257 HydrophobicContact CG1-CD 4.15Å; V253-K257 HydrophobicContact CG1-CG 4.42Å; V253-K257 WeakPolarHBondContact O-CG 3.46Å; V253-K257 PolarHBondContact O-N 3.24Å; H254-K257 WeakPolarHBondContact O-CB 3.43Å; H254-K257 PolarHBondContact O-N 3.13Å; K257-K259 VanDerWaalsContact C-N 3.26Å; K257-K259 PolarHBondContact O-N 3.38Å; K257-C260 PolarHBondContact O-N 2.62Å; K257-N261 WeakPolarHBondContact O-CB 3.34Å; K257-N261 VanDerWaalsContact O-CG 3.22Å; K257-N261 PolarHBondContact O-N 3.31Å; K257-N261 PolarHBondContact O-OD1 3.11Å; K257-D322 HydrophobicContact CD-CB 4.48Å; K257-D322 WeakPolarHBondContact CE-OD2 3.46Å; K257-D322 IonicContact NZ-OD2 3.29Å; K257-D322 PolarHBondContact NZ-OD2 3.46Å; K257-L323 HydrophobicContact CB-CD2 4.44Å; K257-L323 HydrophobicContact CG-CD2 3.72Å; K257-L323 HydrophobicContact CG-CG 4.24Å |
| 258 | S | 88.3 | Confident | 85.6 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.8 | -40.4 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | H254 H255 N261 L262 | H254-S258 PolarHBondContact CE1-OG 3.47Å; H254-S258 PolarHBondContact O-N 3.01Å; H254-S258 PolarHBondContact O-OG 3.25Å; H254-S258 VanDerWaalsContact O-OG 3.07Å; H255-S258 PolarHBondContact O-N 2.87Å; S258-N261 PolarHBondContact O-N 2.94Å; S258-L262 WeakPolarHBondContact O-CB 3.38Å; S258-L262 VanDerWaalsContact O-CG 3.26Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 3.31Å; S258-L262 VanDerWaalsContact O-N 3.09Å |
| 259 | K | 84.9 | Confident | 84.9 | Confident | 66 Ų | 66 | 69 Ų | 69 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 174.9 | -74.8 | -178.9 | 167.6 | -178.7 | 0 | 112.8 | H255 E256 K257 N261 L262 G263 L264 T266 | H255-K259 WeakPolarHBondContact CE1-CE 3.41Å; H255-K259 PolarHBondContact CE1-NZ 3.38Å; H255-K259 WeakPolarHBondContact NE2-CE 3.48Å; H255-K259 WeakPolarHBondContact O-CG 3.28Å; H255-K259 PolarHBondContact O-N 2.99Å; H255-K259 VanDerWaalsContact O-N 3.07Å; E256-K259 WeakPolarHBondContact O-CB 2.83Å; E256-K259 PolarHBondContact O-N 3.13Å; K257-K259 VanDerWaalsContact C-N 3.26Å; K257-K259 PolarHBondContact O-N 3.38Å; K259-N261 VanDerWaalsContact C-N 3.32Å; K259-N261 PolarHBondContact O-N 3.17Å; K259-L262 PolarHBondContact O-N 3.11Å; K259-G263 PolarHBondContact O-N 3.34Å; K259-L264 HydrophobicContact CB-CB 4.33Å; K259-L264 HydrophobicContact CG-CD1 4.33Å; K259-L264 PolarHBondContact O-N 3.09Å; K259-T266 HydrophobicContact CB-CG2 3.88Å |
| 260 | C | 83.8 | Confident | 84.5 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 175.8 | -72.3 | 0 | 0 | 0 | 0 | 111.4 | E256 K257 L262 G263 | E256-C260 PolarHBondContact O-N 3.2Å; E256-C260 PolarHBondContact O-SG 3.09Å; K257-C260 PolarHBondContact O-N 2.62Å; C260-L262 VanDerWaalsContact C-N 3.28Å; C260-L262 PolarHBondContact O-N 3.44Å; C260-G263 PolarHBondContact O-N 3.28Å |
| 261 | N | 86 | Confident | 84.2 | Confident | 140 Ų | 140 | 63.7 Ų | 63.7 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.3 | -32.8 | -180 | -68.8 | -6.9 | 0 | 0 | 0 | 112.8 | K257 S258 K259 G263 | K257-N261 WeakPolarHBondContact O-CB 3.34Å; K257-N261 VanDerWaalsContact O-CG 3.22Å; K257-N261 PolarHBondContact O-N 3.31Å; K257-N261 PolarHBondContact O-OD1 3.11Å; S258-N261 PolarHBondContact O-N 2.94Å; K259-N261 VanDerWaalsContact C-N 3.32Å; K259-N261 PolarHBondContact O-N 3.17Å; N261-G263 PolarHBondContact O-N 3.36Å |
| 262 | L | 84.1 | Confident | 83.8 | Confident | 130 Ų | 130 | 69.1 Ų | 69.1 | 68% | 0.681 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.8 | 175.9 | -67.1 | 171.2 | 0 | 0 | 0 | 113.2 | S258 K259 C260 L264 | S258-L262 WeakPolarHBondContact O-CB 3.38Å; S258-L262 VanDerWaalsContact O-CG 3.26Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 3.31Å; S258-L262 VanDerWaalsContact O-N 3.09Å; K259-L262 PolarHBondContact O-N 3.11Å; C260-L262 VanDerWaalsContact C-N 3.28Å; C260-L262 PolarHBondContact O-N 3.44Å; L262-L264 HydrophobicContact CB-CD1 4.1Å; L262-L264 HydrophobicContact CB-CG 3.95Å; L262-L264 HydrophobicContact CD1-CD1 4.18Å; L262-L264 PolarHBondContact O-N 2.91Å |
| 263 | G | 77.3 | Confident | 83.6 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 68% | 0.68 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 18.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K259 C260 N261 | K259-G263 PolarHBondContact O-N 3.34Å; C260-G263 PolarHBondContact O-N 3.28Å; N261-G263 PolarHBondContact O-N 3.36Å |
| 264 | L | 73.4 | Confident | 83.5 | Confident | 67 Ų | 67 | 69.1 Ų | 69.1 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | trans | -74.3 | 139.6 | 179.5 | -66.4 | 173.4 | 0 | 0 | 0 | 109.7 | K259 L262 T266 | K259-L264 HydrophobicContact CB-CB 4.33Å; K259-L264 HydrophobicContact CG-CD1 4.33Å; K259-L264 PolarHBondContact O-N 3.09Å; L262-L264 HydrophobicContact CB-CD1 4.1Å; L262-L264 HydrophobicContact CB-CG 3.95Å; L262-L264 HydrophobicContact CD1-CD1 4.18Å; L262-L264 PolarHBondContact O-N 2.91Å; L264-T266 WeakPolarHBondContact O-CG2 3.3Å; L264-T266 PolarHBondContact O-N 3.24Å | ||
| 265 | P | 68 | Low | 83.3 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | trans | -60.4 | 117.1 | 176.7 | 22 | -30.7 | 0 | 0 | 0 | 109.9 | ||||
| 266 | T | 68.2 | Low | 83.2 | Confident | 44 Ų | 44 | 67.7 Ų | 67.7 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | trans | -97.9 | 115.3 | -179.6 | 90 | 0 | 0 | 0 | 0 | 109.8 | E256 K259 L264 R268 | E256-T266 WeakPolarHBondContact OE1-CB 3Å; E256-T266 PolarHBondContact OE1-OG1 3.12Å; K259-T266 HydrophobicContact CB-CG2 3.88Å; L264-T266 WeakPolarHBondContact O-CG2 3.3Å; L264-T266 PolarHBondContact O-N 3.24Å; T266-R268 PolarHBondContact O-N 3.48Å | ||
| 267 | Q | 74.1 | Confident | 83.2 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | trans | -79 | 12.5 | 169.8 | -66.5 | 178.7 | 14.6 | 0 | 0 | 111.8 | C116 R269 | C116-Q267 PolarHBondContact SG-NE2 3.06Å; Q267-R269 HydrophobicContact CB-CG 4.04Å; Q267-R269 PolarHBondContact O-N 3.33Å | ||
| 268 | R | 80.6 | Confident | 83.3 | Confident | 124 Ų | 124 | 65.1 Ų | 65.1 | 47% | 0.468 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 51.6 | 21.8 | -176.8 | -64.1 | -176.7 | 173.1 | 179 | -6.2 | 114.8 | E256 T266 L271 F272 C325 | E256-R268 VanDerWaalsContact OE1-CA 3.26Å; E256-R268 WeakPolarHBondContact OE1-CA 3.33Å; T266-R268 PolarHBondContact O-N 3.48Å; R268-L271 HydrophobicContact CB-CB 4.24Å; R268-L271 HydrophobicContact CG-CD2 4.42Å; R268-L271 WeakPolarHBondContact O-CB 3.42Å; R268-L271 PolarHBondContact O-N 2.91Å; R268-F272 WeakPolarHBondContact O-CB 3.26Å; R268-F272 PolarHBondContact O-N 3.26Å; R268-C325 VanDerWaalsContact CZ-SG 3.52Å |
| 269 | R | 81.4 | Confident | 83.2 | Confident | 167 Ų | 167 | 70.5 Ų | 70.5 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.2 | -43.3 | -179.9 | -68.3 | -173.2 | -172.6 | -171.2 | 2.8 | 111.7 | Q267 L271 F272 A273 | Q267-R269 HydrophobicContact CB-CG 4.04Å; Q267-R269 PolarHBondContact O-N 3.33Å; R269-L271 VanDerWaalsContact C-N 3.34Å; R269-F272 PolarHBondContact O-N 3.25Å; R269-A273 PolarHBondContact O-N 2.89Å |
| 270 | S | 85.7 | Confident | 83.3 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68 | -39.3 | 176.8 | -11.3 | 0 | 0 | 0 | 0 | 109.9 | F252 H255 E256 F272 A273 A274 | F252-S270 WeakPolarHBondContact CB-O 3.43Å; H255-S270 PolarHBondContact ND1-OG 2.95Å; E256-S270 WeakPolarHBondContact OE2-CB 3.49Å; E256-S270 PolarHBondContact OE2-N 2.95Å; E256-S270 PolarHBondContact OE2-OG 3.29Å; S270-F272 PolarHBondContact O-N 2.99Å; S270-A273 WeakPolarHBondContact O-CB 3.45Å; S270-A273 PolarHBondContact O-N 3.11Å; S270-A274 WeakPolarHBondContact O-CB 3.44Å; S270-A274 PolarHBondContact O-N 3.37Å |
| 271 | L | 88 | Confident | 83.4 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 172.8 | -175.5 | 55.3 | 0 | 0 | 0 | 112.9 | E256 R268 R269 A273 A274 K275 L320 L323 | E256-L271 HydrophobicContact CG-CB 4.11Å; E256-L271 PolarHBondContact OE2-N 2.86Å; R268-L271 HydrophobicContact CB-CB 4.24Å; R268-L271 HydrophobicContact CG-CD2 4.42Å; R268-L271 WeakPolarHBondContact O-CB 3.42Å; R268-L271 PolarHBondContact O-N 2.91Å; R269-L271 VanDerWaalsContact C-N 3.34Å; L271-A273 VanDerWaalsContact C-N 3.34Å; L271-A273 PolarHBondContact O-N 3.4Å; L271-A274 WeakPolarHBondContact O-CB 3.23Å; L271-A274 PolarHBondContact O-N 2.98Å; L271-K275 WeakPolarHBondContact O-CG 3.43Å; L271-K275 PolarHBondContact O-N 3.21Å; L271-L320 HydrophobicContact CD1-CD2 3.79Å; L271-L320 HydrophobicContact CD2-CD2 4.06Å; L271-L320 HydrophobicContact CG-CD2 4.3Å; L271-L323 HydrophobicContact CD1-CD1 3.57Å; L271-L323 HydrophobicContact CD2-CD1 4.22Å; L271-L323 HydrophobicContact CG-CD1 4.36Å |
| 272 | F | 87.1 | Confident | 83.3 | Confident | 138 Ų | 138 | 60.4 Ų | 60.4 | 61% | 0.605 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 175.6 | -178.4 | -99.9 | 0 | 0 | 0 | 111.7 | R268 R269 S270 A274 K275 N276 | R268-F272 WeakPolarHBondContact O-CB 3.26Å; R268-F272 PolarHBondContact O-N 3.26Å; R269-F272 PolarHBondContact O-N 3.25Å; S270-F272 PolarHBondContact O-N 2.99Å; F272-A274 VanDerWaalsContact C-N 3.34Å; F272-A274 PolarHBondContact O-N 2.94Å; F272-K275 PolarHBondContact O-N 3.42Å; F272-N276 WeakPolarHBondContact CD1-ND2 3.44Å; F272-N276 WeakPolarHBondContact CE1-ND2 3.22Å; F272-N276 WeakPolarHBondContact CZ-ND2 3.44Å; F272-N276 PolarHBondContact O-N 3.23Å; F272-N276 VanDerWaalsContact O-N 3.12Å; F272-N276 PolarHBondContact O-ND2 3.12Å |
| 273 | A | 88.7 | Confident | 83.1 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F252 R269 S270 L271 N276 C277 | F252-A273 HydrophobicContact CD1-CB 4.1Å; F252-A273 HydrophobicContact CD2-CB 3.8Å; F252-A273 HydrophobicContact CE1-CB 4.09Å; F252-A273 HydrophobicContact CE2-CB 3.78Å; F252-A273 HydrophobicContact CG-CB 3.98Å; F252-A273 HydrophobicContact CZ-CB 3.93Å; R269-A273 PolarHBondContact O-N 2.89Å; S270-A273 WeakPolarHBondContact O-CB 3.45Å; S270-A273 PolarHBondContact O-N 3.11Å; L271-A273 VanDerWaalsContact C-N 3.34Å; L271-A273 PolarHBondContact O-N 3.4Å; A273-N276 PolarHBondContact O-N 2.91Å; A273-C277 PolarHBondContact O-N 2.93Å; A273-C277 PolarHBondContact O-SG 3.43Å |
| 274 | A | 91.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -50.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F252 V253 S270 L271 F272 N276 C277 Y278 | F252-A274 HydrophobicContact CB-CB 3.72Å; V253-A274 HydrophobicContact CG2-CB 3.76Å; S270-A274 WeakPolarHBondContact O-CB 3.44Å; S270-A274 PolarHBondContact O-N 3.37Å; L271-A274 WeakPolarHBondContact O-CB 3.23Å; L271-A274 PolarHBondContact O-N 2.98Å; F272-A274 VanDerWaalsContact C-N 3.34Å; F272-A274 PolarHBondContact O-N 2.94Å; A274-N276 VanDerWaalsContact C-N 3.27Å; A274-N276 PolarHBondContact O-N 3.44Å; A274-C277 PolarHBondContact O-N 3.35Å; A274-C277 VanDerWaalsContact O-N 3.07Å; A274-Y278 VanDerWaalsContact O-CD2 3.31Å; A274-Y278 WeakPolarHBondContact O-CD2 3.4Å; A274-Y278 PolarHBondContact O-N 3.18Å |
| 275 | K | 88.7 | Confident | 82.7 | Confident | 41 Ų | 41 | 60 Ų | 60 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.6 | -43.8 | 177.1 | -74.6 | -179.4 | 178.2 | -176.2 | 0 | 111.6 | L271 F272 Y278 K279 L316 D328 | L271-K275 WeakPolarHBondContact O-CG 3.43Å; L271-K275 PolarHBondContact O-N 3.21Å; F272-K275 PolarHBondContact O-N 3.42Å; K275-Y278 PolarHBondContact O-N 3.03Å; K275-K279 WeakPolarHBondContact O-CB 3.43Å; K275-K279 PolarHBondContact O-N 2.77Å; K275-L316 HydrophobicContact CG-CD1 4.15Å; K275-D328 IonicContact NZ-OD2 3.62Å; K275-D328 PolarHBondContact NZ-OD2 3.16Å |
| 276 | N | 88.9 | Confident | 82.6 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 177 | -71.5 | -34.8 | 0 | 0 | 0 | 112.5 | F272 A273 A274 K279 S280 | F272-N276 WeakPolarHBondContact CD1-ND2 3.44Å; F272-N276 WeakPolarHBondContact CE1-ND2 3.22Å; F272-N276 WeakPolarHBondContact CZ-ND2 3.44Å; F272-N276 PolarHBondContact O-N 3.23Å; F272-N276 VanDerWaalsContact O-N 3.12Å; F272-N276 PolarHBondContact O-ND2 3.12Å; A273-N276 PolarHBondContact O-N 2.91Å; A274-N276 VanDerWaalsContact C-N 3.27Å; A274-N276 PolarHBondContact O-N 3.44Å; N276-K279 PolarHBondContact O-N 2.66Å; N276-S280 PolarHBondContact O-N 2.63Å; N276-S280 PolarHBondContact O-OG 3.09Å |
| 277 | C | 88.8 | Confident | 81.9 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 176.9 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | V226 F245 A249 A273 A274 K279 S280 A281 | V226-C277 VanDerWaalsContact CG2-SG 3.6Å; F245-C277 HydrophobicContact CD1-CB 4.19Å; A249-C277 HydrophobicContact CB-CB 3.63Å; A273-C277 PolarHBondContact O-N 2.93Å; A273-C277 PolarHBondContact O-SG 3.43Å; A274-C277 PolarHBondContact O-N 3.35Å; A274-C277 VanDerWaalsContact O-N 3.07Å; C277-K279 VanDerWaalsContact C-N 3.34Å; C277-K279 PolarHBondContact O-N 2.94Å; C277-S280 PolarHBondContact O-N 3.4Å; C277-A281 PolarHBondContact O-N 3.49Å |
| 278 | Y | 90.9 | Very high | 80.9 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 173.4 | -83.4 | -66.9 | 0 | 0 | 0 | 111.7 | A249 V253 A274 K275 S280 A281 I282 L312 E315 L316 | A249-Y278 HydrophobicContact CB-CD1 4.13Å; A249-Y278 HydrophobicContact CB-CD2 3.6Å; A249-Y278 HydrophobicContact CB-CE1 4.08Å; A249-Y278 HydrophobicContact CB-CE2 3.58Å; A249-Y278 HydrophobicContact CB-CG 3.88Å; V253-Y278 HydrophobicContact CG2-CE2 4.11Å; A274-Y278 VanDerWaalsContact O-CD2 3.31Å; A274-Y278 WeakPolarHBondContact O-CD2 3.4Å; A274-Y278 PolarHBondContact O-N 3.18Å; K275-Y278 PolarHBondContact O-N 3.03Å; Y278-S280 VanDerWaalsContact C-N 3.32Å; Y278-S280 PolarHBondContact O-N 2.99Å; Y278-A281 PolarHBondContact O-N 3.49Å; Y278-I282 WeakPolarHBondContact O-CB 3.29Å; Y278-I282 WeakPolarHBondContact O-CD1 3.4Å; Y278-I282 WeakPolarHBondContact O-CG1 2.99Å; Y278-I282 PolarHBondContact O-N 3.42Å; Y278-L312 HydrophobicContact CD1-CD2 4.44Å; Y278-L312 HydrophobicContact CE1-CD2 4.3Å; Y278-E315 HydrophobicContact CE1-CG 4.48Å; Y278-E315 PolarHBondContact OH-OE1 2.97Å; Y278-L316 HydrophobicContact CD1-CB 4.32Å; Y278-L316 HydrophobicContact CD2-CB 3.98Å; Y278-L316 HydrophobicContact CD2-CD1 3.64Å; Y278-L316 HydrophobicContact CD2-CD2 4.32Å; Y278-L316 HydrophobicContact CD2-CG 4.18Å; Y278-L316 HydrophobicContact CE2-CB 4.2Å; Y278-L316 HydrophobicContact CE2-CD1 4.01Å; Y278-L316 HydrophobicContact CG-CB 4.04Å; Y278-L316 HydrophobicContact CG-CD1 4.37Å; Y278-L316 HydrophobicContact CG-CD2 4.28Å; Y278-L316 HydrophobicContact CG-CG 4.46Å |
| 279 | K | 87.7 | Confident | 79.1 | Confident | 153 Ų | 153 | 56.7 Ų | 56.7 | 67% | 0.665 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58 | -43.5 | 176.8 | -176 | 177.9 | 178.6 | 177.2 | 0 | 112.1 | K275 N276 C277 R283 | K275-K279 WeakPolarHBondContact O-CB 3.43Å; K275-K279 PolarHBondContact O-N 2.77Å; N276-K279 PolarHBondContact O-N 2.66Å; C277-K279 VanDerWaalsContact C-N 3.34Å; C277-K279 PolarHBondContact O-N 2.94Å; K279-R283 WeakPolarHBondContact O-CB 3.06Å; K279-R283 PolarHBondContact O-N 2.89Å |
| 280 | S | 85.8 | Confident | 77.4 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 33% | 0.329 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.3 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | N276 C277 Y278 R283 Y284 | N276-S280 PolarHBondContact O-N 2.63Å; N276-S280 PolarHBondContact O-OG 3.09Å; C277-S280 PolarHBondContact O-N 3.4Å; Y278-S280 VanDerWaalsContact C-N 3.32Å; Y278-S280 PolarHBondContact O-N 2.99Å; S280-R283 PolarHBondContact O-N 3.27Å; S280-Y284 PolarHBondContact O-N 3.01Å |
| 281 | A | 86.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | F245 K246 C277 Y278 R283 Y284 L312 | F245-A281 HydrophobicContact CB-CB 4.09Å; K246-A281 HydrophobicContact CG-CB 3.7Å; C277-A281 PolarHBondContact O-N 3.49Å; Y278-A281 PolarHBondContact O-N 3.49Å; A281-R283 VanDerWaalsContact C-N 3.33Å; A281-R283 PolarHBondContact O-N 3Å; A281-Y284 WeakPolarHBondContact O-CB 3.32Å; A281-Y284 PolarHBondContact O-N 3.37Å; A281-L312 HydrophobicContact CB-CD1 4.31Å |
| 282 | I | 84.7 | Confident | 73.3 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 179.2 | -69.3 | 164 | 0 | 0 | 0 | 111.2 | Y278 Y284 E285 Q286 A309 L312 Y313 | Y278-I282 WeakPolarHBondContact O-CB 3.29Å; Y278-I282 WeakPolarHBondContact O-CD1 3.4Å; Y278-I282 WeakPolarHBondContact O-CG1 2.99Å; Y278-I282 PolarHBondContact O-N 3.42Å; I282-Y284 PolarHBondContact O-N 3.02Å; I282-E285 PolarHBondContact O-N 3.22Å; I282-E285 VanDerWaalsContact O-N 3.08Å; I282-Q286 HydrophobicContact CG2-CG 4.2Å; I282-Q286 WeakPolarHBondContact O-CG 3.49Å; I282-Q286 PolarHBondContact O-N 3.39Å; I282-A309 HydrophobicContact CG2-CB 4.27Å; I282-L312 HydrophobicContact CD1-CB 4.05Å; I282-L312 HydrophobicContact CG1-CB 3.65Å; I282-L312 HydrophobicContact CG1-CD1 3.95Å; I282-L312 HydrophobicContact CG1-CG 4.49Å; I282-Y313 HydrophobicContact CD1-CD1 3.57Å; I282-Y313 HydrophobicContact CD1-CD2 4.15Å; I282-Y313 HydrophobicContact CD1-CE1 3.61Å; I282-Y313 HydrophobicContact CD1-CE2 4.18Å; I282-Y313 HydrophobicContact CD1-CG 3.86Å; I282-Y313 HydrophobicContact CG2-CD2 4.28Å; I282-Y313 HydrophobicContact CG2-CE1 4.47Å; I282-Y313 HydrophobicContact CG2-CE2 3.56Å |
| 283 | R | 80.1 | Confident | 71.2 | Confident | 177 Ų | 177 | 68.9 Ų | 68.9 | 67% | 0.668 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.1 | -37.4 | 177.5 | -175.9 | -178.1 | -179.5 | 178.9 | 2 | 111.8 | K279 S280 A281 Q286 C287 | K279-R283 WeakPolarHBondContact O-CB 3.06Å; K279-R283 PolarHBondContact O-N 2.89Å; S280-R283 PolarHBondContact O-N 3.27Å; A281-R283 VanDerWaalsContact C-N 3.33Å; A281-R283 PolarHBondContact O-N 3Å; R283-Q286 PolarHBondContact O-N 3.27Å; R283-C287 WeakPolarHBondContact O-CB 3.37Å; R283-C287 PolarHBondContact O-N 3.35Å |
| 284 | Y | 73.1 | Confident | 68.9 | Low | 62 Ų | 62 | 76.7 Ų | 76.7 | 24% | 0.243 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60 | -48.6 | 175.7 | 171.6 | -109.2 | 0 | 0 | 0 | 111.5 | T238 A242 S280 A281 I282 Q286 C287 | T238-Y284 HydrophobicContact CG2-CD2 4.48Å; T238-Y284 HydrophobicContact CG2-CE2 4.39Å; T238-Y284 VanDerWaalsContact OG1-CE2 3.25Å; T238-Y284 WeakPolarHBondContact OG1-CE2 3.5Å; A242-Y284 HydrophobicContact CB-CD1 3.39Å; A242-Y284 HydrophobicContact CB-CE1 4.08Å; A242-Y284 HydrophobicContact CB-CG 3.69Å; S280-Y284 PolarHBondContact O-N 3.01Å; A281-Y284 WeakPolarHBondContact O-CB 3.32Å; A281-Y284 PolarHBondContact O-N 3.37Å; I282-Y284 PolarHBondContact O-N 3.02Å; Y284-Q286 PolarHBondContact O-N 2.66Å; Y284-C287 PolarHBondContact O-N 2.92Å |
| 285 | E | 69.3 | Low | 66.6 | Low | 15 Ų | 15 | 84.6 Ų | 84.6 | 7% | 0.07 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66 | -24.2 | -179.9 | -49.9 | -69.9 | 173.3 | 0 | 0 | 111.9 | K246 I282 L308 A309 L312 | K246-E285 IonicContact NZ-OE1 3.62Å; K246-E285 PolarHBondContact NZ-OE1 2.98Å; I282-E285 PolarHBondContact O-N 3.22Å; I282-E285 VanDerWaalsContact O-N 3.08Å; E285-L308 HydrophobicContact CG-CB 4.36Å; E285-A309 HydrophobicContact CB-CB 3.91Å; E285-L312 HydrophobicContact CG-CD1 4.25Å |
| 286 | Q | 64.2 | Low | 64.5 | Low | 62 Ų | 62 | 87.7 Ų | 87.7 | 29% | 0.29 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -85.1 | -37.3 | 175.3 | -70.2 | 173.1 | -12.1 | 0 | 0 | 113.7 | I282 R283 Y284 M288 D289 Y313 F339 | I282-Q286 HydrophobicContact CG2-CG 4.2Å; I282-Q286 WeakPolarHBondContact O-CG 3.49Å; I282-Q286 PolarHBondContact O-N 3.39Å; R283-Q286 PolarHBondContact O-N 3.27Å; Y284-Q286 PolarHBondContact O-N 2.66Å; Q286-M288 PolarHBondContact O-N 2.62Å; Q286-M288 VanDerWaalsContact O-N 3.09Å; Q286-D289 PolarHBondContact O-N 3.28Å; Q286-Y313 PolarHBondContact NE2-OH 2.94Å; Q286-F339 HydrophobicContact CG-CE1 3.86Å; Q286-F339 HydrophobicContact CG-CZ 3.76Å |
| 287 | C | 55.1 | Low | 62.4 | Low | 74 Ų | 74 | 92.9 Ų | 92.9 | 50% | 0.5 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -5 | -166.7 | -162.1 | 0 | 0 | 0 | 0 | 114 | R283 Y284 D289 | R283-C287 WeakPolarHBondContact O-CB 3.37Å; R283-C287 PolarHBondContact O-N 3.35Å; Y284-C287 PolarHBondContact O-N 2.92Å; C287-D289 VanDerWaalsContact C-N 3.26Å; C287-D289 PolarHBondContact O-N 3.2Å |
| 288 | M | 51.7 | Low | 60.1 | Low | 62 Ų | 62 | 94.3 Ų | 94.3 | 31% | 0.305 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -14.1 | 173.5 | -95.6 | -84.8 | -90.5 | 0 | 0 | 113.3 | Q286 R298 I301 E305 | Q286-M288 PolarHBondContact O-N 2.62Å; Q286-M288 VanDerWaalsContact O-N 3.09Å; M288-R298 VanDerWaalsContact CE-CZ 3.49Å; M288-R298 PolarHBondContact O-NH2 3.4Å; M288-R298 PolarHBondContact SD-NH1 3.16Å; M288-R298 VanDerWaalsContact SD-NH1 3.42Å; M288-R298 PolarHBondContact SD-NH2 3.34Å; M288-I301 HydrophobicContact CE-CG2 4.48Å; M288-E305 WeakPolarHBondContact CB-OE2 3.47Å; M288-E305 WeakPolarHBondContact CE-OE1 3.47Å |
| 289 | D | 44.3 | Very low | 57.9 | Low | 73 Ų | 73 | 98.9 Ų | 98.9 | 39% | 0.39 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -73.8 | -27.5 | -179.3 | -95.7 | -18.7 | 0 | 0 | 0 | 113.7 | Q286 C287 N302 K306 | Q286-D289 PolarHBondContact O-N 3.28Å; C287-D289 VanDerWaalsContact C-N 3.26Å; C287-D289 PolarHBondContact O-N 3.2Å; D289-N302 PolarHBondContact OD1-ND2 3.44Å; D289-K306 WeakPolarHBondContact OD2-CE 3.31Å; D289-K306 IonicContact OD2-NZ 2.66Å |
| 290 | E | 44.5 | Very low | 55.5 | Low | 179 Ų | 179 | 98.6 Ų | 98.6 | 84% | 0.836 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -88 | -13.4 | -168.7 | -74.8 | -174.2 | 171.2 | 0 | 0 | 116.1 | ||
| 291 | L | 43.8 | Very low | 53.5 | Low | 149 Ų | 149 | 99.9 Ų | 99.9 | 78% | 0.78 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -114.4 | -4.9 | -170.8 | -149.3 | 74.2 | 0 | 0 | 0 | 116.1 | ||
| 292 | F | 44.3 | Very low | 51.8 | Low | 120 Ų | 120 | 101.5 Ų | 101.5 | 53% | 0.526 | 49% | 0.491 | S | S | . | . | trans | -144.2 | 43.1 | -166.1 | -101.2 | -88.6 | 0 | 0 | 0 | 115.3 | Y294 | F292-Y294 PolarHBondContact O-N 3.42Š| ||
| 293 | S | 42.1 | Very low | 50.4 | Low | 127 Ų | 127 | 107 Ų | 107 | 89% | 0.888 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 25.6 | 175.8 | -160.6 | 0 | 0 | 0 | 0 | 115 | ||
| 294 | Y | 41.6 | Very low | 49.5 | Very low | 190 Ų | 190 | 100 Ų | 100 | 75% | 0.745 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -6.8 | -171.9 | -159.1 | -100.6 | 0 | 0 | 0 | 116.6 | F292 | F292-Y294 PolarHBondContact O-N 3.42Š|
| 295 | Y | 42.6 | Very low | 49.3 | Very low | 165 Ų | 165 | 98.6 Ų | 98.6 | 65% | 0.647 | 49% | 0.491 | S | S | * | . | trans | -132.2 | 123.6 | 179.5 | -79.4 | -82.3 | 0 | 0 | 0 | 113.9 | F297 R298 | Y295-F297 PolarHBondContact O-N 3.39Å; Y295-F297 VanDerWaalsContact O-N 3.07Å; Y295-R298 PolarHBondContact O-N 3.21Å | ||
| 296 | S | 45.3 | Very low | 49.7 | Very low | 107 Ų | 107 | 101.1 Ų | 101.1 | 75% | 0.748 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.9 | -172.9 | -177.4 | 0 | 0 | 0 | 0 | 115.7 | R298 | S296-R298 VanDerWaalsContact C-N 3.26Å; S296-R298 PolarHBondContact O-N 3.14Å |
| 297 | F | 44 | Very low | 50.7 | Low | 177 Ų | 177 | 101.2 Ų | 101.2 | 78% | 0.776 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.8 | 176.5 | -164.8 | -103.6 | 0 | 0 | 0 | 113.2 | Y295 I299 I301 | Y295-F297 PolarHBondContact O-N 3.39Å; Y295-F297 VanDerWaalsContact O-N 3.07Å; F297-I299 PolarHBondContact O-N 2.96Å; F297-I301 HydrophobicContact CD1-CD1 4.32Å; F297-I301 HydrophobicContact CE1-CD1 4.41Å |
| 298 | R | 41.8 | Very low | 52.2 | Low | 36 Ų | 36 | 101.5 Ų | 101.5 | 14% | 0.136 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -81.8 | -5.4 | -175.7 | -78 | -171.3 | 64.6 | 161.5 | -8.7 | 115.7 | M288 Y295 S296 H300 I301 N302 | M288-R298 VanDerWaalsContact CE-CZ 3.49Å; M288-R298 PolarHBondContact O-NH2 3.4Å; M288-R298 PolarHBondContact SD-NH1 3.16Å; M288-R298 VanDerWaalsContact SD-NH1 3.42Å; M288-R298 PolarHBondContact SD-NH2 3.34Å; Y295-R298 PolarHBondContact O-N 3.21Å; S296-R298 VanDerWaalsContact C-N 3.26Å; S296-R298 PolarHBondContact O-N 3.14Å; R298-H300 VanDerWaalsContact C-N 3.26Å; R298-H300 PolarHBondContact O-N 3Å; R298-I301 PolarHBondContact O-N 3.39Å; R298-N302 PolarHBondContact NE-OD1 3.36Å; R298-N302 PolarHBondContact NH2-OD1 3.17Å; R298-N302 VanDerWaalsContact NH2-OD1 3.12Å; R298-N302 VanDerWaalsContact O-CB 3.3Å; R298-N302 WeakPolarHBondContact O-CB 3.42Å; R298-N302 PolarHBondContact O-N 2.97Å |
| 299 | I | 43.2 | Very low | 53.9 | Low | 99 Ų | 99 | 98.6 Ų | 98.6 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 178.8 | -62.7 | 175.3 | 0 | 0 | 0 | 111 | F297 R303 | F297-I299 PolarHBondContact O-N 2.96Å; I299-R303 VanDerWaalsContact O-CB 3.31Å; I299-R303 WeakPolarHBondContact O-CB 3.38Å; I299-R303 VanDerWaalsContact O-CG 3.28Å; I299-R303 WeakPolarHBondContact O-CG 3.2Å; I299-R303 PolarHBondContact O-N 3.49Å |
| 300 | H | 37.5 | Very low | 56.1 | Low | 148 Ų | 148 | 95.1 Ų | 95.1 | 69% | 0.685 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -74 | -36.4 | 176.8 | -69.3 | -67.6 | 0 | 0 | 0 | 113.1 | R298 G304 | R298-H300 VanDerWaalsContact C-N 3.26Å; R298-H300 PolarHBondContact O-N 3Å; H300-G304 PolarHBondContact O-N 3.08Å |
| 301 | I | 44.4 | Very low | 58.3 | Low | 73 Ų | 73 | 89.7 Ų | 89.7 | 37% | 0.374 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68 | -48.1 | 176.5 | -63.1 | 175.8 | 0 | 0 | 0 | 110.1 | M288 F297 R298 R303 G304 E305 | M288-I301 HydrophobicContact CE-CG2 4.48Å; F297-I301 HydrophobicContact CD1-CD1 4.32Å; F297-I301 HydrophobicContact CE1-CD1 4.41Å; R298-I301 PolarHBondContact O-N 3.39Å; I301-R303 VanDerWaalsContact C-N 3.33Å; I301-R303 PolarHBondContact O-N 2.7Å; I301-G304 PolarHBondContact O-N 3.19Å; I301-G304 VanDerWaalsContact O-N 3.12Å; I301-E305 HydrophobicContact CG2-CG 4.5Å; I301-E305 WeakPolarHBondContact CG2-OE1 3.4Å; I301-E305 WeakPolarHBondContact O-CG 3.3Å; I301-E305 PolarHBondContact O-N 2.69Å |
| 302 | N | 49.5 | Very low | 60.6 | Low | 34 Ų | 34 | 82.9 Ų | 82.9 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 175.8 | -78.3 | 27.5 | 0 | 0 | 0 | 111.9 | D289 R298 K306 | D289-N302 PolarHBondContact OD1-ND2 3.44Å; R298-N302 PolarHBondContact NE-OD1 3.36Å; R298-N302 PolarHBondContact NH2-OD1 3.17Å; R298-N302 VanDerWaalsContact NH2-OD1 3.12Å; R298-N302 VanDerWaalsContact O-CB 3.3Å; R298-N302 WeakPolarHBondContact O-CB 3.42Å; R298-N302 PolarHBondContact O-N 2.97Å; N302-K306 WeakPolarHBondContact O-CB 3.46Å; N302-K306 WeakPolarHBondContact O-CG 3.29Å; N302-K306 PolarHBondContact O-N 3.43Å |
| 303 | R | 55.7 | Low | 62.9 | Low | 118 Ų | 118 | 78.2 Ų | 78.2 | 45% | 0.445 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 172 | -83.7 | -178.1 | 175 | -176.2 | 0.2 | 111.6 | I299 I301 I307 | I299-R303 VanDerWaalsContact O-CB 3.31Å; I299-R303 WeakPolarHBondContact O-CB 3.38Å; I299-R303 VanDerWaalsContact O-CG 3.28Å; I299-R303 WeakPolarHBondContact O-CG 3.2Å; I299-R303 PolarHBondContact O-N 3.49Å; I301-R303 VanDerWaalsContact C-N 3.33Å; I301-R303 PolarHBondContact O-N 2.7Å; R303-I307 WeakPolarHBondContact O-CD1 3.5Å; R303-I307 WeakPolarHBondContact O-CG1 3.4Å; R303-I307 PolarHBondContact O-N 2.75Å; R303-I307 VanDerWaalsContact O-N 3.1Å |
| 304 | G | 62 | Low | 65.4 | Low | 31 Ų | 31 | 73.6 Ų | 73.6 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | H300 I301 I307 L308 | H300-G304 PolarHBondContact O-N 3.08Å; I301-G304 PolarHBondContact O-N 3.19Å; I301-G304 VanDerWaalsContact O-N 3.12Å; G304-I307 PolarHBondContact O-N 2.57Å; G304-L308 WeakPolarHBondContact O-CD1 3.37Å; G304-L308 PolarHBondContact O-N 3.37Å |
| 305 | E | 67.9 | Low | 67.8 | Low | 32 Ų | 32 | 67 Ų | 67 | 15% | 0.15 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.6 | -39.9 | -179.3 | -69.8 | 171.2 | 178.5 | 0 | 0 | 112.3 | M288 I301 L308 A309 | M288-E305 WeakPolarHBondContact CB-OE2 3.47Å; M288-E305 WeakPolarHBondContact CE-OE1 3.47Å; I301-E305 HydrophobicContact CG2-CG 4.5Å; I301-E305 WeakPolarHBondContact CG2-OE1 3.4Å; I301-E305 WeakPolarHBondContact O-CG 3.3Å; I301-E305 PolarHBondContact O-N 2.69Å; E305-L308 WeakPolarHBondContact O-CB 3.17Å; E305-L308 PolarHBondContact O-N 2.87Å; E305-A309 PolarHBondContact O-N 3.16Å |
| 306 | K | 78.4 | Confident | 70.2 | Confident | 68 Ų | 68 | 59.3 Ų | 59.3 | 30% | 0.296 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 173.1 | -74.3 | -178.3 | -178.2 | -174.6 | 0 | 112.5 | D289 N302 L308 A309 A310 F339 | D289-K306 WeakPolarHBondContact OD2-CE 3.31Å; D289-K306 IonicContact OD2-NZ 2.66Å; N302-K306 WeakPolarHBondContact O-CB 3.46Å; N302-K306 WeakPolarHBondContact O-CG 3.29Å; N302-K306 PolarHBondContact O-N 3.43Å; K306-L308 VanDerWaalsContact C-N 3.33Å; K306-L308 PolarHBondContact O-N 3.49Å; K306-A309 WeakPolarHBondContact O-CB 3.35Å; K306-A309 PolarHBondContact O-N 3.45Å; K306-A310 WeakPolarHBondContact O-CB 3.28Å; K306-A310 PolarHBondContact O-N 2.92Å; K306-F339 HydrophobicContact CB-CD1 4.31Å; K306-F339 HydrophobicContact CG-CD1 4.28Å |
| 307 | I | 85 | Confident | 72.6 | Confident | 64 Ų | 64 | 54.2 Ų | 54.2 | 33% | 0.328 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 175.8 | -70 | 165.7 | 0 | 0 | 0 | 110.2 | R303 G304 A309 A310 V311 F340 D343 | R303-I307 WeakPolarHBondContact O-CD1 3.5Å; R303-I307 WeakPolarHBondContact O-CG1 3.4Å; R303-I307 PolarHBondContact O-N 2.75Å; R303-I307 VanDerWaalsContact O-N 3.1Å; G304-I307 PolarHBondContact O-N 2.57Å; I307-A309 PolarHBondContact O-N 2.91Å; I307-A310 WeakPolarHBondContact O-CB 3.44Å; I307-A310 PolarHBondContact O-N 2.97Å; I307-V311 HydrophobicContact CG2-CG2 4.36Å; I307-V311 VanDerWaalsContact O-CG2 3.29Å; I307-V311 WeakPolarHBondContact O-CG2 3.37Å; I307-V311 PolarHBondContact O-N 2.9Å; I307-F340 HydrophobicContact CG2-CE1 4.17Å; I307-D343 HydrophobicContact CD1-CB 4.32Å; I307-D343 HydrophobicContact CG1-CB 4.31Å |
| 308 | L | 86.4 | Confident | 74.9 | Confident | 80 Ų | 80 | 51.6 Ų | 51.6 | 42% | 0.419 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.3 | -97.9 | 129.5 | 0 | 0 | 0 | 112.3 | E285 G304 E305 K306 A310 V311 L312 | E285-L308 HydrophobicContact CG-CB 4.36Å; G304-L308 WeakPolarHBondContact O-CD1 3.37Å; G304-L308 PolarHBondContact O-N 3.37Å; E305-L308 WeakPolarHBondContact O-CB 3.17Å; E305-L308 PolarHBondContact O-N 2.87Å; K306-L308 VanDerWaalsContact C-N 3.33Å; K306-L308 PolarHBondContact O-N 3.49Å; L308-A310 VanDerWaalsContact C-N 3.32Å; L308-A310 PolarHBondContact O-N 3.35Å; L308-V311 PolarHBondContact O-N 2.96Å; L308-L312 WeakPolarHBondContact O-CG 3.19Å; L308-L312 PolarHBondContact O-N 3.32Å; L308-L312 VanDerWaalsContact O-N 3.07Å |
| 309 | A | 87.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | I282 E285 E305 K306 I307 L312 Y313 F339 | I282-A309 HydrophobicContact CG2-CB 4.27Å; E285-A309 HydrophobicContact CB-CB 3.91Å; E305-A309 PolarHBondContact O-N 3.16Å; K306-A309 WeakPolarHBondContact O-CB 3.35Å; K306-A309 PolarHBondContact O-N 3.45Å; I307-A309 PolarHBondContact O-N 2.91Å; A309-L312 PolarHBondContact O-N 3.17Å; A309-Y313 WeakPolarHBondContact O-CD2 3.48Å; A309-Y313 PolarHBondContact O-N 2.9Å; A309-F339 HydrophobicContact CB-CD1 4.05Å; A309-F339 HydrophobicContact CB-CE1 4.35Å; A309-F339 HydrophobicContact CB-CG 4.42Å |
| 310 | A | 90.5 | Very high | 79.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K306 I307 L308 L312 Y313 Q314 F339 F340 | K306-A310 WeakPolarHBondContact O-CB 3.28Å; K306-A310 PolarHBondContact O-N 2.92Å; I307-A310 WeakPolarHBondContact O-CB 3.44Å; I307-A310 PolarHBondContact O-N 2.97Å; L308-A310 VanDerWaalsContact C-N 3.32Å; L308-A310 PolarHBondContact O-N 3.35Å; A310-L312 VanDerWaalsContact C-N 3.32Å; A310-L312 PolarHBondContact O-N 3.41Å; A310-Y313 PolarHBondContact O-N 2.9Å; A310-Q314 WeakPolarHBondContact O-CB 3.45Å; A310-Q314 PolarHBondContact O-N 3.2Å; A310-F339 HydrophobicContact CB-CB 3.56Å; A310-F340 HydrophobicContact CB-CD1 3.68Å; A310-F340 HydrophobicContact CB-CD2 3.52Å; A310-F340 HydrophobicContact CB-CE1 3.61Å; A310-F340 HydrophobicContact CB-CE2 3.42Å; A310-F340 VanDerWaalsContact CB-CE2 3.42Å; A310-F340 HydrophobicContact CB-CG 3.64Å; A310-F340 HydrophobicContact CB-CZ 3.48Å; A310-F340 VanDerWaalsContact CB-CZ 3.48Å |
| 311 | V | 91.8 | Very high | 82.2 | Confident | 66 Ų | 66 | 40 Ų | 40 | 40% | 0.4 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.1 | -41 | 177.1 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | I307 L308 Q314 E315 F340 | I307-V311 HydrophobicContact CG2-CG2 4.36Å; I307-V311 VanDerWaalsContact O-CG2 3.29Å; I307-V311 WeakPolarHBondContact O-CG2 3.37Å; I307-V311 PolarHBondContact O-N 2.9Å; L308-V311 PolarHBondContact O-N 2.96Å; V311-Q314 PolarHBondContact O-N 2.6Å; V311-E315 WeakPolarHBondContact O-CB 3.29Å; V311-E315 PolarHBondContact O-N 2.96Å; V311-F340 HydrophobicContact CG2-CE1 4.31Å; V311-F340 HydrophobicContact CG2-CZ 3.85Å |
| 312 | L | 91.2 | Very high | 84.3 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | 177.2 | -69.9 | 172 | 0 | 0 | 0 | 112.5 | K246 Y278 A281 I282 E285 L308 A309 A310 Q314 E315 L316 | K246-L312 HydrophobicContact CD-CD1 4.05Å; K246-L312 HydrophobicContact CD-CD2 3.85Å; K246-L312 HydrophobicContact CG-CD1 4.36Å; K246-L312 HydrophobicContact CG-CD2 3.98Å; Y278-L312 HydrophobicContact CD1-CD2 4.44Å; Y278-L312 HydrophobicContact CE1-CD2 4.3Å; A281-L312 HydrophobicContact CB-CD1 4.31Å; I282-L312 HydrophobicContact CD1-CB 4.05Å; I282-L312 HydrophobicContact CG1-CB 3.65Å; I282-L312 HydrophobicContact CG1-CD1 3.95Å; I282-L312 HydrophobicContact CG1-CG 4.49Å; E285-L312 HydrophobicContact CG-CD1 4.25Å; L308-L312 WeakPolarHBondContact O-CG 3.19Å; L308-L312 PolarHBondContact O-N 3.32Å; L308-L312 VanDerWaalsContact O-N 3.07Å; A309-L312 PolarHBondContact O-N 3.17Å; A310-L312 VanDerWaalsContact C-N 3.32Å; A310-L312 PolarHBondContact O-N 3.41Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-E315 PolarHBondContact O-N 2.8Å; L312-L316 WeakPolarHBondContact O-CB 3.35Å; L312-L316 PolarHBondContact O-N 3.38Å |
| 313 | Y | 93.4 | Very high | 86.1 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 172 | -83.5 | -57.1 | 0 | 0 | 0 | 111.5 | I282 Q286 A309 A310 L316 A317 Y332 R335 F339 | I282-Y313 HydrophobicContact CD1-CD1 3.57Å; I282-Y313 HydrophobicContact CD1-CD2 4.15Å; I282-Y313 HydrophobicContact CD1-CE1 3.61Å; I282-Y313 HydrophobicContact CD1-CE2 4.18Å; I282-Y313 HydrophobicContact CD1-CG 3.86Å; I282-Y313 HydrophobicContact CG2-CD2 4.28Å; I282-Y313 HydrophobicContact CG2-CE1 4.47Å; I282-Y313 HydrophobicContact CG2-CE2 3.56Å; Q286-Y313 PolarHBondContact NE2-OH 2.94Å; A309-Y313 WeakPolarHBondContact O-CD2 3.48Å; A309-Y313 PolarHBondContact O-N 2.9Å; A310-Y313 PolarHBondContact O-N 2.9Å; Y313-L316 PolarHBondContact O-N 3.47Å; Y313-A317 WeakPolarHBondContact O-CB 3.39Å; Y313-A317 PolarHBondContact O-N 2.87Å; Y313-Y332 AromaticContact CD1-CD1 3.68Å; Y313-Y332 HydrophobicContact CD1-CD1 3.68Å; Y313-Y332 HydrophobicContact CD1-CE1 4.42Å; Y313-Y332 AromaticContact CE1-CD1 3.93Å; Y313-Y332 HydrophobicContact CE1-CD1 3.93Å; Y313-Y332 HydrophobicContact CE1-CE1 4.29Å; Y313-R335 HydrophobicContact CD1-CB 4.17Å; Y313-R335 HydrophobicContact CD2-CB 4.2Å; Y313-R335 HydrophobicContact CE1-CB 4.16Å; Y313-R335 HydrophobicContact CE2-CB 4.19Å; Y313-R335 HydrophobicContact CG-CB 4.19Å; Y313-F339 HydrophobicContact CD2-CD2 4.03Å; Y313-F339 HydrophobicContact CD2-CE2 4.37Å; Y313-F339 AromaticContact CE2-CD2 3.8Å; Y313-F339 HydrophobicContact CE2-CD2 3.8Å; Y313-F339 AromaticContact CE2-CE2 3.67Å; Y313-F339 HydrophobicContact CE2-CE2 3.67Å |
| 314 | Q | 93.3 | Very high | 87.6 | Confident | 29 Ų | 29 | 40 Ų | 40 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 177.8 | -161.3 | -177.1 | 22.4 | 0 | 0 | 111.8 | A310 V311 L312 A317 R318 F333 A336 T350 | A310-Q314 WeakPolarHBondContact O-CB 3.45Å; A310-Q314 PolarHBondContact O-N 3.2Å; V311-Q314 PolarHBondContact O-N 2.6Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; Q314-A317 PolarHBondContact O-N 2.95Å; Q314-R318 VanDerWaalsContact O-CG 3.32Å; Q314-R318 WeakPolarHBondContact O-CG 3.48Å; Q314-R318 PolarHBondContact O-N 3.03Å; Q314-F333 HydrophobicContact CG-CD1 4.27Å; Q314-F333 HydrophobicContact CG-CE1 3.94Å; Q314-A336 HydrophobicContact CB-CB 4.33Å; Q314-T350 PolarHBondContact NE2-OG1 2.96Å |
| 315 | E | 93.3 | Very high | 88.9 | Confident | 53 Ų | 53 | 38.9 Ų | 38.9 | 25% | 0.248 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 175.2 | -171.9 | -179.4 | 170.8 | 0 | 0 | 111.2 | R250 Y278 V311 L312 R318 A319 | R250-E315 WeakPolarHBondContact CG-OE1 3.35Å; R250-E315 IonicContact CZ-OE1 3Å; R250-E315 IonicContact CZ-OE2 2.75Å; R250-E315 IonicContact NE-OE1 3.93Å; R250-E315 PolarHBondContact NE-OE1 3.37Å; R250-E315 IonicContact NE-OE2 3.96Å; R250-E315 IonicContact NH2-OE1 3.03Å; R250-E315 PolarHBondContact NH2-OE1 3.4Å; R250-E315 IonicContact NH2-OE2 3.68Å; R250-E315 PolarHBondContact NH2-OE2 3.18Å; Y278-E315 HydrophobicContact CE1-CG 4.48Å; Y278-E315 PolarHBondContact OH-OE1 2.97Å; V311-E315 WeakPolarHBondContact O-CB 3.29Å; V311-E315 PolarHBondContact O-N 2.96Å; L312-E315 PolarHBondContact O-N 2.8Å; E315-R318 PolarHBondContact O-N 2.91Å; E315-A319 WeakPolarHBondContact O-CB 3.4Å; E315-A319 PolarHBondContact O-N 3.27Å |
| 316 | L | 92.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -44.8 | 174.8 | 171.6 | 58.5 | 0 | 0 | 0 | 111.7 | K275 Y278 L312 Y313 R318 A319 L320 Y332 | K275-L316 HydrophobicContact CG-CD1 4.15Å; Y278-L316 HydrophobicContact CD1-CB 4.32Å; Y278-L316 HydrophobicContact CD2-CB 3.98Å; Y278-L316 HydrophobicContact CD2-CD1 3.64Å; Y278-L316 HydrophobicContact CD2-CD2 4.32Å; Y278-L316 HydrophobicContact CD2-CG 4.18Å; Y278-L316 HydrophobicContact CE2-CB 4.2Å; Y278-L316 HydrophobicContact CE2-CD1 4.01Å; Y278-L316 HydrophobicContact CG-CB 4.04Å; Y278-L316 HydrophobicContact CG-CD1 4.37Å; Y278-L316 HydrophobicContact CG-CD2 4.28Å; Y278-L316 HydrophobicContact CG-CG 4.46Å; L312-L316 WeakPolarHBondContact O-CB 3.35Å; L312-L316 PolarHBondContact O-N 3.38Å; Y313-L316 PolarHBondContact O-N 3.47Å; L316-R318 VanDerWaalsContact C-N 3.34Å; L316-R318 PolarHBondContact O-N 3.19Å; L316-A319 WeakPolarHBondContact O-CB 3.34Å; L316-A319 PolarHBondContact O-N 3.07Å; L316-L320 HydrophobicContact CD1-CD1 4.06Å; L316-L320 HydrophobicContact CD1-CG 4.14Å; L316-L320 HydrophobicContact CG-CD1 4.09Å; L316-L320 WeakPolarHBondContact O-CG 3.48Å; L316-L320 PolarHBondContact O-N 3.31Å; L316-Y332 HydrophobicContact CD2-CD1 3.74Å; L316-Y332 HydrophobicContact CD2-CD2 4.2Å; L316-Y332 HydrophobicContact CD2-CE1 3.54Å; L316-Y332 HydrophobicContact CD2-CE2 4.09Å; L316-Y332 HydrophobicContact CD2-CG 4.04Å; L316-Y332 HydrophobicContact CG-CD1 4.48Å; L316-Y332 HydrophobicContact CG-CD2 4.32Å; L316-Y332 HydrophobicContact CG-CE2 4.5Å; L316-Y332 HydrophobicContact CG-CG 4.32Å |
| 317 | A | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y313 Q314 L320 L321 A329 F333 | Y313-A317 WeakPolarHBondContact O-CB 3.39Å; Y313-A317 PolarHBondContact O-N 2.87Å; Q314-A317 PolarHBondContact O-N 2.95Å; A317-L320 WeakPolarHBondContact O-CB 3.29Å; A317-L320 PolarHBondContact O-N 3.35Å; A317-L321 PolarHBondContact O-N 3.41Å; A317-L321 VanDerWaalsContact O-N 3.08Å; A317-A329 WeakPolarHBondContact O-CB 3.37Å; A317-F333 HydrophobicContact CB-CD1 3.68Å; A317-F333 HydrophobicContact CB-CD2 3.78Å; A317-F333 HydrophobicContact CB-CE1 3.54Å; A317-F333 HydrophobicContact CB-CE2 3.61Å; A317-F333 HydrophobicContact CB-CG 3.8Å; A317-F333 HydrophobicContact CB-CZ 3.5Å; A317-F333 VanDerWaalsContact CB-CZ 3.5Å |
| 318 | R | 93.2 | Very high | 90.9 | Very high | 122 Ų | 122 | 45.3 Ų | 45.3 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.4 | -70.1 | 176.6 | 69.2 | 165.7 | 3.5 | 112.3 | Q314 E315 L316 L320 L321 D322 F333 | Q314-R318 VanDerWaalsContact O-CG 3.32Å; Q314-R318 WeakPolarHBondContact O-CG 3.48Å; Q314-R318 PolarHBondContact O-N 3.03Å; E315-R318 PolarHBondContact O-N 2.91Å; L316-R318 VanDerWaalsContact C-N 3.34Å; L316-R318 PolarHBondContact O-N 3.19Å; R318-L320 PolarHBondContact O-N 3.42Å; R318-L321 WeakPolarHBondContact O-CB 3.4Å; R318-L321 PolarHBondContact O-N 2.91Å; R318-L321 VanDerWaalsContact O-N 3.11Å; R318-D322 PolarHBondContact O-N 3.5Å; R318-D322 VanDerWaalsContact O-N 3.1Å; R318-F333 HydrophobicContact CG-CE1 4.31Å; R318-F333 HydrophobicContact CG-CZ 4.09Å |
| 319 | A | 91.2 | Very high | 91.3 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.4 | -34 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V253 E315 L316 L323 | V253-A319 HydrophobicContact CB-CB 4.45Å; V253-A319 HydrophobicContact CG1-CB 3.64Å; V253-A319 HydrophobicContact CG2-CB 3.92Å; E315-A319 WeakPolarHBondContact O-CB 3.4Å; E315-A319 PolarHBondContact O-N 3.27Å; L316-A319 WeakPolarHBondContact O-CB 3.34Å; L316-A319 PolarHBondContact O-N 3.07Å; A319-L323 WeakPolarHBondContact O-CG 3.41Å; A319-L323 PolarHBondContact O-N 2.89Å |
| 320 | L | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.1 | -36.1 | 175.3 | -71.5 | 165.1 | 0 | 0 | 0 | 112.5 | L271 L316 A317 R318 L323 N324 C325 D328 A329 Y332 | L271-L320 HydrophobicContact CD1-CD2 3.79Å; L271-L320 HydrophobicContact CD2-CD2 4.06Å; L271-L320 HydrophobicContact CG-CD2 4.3Å; L316-L320 HydrophobicContact CD1-CD1 4.06Å; L316-L320 HydrophobicContact CD1-CG 4.14Å; L316-L320 HydrophobicContact CG-CD1 4.09Å; L316-L320 WeakPolarHBondContact O-CG 3.48Å; L316-L320 PolarHBondContact O-N 3.31Å; A317-L320 WeakPolarHBondContact O-CB 3.29Å; A317-L320 PolarHBondContact O-N 3.35Å; R318-L320 PolarHBondContact O-N 3.42Å; L320-L323 CarbonylContact O-C 3.56Å; L320-L323 PolarHBondContact O-N 3.48Å; L320-L323 VanDerWaalsContact O-N 3.15Å; L320-N324 PolarHBondContact O-N 3.3Å; L320-C325 HydrophobicContact CB-CB 4.1Å; L320-C325 HydrophobicContact CD2-CB 3.88Å; L320-C325 WeakPolarHBondContact O-CB 3.38Å; L320-C325 PolarHBondContact O-N 3.33Å; L320-D328 HydrophobicContact CD1-CB 4.03Å; L320-A329 HydrophobicContact CB-CB 4.01Å; L320-Y332 HydrophobicContact CD1-CD2 3.35Å; L320-Y332 HydrophobicContact CD1-CE2 3.57Å; L320-Y332 HydrophobicContact CD1-CG 4.44Å |
| 321 | L | 91.5 | Very high | 91.7 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 173.4 | -65 | -179.3 | 0 | 0 | 0 | 111.5 | A317 R318 L323 N324 E326 A329 F333 W353 V357 | A317-L321 PolarHBondContact O-N 3.41Å; A317-L321 VanDerWaalsContact O-N 3.08Å; R318-L321 WeakPolarHBondContact O-CB 3.4Å; R318-L321 PolarHBondContact O-N 2.91Å; R318-L321 VanDerWaalsContact O-N 3.11Å; L321-L323 PolarHBondContact O-N 2.91Å; L321-N324 PolarHBondContact O-N 3.02Å; L321-E326 HydrophobicContact CD2-CB 4.38Å; L321-E326 HydrophobicContact CD2-CG 4.19Å; L321-A329 HydrophobicContact CD2-CB 3.57Å; L321-A329 HydrophobicContact CG-CB 3.94Å; L321-F333 HydrophobicContact CD1-CE2 3.86Å; L321-F333 HydrophobicContact CD1-CZ 3.98Å; L321-F333 HydrophobicContact CG-CE2 4.32Å; L321-W353 HydrophobicContact CD1-CE3 4.02Å; L321-W353 HydrophobicContact CD1-CZ3 4.16Å; L321-V357 HydrophobicContact CD1-CG2 3.66Å; L321-V357 HydrophobicContact CD2-CB 4.36Å; L321-V357 HydrophobicContact CD2-CG1 3.85Å; L321-V357 HydrophobicContact CD2-CG2 3.48Å; L321-V357 VanDerWaalsContact CD2-CG2 3.48Å; L321-V357 HydrophobicContact CG-CG2 4.16Å |
| 322 | D | 88.9 | Confident | 91.8 | Very high | 101 Ų | 101 | 45.7 Ų | 45.7 | 54% | 0.54 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14.2 | 177 | -62.4 | -26.8 | 0 | 0 | 0 | 113.3 | K257 R318 | K257-D322 HydrophobicContact CD-CB 4.48Å; K257-D322 WeakPolarHBondContact CE-OD2 3.46Å; K257-D322 IonicContact NZ-OD2 3.29Å; K257-D322 PolarHBondContact NZ-OD2 3.46Å; R318-D322 PolarHBondContact O-N 3.5Å; R318-D322 VanDerWaalsContact O-N 3.1Å |
| 323 | L | 87.8 | Confident | 92 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 15.5 | 178 | -66.8 | 171.8 | 0 | 0 | 0 | 112.6 | E256 K257 L271 A319 L320 L321 C325 | E256-L323 HydrophobicContact CB-CD1 4.19Å; E256-L323 HydrophobicContact CB-CD2 4.18Å; E256-L323 HydrophobicContact CG-CD1 4.06Å; E256-L323 HydrophobicContact CG-CD2 3.92Å; K257-L323 HydrophobicContact CB-CD2 4.44Å; K257-L323 HydrophobicContact CG-CD2 3.72Å; K257-L323 HydrophobicContact CG-CG 4.24Å; L271-L323 HydrophobicContact CD1-CD1 3.57Å; L271-L323 HydrophobicContact CD2-CD1 4.22Å; L271-L323 HydrophobicContact CG-CD1 4.36Å; A319-L323 WeakPolarHBondContact O-CG 3.41Å; A319-L323 PolarHBondContact O-N 2.89Å; L320-L323 CarbonylContact O-C 3.56Å; L320-L323 PolarHBondContact O-N 3.48Å; L320-L323 VanDerWaalsContact O-N 3.15Å; L321-L323 PolarHBondContact O-N 2.91Å; L323-C325 VanDerWaalsContact C-N 3.31Å; L323-C325 PolarHBondContact O-N 2.98Å; L323-C325 PolarHBondContact O-SG 3.26Å; L323-C325 VanDerWaalsContact O-SG 3.36Å |
| 324 | N | 87.7 | Confident | 92 | Very high | 116 Ų | 116 | 47 Ų | 47 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 47 | -179.3 | -53.9 | -38.2 | 0 | 0 | 0 | 112.4 | L320 L321 | L320-N324 PolarHBondContact O-N 3.3Å; L321-N324 PolarHBondContact O-N 3.02Å |
| 325 | C | 89.2 | Confident | 91.9 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | trans | -118.9 | 55.7 | 176.5 | -64.2 | 0 | 0 | 0 | 0 | 110.1 | R268 L320 L323 Y327 D328 A329 | R268-C325 VanDerWaalsContact CZ-SG 3.52Å; L320-C325 HydrophobicContact CB-CB 4.1Å; L320-C325 HydrophobicContact CD2-CB 3.88Å; L320-C325 WeakPolarHBondContact O-CB 3.38Å; L320-C325 PolarHBondContact O-N 3.33Å; L323-C325 VanDerWaalsContact C-N 3.31Å; L323-C325 PolarHBondContact O-N 2.98Å; L323-C325 PolarHBondContact O-SG 3.26Å; L323-C325 VanDerWaalsContact O-SG 3.36Å; C325-Y327 PolarHBondContact O-N 3.43Å; C325-D328 PolarHBondContact O-N 3.36Å; C325-A329 PolarHBondContact O-N 3.36Å; C325-A329 VanDerWaalsContact O-N 3.12Å | ||
| 326 | E | 92 | Very high | 91.8 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.8 | -41.3 | -169 | -57.8 | 88.9 | 165.1 | 0 | 0 | 112.8 | L321 D328 A329 V330 V357 L361 | L321-E326 HydrophobicContact CD2-CB 4.38Å; L321-E326 HydrophobicContact CD2-CG 4.19Å; E326-D328 VanDerWaalsContact C-N 3.33Å; E326-D328 PolarHBondContact O-N 3.38Å; E326-A329 WeakPolarHBondContact O-CB 3.3Å; E326-A329 PolarHBondContact O-N 2.98Å; E326-A329 VanDerWaalsContact O-N 3.13Å; E326-V330 PolarHBondContact O-N 2.9Å; E326-V330 VanDerWaalsContact O-N 3.16Å; E326-V357 HydrophobicContact CB-CG1 3.82Å; E326-V357 WeakPolarHBondContact O-CG1 3.35Å; E326-L361 HydrophobicContact CB-CD1 4.06Å; E326-L361 HydrophobicContact CB-CD2 3.71Å; E326-L361 HydrophobicContact CB-CG 3.96Å; E326-L361 HydrophobicContact CG-CD2 4.49Å |
| 327 | Y | 90.8 | Very high | 91.9 | Very high | 176 Ų | 176 | 47.6 Ų | 47.6 | 69% | 0.69 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.5 | -43.3 | 178.6 | -71.7 | -80.7 | 0 | 0 | 0 | 112.4 | C325 A329 L361 | C325-Y327 PolarHBondContact O-N 3.43Å; Y327-A329 VanDerWaalsContact C-N 3.34Å; Y327-L361 HydrophobicContact CD1-CD1 3.93Å; Y327-L361 HydrophobicContact CD1-CD2 4.37Å; Y327-L361 HydrophobicContact CD2-CD2 3.93Å; Y327-L361 HydrophobicContact CE1-CD1 4.1Å; Y327-L361 HydrophobicContact CE1-CD2 4.05Å; Y327-L361 HydrophobicContact CE2-CD2 3.56Å; Y327-L361 HydrophobicContact CG-CD1 4.22Å; Y327-L361 HydrophobicContact CG-CD2 4.32Å |
| 328 | D | 89.7 | Confident | 91.7 | Very high | 60 Ų | 60 | 51.6 Ų | 51.6 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.8 | -38.1 | 176.8 | -69.1 | -20.8 | 0 | 0 | 0 | 110.7 | K275 L320 C325 E326 V330 E331 Y332 | K275-D328 IonicContact NZ-OD2 3.62Å; K275-D328 PolarHBondContact NZ-OD2 3.16Å; L320-D328 HydrophobicContact CD1-CB 4.03Å; C325-D328 PolarHBondContact O-N 3.36Å; E326-D328 VanDerWaalsContact C-N 3.33Å; E326-D328 PolarHBondContact O-N 3.38Å; D328-V330 VanDerWaalsContact C-N 3.31Å; D328-V330 PolarHBondContact O-N 3Å; D328-E331 PolarHBondContact O-N 3.16Å; D328-Y332 WeakPolarHBondContact O-CD2 3.27Å; D328-Y332 PolarHBondContact O-N 2.92Å |
| 329 | A | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -39 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A317 L320 L321 C325 E326 Y327 E331 Y332 F333 | A317-A329 WeakPolarHBondContact O-CB 3.37Å; L320-A329 HydrophobicContact CB-CB 4.01Å; L321-A329 HydrophobicContact CD2-CB 3.57Å; L321-A329 HydrophobicContact CG-CB 3.94Å; C325-A329 PolarHBondContact O-N 3.36Å; C325-A329 VanDerWaalsContact O-N 3.12Å; E326-A329 WeakPolarHBondContact O-CB 3.3Å; E326-A329 PolarHBondContact O-N 2.98Å; E326-A329 VanDerWaalsContact O-N 3.13Å; Y327-A329 VanDerWaalsContact C-N 3.34Å; A329-E331 VanDerWaalsContact C-N 3.32Å; A329-E331 PolarHBondContact O-N 3.46Å; A329-Y332 PolarHBondContact O-N 3Å; A329-F333 HydrophobicContact CB-CD2 4.42Å; A329-F333 HydrophobicContact CB-CE2 4.16Å; A329-F333 WeakPolarHBondContact O-CD2 3.46Å; A329-F333 PolarHBondContact O-N 2.95Å |
| 330 | V | 94.9 | Very high | 91.3 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 16% | 0.158 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -44 | 177.6 | 177 | 0 | 0 | 0 | 0 | 111.6 | E326 D328 Y332 F333 E334 K354 V357 E358 L361 | E326-V330 PolarHBondContact O-N 2.9Å; E326-V330 VanDerWaalsContact O-N 3.16Å; D328-V330 VanDerWaalsContact C-N 3.31Å; D328-V330 PolarHBondContact O-N 3Å; V330-Y332 VanDerWaalsContact C-N 3.31Å; V330-Y332 PolarHBondContact O-N 3.32Å; V330-F333 PolarHBondContact O-N 3.35Å; V330-E334 PolarHBondContact O-N 3.43Å; V330-K354 HydrophobicContact CG1-CG 4.27Å; V330-V357 HydrophobicContact CG2-CB 3.99Å; V330-V357 HydrophobicContact CG2-CG1 3.47Å; V330-V357 VanDerWaalsContact CG2-CG1 3.47Å; V330-E358 HydrophobicContact CG1-CG 4.15Å; V330-E358 HydrophobicContact CG2-CG 4.22Å; V330-L361 HydrophobicContact CG2-CD1 4.04Å |
| 331 | E | 92.2 | Very high | 90.9 | Very high | 92 Ų | 92 | 51.8 Ų | 51.8 | 43% | 0.43 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 178.9 | -171.2 | -170.3 | 148.2 | 0 | 0 | 111.4 | D328 A329 E334 R335 | D328-E331 PolarHBondContact O-N 3.16Å; A329-E331 VanDerWaalsContact C-N 3.32Å; A329-E331 PolarHBondContact O-N 3.46Å; E331-E334 PolarHBondContact O-N 2.67Å; E331-R335 PolarHBondContact O-N 3.18Å; E331-R335 VanDerWaalsContact O-N 3.09Å; E331-R335 IonicContact OE1-CZ 3.04Å; E331-R335 IonicContact OE1-NE 2.83Å; E331-R335 IonicContact OE1-NH1 3.46Å; E331-R335 PolarHBondContact OE1-NH1 3.4Å; E331-R335 VanDerWaalsContact OE1-NH1 3.14Å; E331-R335 IonicContact OE1-NH2 2.73Å; E331-R335 PolarHBondContact OE1-NH2 2.91Å |
| 332 | Y | 92.8 | Very high | 90.5 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 14% | 0.141 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.4 | -32.7 | 179.2 | -68.7 | -67.6 | 0 | 0 | 0 | 113.1 | Y313 L316 L320 D328 A329 V330 R335 A336 | Y313-Y332 AromaticContact CD1-CD1 3.68Å; Y313-Y332 HydrophobicContact CD1-CD1 3.68Å; Y313-Y332 HydrophobicContact CD1-CE1 4.42Å; Y313-Y332 AromaticContact CE1-CD1 3.93Å; Y313-Y332 HydrophobicContact CE1-CD1 3.93Å; Y313-Y332 HydrophobicContact CE1-CE1 4.29Å; L316-Y332 HydrophobicContact CD2-CD1 3.74Å; L316-Y332 HydrophobicContact CD2-CD2 4.2Å; L316-Y332 HydrophobicContact CD2-CE1 3.54Å; L316-Y332 HydrophobicContact CD2-CE2 4.09Å; L316-Y332 HydrophobicContact CD2-CG 4.04Å; L316-Y332 HydrophobicContact CG-CD1 4.48Å; L316-Y332 HydrophobicContact CG-CD2 4.32Å; L316-Y332 HydrophobicContact CG-CE2 4.5Å; L316-Y332 HydrophobicContact CG-CG 4.32Å; L320-Y332 HydrophobicContact CD1-CD2 3.35Å; L320-Y332 HydrophobicContact CD1-CE2 3.57Å; L320-Y332 HydrophobicContact CD1-CG 4.44Å; D328-Y332 WeakPolarHBondContact O-CD2 3.27Å; D328-Y332 PolarHBondContact O-N 2.92Å; A329-Y332 PolarHBondContact O-N 3Å; V330-Y332 VanDerWaalsContact C-N 3.31Å; V330-Y332 PolarHBondContact O-N 3.32Å; Y332-R335 PolarHBondContact O-N 3.3Å; Y332-A336 WeakPolarHBondContact O-CB 3.39Å; Y332-A336 PolarHBondContact O-N 3.47Å |
| 333 | F | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -39 | 170.4 | -74.5 | -58.4 | 0 | 0 | 0 | 112.1 | Q314 A317 R318 L321 A329 V330 A336 A337 T350 W353 K354 V357 | Q314-F333 HydrophobicContact CG-CD1 4.27Å; Q314-F333 HydrophobicContact CG-CE1 3.94Å; A317-F333 HydrophobicContact CB-CD1 3.68Å; A317-F333 HydrophobicContact CB-CD2 3.78Å; A317-F333 HydrophobicContact CB-CE1 3.54Å; A317-F333 HydrophobicContact CB-CE2 3.61Å; A317-F333 HydrophobicContact CB-CG 3.8Å; A317-F333 HydrophobicContact CB-CZ 3.5Å; A317-F333 VanDerWaalsContact CB-CZ 3.5Å; R318-F333 HydrophobicContact CG-CE1 4.31Å; R318-F333 HydrophobicContact CG-CZ 4.09Å; L321-F333 HydrophobicContact CD1-CE2 3.86Å; L321-F333 HydrophobicContact CD1-CZ 3.98Å; L321-F333 HydrophobicContact CG-CE2 4.32Å; A329-F333 HydrophobicContact CB-CD2 4.42Å; A329-F333 HydrophobicContact CB-CE2 4.16Å; A329-F333 WeakPolarHBondContact O-CD2 3.46Å; A329-F333 PolarHBondContact O-N 2.95Å; V330-F333 PolarHBondContact O-N 3.35Å; F333-A336 PolarHBondContact O-N 2.99Å; F333-A337 PolarHBondContact O-N 3.26Å; F333-T350 HydrophobicContact CB-CG2 4.31Å; F333-T350 HydrophobicContact CD1-CG2 4.15Å; F333-T350 WeakPolarHBondContact O-CG2 3.26Å; F333-W353 HydrophobicContact CD1-CB 4.05Å; F333-W353 HydrophobicContact CE1-CB 3.57Å; F333-W353 HydrophobicContact CE1-CG 4.12Å; F333-W353 HydrophobicContact CE2-CB 4.28Å; F333-W353 HydrophobicContact CZ-CB 3.71Å; F333-W353 HydrophobicContact CZ-CG 4.2Å; F333-K354 HydrophobicContact CB-CB 3.88Å; F333-K354 HydrophobicContact CB-CG 4.08Å; F333-K354 HydrophobicContact CG-CB 4.43Å; F333-V357 HydrophobicContact CD2-CG2 4.38Å; F333-V357 HydrophobicContact CE2-CG2 3.93Å |
| 334 | E | 94.3 | Very high | 90.5 | Very high | 56 Ų | 56 | 54 Ų | 54 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.1 | -170.9 | 63.4 | -163.3 | 0 | 0 | 110.8 | V330 E331 A336 A337 D338 K354 R373 | V330-E334 PolarHBondContact O-N 3.43Å; E331-E334 PolarHBondContact O-N 2.67Å; E334-A336 VanDerWaalsContact C-N 3.34Å; E334-A336 PolarHBondContact O-N 3.11Å; E334-A337 WeakPolarHBondContact O-CB 3.48Å; E334-A337 PolarHBondContact O-N 3.33Å; E334-A337 VanDerWaalsContact O-N 3.12Å; E334-D338 PolarHBondContact O-N 3.26Å; E334-D338 VanDerWaalsContact O-N 3.13Å; E334-K354 VanDerWaalsContact OE2-CD 3.32Å; E334-K354 WeakPolarHBondContact OE2-CD 3.43Å; E334-K354 WeakPolarHBondContact OE2-CE 3.39Å; E334-K354 IonicContact OE2-NZ 2.6Å; E334-K354 PolarHBondContact OE2-NZ 3.3Å; E334-R373 IonicContact OE1-NH1 3.51Å; E334-R373 PolarHBondContact OE1-NH1 3.17Å; E334-R373 IonicContact OE2-NH1 3.5Å |
| 335 | R | 90.7 | Very high | 90.6 | Very high | 97 Ų | 97 | 53 Ų | 53 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 174.1 | -72.5 | -174.3 | 177.5 | 140.2 | 7.5 | 112.2 | Y313 E331 Y332 A337 D338 F339 | Y313-R335 HydrophobicContact CD1-CB 4.17Å; Y313-R335 HydrophobicContact CD2-CB 4.2Å; Y313-R335 HydrophobicContact CE1-CB 4.16Å; Y313-R335 HydrophobicContact CE2-CB 4.19Å; Y313-R335 HydrophobicContact CG-CB 4.19Å; E331-R335 PolarHBondContact O-N 3.18Å; E331-R335 VanDerWaalsContact O-N 3.09Å; E331-R335 IonicContact OE1-CZ 3.04Å; E331-R335 IonicContact OE1-NE 2.83Å; E331-R335 IonicContact OE1-NH1 3.46Å; E331-R335 PolarHBondContact OE1-NH1 3.4Å; E331-R335 VanDerWaalsContact OE1-NH1 3.14Å; E331-R335 IonicContact OE1-NH2 2.73Å; E331-R335 PolarHBondContact OE1-NH2 2.91Å; Y332-R335 PolarHBondContact O-N 3.3Å; R335-A337 VanDerWaalsContact C-N 3.27Å; R335-A337 PolarHBondContact O-N 2.81Å; R335-D338 PolarHBondContact O-N 3.49Å; R335-F339 VanDerWaalsContact O-CD2 3.31Å; R335-F339 WeakPolarHBondContact O-CD2 3.38Å; R335-F339 PolarHBondContact O-N 3.45Å |
| 336 | A | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q314 Y332 F333 E334 D338 F339 F340 T350 | Q314-A336 HydrophobicContact CB-CB 4.33Å; Y332-A336 WeakPolarHBondContact O-CB 3.39Å; Y332-A336 PolarHBondContact O-N 3.47Å; F333-A336 PolarHBondContact O-N 2.99Å; E334-A336 VanDerWaalsContact C-N 3.34Å; E334-A336 PolarHBondContact O-N 3.11Å; A336-D338 VanDerWaalsContact C-N 3.32Å; A336-D338 PolarHBondContact O-N 3.2Å; A336-F339 PolarHBondContact O-N 2.62Å; A336-F340 HydrophobicContact CB-CD2 4.45Å; A336-F340 HydrophobicContact CB-CE2 4.47Å; A336-F340 WeakPolarHBondContact O-CD2 3.44Å; A336-F340 PolarHBondContact O-N 3.18Å; A336-T350 HydrophobicContact CB-CG2 3.71Å |
| 337 | A | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F333 E334 R335 F339 F340 S341 L347 T350 L351 | F333-A337 PolarHBondContact O-N 3.26Å; E334-A337 WeakPolarHBondContact O-CB 3.48Å; E334-A337 PolarHBondContact O-N 3.33Å; E334-A337 VanDerWaalsContact O-N 3.12Å; R335-A337 VanDerWaalsContact C-N 3.27Å; R335-A337 PolarHBondContact O-N 2.81Å; A337-F339 VanDerWaalsContact C-N 3.34Å; A337-F339 PolarHBondContact O-N 2.87Å; A337-F340 PolarHBondContact O-N 2.97Å; A337-S341 PolarHBondContact O-N 2.88Å; A337-L347 HydrophobicContact CB-CD1 3.68Å; A337-L347 WeakPolarHBondContact O-CD1 3.17Å; A337-T350 HydrophobicContact CB-CG2 4.05Å; A337-L351 HydrophobicContact CB-CD2 3.97Å; A337-L351 HydrophobicContact CB-CG 4.48Å |
| 338 | D | 89.8 | Confident | 90.9 | Very high | 83 Ų | 83 | 42.1 Ų | 42.1 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 178 | -63.9 | -22.4 | 0 | 0 | 0 | 112 | E334 R335 A336 S341 R373 | E334-D338 PolarHBondContact O-N 3.26Å; E334-D338 VanDerWaalsContact O-N 3.13Å; R335-D338 PolarHBondContact O-N 3.49Å; A336-D338 VanDerWaalsContact C-N 3.32Å; A336-D338 PolarHBondContact O-N 3.2Å; D338-S341 WeakPolarHBondContact O-CB 3.45Å; D338-S341 PolarHBondContact O-N 2.83Å; D338-S341 PolarHBondContact O-OG 3.38Å; D338-R373 IonicContact OD1-NH1 2.67Å; D338-R373 IonicContact OD1-NH2 2.94Å; D338-R373 PolarHBondContact OD1-NH2 2.94Å |
| 339 | F | 87.3 | Confident | 91.1 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 23% | 0.228 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.6 | -28.2 | 174.8 | -79.2 | -84.5 | 0 | 0 | 0 | 113.4 | Q286 K306 A309 A310 Y313 R335 A336 A337 S341 | Q286-F339 HydrophobicContact CG-CE1 3.86Å; Q286-F339 HydrophobicContact CG-CZ 3.76Å; K306-F339 HydrophobicContact CB-CD1 4.31Å; K306-F339 HydrophobicContact CG-CD1 4.28Å; A309-F339 HydrophobicContact CB-CD1 4.05Å; A309-F339 HydrophobicContact CB-CE1 4.35Å; A309-F339 HydrophobicContact CB-CG 4.42Å; A310-F339 HydrophobicContact CB-CB 3.56Å; Y313-F339 HydrophobicContact CD2-CD2 4.03Å; Y313-F339 HydrophobicContact CD2-CE2 4.37Å; Y313-F339 AromaticContact CE2-CD2 3.8Å; Y313-F339 HydrophobicContact CE2-CD2 3.8Å; Y313-F339 AromaticContact CE2-CE2 3.67Å; Y313-F339 HydrophobicContact CE2-CE2 3.67Å; R335-F339 VanDerWaalsContact O-CD2 3.31Å; R335-F339 WeakPolarHBondContact O-CD2 3.38Å; R335-F339 PolarHBondContact O-N 3.45Å; A336-F339 PolarHBondContact O-N 2.62Å; A337-F339 VanDerWaalsContact C-N 3.34Å; A337-F339 PolarHBondContact O-N 2.87Å; F339-S341 VanDerWaalsContact C-N 3.26Å; F339-S341 PolarHBondContact O-N 3.27Å |
| 340 | F | 89.8 | Confident | 91.1 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 2% | 0.022 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 8.5 | 173.7 | -76.8 | -57.2 | 0 | 0 | 0 | 114.2 | I307 A310 V311 A336 A337 D342 D343 L347 T350 | I307-F340 HydrophobicContact CG2-CE1 4.17Å; A310-F340 HydrophobicContact CB-CD1 3.68Å; A310-F340 HydrophobicContact CB-CD2 3.52Å; A310-F340 HydrophobicContact CB-CE1 3.61Å; A310-F340 HydrophobicContact CB-CE2 3.42Å; A310-F340 VanDerWaalsContact CB-CE2 3.42Å; A310-F340 HydrophobicContact CB-CG 3.64Å; A310-F340 HydrophobicContact CB-CZ 3.48Å; A310-F340 VanDerWaalsContact CB-CZ 3.48Å; V311-F340 HydrophobicContact CG2-CE1 4.31Å; V311-F340 HydrophobicContact CG2-CZ 3.85Å; A336-F340 HydrophobicContact CB-CD2 4.45Å; A336-F340 HydrophobicContact CB-CE2 4.47Å; A336-F340 WeakPolarHBondContact O-CD2 3.44Å; A336-F340 PolarHBondContact O-N 3.18Å; A337-F340 PolarHBondContact O-N 2.97Å; F340-D342 PolarHBondContact O-N 3.31Å; F340-D343 HydrophobicContact CD1-CB 4.13Å; F340-D343 CarbonylContact O-C 3.44Å; F340-D343 PolarHBondContact O-N 3.4Å; F340-D343 VanDerWaalsContact O-O 3.05Å; F340-L347 HydrophobicContact CB-CB 3.94Å; F340-L347 HydrophobicContact CB-CD1 4.46Å; F340-T350 VanDerWaalsContact CD2-OG1 3.28Å; F340-T350 WeakPolarHBondContact CD2-OG1 3.41Å; F340-T350 VanDerWaalsContact CE2-OG1 3.29Å; F340-T350 WeakPolarHBondContact CE2-OG1 3.48Å |
| 341 | S | 84.1 | Confident | 91.1 | Very high | 76 Ų | 76 | 39.6 Ų | 39.6 | 53% | 0.531 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -33.8 | -176.8 | 43.2 | 0 | 0 | 0 | 0 | 114.7 | A337 D338 F339 | A337-S341 PolarHBondContact O-N 2.88Å; D338-S341 WeakPolarHBondContact O-CB 3.45Å; D338-S341 PolarHBondContact O-N 2.83Å; D338-S341 PolarHBondContact O-OG 3.38Å; F339-S341 VanDerWaalsContact C-N 3.26Å; F339-S341 PolarHBondContact O-N 3.27Å |
| 342 | D | 83.9 | Confident | 91.2 | Very high | 96 Ų | 96 | 37.2 Ų | 37.2 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -5.9 | 177.5 | -70.8 | -30.7 | 0 | 0 | 0 | 114.4 | F340 | F340-D342 PolarHBondContact O-N 3.31Š|
| 343 | D | 87.7 | Confident | 91.3 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 24% | 0.241 | 20% | 0.202 | C | C | . | . | trans | -118.5 | 98.3 | -179.6 | 177.8 | 53.5 | 0 | 0 | 0 | 110.9 | I307 F340 H345 G346 L347 | I307-D343 HydrophobicContact CD1-CB 4.32Å; I307-D343 HydrophobicContact CG1-CB 4.31Å; F340-D343 HydrophobicContact CD1-CB 4.13Å; F340-D343 CarbonylContact O-C 3.44Å; F340-D343 PolarHBondContact O-N 3.4Å; F340-D343 VanDerWaalsContact O-O 3.05Å; D343-H345 PolarHBondContact O-N 3.46Å; D343-H345 VanDerWaalsContact O-N 3.17Å; D343-G346 PolarHBondContact O-N 2.92Å; D343-G346 VanDerWaalsContact OD2-CA 3.27Å; D343-G346 WeakPolarHBondContact OD2-CA 3.29Å; D343-G346 PolarHBondContact OD2-N 3.2Å; D343-L347 WeakPolarHBondContact O-CB 3.45Å; D343-L347 PolarHBondContact O-N 3.06Å | ||
| 344 | P | 88.7 | Confident | 91.3 | Very high | 49 Ų | 49 | 41.2 Ų | 41.2 | 32% | 0.318 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.2 | -35 | -174.6 | -24.9 | 32.9 | 0 | 0 | 0 | 113.7 | V348 L381 W389 | P344-V348 WeakPolarHBondContact O-CB 3.47Å; P344-V348 WeakPolarHBondContact O-CG2 3.46Å; P344-V348 PolarHBondContact O-N 3.44Å; P344-L381 HydrophobicContact CB-CD1 3.74Å; P344-L381 HydrophobicContact CG-CD1 4.41Å; P344-W389 HydrophobicContact CB-CH2 4.22Å; P344-W389 HydrophobicContact CB-CZ2 4.38Å |
| 345 | H | 89.8 | Confident | 91.3 | Very high | 93 Ų | 93 | 38.6 Ų | 38.6 | 43% | 0.431 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71.6 | -51.5 | -176.2 | -170.3 | -80.1 | 0 | 0 | 0 | 111.8 | D343 L347 V348 C349 W389 | D343-H345 PolarHBondContact O-N 3.46Å; D343-H345 VanDerWaalsContact O-N 3.17Å; H345-L347 VanDerWaalsContact C-N 3.26Å; H345-L347 PolarHBondContact O-N 2.95Å; H345-V348 PolarHBondContact O-N 3.4Å; H345-C349 WeakPolarHBondContact O-CB 3.19Å; H345-C349 PolarHBondContact O-N 3.37Å; H345-C349 PolarHBondContact O-SG 2.69Å; H345-C349 VanDerWaalsContact O-SG 3.36Å; H345-W389 HydrophobicContact CB-CH2 4.09Å |
| 346 | G | 91.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 6% | 0.062 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.1 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D343 T350 | D343-G346 PolarHBondContact O-N 2.92Å; D343-G346 VanDerWaalsContact OD2-CA 3.27Å; D343-G346 WeakPolarHBondContact OD2-CA 3.29Å; D343-G346 PolarHBondContact OD2-N 3.2Å; G346-T350 VanDerWaalsContact O-CB 3.23Å; G346-T350 WeakPolarHBondContact O-CB 3.3Å; G346-T350 PolarHBondContact O-N 3.4Å; G346-T350 PolarHBondContact O-OG1 2.9Å |
| 347 | L | 93.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.6 | -49.5 | 177.6 | -175.6 | 54.3 | 0 | 0 | 0 | 112.1 | A337 F340 D343 H345 C349 T350 L351 I377 | A337-L347 HydrophobicContact CB-CD1 3.68Å; A337-L347 WeakPolarHBondContact O-CD1 3.17Å; F340-L347 HydrophobicContact CB-CB 3.94Å; F340-L347 HydrophobicContact CB-CD1 4.46Å; D343-L347 WeakPolarHBondContact O-CB 3.45Å; D343-L347 PolarHBondContact O-N 3.06Å; H345-L347 VanDerWaalsContact C-N 3.26Å; H345-L347 PolarHBondContact O-N 2.95Å; L347-C349 PolarHBondContact O-N 2.8Å; L347-T350 PolarHBondContact O-N 3.29Å; L347-L351 HydrophobicContact CD1-CD1 3.9Å; L347-L351 HydrophobicContact CD1-CG 4.01Å; L347-L351 HydrophobicContact CG-CD1 4.06Å; L347-L351 WeakPolarHBondContact O-CG 3.28Å; L347-L351 PolarHBondContact O-N 3.33Å; L347-I377 HydrophobicContact CD2-CD1 3.48Å; L347-I377 VanDerWaalsContact CD2-CD1 3.48Å; L347-I377 HydrophobicContact CD2-CG1 4.3Å; L347-I377 HydrophobicContact CG-CD1 3.9Å |
| 348 | V | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 177.5 | 164.6 | 0 | 0 | 0 | 0 | 110.8 | P344 H345 T350 L351 R352 L374 L378 W389 Y392 | P344-V348 WeakPolarHBondContact O-CB 3.47Å; P344-V348 WeakPolarHBondContact O-CG2 3.46Å; P344-V348 PolarHBondContact O-N 3.44Å; H345-V348 PolarHBondContact O-N 3.4Å; V348-T350 VanDerWaalsContact C-N 3.31Å; V348-T350 PolarHBondContact O-N 2.92Å; V348-L351 PolarHBondContact O-N 3.02Å; V348-R352 VanDerWaalsContact O-CG 3.27Å; V348-R352 WeakPolarHBondContact O-CG 3.25Å; V348-R352 PolarHBondContact O-N 3.13Å; V348-L374 HydrophobicContact CB-CD1 4.09Å; V348-L374 HydrophobicContact CG1-CD1 4.08Å; V348-L374 HydrophobicContact CG2-CD1 3.76Å; V348-L378 HydrophobicContact CG2-CD2 3.78Å; V348-L378 HydrophobicContact CG2-CG 4.22Å; V348-W389 HydrophobicContact CB-CZ3 4.08Å; V348-W389 HydrophobicContact CG1-CZ3 4.21Å; V348-W389 HydrophobicContact CG2-CE3 4.42Å; V348-W389 HydrophobicContact CG2-CZ3 3.79Å; V348-Y392 HydrophobicContact CG1-CD2 3.77Å; V348-Y392 HydrophobicContact CG1-CE2 4.1Å; V348-Y392 HydrophobicContact CG1-CG 4.18Å |
| 349 | C | 92.4 | Very high | 91.5 | Very high | 32 Ų | 32 | 32.5 Ų | 32.5 | 22% | 0.216 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 176.9 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | H345 L347 W353 | H345-C349 WeakPolarHBondContact O-CB 3.19Å; H345-C349 PolarHBondContact O-N 3.37Å; H345-C349 PolarHBondContact O-SG 2.69Å; H345-C349 VanDerWaalsContact O-SG 3.36Å; L347-C349 PolarHBondContact O-N 2.8Å; C349-W353 VanDerWaalsContact O-CD1 3.29Å; C349-W353 PolarHBondContact O-N 3.37Å |
| 350 | T | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.4 | -45.7 | -178.5 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | Q314 F333 A336 A337 F340 G346 L347 V348 R352 W353 K354 | Q314-T350 PolarHBondContact NE2-OG1 2.96Å; F333-T350 HydrophobicContact CB-CG2 4.31Å; F333-T350 HydrophobicContact CD1-CG2 4.15Å; F333-T350 WeakPolarHBondContact O-CG2 3.26Å; A336-T350 HydrophobicContact CB-CG2 3.71Å; A337-T350 HydrophobicContact CB-CG2 4.05Å; F340-T350 VanDerWaalsContact CD2-OG1 3.28Å; F340-T350 WeakPolarHBondContact CD2-OG1 3.41Å; F340-T350 VanDerWaalsContact CE2-OG1 3.29Å; F340-T350 WeakPolarHBondContact CE2-OG1 3.48Å; G346-T350 VanDerWaalsContact O-CB 3.23Å; G346-T350 WeakPolarHBondContact O-CB 3.3Å; G346-T350 PolarHBondContact O-N 3.4Å; G346-T350 PolarHBondContact O-OG1 2.9Å; L347-T350 PolarHBondContact O-N 3.29Å; V348-T350 VanDerWaalsContact C-N 3.31Å; V348-T350 PolarHBondContact O-N 2.92Å; T350-R352 VanDerWaalsContact C-N 3.33Å; T350-R352 PolarHBondContact O-N 2.78Å; T350-W353 PolarHBondContact O-N 2.94Å; T350-K354 PolarHBondContact O-N 3.41Å |
| 351 | L | 95.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -34.9 | 178.7 | -68.5 | 176.6 | 0 | 0 | 0 | 112.2 | A337 L347 V348 K354 F355 T370 R373 L374 I377 | A337-L351 HydrophobicContact CB-CD2 3.97Å; A337-L351 HydrophobicContact CB-CG 4.48Å; L347-L351 HydrophobicContact CD1-CD1 3.9Å; L347-L351 HydrophobicContact CD1-CG 4.01Å; L347-L351 HydrophobicContact CG-CD1 4.06Å; L347-L351 WeakPolarHBondContact O-CG 3.28Å; L347-L351 PolarHBondContact O-N 3.33Å; V348-L351 PolarHBondContact O-N 3.02Å; L351-K354 PolarHBondContact O-N 2.93Å; L351-F355 WeakPolarHBondContact O-CB 3.25Å; L351-F355 PolarHBondContact O-N 3.45Å; L351-T370 HydrophobicContact CB-CG2 4.33Å; L351-T370 HydrophobicContact CD2-CG2 4.21Å; L351-T370 WeakPolarHBondContact O-CG2 3.35Å; L351-R373 HydrophobicContact CD1-CG 4.05Å; L351-L374 HydrophobicContact CB-CB 4.46Å; L351-L374 HydrophobicContact CB-CD1 4.22Å; L351-L374 HydrophobicContact CD1-CB 4.32Å; L351-L374 HydrophobicContact CD1-CD1 4.26Å; L351-I377 HydrophobicContact CD1-CD1 3.7Å |
| 352 | R | 94.1 | Very high | 91.9 | Very high | 43 Ų | 43 | 33 Ų | 33 | 16% | 0.162 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58 | -54.3 | 170.1 | -72 | 173.3 | 81.5 | -141.6 | 2.6 | 109.9 | V348 T350 K354 F355 C356 L374 E395 F480 | V348-R352 VanDerWaalsContact O-CG 3.27Å; V348-R352 WeakPolarHBondContact O-CG 3.25Å; V348-R352 PolarHBondContact O-N 3.13Å; T350-R352 VanDerWaalsContact C-N 3.33Å; T350-R352 PolarHBondContact O-N 2.78Å; R352-K354 VanDerWaalsContact C-N 3.33Å; R352-K354 PolarHBondContact O-N 2.78Å; R352-F355 PolarHBondContact O-N 3.34Å; R352-C356 PolarHBondContact O-N 2.67Å; R352-C356 VanDerWaalsContact O-N 3.09Å; R352-L374 HydrophobicContact CG-CD2 3.8Å; R352-E395 IonicContact CZ-OE1 3.37Å; R352-E395 IonicContact CZ-OE2 3.52Å; R352-E395 IonicContact NE-OE2 2.97Å; R352-E395 PolarHBondContact NE-OE2 2.91Å; R352-E395 VanDerWaalsContact NH2-CD 3.3Å; R352-E395 IonicContact NH2-OE1 2.92Å; R352-E395 PolarHBondContact NH2-OE1 2.99Å; R352-E395 IonicContact NH2-OE2 3.16Å; R352-E395 PolarHBondContact NH2-OE2 3.49Å; R352-F480 HydrophobicContact CB-CE1 4.37Å; R352-F480 HydrophobicContact CB-CE2 4.27Å; R352-F480 HydrophobicContact CB-CZ 4.09Å; R352-F480 HydrophobicContact CG-CE1 4.3Å; R352-F480 HydrophobicContact CG-CZ 4.4Å; R352-F480 WeakPolarHBondContact O-CE2 3.37Å; R352-F480 WeakPolarHBondContact O-CZ 3.5Å |
| 353 | W | 93.6 | Very high | 92.2 | Very high | 99 Ų | 99 | 30.5 Ų | 30.5 | 38% | 0.375 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -55.2 | -46.7 | 176.4 | -84.8 | 106.3 | 0 | 0 | 0 | 113 | L321 F333 C349 T350 F355 C356 V357 | L321-W353 HydrophobicContact CD1-CE3 4.02Å; L321-W353 HydrophobicContact CD1-CZ3 4.16Å; F333-W353 HydrophobicContact CD1-CB 4.05Å; F333-W353 HydrophobicContact CE1-CB 3.57Å; F333-W353 HydrophobicContact CE1-CG 4.12Å; F333-W353 HydrophobicContact CE2-CB 4.28Å; F333-W353 HydrophobicContact CZ-CB 3.71Å; F333-W353 HydrophobicContact CZ-CG 4.2Å; C349-W353 VanDerWaalsContact O-CD1 3.29Å; C349-W353 PolarHBondContact O-N 3.37Å; T350-W353 PolarHBondContact O-N 2.94Å; W353-F355 PolarHBondContact O-N 3.05Å; W353-C356 VanDerWaalsContact O-CB 3.28Å; W353-C356 WeakPolarHBondContact O-CB 3.33Å; W353-C356 PolarHBondContact O-N 3.4Å; W353-C356 VanDerWaalsContact O-N 3.11Å; W353-V357 WeakPolarHBondContact O-CG2 3.45Å; W353-V357 PolarHBondContact O-N 3.23Å |
| 354 | K | 95.5 | Very high | 92.4 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.7 | -48.3 | 178.2 | -169.2 | -173.6 | 171.5 | -139.6 | 0 | 112.3 | V330 F333 E334 T350 L351 R352 C356 V357 E358 T370 | V330-K354 HydrophobicContact CG1-CG 4.27Å; F333-K354 HydrophobicContact CB-CB 3.88Å; F333-K354 HydrophobicContact CB-CG 4.08Å; F333-K354 HydrophobicContact CG-CB 4.43Å; E334-K354 VanDerWaalsContact OE2-CD 3.32Å; E334-K354 WeakPolarHBondContact OE2-CD 3.43Å; E334-K354 WeakPolarHBondContact OE2-CE 3.39Å; E334-K354 IonicContact OE2-NZ 2.6Å; E334-K354 PolarHBondContact OE2-NZ 3.3Å; T350-K354 PolarHBondContact O-N 3.41Å; L351-K354 PolarHBondContact O-N 2.93Å; R352-K354 VanDerWaalsContact C-N 3.33Å; R352-K354 PolarHBondContact O-N 2.78Å; K354-C356 VanDerWaalsContact C-N 3.29Å; K354-C356 PolarHBondContact O-N 2.92Å; K354-V357 PolarHBondContact O-N 3.46Å; K354-V357 VanDerWaalsContact O-N 3.14Å; K354-E358 WeakPolarHBondContact CE-OE1 3.41Å; K354-E358 HydrophobicContact CG-CG 4.48Å; K354-E358 IonicContact NZ-OE1 3.71Å; K354-E358 PolarHBondContact NZ-OE1 3.29Å; K354-E358 WeakPolarHBondContact O-CG 3.3Å; K354-E358 PolarHBondContact O-N 2.95Å; K354-T370 HydrophobicContact CB-CG2 4.21Å; K354-T370 HydrophobicContact CD-CG2 4.12Å; K354-T370 HydrophobicContact CG-CG2 4.36Å; K354-T370 PolarHBondContact NZ-OG1 3.18Å |
| 355 | F | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.7 | -40.7 | 177.1 | 174.2 | -84.3 | 0 | 0 | 0 | 112.2 | L351 R352 W353 V357 E358 T359 A367 T370 I371 A399 L403 F480 L481 F484 | L351-F355 WeakPolarHBondContact O-CB 3.25Å; L351-F355 PolarHBondContact O-N 3.45Å; R352-F355 PolarHBondContact O-N 3.34Å; W353-F355 PolarHBondContact O-N 3.05Å; F355-V357 PolarHBondContact O-N 2.83Å; F355-E358 PolarHBondContact O-N 3.13Å; F355-T359 HydrophobicContact CD1-CG2 4.04Å; F355-T359 HydrophobicContact CD2-CG2 4.41Å; F355-T359 HydrophobicContact CE1-CG2 3.62Å; F355-T359 HydrophobicContact CE2-CG2 4.01Å; F355-T359 HydrophobicContact CG-CG2 4.44Å; F355-T359 HydrophobicContact CZ-CG2 3.6Å; F355-T359 WeakPolarHBondContact O-CG2 3.3Å; F355-T359 PolarHBondContact O-N 2.97Å; F355-T359 PolarHBondContact O-OG1 2.93Å; F355-A367 HydrophobicContact CD2-CB 4.02Å; F355-A367 WeakPolarHBondContact CD2-O 3.49Å; F355-A367 HydrophobicContact CE2-CB 4.06Å; F355-T370 HydrophobicContact CB-CG2 3.99Å; F355-I371 HydrophobicContact CD2-CB 3.96Å; F355-I371 HydrophobicContact CD2-CD1 4.01Å; F355-I371 HydrophobicContact CD2-CG1 4.45Å; F355-I371 HydrophobicContact CE2-CB 3.9Å; F355-I371 HydrophobicContact CE2-CD1 4.06Å; F355-I371 HydrophobicContact CE2-CG1 4.23Å; F355-I371 HydrophobicContact CG-CD1 4.46Å; F355-A399 HydrophobicContact CE1-CB 4.27Å; F355-A399 HydrophobicContact CE2-CB 4.29Å; F355-A399 HydrophobicContact CZ-CB 3.77Å; F355-L403 HydrophobicContact CE2-CD1 3.63Å; F355-L403 HydrophobicContact CE2-CG 4.14Å; F355-L403 HydrophobicContact CZ-CD1 4.27Å; F355-L403 HydrophobicContact CZ-CG 4.32Å; F355-F480 HydrophobicContact CB-CE2 4.18Å; F355-F480 HydrophobicContact CB-CZ 3.86Å; F355-F480 HydrophobicContact CD1-CE1 4.09Å; F355-F480 AromaticContact CD1-CE2 3.55Å; F355-F480 HydrophobicContact CD1-CE2 3.55Å; F355-F480 AromaticContact CD1-CZ 3.16Å; F355-F480 HydrophobicContact CD1-CZ 3.16Å; F355-F480 HydrophobicContact CE1-CE1 4.49Å; F355-F480 HydrophobicContact CE1-CE2 4.43Å; F355-F480 AromaticContact CE1-CZ 3.93Å; F355-F480 HydrophobicContact CE1-CZ 3.93Å; F355-F480 HydrophobicContact CG-CE2 4.3Å; F355-F480 AromaticContact CG-CZ 3.79Å; F355-F480 HydrophobicContact CG-CZ 3.79Å; F355-L481 HydrophobicContact CE1-CD2 3.77Å; F355-L481 HydrophobicContact CZ-CD2 4.47Å; F355-F484 HydrophobicContact CE1-CD1 4.38Å; F355-F484 HydrophobicContact CZ-CD1 4.21Å; F355-F484 HydrophobicContact CZ-CE1 4.34Å |
| 356 | C | 92.1 | Very high | 92.6 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 22% | 0.223 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.4 | -43.9 | 178.6 | -166 | 0 | 0 | 0 | 0 | 110 | R352 W353 K354 T359 S360 F480 | R352-C356 PolarHBondContact O-N 2.67Å; R352-C356 VanDerWaalsContact O-N 3.09Å; W353-C356 VanDerWaalsContact O-CB 3.28Å; W353-C356 WeakPolarHBondContact O-CB 3.33Å; W353-C356 PolarHBondContact O-N 3.4Å; W353-C356 VanDerWaalsContact O-N 3.11Å; K354-C356 VanDerWaalsContact C-N 3.29Å; K354-C356 PolarHBondContact O-N 2.92Å; C356-T359 PolarHBondContact O-OG1 3.33Å; C356-S360 VanDerWaalsContact O-CB 3.28Å; C356-S360 WeakPolarHBondContact O-CB 3.41Å; C356-S360 PolarHBondContact O-N 3.08Å; C356-S360 PolarHBondContact O-OG 3.41Å; C356-F480 HydrophobicContact CB-CD2 3.76Å; C356-F480 HydrophobicContact CB-CE2 3.63Å |
| 357 | V | 93.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.7 | -41.7 | -178.3 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | L321 E326 V330 F333 W353 K354 F355 T359 S360 L361 | L321-V357 HydrophobicContact CD1-CG2 3.66Å; L321-V357 HydrophobicContact CD2-CB 4.36Å; L321-V357 HydrophobicContact CD2-CG1 3.85Å; L321-V357 HydrophobicContact CD2-CG2 3.48Å; L321-V357 VanDerWaalsContact CD2-CG2 3.48Å; L321-V357 HydrophobicContact CG-CG2 4.16Å; E326-V357 HydrophobicContact CB-CG1 3.82Å; E326-V357 WeakPolarHBondContact O-CG1 3.35Å; V330-V357 HydrophobicContact CG2-CB 3.99Å; V330-V357 HydrophobicContact CG2-CG1 3.47Å; V330-V357 VanDerWaalsContact CG2-CG1 3.47Å; F333-V357 HydrophobicContact CD2-CG2 4.38Å; F333-V357 HydrophobicContact CE2-CG2 3.93Å; W353-V357 WeakPolarHBondContact O-CG2 3.45Å; W353-V357 PolarHBondContact O-N 3.23Å; K354-V357 PolarHBondContact O-N 3.46Å; K354-V357 VanDerWaalsContact O-N 3.14Å; F355-V357 PolarHBondContact O-N 2.83Å; V357-T359 PolarHBondContact O-N 3.22Å; V357-S360 VanDerWaalsContact O-CB 3.31Å; V357-S360 WeakPolarHBondContact O-CB 3.35Å; V357-S360 PolarHBondContact O-N 3.46Å; V357-S360 VanDerWaalsContact O-N 3.17Å; V357-L361 HydrophobicContact CG1-CD1 4.15Å; V357-L361 WeakPolarHBondContact O-CB 3.24Å; V357-L361 WeakPolarHBondContact O-CG 3.43Å; V357-L361 PolarHBondContact O-N 3.35Å |
| 358 | E | 94.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 178.4 | -70.9 | 172.7 | 149.1 | 0 | 0 | 112.2 | V330 K354 F355 S360 L361 G362 S363 C366 A367 T370 | V330-E358 HydrophobicContact CG1-CG 4.15Å; V330-E358 HydrophobicContact CG2-CG 4.22Å; K354-E358 WeakPolarHBondContact CE-OE1 3.41Å; K354-E358 HydrophobicContact CG-CG 4.48Å; K354-E358 IonicContact NZ-OE1 3.71Å; K354-E358 PolarHBondContact NZ-OE1 3.29Å; K354-E358 WeakPolarHBondContact O-CG 3.3Å; K354-E358 PolarHBondContact O-N 2.95Å; F355-E358 PolarHBondContact O-N 3.13Å; E358-S360 VanDerWaalsContact C-N 3.33Å; E358-L361 PolarHBondContact O-N 2.94Å; E358-G362 PolarHBondContact O-N 3.12Å; E358-S363 PolarHBondContact O-N 3.38Å; E358-C366 HydrophobicContact CG-CB 4.21Å; E358-C366 WeakPolarHBondContact OE1-CB 3.31Å; E358-A367 HydrophobicContact CB-CB 3.9Å; E358-A367 VanDerWaalsContact OE2-CA 3.3Å; E358-A367 WeakPolarHBondContact OE2-CA 3.44Å; E358-A367 PolarHBondContact OE2-N 3.46Å; E358-T370 PolarHBondContact OE1-OG1 3.45Å; E358-T370 WeakPolarHBondContact OE2-CB 3.48Å; E358-T370 PolarHBondContact OE2-OG1 3.39Å |
| 359 | T | 92 | Very high | 92.7 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.2 | -33.2 | 173.5 | 54.4 | 0 | 0 | 0 | 0 | 112 | F355 C356 V357 L361 G362 A367 F484 | F355-T359 HydrophobicContact CD1-CG2 4.04Å; F355-T359 HydrophobicContact CD2-CG2 4.41Å; F355-T359 HydrophobicContact CE1-CG2 3.62Å; F355-T359 HydrophobicContact CE2-CG2 4.01Å; F355-T359 HydrophobicContact CG-CG2 4.44Å; F355-T359 HydrophobicContact CZ-CG2 3.6Å; F355-T359 WeakPolarHBondContact O-CG2 3.3Å; F355-T359 PolarHBondContact O-N 2.97Å; F355-T359 PolarHBondContact O-OG1 2.93Å; C356-T359 PolarHBondContact O-OG1 3.33Å; V357-T359 PolarHBondContact O-N 3.22Å; T359-L361 VanDerWaalsContact C-N 3.35Å; T359-G362 PolarHBondContact O-N 3.39Å; T359-A367 HydrophobicContact CG2-CB 3.75Å; T359-F484 HydrophobicContact CG2-CD1 3.99Å; T359-F484 HydrophobicContact CG2-CD2 4.38Å; T359-F484 HydrophobicContact CG2-CE1 4.11Å; T359-F484 HydrophobicContact CG2-CG 4.14Å; T359-F484 HydrophobicContact CG2-CZ 4.39Å |
| 360 | S | 89 | Confident | 92.9 | Very high | 61 Ų | 61 | 32.9 Ų | 32.9 | 43% | 0.427 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 173 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | C356 V357 E358 G362 K487 | C356-S360 VanDerWaalsContact O-CB 3.28Å; C356-S360 WeakPolarHBondContact O-CB 3.41Å; C356-S360 PolarHBondContact O-N 3.08Å; C356-S360 PolarHBondContact O-OG 3.41Å; V357-S360 VanDerWaalsContact O-CB 3.31Å; V357-S360 WeakPolarHBondContact O-CB 3.35Å; V357-S360 PolarHBondContact O-N 3.46Å; V357-S360 VanDerWaalsContact O-N 3.17Å; E358-S360 VanDerWaalsContact C-N 3.33Å; S360-G362 VanDerWaalsContact C-N 3.26Å; S360-G362 PolarHBondContact O-N 2.97Å; S360-K487 VanDerWaalsContact CA-NZ 3.29Å; S360-K487 PolarHBondContact O-NZ 3.42Å |
| 361 | L | 90.3 | Very high | 92.9 | Very high | 45 Ų | 45 | 32.9 Ų | 32.9 | 24% | 0.236 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.3 | -15.4 | 176.9 | -72.2 | 174.2 | 0 | 0 | 0 | 113.6 | E326 Y327 V330 V357 E358 T359 S363 | E326-L361 HydrophobicContact CB-CD1 4.06Å; E326-L361 HydrophobicContact CB-CD2 3.71Å; E326-L361 HydrophobicContact CB-CG 3.96Å; E326-L361 HydrophobicContact CG-CD2 4.49Å; Y327-L361 HydrophobicContact CD1-CD1 3.93Å; Y327-L361 HydrophobicContact CD1-CD2 4.37Å; Y327-L361 HydrophobicContact CD2-CD2 3.93Å; Y327-L361 HydrophobicContact CE1-CD1 4.1Å; Y327-L361 HydrophobicContact CE1-CD2 4.05Å; Y327-L361 HydrophobicContact CE2-CD2 3.56Å; Y327-L361 HydrophobicContact CG-CD1 4.22Å; Y327-L361 HydrophobicContact CG-CD2 4.32Å; V330-L361 HydrophobicContact CG2-CD1 4.04Å; V357-L361 HydrophobicContact CG1-CD1 4.15Å; V357-L361 WeakPolarHBondContact O-CB 3.24Å; V357-L361 WeakPolarHBondContact O-CG 3.43Å; V357-L361 PolarHBondContact O-N 3.35Å; E358-L361 PolarHBondContact O-N 2.94Å; T359-L361 VanDerWaalsContact C-N 3.35Å; L361-S363 VanDerWaalsContact C-N 3.34Å |
| 362 | G | 88.7 | Confident | 92.9 | Very high | 37 Ų | 37 | 34.6 Ų | 34.6 | 38% | 0.381 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 13.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E358 T359 S360 L364 | E358-G362 PolarHBondContact O-N 3.12Å; T359-G362 PolarHBondContact O-N 3.39Å; S360-G362 VanDerWaalsContact C-N 3.26Å; S360-G362 PolarHBondContact O-N 2.97Å; G362-L364 PolarHBondContact O-N 2.9Å |
| 363 | S | 91 | Very high | 92.9 | Very high | 43 Ų | 43 | 36.1 Ų | 36.1 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | trans | -81 | 70.9 | 175.1 | -166.3 | 0 | 0 | 0 | 0 | 110.7 | E358 L361 T365 C366 A367 | E358-S363 PolarHBondContact O-N 3.38Å; L361-S363 VanDerWaalsContact C-N 3.34Å; S363-T365 VanDerWaalsContact C-N 3.29Å; S363-T365 PolarHBondContact O-N 3.17Å; S363-C366 PolarHBondContact O-N 3.48Å; S363-C366 WeakPolarHBondContact OG-CB 3.49Å; S363-C366 PolarHBondContact OG-SG 3.27Å; S363-A367 PolarHBondContact O-N 3.34Å | ||
| 364 | L | 91.1 | Very high | 93 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64 | -32.3 | -171.8 | -60.6 | -179.8 | 0 | 0 | 0 | 113.2 | G362 A367 R368 L403 A406 L407 F484 | G362-L364 PolarHBondContact O-N 2.9Å; L364-A367 PolarHBondContact O-N 3.49Å; L364-R368 WeakPolarHBondContact O-CB 3.07Å; L364-R368 PolarHBondContact O-N 3.13Å; L364-L403 HydrophobicContact CB-CD2 4.35Å; L364-L403 HydrophobicContact CD2-CD2 4.03Å; L364-A406 HydrophobicContact CD1-CB 3.7Å; L364-A406 HydrophobicContact CD2-CB 4.37Å; L364-L407 HydrophobicContact CB-CD2 3.7Å; L364-L407 HydrophobicContact CB-CG 4.23Å; L364-L407 HydrophobicContact CD1-CD2 4Å; L364-L407 HydrophobicContact CD1-CG 4.36Å; L364-F484 HydrophobicContact CD2-CE2 4.07Å; L364-F484 HydrophobicContact CD2-CZ 4.08Å |
| 365 | T | 90.4 | Very high | 93 | Very high | 84 Ų | 84 | 31.5 Ų | 31.5 | 52% | 0.515 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.8 | -41.5 | 177 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | S363 R368 C369 | S363-T365 VanDerWaalsContact C-N 3.29Å; S363-T365 PolarHBondContact O-N 3.17Å; T365-R368 WeakPolarHBondContact O-CB 3.49Å; T365-R368 PolarHBondContact O-N 3.35Å; T365-C369 PolarHBondContact O-N 3.41Å; T365-C369 PolarHBondContact O-SG 3.21Å |
| 366 | C | 92.6 | Very high | 92.9 | Very high | 53 Ų | 53 | 37.9 Ų | 37.9 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.4 | -44.6 | 173.9 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | E358 S363 R368 C369 T370 | E358-C366 HydrophobicContact CG-CB 4.21Å; E358-C366 WeakPolarHBondContact OE1-CB 3.31Å; S363-C366 PolarHBondContact O-N 3.48Å; S363-C366 WeakPolarHBondContact OG-CB 3.49Å; S363-C366 PolarHBondContact OG-SG 3.27Å; C366-R368 PolarHBondContact O-N 3.05Å; C366-C369 WeakPolarHBondContact O-CB 3.47Å; C366-C369 PolarHBondContact O-N 3.38Å; C366-C369 VanDerWaalsContact O-N 3.11Å; C366-T370 PolarHBondContact O-N 2.94Å; C366-T370 PolarHBondContact O-OG1 3.24Å |
| 367 | A | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.3 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F355 E358 T359 S363 L364 T370 I371 L403 | F355-A367 HydrophobicContact CD2-CB 4.02Å; F355-A367 WeakPolarHBondContact CD2-O 3.49Å; F355-A367 HydrophobicContact CE2-CB 4.06Å; E358-A367 HydrophobicContact CB-CB 3.9Å; E358-A367 VanDerWaalsContact OE2-CA 3.3Å; E358-A367 WeakPolarHBondContact OE2-CA 3.44Å; E358-A367 PolarHBondContact OE2-N 3.46Å; T359-A367 HydrophobicContact CG2-CB 3.75Å; S363-A367 PolarHBondContact O-N 3.34Å; L364-A367 PolarHBondContact O-N 3.49Å; A367-T370 PolarHBondContact O-N 2.96Å; A367-I371 PolarHBondContact O-N 3.4Å; A367-L403 HydrophobicContact CB-CD1 4.49Å; A367-L403 HydrophobicContact CB-CD2 3.93Å |
| 368 | R | 93.6 | Very high | 92.9 | Very high | 46 Ų | 46 | 37.9 Ų | 37.9 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -49.8 | 173.9 | -169.3 | 177.3 | 72.2 | 173.5 | 4.2 | 111.8 | L364 T365 C366 T370 I371 Q372 L403 E417 | L364-R368 WeakPolarHBondContact O-CB 3.07Å; L364-R368 PolarHBondContact O-N 3.13Å; T365-R368 WeakPolarHBondContact O-CB 3.49Å; T365-R368 PolarHBondContact O-N 3.35Å; C366-R368 PolarHBondContact O-N 3.05Å; R368-T370 VanDerWaalsContact C-N 3.29Å; R368-T370 PolarHBondContact O-N 3.42Å; R368-I371 WeakPolarHBondContact O-CG2 3.44Å; R368-I371 PolarHBondContact O-N 3.01Å; R368-Q372 WeakPolarHBondContact O-CB 3.34Å; R368-Q372 VanDerWaalsContact O-CG 3.27Å; R368-Q372 WeakPolarHBondContact O-CG 3.3Å; R368-Q372 PolarHBondContact O-N 3.3Å; R368-L403 HydrophobicContact CB-CD1 4.2Å; R368-E417 WeakPolarHBondContact CD-OE1 3.17Å; R368-E417 WeakPolarHBondContact CG-OE1 3.38Å |
| 369 | C | 93.8 | Very high | 92.8 | Very high | 76 Ų | 76 | 40 Ų | 40 | 51% | 0.514 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.4 | -41.3 | 176 | -64.7 | 0 | 0 | 0 | 0 | 112 | T365 C366 R373 | T365-C369 PolarHBondContact O-N 3.41Å; T365-C369 PolarHBondContact O-SG 3.21Å; C366-C369 WeakPolarHBondContact O-CB 3.47Å; C366-C369 PolarHBondContact O-N 3.38Å; C366-C369 VanDerWaalsContact O-N 3.11Å; C369-R373 WeakPolarHBondContact O-CB 3.32Å; C369-R373 PolarHBondContact O-N 3.45Å |
| 370 | T | 95.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 179.4 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | L351 K354 F355 E358 C366 A367 R368 R373 L374 | L351-T370 HydrophobicContact CB-CG2 4.33Å; L351-T370 HydrophobicContact CD2-CG2 4.21Å; L351-T370 WeakPolarHBondContact O-CG2 3.35Å; K354-T370 HydrophobicContact CB-CG2 4.21Å; K354-T370 HydrophobicContact CD-CG2 4.12Å; K354-T370 HydrophobicContact CG-CG2 4.36Å; K354-T370 PolarHBondContact NZ-OG1 3.18Å; F355-T370 HydrophobicContact CB-CG2 3.99Å; E358-T370 PolarHBondContact OE1-OG1 3.45Å; E358-T370 WeakPolarHBondContact OE2-CB 3.48Å; E358-T370 PolarHBondContact OE2-OG1 3.39Å; C366-T370 PolarHBondContact O-N 2.94Å; C366-T370 PolarHBondContact O-OG1 3.24Å; A367-T370 PolarHBondContact O-N 2.96Å; R368-T370 VanDerWaalsContact C-N 3.29Å; R368-T370 PolarHBondContact O-N 3.42Å; T370-R373 PolarHBondContact O-N 3.43Å; T370-L374 PolarHBondContact O-N 3.14Å |
| 371 | I | 95.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.4 | -36.2 | 179.5 | -154.3 | 69.8 | 0 | 0 | 0 | 112.2 | F355 A367 R368 L374 R375 T396 A399 L403 | F355-I371 HydrophobicContact CD2-CB 3.96Å; F355-I371 HydrophobicContact CD2-CD1 4.01Å; F355-I371 HydrophobicContact CD2-CG1 4.45Å; F355-I371 HydrophobicContact CE2-CB 3.9Å; F355-I371 HydrophobicContact CE2-CD1 4.06Å; F355-I371 HydrophobicContact CE2-CG1 4.23Å; F355-I371 HydrophobicContact CG-CD1 4.46Å; A367-I371 PolarHBondContact O-N 3.4Å; R368-I371 WeakPolarHBondContact O-CG2 3.44Å; R368-I371 PolarHBondContact O-N 3.01Å; I371-L374 HydrophobicContact CD1-CD2 4.16Å; I371-L374 PolarHBondContact O-N 3.39Å; I371-R375 PolarHBondContact O-N 3.41Å; I371-T396 HydrophobicContact CD1-CG2 4.05Å; I371-T396 HydrophobicContact CG1-CG2 4.4Å; I371-A399 HydrophobicContact CD1-CB 3.6Å; I371-A399 HydrophobicContact CG1-CB 3.81Å; I371-L403 HydrophobicContact CB-CD1 4.38Å; I371-L403 HydrophobicContact CG2-CD1 3.66Å |
| 372 | Q | 94.6 | Very high | 92.5 | Very high | 36 Ų | 36 | 41 Ų | 41 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.5 | -72.9 | 177 | -0.7 | 0 | 0 | 111.4 | R368 L374 R375 K376 E417 | R368-Q372 WeakPolarHBondContact O-CB 3.34Å; R368-Q372 VanDerWaalsContact O-CG 3.27Å; R368-Q372 WeakPolarHBondContact O-CG 3.3Å; R368-Q372 PolarHBondContact O-N 3.3Å; Q372-L374 VanDerWaalsContact C-N 3.33Å; Q372-R375 PolarHBondContact O-N 2.98Å; Q372-K376 WeakPolarHBondContact O-CG 3.49Å; Q372-K376 PolarHBondContact O-N 2.87Å; Q372-K376 VanDerWaalsContact O-N 3.09Å; Q372-E417 PolarHBondContact NE2-OE1 3.03Å; Q372-E417 PolarHBondContact NE2-OE2 2.9Å |
| 373 | R | 94.9 | Very high | 92.2 | Very high | 75 Ų | 75 | 46.4 Ų | 46.4 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 173.8 | -176.4 | 178.8 | 178.4 | 178 | 1.8 | 110.4 | E334 D338 L351 C369 T370 R375 K376 I377 | E334-R373 IonicContact OE1-NH1 3.51Å; E334-R373 PolarHBondContact OE1-NH1 3.17Å; E334-R373 IonicContact OE2-NH1 3.5Å; D338-R373 IonicContact OD1-NH1 2.67Å; D338-R373 IonicContact OD1-NH2 2.94Å; D338-R373 PolarHBondContact OD1-NH2 2.94Å; L351-R373 HydrophobicContact CD1-CG 4.05Å; C369-R373 WeakPolarHBondContact O-CB 3.32Å; C369-R373 PolarHBondContact O-N 3.45Å; T370-R373 PolarHBondContact O-N 3.43Å; R373-R375 PolarHBondContact O-N 3.29Å; R373-K376 PolarHBondContact O-N 3.37Å; R373-I377 HydrophobicContact CG-CD1 4.06Å; R373-I377 WeakPolarHBondContact O-CD1 3.31Å; R373-I377 WeakPolarHBondContact O-CG1 3.02Å; R373-I377 PolarHBondContact O-N 3.49Å |
| 374 | L | 95.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 179.3 | -176.5 | 57.5 | 0 | 0 | 0 | 112.3 | V348 L351 R352 T370 I371 Q372 I377 L378 T396 | V348-L374 HydrophobicContact CB-CD1 4.09Å; V348-L374 HydrophobicContact CG1-CD1 4.08Å; V348-L374 HydrophobicContact CG2-CD1 3.76Å; L351-L374 HydrophobicContact CB-CB 4.46Å; L351-L374 HydrophobicContact CB-CD1 4.22Å; L351-L374 HydrophobicContact CD1-CB 4.32Å; L351-L374 HydrophobicContact CD1-CD1 4.26Å; R352-L374 HydrophobicContact CG-CD2 3.8Å; T370-L374 PolarHBondContact O-N 3.14Å; I371-L374 HydrophobicContact CD1-CD2 4.16Å; I371-L374 PolarHBondContact O-N 3.39Å; Q372-L374 VanDerWaalsContact C-N 3.33Å; L374-I377 PolarHBondContact O-N 3.23Å; L374-L378 HydrophobicContact CD1-CD1 3.88Å; L374-L378 HydrophobicContact CD1-CG 4.25Å; L374-L378 HydrophobicContact CG-CD1 3.79Å; L374-L378 WeakPolarHBondContact O-CG 3.06Å; L374-L378 PolarHBondContact O-N 2.76Å; L374-T396 HydrophobicContact CB-CG2 4.32Å; L374-T396 HydrophobicContact CD2-CG2 3.82Å; L374-T396 HydrophobicContact CG-CG2 3.78Å |
| 375 | R | 95.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 176.2 | 174.8 | 178 | 60.7 | 122.3 | -13.8 | 112.3 | I371 Q372 R373 I377 L378 E379 L393 D414 Y416 Y441 | I371-R375 PolarHBondContact O-N 3.41Å; Q372-R375 PolarHBondContact O-N 2.98Å; R373-R375 PolarHBondContact O-N 3.29Å; R375-I377 PolarHBondContact O-N 2.87Å; R375-L378 PolarHBondContact O-N 3.04Å; R375-E379 WeakPolarHBondContact CD-OE1 3.4Å; R375-E379 HydrophobicContact CG-CG 4.15Å; R375-E379 VanDerWaalsContact CG-OE1 3.29Å; R375-E379 WeakPolarHBondContact CG-OE1 3.39Å; R375-E379 IonicContact NH1-OE1 3.59Å; R375-E379 PolarHBondContact O-N 3.42Å; R375-L393 HydrophobicContact CG-CD1 4.28Å; R375-D414 IonicContact NH2-OD1 3.35Å; R375-D414 IonicContact NH2-OD2 3.11Å; R375-D414 PolarHBondContact NH2-OD2 3.5Å; R375-Y416 VanDerWaalsContact CD-CE1 3.41Å; R375-Y416 VanDerWaalsContact CZ-CG 3.44Å; R375-Y416 VanDerWaalsContact NH1-CD1 3.3Å; R375-Y441 HydrophobicContact CG-CE2 4.49Å |
| 376 | K | 93.6 | Very high | 89.7 | Confident | 136 Ų | 136 | 50.8 Ų | 50.8 | 59% | 0.591 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.8 | -30.4 | -179.7 | -73.5 | 177 | -179.7 | 177.7 | 0 | 112.9 | Q372 R373 P380 | Q372-K376 WeakPolarHBondContact O-CG 3.49Å; Q372-K376 PolarHBondContact O-N 2.87Å; Q372-K376 VanDerWaalsContact O-N 3.09Å; R373-K376 PolarHBondContact O-N 3.37Å; K376-P380 VanDerWaalsContact O-CD 3.29Å; K376-P380 WeakPolarHBondContact O-CD 3.33Å |
| 377 | I | 92.6 | Very high | 89 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -75.8 | -42.2 | 174.9 | -65 | 157.8 | 0 | 0 | 0 | 110.6 | L347 L351 R373 L374 R375 P380 L381 | L347-I377 HydrophobicContact CD2-CD1 3.48Å; L347-I377 VanDerWaalsContact CD2-CD1 3.48Å; L347-I377 HydrophobicContact CD2-CG1 4.3Å; L347-I377 HydrophobicContact CG-CD1 3.9Å; L351-I377 HydrophobicContact CD1-CD1 3.7Å; R373-I377 HydrophobicContact CG-CD1 4.06Å; R373-I377 WeakPolarHBondContact O-CD1 3.31Å; R373-I377 WeakPolarHBondContact O-CG1 3.02Å; R373-I377 PolarHBondContact O-N 3.49Å; L374-I377 PolarHBondContact O-N 3.23Å; R375-I377 PolarHBondContact O-N 2.87Å; I377-P380 WeakPolarHBondContact O-CD 3.02Å; I377-P380 WeakPolarHBondContact O-CG 3.36Å; I377-L381 HydrophobicContact CG2-CD1 3.89Å; I377-L381 VanDerWaalsContact O-CD1 3.29Å; I377-L381 WeakPolarHBondContact O-CD1 3.24Å; I377-L381 VanDerWaalsContact O-CG 3.31Å; I377-L381 WeakPolarHBondContact O-CG 3.42Å |
| 378 | L | 93.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76.8 | -34.8 | -173.8 | -74.2 | 169.6 | 0 | 0 | 0 | 114.4 | V348 L374 R375 L381 S382 W389 L393 T396 | V348-L378 HydrophobicContact CG2-CD2 3.78Å; V348-L378 HydrophobicContact CG2-CG 4.22Å; L374-L378 HydrophobicContact CD1-CD1 3.88Å; L374-L378 HydrophobicContact CD1-CG 4.25Å; L374-L378 HydrophobicContact CG-CD1 3.79Å; L374-L378 WeakPolarHBondContact O-CG 3.06Å; L374-L378 PolarHBondContact O-N 2.76Å; R375-L378 PolarHBondContact O-N 3.04Å; L378-L381 PolarHBondContact O-N 2.89Å; L378-L381 VanDerWaalsContact O-N 3.15Å; L378-S382 WeakPolarHBondContact O-CB 3.06Å; L378-S382 PolarHBondContact O-N 3.28Å; L378-W389 HydrophobicContact CD2-CB 4.44Å; L378-W389 HydrophobicContact CD2-CD2 4.34Å; L378-W389 HydrophobicContact CD2-CE3 3.5Å; L378-W389 HydrophobicContact CD2-CZ3 4.2Å; L378-L393 HydrophobicContact CB-CB 4.37Å; L378-L393 HydrophobicContact CB-CD1 3.89Å; L378-T396 HydrophobicContact CD1-CG2 3.76Å |
| 379 | E | 92.1 | Very high | 88.4 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -49.1 | -58.3 | 179.6 | -81.9 | 172 | -177.8 | 0 | 0 | 112.4 | R375 L381 S382 H383 L393 Y441 | R375-E379 WeakPolarHBondContact CD-OE1 3.4Å; R375-E379 HydrophobicContact CG-CG 4.15Å; R375-E379 VanDerWaalsContact CG-OE1 3.29Å; R375-E379 WeakPolarHBondContact CG-OE1 3.39Å; R375-E379 IonicContact NH1-OE1 3.59Å; R375-E379 PolarHBondContact O-N 3.42Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.26Å; E379-S382 PolarHBondContact O-N 3.47Å; E379-S382 PolarHBondContact O-OG 3.13Å; E379-H383 PolarHBondContact O-CD2 3.15Å; E379-L393 HydrophobicContact CG-CD1 3.96Å; E379-Y441 VanDerWaalsContact CD-OH 3.29Å; E379-Y441 PolarHBondContact OE1-OH 2.87Å |
| 380 | P | 91.3 | Very high | 88.1 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -34.8 | 179 | 25 | -33.7 | 0 | 0 | 0 | 112.9 | K376 I377 S382 | K376-P380 VanDerWaalsContact O-CD 3.29Å; K376-P380 WeakPolarHBondContact O-CD 3.33Å; I377-P380 WeakPolarHBondContact O-CD 3.02Å; I377-P380 WeakPolarHBondContact O-CG 3.36Å; P380-S382 VanDerWaalsContact C-N 3.32Å; P380-S382 PolarHBondContact O-N 2.71Å |
| 381 | L | 88.5 | Confident | 87.8 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.6 | -27.9 | -179.6 | -66 | 173.2 | 0 | 0 | 0 | 112.8 | P344 I377 L378 E379 H383 V384 G385 W389 | P344-L381 HydrophobicContact CB-CD1 3.74Å; P344-L381 HydrophobicContact CG-CD1 4.41Å; I377-L381 HydrophobicContact CG2-CD1 3.89Å; I377-L381 VanDerWaalsContact O-CD1 3.29Å; I377-L381 WeakPolarHBondContact O-CD1 3.24Å; I377-L381 VanDerWaalsContact O-CG 3.31Å; I377-L381 WeakPolarHBondContact O-CG 3.42Å; L378-L381 PolarHBondContact O-N 2.89Å; L378-L381 VanDerWaalsContact O-N 3.15Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.26Å; L381-H383 VanDerWaalsContact C-N 3.26Å; L381-H383 PolarHBondContact O-N 3.14Å; L381-V384 PolarHBondContact O-N 3.44Å; L381-G385 WeakPolarHBondContact O-CA 3.47Å; L381-G385 PolarHBondContact O-N 2.84Å; L381-W389 HydrophobicContact CB-CD2 4.47Å; L381-W389 HydrophobicContact CB-CG 4.21Å |
| 382 | S | 85.4 | Confident | 87.6 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.8 | -23.2 | -178.2 | 77 | 0 | 0 | 0 | 0 | 113.9 | L378 E379 P380 R390 | L378-S382 WeakPolarHBondContact O-CB 3.06Å; L378-S382 PolarHBondContact O-N 3.28Å; E379-S382 PolarHBondContact O-N 3.47Å; E379-S382 PolarHBondContact O-OG 3.13Å; P380-S382 VanDerWaalsContact C-N 3.32Å; P380-S382 PolarHBondContact O-N 2.71Å; S382-R390 PolarHBondContact O-NE 2.82Å; S382-R390 VanDerWaalsContact O-NE 3.15Å |
| 383 | H | 82.5 | Confident | 87.5 | Confident | 150 Ų | 150 | 59.2 Ų | 59.2 | 69% | 0.694 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -81.7 | -34.2 | 177.8 | -65.3 | -66.1 | 0 | 0 | 0 | 112.8 | E379 L381 | E379-H383 PolarHBondContact O-CD2 3.15Å; L381-H383 VanDerWaalsContact C-N 3.26Å; L381-H383 PolarHBondContact O-N 3.14Å |
| 384 | V | 76.9 | Confident | 87.3 | Confident | 135 Ų | 135 | 56.6 Ų | 56.6 | 82% | 0.818 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -108.8 | -30.7 | -169.5 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | L381 | L381-V384 PolarHBondContact O-N 3.44Å |
| 385 | G | 69.2 | Low | 87.2 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 27% | 0.268 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -95.2 | -175.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L381 | L381-G385 WeakPolarHBondContact O-CA 3.47Å; L381-G385 PolarHBondContact O-N 2.84Å |
| 386 | P | 73.1 | Confident | 87.2 | Confident | 85 Ų | 85 | 56 Ų | 56 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | trans | -54 | 149.3 | 177.5 | 15.8 | -30.8 | 0 | 0 | 0 | 113.4 | L388 W389 | P386-L388 PolarHBondContact O-N 3.47Å; P386-W389 VanDerWaalsContact CD-CD1 3.47Å; P386-W389 VanDerWaalsContact O-CD1 3.29Å; P386-W389 PolarHBondContact O-N 3.42Å | ||
| 387 | G | 78.4 | Confident | 87.2 | Confident | 53 Ų | 53 | 49.6 Ų | 49.6 | 55% | 0.546 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -22.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W389 R390 H391 | G387-W389 PolarHBondContact O-N 2.92Å; G387-R390 WeakPolarHBondContact O-CB 3.42Å; G387-R390 PolarHBondContact O-N 3.3Å; G387-R390 VanDerWaalsContact O-N 3.09Å; G387-H391 PolarHBondContact O-N 2.93Å |
| 388 | L | 85.7 | Confident | 87.3 | Confident | 80 Ų | 80 | 48 Ų | 48 | 42% | 0.419 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.8 | -33 | 172.6 | -171.7 | 66 | 0 | 0 | 0 | 113.2 | P386 R390 H391 Y392 | P386-L388 PolarHBondContact O-N 3.47Å; L388-R390 VanDerWaalsContact C-N 3.3Å; L388-R390 PolarHBondContact O-N 3.38Å; L388-H391 WeakPolarHBondContact O-CB 3.38Å; L388-H391 PolarHBondContact O-N 3.31Å; L388-Y392 HydrophobicContact CD1-CE1 4.4Å; L388-Y392 HydrophobicContact CD1-CE2 4.23Å; L388-Y392 HydrophobicContact CD2-CE2 3.78Å; L388-Y392 HydrophobicContact CG-CD2 4.2Å; L388-Y392 HydrophobicContact CG-CE2 3.58Å; L388-Y392 PolarHBondContact O-N 2.88Å |
| 389 | W | 89.5 | Confident | 87.4 | Confident | 22 Ų | 22 | 48 Ų | 48 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -34 | 176.5 | -60.1 | 128.8 | 0 | 0 | 0 | 112.6 | P344 H345 V348 L378 L381 P386 G387 H391 Y392 L393 | P344-W389 HydrophobicContact CB-CH2 4.22Å; P344-W389 HydrophobicContact CB-CZ2 4.38Å; H345-W389 HydrophobicContact CB-CH2 4.09Å; V348-W389 HydrophobicContact CB-CZ3 4.08Å; V348-W389 HydrophobicContact CG1-CZ3 4.21Å; V348-W389 HydrophobicContact CG2-CE3 4.42Å; V348-W389 HydrophobicContact CG2-CZ3 3.79Å; L378-W389 HydrophobicContact CD2-CB 4.44Å; L378-W389 HydrophobicContact CD2-CD2 4.34Å; L378-W389 HydrophobicContact CD2-CE3 3.5Å; L378-W389 HydrophobicContact CD2-CZ3 4.2Å; L381-W389 HydrophobicContact CB-CD2 4.47Å; L381-W389 HydrophobicContact CB-CG 4.21Å; P386-W389 VanDerWaalsContact CD-CD1 3.47Å; P386-W389 VanDerWaalsContact O-CD1 3.29Å; P386-W389 PolarHBondContact O-N 3.42Å; G387-W389 PolarHBondContact O-N 2.92Å; W389-H391 VanDerWaalsContact C-N 3.31Å; W389-Y392 AromaticContact CE3-CD2 3.8Å; W389-Y392 HydrophobicContact CE3-CD2 3.8Å; W389-Y392 HydrophobicContact CE3-CE2 4.35Å; W389-Y392 HydrophobicContact CZ3-CD2 4.04Å; W389-Y392 HydrophobicContact CZ3-CE2 4.26Å; W389-Y392 PolarHBondContact O-N 3.48Å; W389-L393 WeakPolarHBondContact O-CB 3.38Å; W389-L393 PolarHBondContact O-N 3.42Å |
| 390 | R | 87.8 | Confident | 87.5 | Confident | 112 Ų | 112 | 45.7 Ų | 45.7 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.1 | -34.3 | 174.6 | -63.6 | -177.2 | -169.1 | 151.1 | 0.7 | 111.6 | S382 G387 L388 L393 S394 | S382-R390 PolarHBondContact O-NE 2.82Å; S382-R390 VanDerWaalsContact O-NE 3.15Å; G387-R390 WeakPolarHBondContact O-CB 3.42Å; G387-R390 PolarHBondContact O-N 3.3Å; G387-R390 VanDerWaalsContact O-N 3.09Å; L388-R390 VanDerWaalsContact C-N 3.3Å; L388-R390 PolarHBondContact O-N 3.38Å; R390-L393 PolarHBondContact O-N 3.45Å; R390-S394 PolarHBondContact O-N 2.82Å; R390-S394 PolarHBondContact O-OG 3.48Å |
| 391 | H | 89.2 | Confident | 87.7 | Confident | 90 Ų | 90 | 42 Ų | 42 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.9 | -49.5 | 171.9 | -175.6 | -81.3 | 0 | 0 | 0 | 110.8 | G387 L388 W389 L393 S394 E395 | G387-H391 PolarHBondContact O-N 2.93Å; L388-H391 WeakPolarHBondContact O-CB 3.38Å; L388-H391 PolarHBondContact O-N 3.31Å; W389-H391 VanDerWaalsContact C-N 3.31Å; H391-L393 VanDerWaalsContact C-N 3.3Å; H391-L393 PolarHBondContact O-N 3.01Å; H391-S394 WeakPolarHBondContact O-CB 3.1Å; H391-S394 PolarHBondContact O-N 3.43Å; H391-E395 IonicContact CE1-OE1 3.93Å; H391-E395 PolarHBondContact CE1-OE1 2.91Å; H391-E395 IonicContact ND1-OE1 2.98Å; H391-E395 PolarHBondContact ND1-OE1 3.25Å; H391-E395 PolarHBondContact O-N 3.13Å |
| 392 | Y | 90.9 | Very high | 87.9 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 11% | 0.106 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -34.8 | 176.4 | -63.8 | -38.2 | 0 | 0 | 0 | 112.9 | V348 L388 W389 E395 T396 | V348-Y392 HydrophobicContact CG1-CD2 3.77Å; V348-Y392 HydrophobicContact CG1-CE2 4.1Å; V348-Y392 HydrophobicContact CG1-CG 4.18Å; L388-Y392 HydrophobicContact CD1-CE1 4.4Å; L388-Y392 HydrophobicContact CD1-CE2 4.23Å; L388-Y392 HydrophobicContact CD2-CE2 3.78Å; L388-Y392 HydrophobicContact CG-CD2 4.2Å; L388-Y392 HydrophobicContact CG-CE2 3.58Å; L388-Y392 PolarHBondContact O-N 2.88Å; W389-Y392 AromaticContact CE3-CD2 3.8Å; W389-Y392 HydrophobicContact CE3-CD2 3.8Å; W389-Y392 HydrophobicContact CE3-CE2 4.35Å; W389-Y392 HydrophobicContact CZ3-CD2 4.04Å; W389-Y392 HydrophobicContact CZ3-CE2 4.26Å; W389-Y392 PolarHBondContact O-N 3.48Å; Y392-E395 WeakPolarHBondContact O-CB 3.22Å; Y392-E395 PolarHBondContact O-N 3.44Å; Y392-T396 WeakPolarHBondContact O-CG2 3.26Å; Y392-T396 PolarHBondContact O-N 3.42Å |
| 393 | L | 92.2 | Very high | 88.3 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 175.1 | -171.6 | 64 | 0 | 0 | 0 | 111.2 | R375 L378 E379 W389 R390 H391 E395 T396 E397 Y441 | R375-L393 HydrophobicContact CG-CD1 4.28Å; L378-L393 HydrophobicContact CB-CB 4.37Å; L378-L393 HydrophobicContact CB-CD1 3.89Å; E379-L393 HydrophobicContact CG-CD1 3.96Å; W389-L393 WeakPolarHBondContact O-CB 3.38Å; W389-L393 PolarHBondContact O-N 3.42Å; R390-L393 PolarHBondContact O-N 3.45Å; H391-L393 VanDerWaalsContact C-N 3.3Å; H391-L393 PolarHBondContact O-N 3.01Å; L393-E395 VanDerWaalsContact C-N 3.33Å; L393-E395 PolarHBondContact O-N 2.82Å; L393-T396 PolarHBondContact O-N 3.19Å; L393-T396 VanDerWaalsContact O-N 3.11Å; L393-T396 PolarHBondContact O-OG1 3.36Å; L393-E397 PolarHBondContact O-N 2.71Å; L393-Y441 HydrophobicContact CD1-CD2 3.9Å; L393-Y441 HydrophobicContact CD1-CE2 3.91Å; L393-Y441 HydrophobicContact CD1-CG 4.37Å; L393-Y441 HydrophobicContact CD2-CD1 3.68Å; L393-Y441 HydrophobicContact CD2-CD2 4.17Å; L393-Y441 HydrophobicContact CD2-CE1 3.97Å; L393-Y441 HydrophobicContact CD2-CE2 4.39Å; L393-Y441 HydrophobicContact CD2-CG 3.81Å; L393-Y441 HydrophobicContact CG-CD1 4.08Å; L393-Y441 HydrophobicContact CG-CD2 3.68Å; L393-Y441 HydrophobicContact CG-CE2 4.12Å; L393-Y441 HydrophobicContact CG-CG 3.66Å |
| 394 | S | 91.7 | Very high | 88.7 | Confident | 19 Ų | 19 | 32.4 Ų | 32.4 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56 | -46 | 170.3 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | R390 H391 T396 E397 I398 Y441 | R390-S394 PolarHBondContact O-N 2.82Å; R390-S394 PolarHBondContact O-OG 3.48Å; H391-S394 WeakPolarHBondContact O-CB 3.1Å; H391-S394 PolarHBondContact O-N 3.43Å; S394-T396 VanDerWaalsContact C-N 3.27Å; S394-T396 PolarHBondContact O-N 3.3Å; S394-E397 PolarHBondContact O-N 2.89Å; S394-E397 VanDerWaalsContact O-N 3.09Å; S394-I398 WeakPolarHBondContact O-CG1 3.21Å; S394-I398 PolarHBondContact O-N 2.97Å; S394-I398 VanDerWaalsContact O-N 3.13Å; S394-Y441 PolarHBondContact OG-O 3.34Å |
| 395 | E | 92.1 | Very high | 89.4 | Confident | 11 Ų | 11 | 26.9 Ų | 26.9 | 5% | 0.051 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.6 | -37.4 | 176.1 | -71.8 | -178.8 | -175.2 | 0 | 0 | 112.2 | R352 H391 Y392 L393 E397 I398 A399 S478 L481 | R352-E395 IonicContact CZ-OE1 3.37Å; R352-E395 IonicContact CZ-OE2 3.52Å; R352-E395 IonicContact NE-OE2 2.97Å; R352-E395 PolarHBondContact NE-OE2 2.91Å; R352-E395 VanDerWaalsContact NH2-CD 3.3Å; R352-E395 IonicContact NH2-OE1 2.92Å; R352-E395 PolarHBondContact NH2-OE1 2.99Å; R352-E395 IonicContact NH2-OE2 3.16Å; R352-E395 PolarHBondContact NH2-OE2 3.49Å; H391-E395 IonicContact CE1-OE1 3.93Å; H391-E395 PolarHBondContact CE1-OE1 2.91Å; H391-E395 IonicContact ND1-OE1 2.98Å; H391-E395 PolarHBondContact ND1-OE1 3.25Å; H391-E395 PolarHBondContact O-N 3.13Å; Y392-E395 WeakPolarHBondContact O-CB 3.22Å; Y392-E395 PolarHBondContact O-N 3.44Å; L393-E395 VanDerWaalsContact C-N 3.33Å; L393-E395 PolarHBondContact O-N 2.82Å; E395-E397 VanDerWaalsContact C-N 3.31Å; E395-E397 PolarHBondContact O-N 3.46Å; E395-I398 PolarHBondContact O-N 3.46Å; E395-A399 VanDerWaalsContact O-CB 3.29Å; E395-A399 WeakPolarHBondContact O-CB 3.3Å; E395-A399 PolarHBondContact O-N 3.43Å; E395-S478 VanDerWaalsContact OE1-CB 3.27Å; E395-S478 WeakPolarHBondContact OE1-CB 3.12Å; E395-L481 HydrophobicContact CB-CD1 4.44Å |
| 396 | T | 94.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.9 | -33.4 | 176.8 | 66.6 | 0 | 0 | 0 | 0 | 113 | I371 L374 L378 Y392 L393 S394 T400 | I371-T396 HydrophobicContact CD1-CG2 4.05Å; I371-T396 HydrophobicContact CG1-CG2 4.4Å; L374-T396 HydrophobicContact CB-CG2 4.32Å; L374-T396 HydrophobicContact CD2-CG2 3.82Å; L374-T396 HydrophobicContact CG-CG2 3.78Å; L378-T396 HydrophobicContact CD1-CG2 3.76Å; Y392-T396 WeakPolarHBondContact O-CG2 3.26Å; Y392-T396 PolarHBondContact O-N 3.42Å; L393-T396 PolarHBondContact O-N 3.19Å; L393-T396 VanDerWaalsContact O-N 3.11Å; L393-T396 PolarHBondContact O-OG1 3.36Å; S394-T396 VanDerWaalsContact C-N 3.27Å; S394-T396 PolarHBondContact O-N 3.3Å; T396-T400 WeakPolarHBondContact O-CB 3.23Å; T396-T400 PolarHBondContact O-N 2.96Å; T396-T400 PolarHBondContact O-OG1 3.48Å |
| 397 | E | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.9 | -45.9 | 174.5 | -173.2 | 170.5 | 149.7 | 0 | 0 | 111.3 | L393 S394 E395 A399 T400 A401 V420 R423 Y424 S440 Y441 | L393-E397 PolarHBondContact O-N 2.71Å; S394-E397 PolarHBondContact O-N 2.89Å; S394-E397 VanDerWaalsContact O-N 3.09Å; E395-E397 VanDerWaalsContact C-N 3.31Å; E395-E397 PolarHBondContact O-N 3.46Å; E397-A399 VanDerWaalsContact C-N 3.33Å; E397-A399 PolarHBondContact O-N 3.02Å; E397-T400 PolarHBondContact O-N 3.4Å; E397-T400 VanDerWaalsContact O-N 3.16Å; E397-A401 PolarHBondContact O-N 3.35Å; E397-V420 HydrophobicContact CG-CG1 4.38Å; E397-V420 HydrophobicContact CG-CG2 4.16Å; E397-R423 IonicContact OE1-CZ 3.46Å; E397-R423 IonicContact OE1-NH1 2.81Å; E397-R423 PolarHBondContact OE1-NH1 2.67Å; E397-R423 IonicContact OE2-NH1 3.15Å; E397-Y424 HydrophobicContact CG-CE2 4.2Å; E397-Y424 WeakPolarHBondContact OE1-CE2 3.43Å; E397-Y424 PolarHBondContact OE1-OH 3.23Å; E397-S440 VanDerWaalsContact CD-OG 3.24Å; E397-S440 WeakPolarHBondContact OE1-CB 3.11Å; E397-S440 PolarHBondContact OE1-OG 3.44Å; E397-S440 WeakPolarHBondContact OE2-CA 3.14Å; E397-S440 PolarHBondContact OE2-OG 2.94Å; E397-Y441 HydrophobicContact CB-CD2 4.32Å; E397-Y441 WeakPolarHBondContact OE2-CB 3.47Å; E397-Y441 PolarHBondContact OE2-N 2.82Å |
| 398 | I | 94.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.7 | -48.2 | 175.8 | -58.5 | 172 | 0 | 0 | 0 | 110.1 | S394 E395 T400 A401 F402 I442 L451 I477 L481 | S394-I398 WeakPolarHBondContact O-CG1 3.21Å; S394-I398 PolarHBondContact O-N 2.97Å; S394-I398 VanDerWaalsContact O-N 3.13Å; E395-I398 PolarHBondContact O-N 3.46Å; I398-T400 VanDerWaalsContact C-N 3.31Å; I398-T400 PolarHBondContact O-N 3.21Å; I398-A401 PolarHBondContact O-N 3.18Å; I398-F402 HydrophobicContact CG2-CD1 4.5Å; I398-F402 HydrophobicContact CG2-CD2 4.29Å; I398-F402 HydrophobicContact CG2-CE1 4Å; I398-F402 HydrophobicContact CG2-CE2 3.76Å; I398-F402 HydrophobicContact CG2-CZ 3.6Å; I398-F402 WeakPolarHBondContact O-CG 3.47Å; I398-F402 PolarHBondContact O-N 2.81Å; I398-I442 HydrophobicContact CD1-CD1 4.36Å; I398-I442 HydrophobicContact CG1-CD1 3.71Å; I398-I442 HydrophobicContact CG1-CG1 4.37Å; I398-L451 HydrophobicContact CB-CD2 4.45Å; I398-L451 HydrophobicContact CG1-CD2 4.08Å; I398-L451 HydrophobicContact CG2-CD1 4.13Å; I398-I477 HydrophobicContact CD1-CG1 3.99Å; I398-I477 HydrophobicContact CG2-CD1 3.95Å; I398-I477 HydrophobicContact CG2-CG1 4.38Å; I398-L481 HydrophobicContact CB-CD1 3.95Å; I398-L481 HydrophobicContact CG2-CD1 3.78Å |
| 399 | A | 95.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F355 I371 E395 E397 F402 L403 L481 | F355-A399 HydrophobicContact CE1-CB 4.27Å; F355-A399 HydrophobicContact CE2-CB 4.29Å; F355-A399 HydrophobicContact CZ-CB 3.77Å; I371-A399 HydrophobicContact CD1-CB 3.6Å; I371-A399 HydrophobicContact CG1-CB 3.81Å; E395-A399 VanDerWaalsContact O-CB 3.29Å; E395-A399 WeakPolarHBondContact O-CB 3.3Å; E395-A399 PolarHBondContact O-N 3.43Å; E397-A399 VanDerWaalsContact C-N 3.33Å; E397-A399 PolarHBondContact O-N 3.02Å; A399-F402 PolarHBondContact O-N 3.37Å; A399-L403 WeakPolarHBondContact O-CG 3.46Å; A399-L403 PolarHBondContact O-N 3.3Å; A399-L481 HydrophobicContact CB-CD1 4.37Å; A399-L481 HydrophobicContact CB-CD2 3.78Å |
| 400 | T | 95.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.3 | -45.4 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | T396 E397 I398 F402 L403 C404 Y416 E417 V420 | T396-T400 WeakPolarHBondContact O-CB 3.23Å; T396-T400 PolarHBondContact O-N 2.96Å; T396-T400 PolarHBondContact O-OG1 3.48Å; E397-T400 PolarHBondContact O-N 3.4Å; E397-T400 VanDerWaalsContact O-N 3.16Å; I398-T400 VanDerWaalsContact C-N 3.31Å; I398-T400 PolarHBondContact O-N 3.21Å; T400-F402 VanDerWaalsContact C-N 3.31Å; T400-F402 PolarHBondContact O-N 2.77Å; T400-L403 PolarHBondContact O-N 3.36Å; T400-C404 PolarHBondContact O-N 3.26Å; T400-C404 PolarHBondContact O-SG 3.01Å; T400-Y416 HydrophobicContact CG2-CD1 4.45Å; T400-Y416 HydrophobicContact CG2-CE1 4Å; T400-E417 HydrophobicContact CG2-CG 3.97Å; T400-V420 HydrophobicContact CG2-CB 4.42Å; T400-V420 HydrophobicContact CG2-CG1 4.15Å |
| 401 | A | 93.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E397 I398 C404 T405 V420 Y424 L451 I455 | E397-A401 PolarHBondContact O-N 3.35Å; I398-A401 PolarHBondContact O-N 3.18Å; A401-C404 PolarHBondContact O-N 2.92Å; A401-T405 WeakPolarHBondContact O-CB 3.38Å; A401-T405 PolarHBondContact O-N 3.43Å; A401-T405 PolarHBondContact O-OG1 3.33Å; A401-V420 HydrophobicContact CB-CG1 3.93Å; A401-Y424 HydrophobicContact CB-CD2 3.76Å; A401-Y424 HydrophobicContact CB-CE2 4.2Å; A401-Y424 HydrophobicContact CB-CG 4.43Å; A401-L451 HydrophobicContact CB-CD2 4.28Å; A401-I455 HydrophobicContact CB-CD1 4.45Å |
| 402 | F | 93.7 | Very high | 88 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.6 | -69.9 | -4.5 | 0 | 0 | 0 | 112.7 | I398 A399 T400 T405 A406 L451 F454 I455 M473 I477 L481 F484 A485 L488 | I398-F402 HydrophobicContact CG2-CD1 4.5Å; I398-F402 HydrophobicContact CG2-CD2 4.29Å; I398-F402 HydrophobicContact CG2-CE1 4Å; I398-F402 HydrophobicContact CG2-CE2 3.76Å; I398-F402 HydrophobicContact CG2-CZ 3.6Å; I398-F402 WeakPolarHBondContact O-CG 3.47Å; I398-F402 PolarHBondContact O-N 2.81Å; A399-F402 PolarHBondContact O-N 3.37Å; T400-F402 VanDerWaalsContact C-N 3.31Å; T400-F402 PolarHBondContact O-N 2.77Å; F402-T405 PolarHBondContact O-N 3.34Å; F402-A406 WeakPolarHBondContact O-CB 3.19Å; F402-A406 PolarHBondContact O-N 3.05Å; F402-L451 HydrophobicContact CD1-CD1 4.13Å; F402-L451 HydrophobicContact CE1-CD1 3.43Å; F402-L451 VanDerWaalsContact CE1-CD1 3.43Å; F402-L451 HydrophobicContact CZ-CD1 4.19Å; F402-F454 HydrophobicContact CD1-CD1 4.31Å; F402-F454 AromaticContact CD1-CE1 3.92Å; F402-F454 HydrophobicContact CD1-CE1 3.92Å; F402-F454 AromaticContact CE1-CD1 3.58Å; F402-F454 HydrophobicContact CE1-CD1 3.58Å; F402-F454 AromaticContact CE1-CE1 3.42Å; F402-F454 HydrophobicContact CE1-CE1 3.42Å; F402-F454 VanDerWaalsContact CE1-CE1 3.42Å; F402-F454 HydrophobicContact CE1-CZ 4.43Å; F402-F454 HydrophobicContact CZ-CD1 4.3Å; F402-F454 HydrophobicContact CZ-CE1 4.01Å; F402-I455 HydrophobicContact CD1-CD1 3.89Å; F402-I455 HydrophobicContact CE1-CD1 4.31Å; F402-M473 HydrophobicContact CZ-CE 4.44Å; F402-I477 HydrophobicContact CZ-CD1 4.05Å; F402-L481 HydrophobicContact CE2-CB 4.14Å; F402-F484 HydrophobicContact CB-CD1 3.75Å; F402-F484 HydrophobicContact CB-CE1 3.44Å; F402-F484 VanDerWaalsContact CB-CE1 3.44Å; F402-F484 HydrophobicContact CB-CZ 4.23Å; F402-F484 HydrophobicContact CD2-CD1 4.08Å; F402-F484 HydrophobicContact CG-CD1 4.42Å; F402-A485 HydrophobicContact CD2-CB 4.45Å; F402-A485 HydrophobicContact CE2-CB 3.72Å; F402-A485 HydrophobicContact CZ-CB 3.93Å; F402-L488 HydrophobicContact CB-CD1 3.67Å; F402-L488 HydrophobicContact CD1-CD1 4.05Å; F402-L488 HydrophobicContact CG-CD1 3.86Å |
| 403 | L | 93.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 177.6 | -82 | 173.1 | 0 | 0 | 0 | 112.6 | F355 L364 A367 R368 I371 A399 T400 T405 A406 L407 F484 | F355-L403 HydrophobicContact CE2-CD1 3.63Å; F355-L403 HydrophobicContact CE2-CG 4.14Å; F355-L403 HydrophobicContact CZ-CD1 4.27Å; F355-L403 HydrophobicContact CZ-CG 4.32Å; L364-L403 HydrophobicContact CB-CD2 4.35Å; L364-L403 HydrophobicContact CD2-CD2 4.03Å; A367-L403 HydrophobicContact CB-CD1 4.49Å; A367-L403 HydrophobicContact CB-CD2 3.93Å; R368-L403 HydrophobicContact CB-CD1 4.2Å; I371-L403 HydrophobicContact CB-CD1 4.38Å; I371-L403 HydrophobicContact CG2-CD1 3.66Å; A399-L403 WeakPolarHBondContact O-CG 3.46Å; A399-L403 PolarHBondContact O-N 3.3Å; T400-L403 PolarHBondContact O-N 3.36Å; L403-T405 VanDerWaalsContact C-N 3.28Å; L403-T405 PolarHBondContact O-N 3.16Å; L403-A406 WeakPolarHBondContact O-CB 3.39Å; L403-A406 PolarHBondContact O-N 2.88Å; L403-A406 VanDerWaalsContact O-N 3.13Å; L403-L407 WeakPolarHBondContact O-CB 3.46Å; L403-L407 WeakPolarHBondContact O-CG 3.34Å; L403-L407 PolarHBondContact O-N 3.47Å; L403-F484 HydrophobicContact CD2-CE1 4.04Å; L403-F484 HydrophobicContact CD2-CZ 3.99Å; L403-F484 HydrophobicContact CG-CE1 4.02Å; L403-F484 HydrophobicContact CG-CZ 4.38Å |
| 404 | C | 91.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 178.8 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | T400 A401 L407 G408 F413 Y421 | T400-C404 PolarHBondContact O-N 3.26Å; T400-C404 PolarHBondContact O-SG 3.01Å; A401-C404 PolarHBondContact O-N 2.92Å; C404-L407 PolarHBondContact O-N 3.17Å; C404-G408 PolarHBondContact O-N 3.18Å; C404-F413 HydrophobicContact CB-CE2 3.98Å; C404-F413 HydrophobicContact CB-CZ 3.92Å; C404-Y421 HydrophobicContact CB-CD2 3.41Å; C404-Y421 VanDerWaalsContact CB-CD2 3.41Å; C404-Y421 HydrophobicContact CB-CE2 4.25Å; C404-Y421 HydrophobicContact CB-CG 4.01Å |
| 405 | T | 91.2 | Very high | 87.4 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 172.5 | -59 | 0 | 0 | 0 | 0 | 112.3 | A401 F402 L403 I455 V458 | A401-T405 WeakPolarHBondContact O-CB 3.38Å; A401-T405 PolarHBondContact O-N 3.43Å; A401-T405 PolarHBondContact O-OG1 3.33Å; F402-T405 PolarHBondContact O-N 3.34Å; L403-T405 VanDerWaalsContact C-N 3.28Å; L403-T405 PolarHBondContact O-N 3.16Å; T405-I455 HydrophobicContact CG2-CD1 4.33Å; T405-I455 VanDerWaalsContact OG1-CD1 3.25Å; T405-I455 WeakPolarHBondContact OG1-CD1 3.49Å; T405-V458 HydrophobicContact CG2-CB 4.44Å; T405-V458 HydrophobicContact CG2-CG1 3.78Å |
| 406 | A | 90.4 | Very high | 87.4 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.1 | -36 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L364 F402 L403 F484 L488 | L364-A406 HydrophobicContact CD1-CB 3.7Å; L364-A406 HydrophobicContact CD2-CB 4.37Å; F402-A406 WeakPolarHBondContact O-CB 3.19Å; F402-A406 PolarHBondContact O-N 3.05Å; L403-A406 WeakPolarHBondContact O-CB 3.39Å; L403-A406 PolarHBondContact O-N 2.88Å; L403-A406 VanDerWaalsContact O-N 3.13Å; A406-F484 HydrophobicContact CB-CE2 4.32Å; A406-F484 HydrophobicContact CB-CZ 3.97Å; A406-L488 HydrophobicContact CB-CD2 3.7Å |
| 407 | L | 88.4 | Confident | 87.3 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -83.5 | -22.4 | -178.2 | -71.8 | 170.1 | 0 | 0 | 0 | 112.6 | L364 L403 C404 F413 | L364-L407 HydrophobicContact CB-CD2 3.7Å; L364-L407 HydrophobicContact CB-CG 4.23Å; L364-L407 HydrophobicContact CD1-CD2 4Å; L364-L407 HydrophobicContact CD1-CG 4.36Å; L403-L407 WeakPolarHBondContact O-CB 3.46Å; L403-L407 WeakPolarHBondContact O-CG 3.34Å; L403-L407 PolarHBondContact O-N 3.47Å; C404-L407 PolarHBondContact O-N 3.17Å; L407-F413 HydrophobicContact CB-CE1 4.35Å; L407-F413 HydrophobicContact CB-CZ 4.21Å; L407-F413 HydrophobicContact CD1-CE1 4.19Å |
| 408 | G | 80.5 | Confident | 87.1 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | trans | 73.1 | 169.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C404 T410 F413 | C404-G408 PolarHBondContact O-N 3.18Å; G408-T410 PolarHBondContact O-N 3.45Å; G408-F413 WeakPolarHBondContact O-CE2 3.44Å; G408-F413 WeakPolarHBondContact O-CZ 3.47Å | ||
| 409 | L | 70.9 | Confident | 86.9 | Confident | 140 Ų | 140 | 49.1 Ų | 49.1 | 73% | 0.733 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -61.8 | 112 | 176.7 | -130.5 | 156.9 | 0 | 0 | 0 | 108.7 | Y421 | L409-Y421 HydrophobicContact CB-CE1 4.08Å; L409-Y421 HydrophobicContact CD1-CD1 4.18Å; L409-Y421 HydrophobicContact CD1-CE1 3.51Å; L409-Y421 HydrophobicContact CG-CD1 3.98Å; L409-Y421 HydrophobicContact CG-CE1 3.5Å |
| 410 | T | 69.1 | Low | 86.7 | Confident | 48 Ų | 48 | 49.1 Ų | 49.1 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | trans | -119.4 | 144.7 | 177 | 56.4 | 0 | 0 | 0 | 0 | 109.2 | G408 D412 F413 | G408-T410 PolarHBondContact O-N 3.45Å; T410-D412 PolarHBondContact O-N 3.15Å; T410-D412 VanDerWaalsContact O-N 3.13Å; T410-F413 PolarHBondContact O-N 3.46Å; T410-F413 VanDerWaalsContact OG1-CD1 3.25Å; T410-F413 WeakPolarHBondContact OG1-CD1 2.93Å; T410-F413 WeakPolarHBondContact OG1-CE1 3.3Å | ||
| 411 | E | 63.9 | Low | 86.5 | Confident | 202 Ų | 202 | 49.7 Ų | 49.7 | 94% | 0.944 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.4 | 178 | -64.8 | -174.3 | 169.5 | 0 | 0 | 112.6 | F413 | E411-F413 PolarHBondContact O-N 2.97Š|
| 412 | D | 80.9 | Confident | 86.3 | Confident | 128 Ų | 128 | 52.9 Ų | 52.9 | 68% | 0.684 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 6.5 | -175.5 | -65.2 | -25.5 | 0 | 0 | 0 | 114.5 | T410 | T410-D412 PolarHBondContact O-N 3.15Å; T410-D412 VanDerWaalsContact O-N 3.13Å |
| 413 | F | 84.2 | Confident | 86.1 | Confident | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | trans | -70.8 | 136.4 | 176.9 | -73.5 | -16.6 | 0 | 0 | 0 | 111.7 | C404 L407 G408 T410 E411 E417 S418 Y421 | C404-F413 HydrophobicContact CB-CE2 3.98Å; C404-F413 HydrophobicContact CB-CZ 3.92Å; L407-F413 HydrophobicContact CB-CE1 4.35Å; L407-F413 HydrophobicContact CB-CZ 4.21Å; L407-F413 HydrophobicContact CD1-CE1 4.19Å; G408-F413 WeakPolarHBondContact O-CE2 3.44Å; G408-F413 WeakPolarHBondContact O-CZ 3.47Å; T410-F413 PolarHBondContact O-N 3.46Å; T410-F413 VanDerWaalsContact OG1-CD1 3.25Å; T410-F413 WeakPolarHBondContact OG1-CD1 2.93Å; T410-F413 WeakPolarHBondContact OG1-CE1 3.3Å; E411-F413 PolarHBondContact O-N 2.97Å; F413-E417 HydrophobicContact CB-CB 3.9Å; F413-E417 HydrophobicContact CD1-CB 4.45Å; F413-E417 HydrophobicContact CG-CB 4.13Å; F413-S418 WeakPolarHBondContact CB-OG 3.36Å; F413-Y421 HydrophobicContact CE2-CG 4.41Å | ||
| 414 | D | 88.5 | Confident | 86 | Confident | 48 Ų | 48 | 54.9 Ų | 54.9 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | trans | -67.3 | 169 | 171.4 | 81.9 | 21.1 | 0 | 0 | 0 | 110.9 | R375 Y416 E417 S418 | R375-D414 IonicContact NH2-OD1 3.35Å; R375-D414 IonicContact NH2-OD2 3.11Å; R375-D414 PolarHBondContact NH2-OD2 3.5Å; D414-Y416 PolarHBondContact O-N 3.48Å; D414-Y416 WeakPolarHBondContact OD1-CA 3.46Å; D414-Y416 WeakPolarHBondContact OD1-CB 3.38Å; D414-Y416 PolarHBondContact OD1-N 2.81Å; D414-E417 PolarHBondContact N-OE2 2.87Å; D414-E417 PolarHBondContact O-N 3.44Å; D414-E417 WeakPolarHBondContact OD1-CG 3.46Å; D414-E417 PolarHBondContact OD1-N 2.91Å; D414-S418 WeakPolarHBondContact O-CB 3.29Å; D414-S418 PolarHBondContact O-N 2.95Å; D414-S418 PolarHBondContact O-OG 3.17Å | ||
| 415 | Q | 89.4 | Confident | 85.8 | Confident | 179 Ų | 179 | 56.7 Ų | 56.7 | 84% | 0.836 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.8 | -34.5 | -177.8 | -172.4 | 179.7 | 10.1 | 0 | 0 | 112.4 | A419 | Q415-A419 WeakPolarHBondContact O-CB 3.48Å; Q415-A419 PolarHBondContact O-N 3.44Å; Q415-A419 VanDerWaalsContact O-N 3.15Å |
| 416 | Y | 91.6 | Very high | 85.5 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74.6 | -45.4 | 179.5 | 168.5 | -94.5 | 0 | 0 | 0 | 111.4 | R375 T400 D414 S418 A419 V420 Y441 | R375-Y416 VanDerWaalsContact CD-CE1 3.41Å; R375-Y416 VanDerWaalsContact CZ-CG 3.44Å; R375-Y416 VanDerWaalsContact NH1-CD1 3.3Å; T400-Y416 HydrophobicContact CG2-CD1 4.45Å; T400-Y416 HydrophobicContact CG2-CE1 4Å; D414-Y416 PolarHBondContact O-N 3.48Å; D414-Y416 WeakPolarHBondContact OD1-CA 3.46Å; D414-Y416 WeakPolarHBondContact OD1-CB 3.38Å; D414-Y416 PolarHBondContact OD1-N 2.81Å; Y416-S418 VanDerWaalsContact C-N 3.29Å; Y416-S418 PolarHBondContact O-N 3.33Å; Y416-A419 WeakPolarHBondContact O-CB 3.43Å; Y416-A419 PolarHBondContact O-N 2.88Å; Y416-A419 VanDerWaalsContact O-N 3.14Å; Y416-V420 HydrophobicContact CD1-CG2 4.15Å; Y416-V420 HydrophobicContact CD2-CG2 4.26Å; Y416-V420 HydrophobicContact CE1-CG2 3.72Å; Y416-V420 HydrophobicContact CE2-CG2 3.82Å; Y416-V420 HydrophobicContact CG-CG2 4.41Å; Y416-V420 WeakPolarHBondContact O-CG2 3.43Å; Y416-V420 PolarHBondContact O-N 2.89Å; Y416-Y441 HydrophobicContact CE2-CD2 4.24Å; Y416-Y441 AromaticContact CE2-CE2 3.52Å; Y416-Y441 HydrophobicContact CE2-CE2 3.52Å; Y416-Y441 AromaticContact CZ-CE2 3.76Å; Y416-Y441 WeakPolarHBondContact OH-CD2 3.2Å; Y416-Y441 WeakPolarHBondContact OH-CE2 3.46Å |
| 417 | E | 92.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.009 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 176.3 | -70.9 | 177.4 | 150.2 | 0 | 0 | 111.1 | R368 Q372 T400 F413 D414 A419 V420 Y421 | R368-E417 WeakPolarHBondContact CD-OE1 3.17Å; R368-E417 WeakPolarHBondContact CG-OE1 3.38Å; Q372-E417 PolarHBondContact NE2-OE1 3.03Å; Q372-E417 PolarHBondContact NE2-OE2 2.9Å; T400-E417 HydrophobicContact CG2-CG 3.97Å; F413-E417 HydrophobicContact CB-CB 3.9Å; F413-E417 HydrophobicContact CD1-CB 4.45Å; F413-E417 HydrophobicContact CG-CB 4.13Å; D414-E417 PolarHBondContact N-OE2 2.87Å; D414-E417 PolarHBondContact O-N 3.44Å; D414-E417 WeakPolarHBondContact OD1-CG 3.46Å; D414-E417 PolarHBondContact OD1-N 2.91Å; E417-A419 VanDerWaalsContact C-N 3.32Å; E417-A419 PolarHBondContact O-N 3.24Å; E417-V420 PolarHBondContact O-N 2.96Å; E417-Y421 VanDerWaalsContact O-CB 3.26Å; E417-Y421 WeakPolarHBondContact O-CB 3.39Å; E417-Y421 PolarHBondContact O-N 2.89Å |
| 418 | S | 89.7 | Confident | 84.1 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 175.6 | -61 | 0 | 0 | 0 | 0 | 111.8 | F413 D414 Y416 S422 | F413-S418 WeakPolarHBondContact CB-OG 3.36Å; D414-S418 WeakPolarHBondContact O-CB 3.29Å; D414-S418 PolarHBondContact O-N 2.95Å; D414-S418 PolarHBondContact O-OG 3.17Å; Y416-S418 VanDerWaalsContact C-N 3.29Å; Y416-S418 PolarHBondContact O-N 3.33Å; S418-S422 VanDerWaalsContact O-CB 3.23Å; S418-S422 WeakPolarHBondContact O-CB 3.48Å; S418-S422 PolarHBondContact O-N 3.15Å; S418-S422 PolarHBondContact O-OG 3.5Å |
| 419 | A | 90.2 | Very high | 83.8 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.6 | -46.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q415 Y416 E417 S422 R423 | Q415-A419 WeakPolarHBondContact O-CB 3.48Å; Q415-A419 PolarHBondContact O-N 3.44Å; Q415-A419 VanDerWaalsContact O-N 3.15Å; Y416-A419 WeakPolarHBondContact O-CB 3.43Å; Y416-A419 PolarHBondContact O-N 2.88Å; Y416-A419 VanDerWaalsContact O-N 3.14Å; E417-A419 VanDerWaalsContact C-N 3.32Å; E417-A419 PolarHBondContact O-N 3.24Å; A419-S422 PolarHBondContact O-N 3.34Å; A419-R423 VanDerWaalsContact O-CB 3.25Å; A419-R423 WeakPolarHBondContact O-CB 3.42Å; A419-R423 PolarHBondContact O-N 3.29Å |
| 420 | V | 92 | Very high | 83.7 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.3 | -50.4 | 176.5 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | E397 T400 A401 Y416 E417 S422 R423 Y424 | E397-V420 HydrophobicContact CG-CG1 4.38Å; E397-V420 HydrophobicContact CG-CG2 4.16Å; T400-V420 HydrophobicContact CG2-CB 4.42Å; T400-V420 HydrophobicContact CG2-CG1 4.15Å; A401-V420 HydrophobicContact CB-CG1 3.93Å; Y416-V420 HydrophobicContact CD1-CG2 4.15Å; Y416-V420 HydrophobicContact CD2-CG2 4.26Å; Y416-V420 HydrophobicContact CE1-CG2 3.72Å; Y416-V420 HydrophobicContact CE2-CG2 3.82Å; Y416-V420 HydrophobicContact CG-CG2 4.41Å; Y416-V420 WeakPolarHBondContact O-CG2 3.43Å; Y416-V420 PolarHBondContact O-N 2.89Å; E417-V420 PolarHBondContact O-N 2.96Å; V420-S422 VanDerWaalsContact C-N 3.34Å; V420-S422 PolarHBondContact O-N 3Å; V420-R423 WeakPolarHBondContact O-CB 3.49Å; V420-R423 PolarHBondContact O-N 2.88Å; V420-Y424 HydrophobicContact CG1-CD2 3.9Å; V420-Y424 HydrophobicContact CG1-CE2 3.95Å; V420-Y424 WeakPolarHBondContact O-CD2 3.44Å; V420-Y424 PolarHBondContact O-N 3.35Å |
| 421 | Y | 90.4 | Very high | 83.9 | Confident | 15 Ų | 15 | 73 Ų | 73 | 6% | 0.059 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | -179.8 | -174.8 | -105 | 0 | 0 | 0 | 111.4 | C404 L409 F413 E417 R423 Y424 T425 | C404-Y421 HydrophobicContact CB-CD2 3.41Å; C404-Y421 VanDerWaalsContact CB-CD2 3.41Å; C404-Y421 HydrophobicContact CB-CE2 4.25Å; C404-Y421 HydrophobicContact CB-CG 4.01Å; L409-Y421 HydrophobicContact CB-CE1 4.08Å; L409-Y421 HydrophobicContact CD1-CD1 4.18Å; L409-Y421 HydrophobicContact CD1-CE1 3.51Å; L409-Y421 HydrophobicContact CG-CD1 3.98Å; L409-Y421 HydrophobicContact CG-CE1 3.5Å; F413-Y421 HydrophobicContact CE2-CG 4.41Å; E417-Y421 VanDerWaalsContact O-CB 3.26Å; E417-Y421 WeakPolarHBondContact O-CB 3.39Å; E417-Y421 PolarHBondContact O-N 2.89Å; Y421-R423 VanDerWaalsContact C-N 3.34Å; Y421-R423 PolarHBondContact O-N 3.02Å; Y421-Y424 PolarHBondContact O-N 3.22Å; Y421-T425 HydrophobicContact CD1-CG2 4.35Å; Y421-T425 HydrophobicContact CD2-CG2 4.02Å; Y421-T425 HydrophobicContact CE1-CG2 3.99Å; Y421-T425 HydrophobicContact CE2-CG2 3.7Å; Y421-T425 HydrophobicContact CG-CG2 4.37Å; Y421-T425 WeakPolarHBondContact O-CB 3.37Å; Y421-T425 WeakPolarHBondContact O-CG2 3.38Å; Y421-T425 PolarHBondContact O-N 3.45Å; Y421-T425 PolarHBondContact O-OG1 2.91Å |
| 422 | S | 88.9 | Confident | 84.3 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 178.4 | -60.1 | 0 | 0 | 0 | 0 | 112 | S418 A419 V420 Y424 T425 A426 | S418-S422 VanDerWaalsContact O-CB 3.23Å; S418-S422 WeakPolarHBondContact O-CB 3.48Å; S418-S422 PolarHBondContact O-N 3.15Å; S418-S422 PolarHBondContact O-OG 3.5Å; A419-S422 PolarHBondContact O-N 3.34Å; V420-S422 VanDerWaalsContact C-N 3.34Å; V420-S422 PolarHBondContact O-N 3Å; S422-Y424 VanDerWaalsContact C-N 3.33Å; S422-Y424 PolarHBondContact O-N 3.38Å; S422-T425 PolarHBondContact O-N 2.95Å; S422-A426 WeakPolarHBondContact O-CB 3.46Å; S422-A426 PolarHBondContact O-N 3.42Å |
| 423 | R | 90 | Very high | 84 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 178.9 | -172.8 | -175.8 | -60.9 | 154.8 | -10.2 | 112.2 | E397 A419 V420 Y421 N438 G439 S440 Y448 | E397-R423 IonicContact OE1-CZ 3.46Å; E397-R423 IonicContact OE1-NH1 2.81Å; E397-R423 PolarHBondContact OE1-NH1 2.67Å; E397-R423 IonicContact OE2-NH1 3.15Å; A419-R423 VanDerWaalsContact O-CB 3.25Å; A419-R423 WeakPolarHBondContact O-CB 3.42Å; A419-R423 PolarHBondContact O-N 3.29Å; V420-R423 WeakPolarHBondContact O-CB 3.49Å; V420-R423 PolarHBondContact O-N 2.88Å; Y421-R423 VanDerWaalsContact C-N 3.34Å; Y421-R423 PolarHBondContact O-N 3.02Å; R423-N438 PolarHBondContact NH2-O 2.97Å; R423-G439 PolarHBondContact NH2-O 3.45Å; R423-S440 VanDerWaalsContact NH1-CA 3.27Å; R423-Y448 HydrophobicContact CG-CE2 3.98Å; R423-Y448 WeakPolarHBondContact CG-OH 3.41Å |
| 424 | Y | 91.1 | Very high | 83.6 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 0% | 0.004 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -92 | -12.5 | -175.9 | -64.1 | -66.5 | 0 | 0 | 0 | 114.7 | E397 A401 V420 Y421 S422 S440 I442 Y448 L451 R452 | E397-Y424 HydrophobicContact CG-CE2 4.2Å; E397-Y424 WeakPolarHBondContact OE1-CE2 3.43Å; E397-Y424 PolarHBondContact OE1-OH 3.23Å; A401-Y424 HydrophobicContact CB-CD2 3.76Å; A401-Y424 HydrophobicContact CB-CE2 4.2Å; A401-Y424 HydrophobicContact CB-CG 4.43Å; V420-Y424 HydrophobicContact CG1-CD2 3.9Å; V420-Y424 HydrophobicContact CG1-CE2 3.95Å; V420-Y424 WeakPolarHBondContact O-CD2 3.44Å; V420-Y424 PolarHBondContact O-N 3.35Å; Y421-Y424 PolarHBondContact O-N 3.22Å; S422-Y424 VanDerWaalsContact C-N 3.33Å; S422-Y424 PolarHBondContact O-N 3.38Å; Y424-S440 PolarHBondContact OH-OG 2.95Å; Y424-I442 WeakPolarHBondContact OH-CD1 3.25Å; Y424-Y448 HydrophobicContact CD1-CE2 4.35Å; Y424-Y448 AromaticContact CE1-CD2 3.6Å; Y424-Y448 HydrophobicContact CE1-CD2 3.6Å; Y424-Y448 AromaticContact CE1-CE2 3.43Å; Y424-Y448 HydrophobicContact CE1-CE2 3.43Å; Y424-Y448 VanDerWaalsContact CE1-CE2 3.43Å; Y424-Y448 AromaticContact CZ-CD2 3.91Å; Y424-Y448 AromaticContact CZ-CE2 3.76Å; Y424-Y448 WeakPolarHBondContact OH-CD2 3.35Å; Y424-L451 HydrophobicContact CD1-CD2 4.04Å; Y424-L451 HydrophobicContact CD1-CG 4Å; Y424-L451 HydrophobicContact CD2-CD2 4.38Å; Y424-L451 HydrophobicContact CE1-CB 4.3Å; Y424-L451 HydrophobicContact CE1-CD2 3.56Å; Y424-L451 HydrophobicContact CE1-CG 3.91Å; Y424-L451 HydrophobicContact CE2-CD2 3.96Å; Y424-L451 HydrophobicContact CG-CD2 4.44Å; Y424-R452 HydrophobicContact CD1-CB 3.99Å; Y424-R452 HydrophobicContact CD1-CG 4.45Å |
| 425 | T | 88.8 | Confident | 83.1 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 23% | 0.233 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -103.6 | -18.6 | 177.3 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | Y421 S422 I455 L456 | Y421-T425 HydrophobicContact CD1-CG2 4.35Å; Y421-T425 HydrophobicContact CD2-CG2 4.02Å; Y421-T425 HydrophobicContact CE1-CG2 3.99Å; Y421-T425 HydrophobicContact CE2-CG2 3.7Å; Y421-T425 HydrophobicContact CG-CG2 4.37Å; Y421-T425 WeakPolarHBondContact O-CB 3.37Å; Y421-T425 WeakPolarHBondContact O-CG2 3.38Å; Y421-T425 PolarHBondContact O-N 3.45Å; Y421-T425 PolarHBondContact O-OG1 2.91Å; S422-T425 PolarHBondContact O-N 2.95Å; T425-I455 HydrophobicContact CG2-CG2 3.95Å; T425-L456 WeakPolarHBondContact O-CD2 3.26Å |
| 426 | A | 84.2 | Confident | 82.1 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 35% | 0.347 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -64.7 | 141.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | S422 R452 | S422-A426 WeakPolarHBondContact O-CB 3.46Å; S422-A426 PolarHBondContact O-N 3.42Å; A426-R452 PolarHBondContact O-NE 3.33Å; A426-R452 PolarHBondContact O-NH2 3.09Å |
| 427 | P | 76.3 | Confident | 81.3 | Confident | 105 Ų | 105 | 66.6 Ų | 66.6 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 144 | 174 | 24.5 | -31.5 | 0 | 0 | 0 | 110.9 | S429 R452 | P427-S429 PolarHBondContact O-N 3.04Å; P427-R452 VanDerWaalsContact C-NH2 3.35Å; P427-R452 PolarHBondContact O-NH2 3.41Å |
| 428 | P | 73.4 | Confident | 80.5 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 65% | 0.649 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 130.4 | -179 | 21.9 | -30.7 | 0 | 0 | 0 | 111.4 | ||
| 429 | S | 74.6 | Confident | 80.1 | Confident | 71 Ų | 71 | 67.8 Ų | 67.8 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | trans | -114 | 147.9 | 176.8 | 78.9 | 0 | 0 | 0 | 0 | 111 | P427 N431 E432 | P427-S429 PolarHBondContact O-N 3.04Å; S429-N431 PolarHBondContact O-N 2.91Å; S429-E432 PolarHBondContact N-OE2 3.03Å; S429-E432 WeakPolarHBondContact O-CB 3.44Å; S429-E432 PolarHBondContact O-N 3.12Å | ||
| 430 | L | 68.6 | Low | 80 | Confident | 184 Ų | 184 | 66 Ų | 66 | 96% | 0.963 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.1 | -178.5 | -74.7 | 164.4 | 0 | 0 | 0 | 113.8 | ||
| 431 | N | 72.1 | Confident | 79.9 | Confident | 160 Ų | 160 | 69.1 Ų | 69.1 | 86% | 0.856 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 19.3 | -178.1 | -68.4 | -11.7 | 0 | 0 | 0 | 112.5 | S429 S433 | S429-N431 PolarHBondContact O-N 2.91Å; N431-S433 PolarHBondContact O-N 3.47Å |
| 432 | E | 72.3 | Confident | 79.9 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 25% | 0.252 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 119.6 | -175.2 | -160.7 | 172.3 | 148.7 | 0 | 0 | 111.5 | S429 L434 Y448 R452 | S429-E432 PolarHBondContact N-OE2 3.03Å; S429-E432 WeakPolarHBondContact O-CB 3.44Å; S429-E432 PolarHBondContact O-N 3.12Å; E432-L434 PolarHBondContact O-N 2.77Å; E432-Y448 PolarHBondContact OE1-OH 3.37Å; E432-Y448 VanDerWaalsContact OE1-OH 3.13Å; E432-R452 IonicContact OE1-CZ 3.57Å; E432-R452 VanDerWaalsContact OE1-CZ 3.29Å; E432-R452 IonicContact OE1-NH1 3.93Å; E432-R452 PolarHBondContact OE1-NH1 3.21Å; E432-R452 IonicContact OE1-NH2 2.82Å; E432-R452 PolarHBondContact OE1-NH2 2.78Å; E432-R452 IonicContact OE2-CZ 2.81Å; E432-R452 IonicContact OE2-NH1 3.98Å; E432-R452 PolarHBondContact OE2-NH1 3.39Å; E432-R452 IonicContact OE2-NH2 3.33Å; E432-R452 PolarHBondContact OE2-NH2 2.9Å |
| 433 | S | 75.2 | Confident | 79.6 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 127.1 | 170.5 | 36.1 | 0 | 0 | 0 | 0 | 110 | N431 N438 | N431-S433 PolarHBondContact O-N 3.47Å; S433-N438 VanDerWaalsContact O-CB 3.28Å; S433-N438 WeakPolarHBondContact O-CB 3.5Å; S433-N438 PolarHBondContact O-ND2 3.02Å |
| 434 | L | 76.5 | Confident | 79.5 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 160.8 | 172.9 | -72.8 | 166.6 | 0 | 0 | 0 | 110 | E432 E437 Y448 Q449 | E432-L434 PolarHBondContact O-N 2.77Å; L434-E437 PolarHBondContact O-N 3.19Å; L434-Y448 HydrophobicContact CD2-CD1 4.43Å; L434-Q449 VanDerWaalsContact CD2-NE2 3.35Å |
| 435 | P | 78.3 | Confident | 79.3 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 9% | 0.091 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 142.6 | 171.5 | -18.4 | 29.2 | 0 | 0 | 0 | 111.5 | N438 I442 Y448 | P435-N438 WeakPolarHBondContact CA-OD1 3.48Å; P435-N438 WeakPolarHBondContact CD-ND2 3.4Å; P435-I442 WeakPolarHBondContact CB-O 3.06Å; P435-Y448 HydrophobicContact CG-CD1 4.05Å; P435-Y448 HydrophobicContact CG-CD2 3.65Å; P435-Y448 HydrophobicContact CG-CE2 4.29Å; P435-Y448 HydrophobicContact CG-CG 3.51Å |
| 436 | P | 67.8 | Low | 79.3 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.8 | -2.8 | 5.8 | 35.4 | -35.3 | 0 | 0 | 0 | 114.6 | N438 G439 | P436-N438 PolarHBondContact O-N 3.05Å; P436-N438 VanDerWaalsContact O-N 3.17Å; P436-G439 PolarHBondContact O-N 2.97Å; P436-G439 VanDerWaalsContact O-N 3.08Å |
| 437 | E | 73.7 | Confident | 79.6 | Confident | 166 Ų | 166 | 76.9 Ų | 76.9 | 78% | 0.776 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.4 | -171.3 | -61.9 | -176.7 | 170.9 | 0 | 0 | 113.3 | L434 G439 | L434-E437 PolarHBondContact O-N 3.19Å; E437-G439 VanDerWaalsContact C-N 3.31Å; E437-G439 PolarHBondContact O-N 3.16Å |
| 438 | N | 76.6 | Confident | 80.3 | Confident | 26 Ų | 26 | 72 Ų | 72 | 14% | 0.139 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 4.4 | 176.7 | 66.3 | 6.2 | 0 | 0 | 0 | 115.1 | R423 S433 P435 P436 S440 Y448 | R423-N438 PolarHBondContact NH2-O 2.97Å; S433-N438 VanDerWaalsContact O-CB 3.28Å; S433-N438 WeakPolarHBondContact O-CB 3.5Å; S433-N438 PolarHBondContact O-ND2 3.02Å; P435-N438 WeakPolarHBondContact CA-OD1 3.48Å; P435-N438 WeakPolarHBondContact CD-ND2 3.4Å; P436-N438 PolarHBondContact O-N 3.05Å; P436-N438 VanDerWaalsContact O-N 3.17Å; N438-S440 VanDerWaalsContact C-N 3.3Å; N438-S440 PolarHBondContact O-N 2.75Å; N438-S440 WeakPolarHBondContact OD1-CB 3.11Å; N438-S440 PolarHBondContact OD1-N 2.93Å; N438-Y448 WeakPolarHBondContact ND2-CE2 3.32Å; N438-Y448 VanDerWaalsContact ND2-CZ 3.33Å; N438-Y448 PolarHBondContact ND2-OH 3.46Å |
| 439 | G | 81.8 | Confident | 81.1 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | trans | 70.2 | 22.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | R423 P436 E437 | R423-G439 PolarHBondContact NH2-O 3.45Å; P436-G439 PolarHBondContact O-N 2.97Å; P436-G439 VanDerWaalsContact O-N 3.08Å; E437-G439 VanDerWaalsContact C-N 3.31Å; E437-G439 PolarHBondContact O-N 3.16Å | ||
| 440 | S | 88.5 | Confident | 82 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | trans | -79.5 | 141.4 | 167.7 | -174.8 | 0 | 0 | 0 | 0 | 111 | E397 R423 Y424 N438 I442 | E397-S440 VanDerWaalsContact CD-OG 3.24Å; E397-S440 WeakPolarHBondContact OE1-CB 3.11Å; E397-S440 PolarHBondContact OE1-OG 3.44Å; E397-S440 WeakPolarHBondContact OE2-CA 3.14Å; E397-S440 PolarHBondContact OE2-OG 2.94Å; R423-S440 VanDerWaalsContact NH1-CA 3.27Å; Y424-S440 PolarHBondContact OH-OG 2.95Å; N438-S440 VanDerWaalsContact C-N 3.3Å; N438-S440 PolarHBondContact O-N 2.75Å; N438-S440 WeakPolarHBondContact OD1-CB 3.11Å; N438-S440 PolarHBondContact OD1-N 2.93Å; S440-I442 VanDerWaalsContact C-N 3.28Å; S440-I442 PolarHBondContact OG-N 2.74Å; S440-I442 VanDerWaalsContact OG-N 3.11Å | ||
| 441 | Y | 89.7 | Confident | 83.2 | Confident | 65 Ų | 65 | 60 Ų | 60 | 26% | 0.255 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -73.6 | -21.2 | 168.7 | -59.6 | -38.8 | 0 | 0 | 0 | 112.2 | R375 E379 L393 S394 E397 Y416 Q443 | R375-Y441 HydrophobicContact CG-CE2 4.49Å; E379-Y441 VanDerWaalsContact CD-OH 3.29Å; E379-Y441 PolarHBondContact OE1-OH 2.87Å; L393-Y441 HydrophobicContact CD1-CD2 3.9Å; L393-Y441 HydrophobicContact CD1-CE2 3.91Å; L393-Y441 HydrophobicContact CD1-CG 4.37Å; L393-Y441 HydrophobicContact CD2-CD1 3.68Å; L393-Y441 HydrophobicContact CD2-CD2 4.17Å; L393-Y441 HydrophobicContact CD2-CE1 3.97Å; L393-Y441 HydrophobicContact CD2-CE2 4.39Å; L393-Y441 HydrophobicContact CD2-CG 3.81Å; L393-Y441 HydrophobicContact CG-CD1 4.08Å; L393-Y441 HydrophobicContact CG-CD2 3.68Å; L393-Y441 HydrophobicContact CG-CE2 4.12Å; L393-Y441 HydrophobicContact CG-CG 3.66Å; S394-Y441 PolarHBondContact OG-O 3.34Å; E397-Y441 HydrophobicContact CB-CD2 4.32Å; E397-Y441 WeakPolarHBondContact OE2-CB 3.47Å; E397-Y441 PolarHBondContact OE2-N 2.82Å; Y416-Y441 HydrophobicContact CE2-CD2 4.24Å; Y416-Y441 AromaticContact CE2-CE2 3.52Å; Y416-Y441 HydrophobicContact CE2-CE2 3.52Å; Y416-Y441 AromaticContact CZ-CE2 3.76Å; Y416-Y441 WeakPolarHBondContact OH-CD2 3.2Å; Y416-Y441 WeakPolarHBondContact OH-CE2 3.46Å; Y441-Q443 PolarHBondContact O-N 2.77Å |
| 442 | I | 89.1 | Confident | 84.1 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | trans | -72.2 | 115.2 | 176.7 | -55.7 | -178.9 | 0 | 0 | 0 | 109.3 | I398 Y424 P435 S440 T447 L451 | I398-I442 HydrophobicContact CD1-CD1 4.36Å; I398-I442 HydrophobicContact CG1-CD1 3.71Å; I398-I442 HydrophobicContact CG1-CG1 4.37Å; Y424-I442 WeakPolarHBondContact OH-CD1 3.25Å; P435-I442 WeakPolarHBondContact CB-O 3.06Å; S440-I442 VanDerWaalsContact C-N 3.28Å; S440-I442 PolarHBondContact OG-N 2.74Å; S440-I442 VanDerWaalsContact OG-N 3.11Å; I442-T447 HydrophobicContact CG2-CG2 4.12Å; I442-L451 HydrophobicContact CD1-CD2 3.62Å | ||
| 443 | Q | 82.7 | Confident | 85.1 | Confident | 130 Ų | 130 | 53 Ų | 53 | 61% | 0.607 | 30% | 0.299 | S | S | * | . | trans | -80.7 | -29.2 | -177.3 | -60.8 | -169.6 | -25 | 0 | 0 | 113.8 | Y441 A445 | Y441-Q443 PolarHBondContact O-N 2.77Å; Q443-A445 PolarHBondContact O-N 3.44Å | ||
| 444 | S | 87.9 | Confident | 86 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 33% | 0.329 | 28% | 0.281 | S | S | . | . | trans | -82.1 | 117.4 | -178.7 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | E446 T447 Y448 | S444-E446 PolarHBondContact O-N 2.91Å; S444-E446 PolarHBondContact OG-N 3.13Å; S444-T447 VanDerWaalsContact CB-OG1 3.26Å; S444-T447 WeakPolarHBondContact CB-OG1 3.34Å; S444-T447 PolarHBondContact O-N 3.36Å; S444-T447 PolarHBondContact OG-N 3.09Å; S444-T447 PolarHBondContact OG-OG1 2.91Å; S444-Y448 WeakPolarHBondContact O-CB 3.18Å; S444-Y448 PolarHBondContact O-N 3.37Å | ||
| 445 | A | 86.7 | Confident | 86.8 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -34.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q443 Q449 | Q443-A445 PolarHBondContact O-N 3.44Å; A445-Q449 VanDerWaalsContact O-CG 3.29Å; A445-Q449 WeakPolarHBondContact O-CG 3.19Å; A445-Q449 PolarHBondContact O-N 3.46Å |
| 446 | E | 89.9 | Confident | 87.5 | Confident | 138 Ų | 138 | 48.5 Ų | 48.5 | 65% | 0.645 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.9 | -51.8 | 176.1 | -177.1 | 177.3 | -166.2 | 0 | 0 | 111.1 | S444 Y448 Q449 L450 | S444-E446 PolarHBondContact O-N 2.91Å; S444-E446 PolarHBondContact OG-N 3.13Å; E446-Y448 VanDerWaalsContact C-N 3.27Å; E446-Y448 PolarHBondContact O-N 3.11Å; E446-Q449 PolarHBondContact O-N 2.82Å; E446-L450 HydrophobicContact CG-CD1 4.03Å; E446-L450 WeakPolarHBondContact O-CB 3.33Å; E446-L450 WeakPolarHBondContact O-CG 3.41Å; E446-L450 PolarHBondContact O-N 2.81Å |
| 447 | T | 90.4 | Very high | 88.7 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61 | -38.6 | 178.4 | -48.8 | 0 | 0 | 0 | 0 | 111.4 | I442 S444 L450 L451 M473 S476 | I442-T447 HydrophobicContact CG2-CG2 4.12Å; S444-T447 VanDerWaalsContact CB-OG1 3.26Å; S444-T447 WeakPolarHBondContact CB-OG1 3.34Å; S444-T447 PolarHBondContact O-N 3.36Å; S444-T447 PolarHBondContact OG-N 3.09Å; S444-T447 PolarHBondContact OG-OG1 2.91Å; T447-L450 PolarHBondContact O-N 3.33Å; T447-L451 WeakPolarHBondContact O-CB 3.47Å; T447-L451 PolarHBondContact O-N 3.31Å; T447-M473 HydrophobicContact CG2-CG 4.4Å; T447-S476 WeakPolarHBondContact OG1-CB 3.07Å; T447-S476 PolarHBondContact OG1-OG 3.1Å |
| 448 | Y | 91.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | 175.2 | 174.1 | -96 | 0 | 0 | 0 | 112.4 | R423 Y424 E432 L434 P435 N438 S444 E446 L451 R452 | R423-Y448 HydrophobicContact CG-CE2 3.98Å; R423-Y448 WeakPolarHBondContact CG-OH 3.41Å; Y424-Y448 HydrophobicContact CD1-CE2 4.35Å; Y424-Y448 AromaticContact CE1-CD2 3.6Å; Y424-Y448 HydrophobicContact CE1-CD2 3.6Å; Y424-Y448 AromaticContact CE1-CE2 3.43Å; Y424-Y448 HydrophobicContact CE1-CE2 3.43Å; Y424-Y448 VanDerWaalsContact CE1-CE2 3.43Å; Y424-Y448 AromaticContact CZ-CD2 3.91Å; Y424-Y448 AromaticContact CZ-CE2 3.76Å; Y424-Y448 WeakPolarHBondContact OH-CD2 3.35Å; E432-Y448 PolarHBondContact OE1-OH 3.37Å; E432-Y448 VanDerWaalsContact OE1-OH 3.13Å; L434-Y448 HydrophobicContact CD2-CD1 4.43Å; P435-Y448 HydrophobicContact CG-CD1 4.05Å; P435-Y448 HydrophobicContact CG-CD2 3.65Å; P435-Y448 HydrophobicContact CG-CE2 4.29Å; P435-Y448 HydrophobicContact CG-CG 3.51Å; N438-Y448 WeakPolarHBondContact ND2-CE2 3.32Å; N438-Y448 VanDerWaalsContact ND2-CZ 3.33Å; N438-Y448 PolarHBondContact ND2-OH 3.46Å; S444-Y448 WeakPolarHBondContact O-CB 3.18Å; S444-Y448 PolarHBondContact O-N 3.37Å; E446-Y448 VanDerWaalsContact C-N 3.27Å; E446-Y448 PolarHBondContact O-N 3.11Å; Y448-L451 PolarHBondContact O-N 3.37Å; Y448-R452 PolarHBondContact O-N 3.06Å |
| 449 | Q | 90 | Very high | 90.1 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.1 | -37.5 | 179.4 | -69.7 | -64 | -13.7 | 0 | 0 | 112.3 | L434 A445 E446 R452 S453 | L434-Q449 VanDerWaalsContact CD2-NE2 3.35Å; A445-Q449 VanDerWaalsContact O-CG 3.29Å; A445-Q449 WeakPolarHBondContact O-CG 3.19Å; A445-Q449 PolarHBondContact O-N 3.46Å; E446-Q449 PolarHBondContact O-N 2.82Å; Q449-R452 PolarHBondContact O-N 2.89Å; Q449-S453 WeakPolarHBondContact O-CB 3.4Å; Q449-S453 PolarHBondContact O-N 2.95Å; Q449-S453 PolarHBondContact O-OG 2.83Å |
| 450 | L | 92.7 | Very high | 90.4 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.7 | -72.1 | 172.5 | 0 | 0 | 0 | 111.5 | E446 T447 R452 S453 F454 C472 M473 | E446-L450 HydrophobicContact CG-CD1 4.03Å; E446-L450 WeakPolarHBondContact O-CB 3.33Å; E446-L450 WeakPolarHBondContact O-CG 3.41Å; E446-L450 PolarHBondContact O-N 2.81Å; T447-L450 PolarHBondContact O-N 3.33Å; L450-R452 VanDerWaalsContact C-N 3.34Å; L450-R452 PolarHBondContact O-N 3.29Å; L450-S453 PolarHBondContact O-N 2.9Å; L450-F454 WeakPolarHBondContact O-CB 3.3Å; L450-F454 PolarHBondContact O-N 3.22Å; L450-C472 HydrophobicContact CD1-CB 4.11Å; L450-C472 HydrophobicContact CD2-CB 3.67Å; L450-M473 HydrophobicContact CB-CB 4.08Å; L450-M473 HydrophobicContact CB-CG 4.21Å; L450-M473 HydrophobicContact CB-SD 4.15Å; L450-M473 HydrophobicContact CD1-CB 4.24Å |
| 451 | L | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 175.5 | 175.5 | 60.6 | 0 | 0 | 0 | 111.1 | I398 A401 F402 Y424 I442 T447 Y448 S453 F454 I455 M473 | I398-L451 HydrophobicContact CB-CD2 4.45Å; I398-L451 HydrophobicContact CG1-CD2 4.08Å; I398-L451 HydrophobicContact CG2-CD1 4.13Å; A401-L451 HydrophobicContact CB-CD2 4.28Å; F402-L451 HydrophobicContact CD1-CD1 4.13Å; F402-L451 HydrophobicContact CE1-CD1 3.43Å; F402-L451 VanDerWaalsContact CE1-CD1 3.43Å; F402-L451 HydrophobicContact CZ-CD1 4.19Å; Y424-L451 HydrophobicContact CD1-CD2 4.04Å; Y424-L451 HydrophobicContact CD1-CG 4Å; Y424-L451 HydrophobicContact CD2-CD2 4.38Å; Y424-L451 HydrophobicContact CE1-CB 4.3Å; Y424-L451 HydrophobicContact CE1-CD2 3.56Å; Y424-L451 HydrophobicContact CE1-CG 3.91Å; Y424-L451 HydrophobicContact CE2-CD2 3.96Å; Y424-L451 HydrophobicContact CG-CD2 4.44Å; I442-L451 HydrophobicContact CD1-CD2 3.62Å; T447-L451 WeakPolarHBondContact O-CB 3.47Å; T447-L451 PolarHBondContact O-N 3.31Å; Y448-L451 PolarHBondContact O-N 3.37Å; L451-S453 PolarHBondContact O-N 2.99Å; L451-F454 WeakPolarHBondContact O-CB 3.33Å; L451-F454 PolarHBondContact O-N 3.02Å; L451-I455 HydrophobicContact CD1-CG1 4.08Å; L451-I455 HydrophobicContact CG-CG1 4.46Å; L451-I455 WeakPolarHBondContact O-CG1 3.35Å; L451-I455 PolarHBondContact O-N 3.39Å; L451-M473 VanDerWaalsContact CA-SD 3.59Å; L451-M473 HydrophobicContact CB-SD 3.81Å; L451-M473 HydrophobicContact CD1-CE 4.33Å; L451-M473 HydrophobicContact CD1-SD 4.4Å; L451-M473 PolarHBondContact N-SD 3.32Å |
| 452 | R | 91.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 177.5 | -169.9 | -179.1 | -174.9 | -179.9 | 15.7 | 112.1 | Y424 A426 P427 E432 Y448 Q449 L450 F454 I455 L456 | Y424-R452 HydrophobicContact CD1-CB 3.99Å; Y424-R452 HydrophobicContact CD1-CG 4.45Å; A426-R452 PolarHBondContact O-NE 3.33Å; A426-R452 PolarHBondContact O-NH2 3.09Å; P427-R452 VanDerWaalsContact C-NH2 3.35Å; P427-R452 PolarHBondContact O-NH2 3.41Å; E432-R452 IonicContact OE1-CZ 3.57Å; E432-R452 VanDerWaalsContact OE1-CZ 3.29Å; E432-R452 IonicContact OE1-NH1 3.93Å; E432-R452 PolarHBondContact OE1-NH1 3.21Å; E432-R452 IonicContact OE1-NH2 2.82Å; E432-R452 PolarHBondContact OE1-NH2 2.78Å; E432-R452 IonicContact OE2-CZ 2.81Å; E432-R452 IonicContact OE2-NH1 3.98Å; E432-R452 PolarHBondContact OE2-NH1 3.39Å; E432-R452 IonicContact OE2-NH2 3.33Å; E432-R452 PolarHBondContact OE2-NH2 2.9Å; Y448-R452 PolarHBondContact O-N 3.06Å; Q449-R452 PolarHBondContact O-N 2.89Å; L450-R452 VanDerWaalsContact C-N 3.34Å; L450-R452 PolarHBondContact O-N 3.29Å; R452-F454 VanDerWaalsContact C-N 3.28Å; R452-F454 PolarHBondContact O-N 3.08Å; R452-I455 PolarHBondContact O-N 3.4Å; R452-L456 HydrophobicContact CG-CD1 4.1Å; R452-L456 HydrophobicContact CG-CG 4.48Å; R452-L456 WeakPolarHBondContact O-CG 3.3Å; R452-L456 PolarHBondContact O-N 2.79Å |
| 453 | S | 92.3 | Very high | 90.7 | Very high | 61 Ų | 61 | 50 Ų | 50 | 43% | 0.427 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | Q449 L450 L451 A457 | Q449-S453 WeakPolarHBondContact O-CB 3.4Å; Q449-S453 PolarHBondContact O-N 2.95Å; Q449-S453 PolarHBondContact O-OG 2.83Å; L450-S453 PolarHBondContact O-N 2.9Å; L451-S453 PolarHBondContact O-N 2.99Å; S453-A457 VanDerWaalsContact O-CB 3.3Å; S453-A457 WeakPolarHBondContact O-CB 3.49Å; S453-A457 PolarHBondContact O-N 3.44Å |
| 454 | F | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -50.9 | 174.3 | 174.6 | -95.1 | 0 | 0 | 0 | 112 | F402 L450 L451 R452 L456 A457 V458 A466 A469 L470 M473 A485 L488 I489 | F402-F454 HydrophobicContact CD1-CD1 4.31Å; F402-F454 AromaticContact CD1-CE1 3.92Å; F402-F454 HydrophobicContact CD1-CE1 3.92Å; F402-F454 AromaticContact CE1-CD1 3.58Å; F402-F454 HydrophobicContact CE1-CD1 3.58Å; F402-F454 AromaticContact CE1-CE1 3.42Å; F402-F454 HydrophobicContact CE1-CE1 3.42Å; F402-F454 VanDerWaalsContact CE1-CE1 3.42Å; F402-F454 HydrophobicContact CE1-CZ 4.43Å; F402-F454 HydrophobicContact CZ-CD1 4.3Å; F402-F454 HydrophobicContact CZ-CE1 4.01Å; L450-F454 WeakPolarHBondContact O-CB 3.3Å; L450-F454 PolarHBondContact O-N 3.22Å; L451-F454 WeakPolarHBondContact O-CB 3.33Å; L451-F454 PolarHBondContact O-N 3.02Å; R452-F454 VanDerWaalsContact C-N 3.28Å; R452-F454 PolarHBondContact O-N 3.08Å; F454-L456 PolarHBondContact O-N 3.26Å; F454-A457 PolarHBondContact O-N 3.04Å; F454-V458 HydrophobicContact CD1-CG2 4.35Å; F454-V458 HydrophobicContact CD2-CG2 4.48Å; F454-V458 HydrophobicContact CE1-CG2 3.93Å; F454-V458 HydrophobicContact CE2-CG2 4.07Å; F454-V458 HydrophobicContact CZ-CG2 3.77Å; F454-V458 WeakPolarHBondContact O-CG2 3.3Å; F454-V458 PolarHBondContact O-N 3.49Å; F454-A466 HydrophobicContact CD2-CB 4.25Å; F454-A466 VanDerWaalsContact CD2-O 3.3Å; F454-A466 WeakPolarHBondContact CD2-O 3.39Å; F454-A466 HydrophobicContact CE2-CB 4.25Å; F454-A469 HydrophobicContact CB-CB 3.91Å; F454-L470 HydrophobicContact CD2-CB 3.94Å; F454-L470 HydrophobicContact CE2-CB 3.96Å; F454-L470 HydrophobicContact CE2-CD1 4.47Å; F454-L470 HydrophobicContact CE2-CD2 4.3Å; F454-L470 HydrophobicContact CE2-CG 4.48Å; F454-M473 HydrophobicContact CB-CE 4.06Å; F454-M473 HydrophobicContact CG-CE 4.2Å; F454-A485 HydrophobicContact CE2-CB 4.48Å; F454-A485 HydrophobicContact CZ-CB 3.94Å; F454-L488 HydrophobicContact CE1-CD1 4.23Å; F454-L488 HydrophobicContact CZ-CB 4.33Å; F454-I489 HydrophobicContact CE2-CD1 4.01Å; F454-I489 HydrophobicContact CE2-CG1 3.78Å; F454-I489 HydrophobicContact CZ-CG1 4.2Å |
| 455 | I | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | -178.4 | -67.2 | -62.9 | 0 | 0 | 0 | 111.6 | A401 F402 T405 T425 L451 R452 V458 H459 | A401-I455 HydrophobicContact CB-CD1 4.45Å; F402-I455 HydrophobicContact CD1-CD1 3.89Å; F402-I455 HydrophobicContact CE1-CD1 4.31Å; T405-I455 HydrophobicContact CG2-CD1 4.33Å; T405-I455 VanDerWaalsContact OG1-CD1 3.25Å; T405-I455 WeakPolarHBondContact OG1-CD1 3.49Å; T425-I455 HydrophobicContact CG2-CG2 3.95Å; L451-I455 HydrophobicContact CD1-CG1 4.08Å; L451-I455 HydrophobicContact CG-CG1 4.46Å; L451-I455 WeakPolarHBondContact O-CG1 3.35Å; L451-I455 PolarHBondContact O-N 3.39Å; R452-I455 PolarHBondContact O-N 3.4Å; I455-V458 PolarHBondContact O-N 2.96Å; I455-H459 PolarHBondContact O-N 3.08Å |
| 456 | L | 92.1 | Very high | 91.6 | Very high | 57 Ų | 57 | 44.4 Ų | 44.4 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.5 | -71.2 | 173.1 | 0 | 0 | 0 | 111.9 | T425 R452 F454 H459 S460 | T425-L456 WeakPolarHBondContact O-CD2 3.26Å; R452-L456 HydrophobicContact CG-CD1 4.1Å; R452-L456 HydrophobicContact CG-CG 4.48Å; R452-L456 WeakPolarHBondContact O-CG 3.3Å; R452-L456 PolarHBondContact O-N 2.79Å; F454-L456 PolarHBondContact O-N 3.26Å; L456-H459 PolarHBondContact O-N 2.98Å; L456-S460 PolarHBondContact O-N 3.39Å; L456-S460 PolarHBondContact O-OG 3.37Å |
| 457 | A | 92.5 | Very high | 91.8 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S453 F454 H459 S460 G461 D462 A466 | S453-A457 VanDerWaalsContact O-CB 3.3Å; S453-A457 WeakPolarHBondContact O-CB 3.49Å; S453-A457 PolarHBondContact O-N 3.44Å; F454-A457 PolarHBondContact O-N 3.04Å; A457-H459 VanDerWaalsContact C-N 3.32Å; A457-H459 PolarHBondContact O-N 2.95Å; A457-S460 WeakPolarHBondContact CA-OG 3.37Å; A457-S460 PolarHBondContact O-N 3.41Å; A457-S460 PolarHBondContact O-OG 3.36Å; A457-S460 VanDerWaalsContact O-OG 3.05Å; A457-G461 PolarHBondContact O-N 2.87Å; A457-G461 VanDerWaalsContact O-N 3.16Å; A457-D462 HydrophobicContact CB-CB 4.42Å; A457-D462 PolarHBondContact O-N 3.39Å; A457-A466 HydrophobicContact CB-CB 3.87Å |
| 458 | V | 91.7 | Very high | 91.9 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 172.6 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | T405 F454 I455 S460 G461 A466 L488 | T405-V458 HydrophobicContact CG2-CB 4.44Å; T405-V458 HydrophobicContact CG2-CG1 3.78Å; F454-V458 HydrophobicContact CD1-CG2 4.35Å; F454-V458 HydrophobicContact CD2-CG2 4.48Å; F454-V458 HydrophobicContact CE1-CG2 3.93Å; F454-V458 HydrophobicContact CE2-CG2 4.07Å; F454-V458 HydrophobicContact CZ-CG2 3.77Å; F454-V458 WeakPolarHBondContact O-CG2 3.3Å; F454-V458 PolarHBondContact O-N 3.49Å; I455-V458 PolarHBondContact O-N 2.96Å; V458-S460 PolarHBondContact O-N 2.72Å; V458-G461 PolarHBondContact O-N 3.35Å; V458-A466 HydrophobicContact CG2-CB 3.87Å; V458-L488 HydrophobicContact CG1-CB 4.44Å |
| 459 | H | 88.5 | Confident | 92 | Very high | 128 Ų | 128 | 45.8 Ų | 45.8 | 59% | 0.593 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.5 | -33.8 | 179.9 | -153 | 72.3 | 0 | 0 | 0 | 113.1 | I455 L456 A457 G461 | I455-H459 PolarHBondContact O-N 3.08Å; L456-H459 PolarHBondContact O-N 2.98Å; A457-H459 VanDerWaalsContact C-N 3.32Å; A457-H459 PolarHBondContact O-N 2.95Å; H459-G461 VanDerWaalsContact C-N 3.25Å; H459-G461 PolarHBondContact O-N 3.28Å |
| 460 | S | 88.4 | Confident | 92.1 | Very high | 88 Ų | 88 | 42.5 Ų | 42.5 | 62% | 0.615 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -2.8 | 175.2 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | L456 A457 V458 D462 | L456-S460 PolarHBondContact O-N 3.39Å; L456-S460 PolarHBondContact O-OG 3.37Å; A457-S460 WeakPolarHBondContact CA-OG 3.37Å; A457-S460 PolarHBondContact O-N 3.41Å; A457-S460 PolarHBondContact O-OG 3.36Å; A457-S460 VanDerWaalsContact O-OG 3.05Å; V458-S460 PolarHBondContact O-N 2.72Å; S460-D462 PolarHBondContact O-N 2.85Å |
| 461 | G | 88.2 | Confident | 92.1 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 37% | 0.371 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 16.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A457 V458 H459 Q463 | A457-G461 PolarHBondContact O-N 2.87Å; A457-G461 VanDerWaalsContact O-N 3.16Å; V458-G461 PolarHBondContact O-N 3.35Å; H459-G461 VanDerWaalsContact C-N 3.25Å; H459-G461 PolarHBondContact O-N 3.28Å; G461-Q463 PolarHBondContact O-N 2.93Å; G461-Q463 VanDerWaalsContact O-N 3.15Å |
| 462 | D | 92 | Very high | 92 | Very high | 76 Ų | 76 | 46.5 Ų | 46.5 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | trans | -82.8 | 89.5 | 176.9 | -179.5 | 9.4 | 0 | 0 | 0 | 110.2 | A457 S460 A464 G465 A466 | A457-D462 HydrophobicContact CB-CB 4.42Å; A457-D462 PolarHBondContact O-N 3.39Å; S460-D462 PolarHBondContact O-N 2.85Å; D462-A464 VanDerWaalsContact C-N 3.28Å; D462-A464 PolarHBondContact O-N 3.36Å; D462-A464 PolarHBondContact OD1-N 3.12Å; D462-A464 VanDerWaalsContact OD1-N 3.17Å; D462-G465 VanDerWaalsContact CG-N 3.33Å; D462-G465 PolarHBondContact OD1-N 2.99Å; D462-G465 WeakPolarHBondContact OD2-CA 3.5Å; D462-G465 PolarHBondContact OD2-N 3.4Å; D462-A466 VanDerWaalsContact O-CB 3.31Å; D462-A466 WeakPolarHBondContact O-CB 3.39Å; D462-A466 PolarHBondContact O-N 3.27Å | ||
| 463 | Q | 92.4 | Very high | 92 | Very high | 105 Ų | 105 | 46.2 Ų | 46.2 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -32.6 | -180 | -64.6 | -174.5 | -17.1 | 0 | 0 | 112.9 | G461 G467 I489 | G461-Q463 PolarHBondContact O-N 2.93Å; G461-Q463 VanDerWaalsContact O-N 3.15Å; Q463-G467 PolarHBondContact O-N 3.42Å; Q463-I489 HydrophobicContact CB-CG2 4.02Å; Q463-I489 HydrophobicContact CG-CG2 4.2Å; Q463-I489 PolarHBondContact NE2-O 3.03Å |
| 464 | A | 92.2 | Very high | 91.7 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -72.9 | -47.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D462 A466 G467 E468 | D462-A464 VanDerWaalsContact C-N 3.28Å; D462-A464 PolarHBondContact O-N 3.36Å; D462-A464 PolarHBondContact OD1-N 3.12Å; D462-A464 VanDerWaalsContact OD1-N 3.17Å; A464-A466 VanDerWaalsContact C-N 3.33Å; A464-A466 PolarHBondContact O-N 2.88Å; A464-G467 PolarHBondContact O-N 3.12Å; A464-E468 PolarHBondContact O-N 3.49Å |
| 465 | G | 92 | Very high | 91.1 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 25% | 0.247 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D462 E468 A469 | D462-G465 VanDerWaalsContact CG-N 3.33Å; D462-G465 PolarHBondContact OD1-N 2.99Å; D462-G465 WeakPolarHBondContact OD2-CA 3.5Å; D462-G465 PolarHBondContact OD2-N 3.4Å; G465-E468 PolarHBondContact O-N 3.03Å; G465-A469 WeakPolarHBondContact O-CB 3.48Å; G465-A469 PolarHBondContact O-N 3.44Å |
| 466 | A | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F454 A457 V458 D462 A464 L470 I489 | F454-A466 HydrophobicContact CD2-CB 4.25Å; F454-A466 VanDerWaalsContact CD2-O 3.3Å; F454-A466 WeakPolarHBondContact CD2-O 3.39Å; F454-A466 HydrophobicContact CE2-CB 4.25Å; A457-A466 HydrophobicContact CB-CB 3.87Å; V458-A466 HydrophobicContact CG2-CB 3.87Å; D462-A466 VanDerWaalsContact O-CB 3.31Å; D462-A466 WeakPolarHBondContact O-CB 3.39Å; D462-A466 PolarHBondContact O-N 3.27Å; A464-A466 VanDerWaalsContact C-N 3.33Å; A464-A466 PolarHBondContact O-N 2.88Å; A466-L470 VanDerWaalsContact O-CB 3.3Å; A466-L470 WeakPolarHBondContact O-CB 3.3Å; A466-L470 PolarHBondContact O-N 3.48Å; A466-I489 HydrophobicContact CB-CD1 4.39Å; A466-I489 HydrophobicContact CB-CG1 3.92Å; A466-I489 HydrophobicContact CB-CG2 4.47Å |
| 467 | G | 92.8 | Very high | 90.2 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 32% | 0.32 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q463 A464 L470 G471 | Q463-G467 PolarHBondContact O-N 3.42Å; A464-G467 PolarHBondContact O-N 3.12Å; G467-L470 PolarHBondContact O-N 2.99Å; G467-G471 PolarHBondContact O-N 3.26Å |
| 468 | E | 93.8 | Very high | 89.8 | Confident | 138 Ų | 138 | 53.7 Ų | 53.7 | 65% | 0.645 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.1 | -47.6 | 178.9 | -169.9 | 68.9 | -170.1 | 0 | 0 | 111.4 | A464 G465 L470 G471 C472 | A464-E468 PolarHBondContact O-N 3.49Å; G465-E468 PolarHBondContact O-N 3.03Å; E468-L470 VanDerWaalsContact C-N 3.29Å; E468-L470 PolarHBondContact O-N 3.01Å; E468-G471 PolarHBondContact O-N 2.81Å; E468-G471 VanDerWaalsContact O-N 3.16Å; E468-C472 PolarHBondContact O-N 3.15Å; E468-C472 PolarHBondContact O-SG 3.49Å |
| 469 | A | 93.2 | Very high | 89.4 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F454 G465 M473 | F454-A469 HydrophobicContact CB-CB 3.91Å; G465-A469 WeakPolarHBondContact O-CB 3.48Å; G465-A469 PolarHBondContact O-N 3.44Å; A469-M473 VanDerWaalsContact O-CB 3.22Å; A469-M473 WeakPolarHBondContact O-CB 3.42Å; A469-M473 PolarHBondContact O-N 3.24Å |
| 470 | L | 93.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 175.6 | -175.8 | 59.6 | 0 | 0 | 0 | 112.2 | F454 A466 G467 E468 M473 Q474 L482 A485 L486 I489 | F454-L470 HydrophobicContact CD2-CB 3.94Å; F454-L470 HydrophobicContact CE2-CB 3.96Å; F454-L470 HydrophobicContact CE2-CD1 4.47Å; F454-L470 HydrophobicContact CE2-CD2 4.3Å; F454-L470 HydrophobicContact CE2-CG 4.48Å; A466-L470 VanDerWaalsContact O-CB 3.3Å; A466-L470 WeakPolarHBondContact O-CB 3.3Å; A466-L470 PolarHBondContact O-N 3.48Å; G467-L470 PolarHBondContact O-N 2.99Å; E468-L470 VanDerWaalsContact C-N 3.29Å; E468-L470 PolarHBondContact O-N 3.01Å; L470-M473 HydrophobicContact CD1-CE 4.26Å; L470-M473 CarbonylContact O-C 3.56Å; L470-M473 PolarHBondContact O-N 3.37Å; L470-Q474 PolarHBondContact O-N 3.49Å; L470-L482 HydrophobicContact CD1-CD1 4.05Å; L470-L482 HydrophobicContact CD2-CD1 4.1Å; L470-L482 HydrophobicContact CG-CD1 4.09Å; L470-A485 HydrophobicContact CD1-CB 3.63Å; L470-A485 HydrophobicContact CD2-CB 3.74Å; L470-A485 HydrophobicContact CG-CB 4.35Å; L470-L486 HydrophobicContact CD2-CD2 3.84Å; L470-L486 HydrophobicContact CD2-CG 4.14Å; L470-I489 HydrophobicContact CB-CD1 4.46Å; L470-I489 HydrophobicContact CD2-CD1 3.77Å |
| 471 | G | 92.3 | Very high | 88.9 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G467 E468 M473 Q474 | G467-G471 PolarHBondContact O-N 3.26Å; E468-G471 PolarHBondContact O-N 2.81Å; E468-G471 VanDerWaalsContact O-N 3.16Å; G471-M473 VanDerWaalsContact C-N 3.29Å; G471-M473 PolarHBondContact O-N 2.94Å; G471-Q474 WeakPolarHBondContact O-CB 3.4Å; G471-Q474 PolarHBondContact O-N 3.36Å |
| 472 | C | 92 | Very high | 89 | Confident | 71 Ų | 71 | 50.7 Ų | 50.7 | 48% | 0.48 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -33.4 | 174.9 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | L450 E468 | L450-C472 HydrophobicContact CD1-CB 4.11Å; L450-C472 HydrophobicContact CD2-CB 3.67Å; E468-C472 PolarHBondContact O-N 3.15Å; E468-C472 PolarHBondContact O-SG 3.49Å |
| 473 | M | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -82.7 | -12.3 | -179.1 | -165.5 | 168.4 | 43.1 | 0 | 0 | 113.6 | F402 T447 L450 L451 F454 A469 L470 G471 A475 S476 I477 | F402-M473 HydrophobicContact CZ-CE 4.44Å; T447-M473 HydrophobicContact CG2-CG 4.4Å; L450-M473 HydrophobicContact CB-CB 4.08Å; L450-M473 HydrophobicContact CB-CG 4.21Å; L450-M473 HydrophobicContact CB-SD 4.15Å; L450-M473 HydrophobicContact CD1-CB 4.24Å; L451-M473 VanDerWaalsContact CA-SD 3.59Å; L451-M473 HydrophobicContact CB-SD 3.81Å; L451-M473 HydrophobicContact CD1-CE 4.33Å; L451-M473 HydrophobicContact CD1-SD 4.4Å; L451-M473 PolarHBondContact N-SD 3.32Å; F454-M473 HydrophobicContact CB-CE 4.06Å; F454-M473 HydrophobicContact CG-CE 4.2Å; A469-M473 VanDerWaalsContact O-CB 3.22Å; A469-M473 WeakPolarHBondContact O-CB 3.42Å; A469-M473 PolarHBondContact O-N 3.24Å; L470-M473 HydrophobicContact CD1-CE 4.26Å; L470-M473 CarbonylContact O-C 3.56Å; L470-M473 PolarHBondContact O-N 3.37Å; G471-M473 VanDerWaalsContact C-N 3.29Å; G471-M473 PolarHBondContact O-N 2.94Å; M473-A475 VanDerWaalsContact C-N 3.26Å; M473-A475 PolarHBondContact O-N 3.27Å; M473-A475 VanDerWaalsContact O-N 3.16Å; M473-S476 WeakPolarHBondContact O-CA 2.78Å; M473-S476 PolarHBondContact O-N 3.44Å; M473-I477 HydrophobicContact CB-CD1 4.37Å; M473-I477 HydrophobicContact CE-CD1 3.33Å; M473-I477 HydrophobicContact CG-CD1 3.48Å; M473-I477 VanDerWaalsContact CG-CD1 3.48Å; M473-I477 HydrophobicContact CG-CG1 3.77Å; M473-I477 PolarHBondContact O-N 3.39Å; M473-I477 VanDerWaalsContact O-N 3.12Å; M473-I477 HydrophobicContact SD-CD1 3.41Å; M473-I477 WeakPolarHBondContact SD-CD1 3.36Å; M473-I477 HydrophobicContact SD-CG1 4.14Å |
| 474 | Q | 86.8 | Confident | 88.7 | Confident | 103 Ų | 103 | 44.7 Ų | 44.7 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -34.9 | -171.8 | -170.7 | 176.9 | -1.2 | 0 | 0 | 113.3 | L470 G471 S476 I477 L482 | L470-Q474 PolarHBondContact O-N 3.49Å; G471-Q474 WeakPolarHBondContact O-CB 3.4Å; G471-Q474 PolarHBondContact O-N 3.36Å; Q474-S476 PolarHBondContact O-N 3.07Å; Q474-I477 VanDerWaalsContact O-O 3.09Å; Q474-L482 HydrophobicContact CG-CD1 4.43Å |
| 475 | A | 83.1 | Confident | 88.7 | Confident | 105 Ų | 105 | 41 Ų | 41 | 87% | 0.868 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -20.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M473 | M473-A475 VanDerWaalsContact C-N 3.26Å; M473-A475 PolarHBondContact O-N 3.27Å; M473-A475 VanDerWaalsContact O-N 3.16Å |
| 476 | S | 81.5 | Confident | 88.6 | Confident | 47 Ų | 47 | 43.6 Ų | 43.6 | 33% | 0.329 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -11.6 | -178.3 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | T447 M473 Q474 | T447-S476 WeakPolarHBondContact OG1-CB 3.07Å; T447-S476 PolarHBondContact OG1-OG 3.1Å; M473-S476 WeakPolarHBondContact O-CA 2.78Å; M473-S476 PolarHBondContact O-N 3.44Å; Q474-S476 PolarHBondContact O-N 3.07Å |
| 477 | I | 84.7 | Confident | 88.4 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.062 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -107.6 | 135.3 | -179.8 | -79.7 | -179.8 | 0 | 0 | 0 | 109.7 | I398 F402 M473 Q474 L481 | I398-I477 HydrophobicContact CD1-CG1 3.99Å; I398-I477 HydrophobicContact CG2-CD1 3.95Å; I398-I477 HydrophobicContact CG2-CG1 4.38Å; F402-I477 HydrophobicContact CZ-CD1 4.05Å; M473-I477 HydrophobicContact CB-CD1 4.37Å; M473-I477 HydrophobicContact CE-CD1 3.33Å; M473-I477 HydrophobicContact CG-CD1 3.48Å; M473-I477 VanDerWaalsContact CG-CD1 3.48Å; M473-I477 HydrophobicContact CG-CG1 3.77Å; M473-I477 PolarHBondContact O-N 3.39Å; M473-I477 VanDerWaalsContact O-N 3.12Å; M473-I477 HydrophobicContact SD-CD1 3.41Å; M473-I477 WeakPolarHBondContact SD-CD1 3.36Å; M473-I477 HydrophobicContact SD-CG1 4.14Å; Q474-I477 VanDerWaalsContact O-O 3.09Å; I477-L481 HydrophobicContact CG2-CB 3.83Å |
| 478 | S | 84.1 | Confident | 88.3 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | trans | -63.6 | 142.9 | 171.3 | 65 | 0 | 0 | 0 | 0 | 111.7 | E395 F480 L481 | E395-S478 VanDerWaalsContact OE1-CB 3.27Å; E395-S478 WeakPolarHBondContact OE1-CB 3.12Å; S478-F480 PolarHBondContact O-N 3.33Å; S478-F480 WeakPolarHBondContact OG-CB 3.44Å; S478-L481 PolarHBondContact O-N 3.36Å | ||
| 479 | D | 82.9 | Confident | 88.2 | Confident | 131 Ų | 131 | 40.7 Ų | 40.7 | 70% | 0.701 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -48.4 | -29.2 | 171.6 | -65.3 | -33.1 | 0 | 0 | 0 | 113.1 | L481 L482 | D479-L481 VanDerWaalsContact C-N 3.25Å; D479-L481 PolarHBondContact O-N 2.67Å; D479-L482 PolarHBondContact O-N 3.48Å |
| 480 | F | 77.5 | Confident | 87.6 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53 | -34.5 | 173.5 | 161.1 | -113.8 | 0 | 0 | 0 | 114.4 | R352 F355 C356 S478 | R352-F480 HydrophobicContact CB-CE1 4.37Å; R352-F480 HydrophobicContact CB-CE2 4.27Å; R352-F480 HydrophobicContact CB-CZ 4.09Å; R352-F480 HydrophobicContact CG-CE1 4.3Å; R352-F480 HydrophobicContact CG-CZ 4.4Å; R352-F480 WeakPolarHBondContact O-CE2 3.37Å; R352-F480 WeakPolarHBondContact O-CZ 3.5Å; F355-F480 HydrophobicContact CB-CE2 4.18Å; F355-F480 HydrophobicContact CB-CZ 3.86Å; F355-F480 HydrophobicContact CD1-CE1 4.09Å; F355-F480 AromaticContact CD1-CE2 3.55Å; F355-F480 HydrophobicContact CD1-CE2 3.55Å; F355-F480 AromaticContact CD1-CZ 3.16Å; F355-F480 HydrophobicContact CD1-CZ 3.16Å; F355-F480 HydrophobicContact CE1-CE1 4.49Å; F355-F480 HydrophobicContact CE1-CE2 4.43Å; F355-F480 AromaticContact CE1-CZ 3.93Å; F355-F480 HydrophobicContact CE1-CZ 3.93Å; F355-F480 HydrophobicContact CG-CE2 4.3Å; F355-F480 AromaticContact CG-CZ 3.79Å; F355-F480 HydrophobicContact CG-CZ 3.79Å; C356-F480 HydrophobicContact CB-CD2 3.76Å; C356-F480 HydrophobicContact CB-CE2 3.63Å; S478-F480 PolarHBondContact O-N 3.33Å; S478-F480 WeakPolarHBondContact OG-CB 3.44Å |
| 481 | L | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -99.4 | -17.1 | 179.3 | -60.5 | 178.2 | 0 | 0 | 0 | 113.3 | F355 E395 I398 A399 F402 I477 S478 D479 G483 F484 A485 | F355-L481 HydrophobicContact CE1-CD2 3.77Å; F355-L481 HydrophobicContact CZ-CD2 4.47Å; E395-L481 HydrophobicContact CB-CD1 4.44Å; I398-L481 HydrophobicContact CB-CD1 3.95Å; I398-L481 HydrophobicContact CG2-CD1 3.78Å; A399-L481 HydrophobicContact CB-CD1 4.37Å; A399-L481 HydrophobicContact CB-CD2 3.78Å; F402-L481 HydrophobicContact CE2-CB 4.14Å; I477-L481 HydrophobicContact CG2-CB 3.83Å; S478-L481 PolarHBondContact O-N 3.36Å; D479-L481 VanDerWaalsContact C-N 3.25Å; D479-L481 PolarHBondContact O-N 2.67Å; L481-G483 VanDerWaalsContact C-N 3.32Å; L481-G483 PolarHBondContact O-N 2.93Å; L481-F484 PolarHBondContact O-N 3.25Å; L481-A485 PolarHBondContact O-N 2.93Å |
| 482 | L | 89.7 | Confident | 84.1 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | -175.9 | -174 | 66 | 0 | 0 | 0 | 111.7 | L470 Q474 D479 F484 A485 L486 | L470-L482 HydrophobicContact CD1-CD1 4.05Å; L470-L482 HydrophobicContact CD2-CD1 4.1Å; L470-L482 HydrophobicContact CG-CD1 4.09Å; Q474-L482 HydrophobicContact CG-CD1 4.43Å; D479-L482 PolarHBondContact O-N 3.48Å; L482-F484 VanDerWaalsContact C-N 3.26Å; L482-F484 PolarHBondContact O-N 2.88Å; L482-A485 PolarHBondContact O-N 3.41Å; L482-L486 HydrophobicContact CG-CD1 4.35Å; L482-L486 WeakPolarHBondContact O-CG 3.27Å; L482-L486 PolarHBondContact O-N 3.06Å |
| 483 | G | 86.8 | Confident | 81.5 | Confident | 43 Ų | 43 | 55.8 Ų | 55.8 | 44% | 0.443 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61 | -33.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L481 K487 | L481-G483 VanDerWaalsContact C-N 3.32Å; L481-G483 PolarHBondContact O-N 2.93Å; G483-K487 WeakPolarHBondContact O-CG 3.48Å; G483-K487 PolarHBondContact O-N 3.08Å |
| 484 | F | 91.2 | Very high | 78.8 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 5% | 0.053 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -76.7 | -41 | 176.8 | -175.7 | -149.4 | 0 | 0 | 0 | 111.7 | F355 T359 L364 F402 L403 A406 L481 L482 L486 K487 L488 | F355-F484 HydrophobicContact CE1-CD1 4.38Å; F355-F484 HydrophobicContact CZ-CD1 4.21Å; F355-F484 HydrophobicContact CZ-CE1 4.34Å; T359-F484 HydrophobicContact CG2-CD1 3.99Å; T359-F484 HydrophobicContact CG2-CD2 4.38Å; T359-F484 HydrophobicContact CG2-CE1 4.11Å; T359-F484 HydrophobicContact CG2-CG 4.14Å; T359-F484 HydrophobicContact CG2-CZ 4.39Å; L364-F484 HydrophobicContact CD2-CE2 4.07Å; L364-F484 HydrophobicContact CD2-CZ 4.08Å; F402-F484 HydrophobicContact CB-CD1 3.75Å; F402-F484 HydrophobicContact CB-CE1 3.44Å; F402-F484 VanDerWaalsContact CB-CE1 3.44Å; F402-F484 HydrophobicContact CB-CZ 4.23Å; F402-F484 HydrophobicContact CD2-CD1 4.08Å; F402-F484 HydrophobicContact CG-CD1 4.42Å; L403-F484 HydrophobicContact CD2-CE1 4.04Å; L403-F484 HydrophobicContact CD2-CZ 3.99Å; L403-F484 HydrophobicContact CG-CE1 4.02Å; L403-F484 HydrophobicContact CG-CZ 4.38Å; A406-F484 HydrophobicContact CB-CE2 4.32Å; A406-F484 HydrophobicContact CB-CZ 3.97Å; L481-F484 PolarHBondContact O-N 3.25Å; L482-F484 VanDerWaalsContact C-N 3.26Å; L482-F484 PolarHBondContact O-N 2.88Å; F484-L486 VanDerWaalsContact C-N 3.34Å; F484-L486 PolarHBondContact O-N 3.36Å; F484-K487 WeakPolarHBondContact O-CB 3.39Å; F484-K487 PolarHBondContact O-N 3.32Å; F484-K487 VanDerWaalsContact O-N 3.13Å; F484-L488 HydrophobicContact CE2-CD2 4.48Å; F484-L488 HydrophobicContact CE2-CG 4.28Å; F484-L488 PolarHBondContact O-N 3.49Å; F484-L488 VanDerWaalsContact O-N 3.08Å |
| 485 | A | 92.2 | Very high | 78.4 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F402 F454 L470 L481 L482 K487 L488 I489 | F402-A485 HydrophobicContact CD2-CB 4.45Å; F402-A485 HydrophobicContact CE2-CB 3.72Å; F402-A485 HydrophobicContact CZ-CB 3.93Å; F454-A485 HydrophobicContact CE2-CB 4.48Å; F454-A485 HydrophobicContact CZ-CB 3.94Å; L470-A485 HydrophobicContact CD1-CB 3.63Å; L470-A485 HydrophobicContact CD2-CB 3.74Å; L470-A485 HydrophobicContact CG-CB 4.35Å; L481-A485 PolarHBondContact O-N 2.93Å; L482-A485 PolarHBondContact O-N 3.41Å; A485-K487 VanDerWaalsContact C-N 3.29Å; A485-K487 PolarHBondContact O-N 2.95Å; A485-L488 WeakPolarHBondContact O-CB 3.4Å; A485-L488 PolarHBondContact O-N 3.32Å; A485-I489 PolarHBondContact O-N 2.99Å |
| 486 | L | 90.8 | Very high | 78.2 | Confident | 78 Ų | 78 | 67.2 Ų | 67.2 | 41% | 0.408 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 175.8 | -70.6 | 170.7 | 0 | 0 | 0 | 112.1 | L470 L482 F484 L488 I489 H490 | L470-L486 HydrophobicContact CD2-CD2 3.84Å; L470-L486 HydrophobicContact CD2-CG 4.14Å; L482-L486 HydrophobicContact CG-CD1 4.35Å; L482-L486 WeakPolarHBondContact O-CG 3.27Å; L482-L486 PolarHBondContact O-N 3.06Å; F484-L486 VanDerWaalsContact C-N 3.34Å; F484-L486 PolarHBondContact O-N 3.36Å; L486-L488 VanDerWaalsContact C-N 3.29Å; L486-L488 PolarHBondContact O-N 2.92Å; L486-I489 HydrophobicContact CD2-CD1 4.43Å; L486-I489 PolarHBondContact O-N 2.97Å; L486-H490 PolarHBondContact O-CD2 2.96Å; L486-H490 PolarHBondContact O-N 3.24Å |
| 487 | K | 89 | Confident | 78 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 39% | 0.391 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 174.8 | -75 | -177.3 | -177.7 | -171.4 | 0 | 112.5 | S360 G483 F484 A485 H490 K491 | S360-K487 VanDerWaalsContact CA-NZ 3.29Å; S360-K487 PolarHBondContact O-NZ 3.42Å; G483-K487 WeakPolarHBondContact O-CG 3.48Å; G483-K487 PolarHBondContact O-N 3.08Å; F484-K487 WeakPolarHBondContact O-CB 3.39Å; F484-K487 PolarHBondContact O-N 3.32Å; F484-K487 VanDerWaalsContact O-N 3.13Å; A485-K487 VanDerWaalsContact C-N 3.29Å; A485-K487 PolarHBondContact O-N 2.95Å; K487-H490 PolarHBondContact O-N 2.96Å; K487-K491 VanDerWaalsContact O-CB 3.24Å; K487-K491 WeakPolarHBondContact O-CB 3.35Å; K487-K491 PolarHBondContact O-N 3.03Å |
| 488 | L | 90.6 | Very high | 77.6 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 176.3 | -77.1 | 174.1 | 0 | 0 | 0 | 112.2 | F402 A406 F454 V458 F484 A485 L486 H490 K491 | F402-L488 HydrophobicContact CB-CD1 3.67Å; F402-L488 HydrophobicContact CD1-CD1 4.05Å; F402-L488 HydrophobicContact CG-CD1 3.86Å; A406-L488 HydrophobicContact CB-CD2 3.7Å; F454-L488 HydrophobicContact CE1-CD1 4.23Å; F454-L488 HydrophobicContact CZ-CB 4.33Å; V458-L488 HydrophobicContact CG1-CB 4.44Å; F484-L488 HydrophobicContact CE2-CD2 4.48Å; F484-L488 HydrophobicContact CE2-CG 4.28Å; F484-L488 PolarHBondContact O-N 3.49Å; F484-L488 VanDerWaalsContact O-N 3.08Å; A485-L488 WeakPolarHBondContact O-CB 3.4Å; A485-L488 PolarHBondContact O-N 3.32Å; L486-L488 VanDerWaalsContact C-N 3.29Å; L486-L488 PolarHBondContact O-N 2.92Å; L488-H490 VanDerWaalsContact C-N 3.27Å; L488-H490 PolarHBondContact O-N 3.3Å; L488-K491 CarbonylContact O-C 3.52Å; L488-K491 PolarHBondContact O-N 2.98Å |
| 489 | I | 90.8 | Very high | 77.2 | Confident | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.062 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 176.8 | -60.2 | 175.2 | 0 | 0 | 0 | 110.6 | F454 Q463 A466 L470 A485 L486 | F454-I489 HydrophobicContact CE2-CD1 4.01Å; F454-I489 HydrophobicContact CE2-CG1 3.78Å; F454-I489 HydrophobicContact CZ-CG1 4.2Å; Q463-I489 HydrophobicContact CB-CG2 4.02Å; Q463-I489 HydrophobicContact CG-CG2 4.2Å; Q463-I489 PolarHBondContact NE2-O 3.03Å; A466-I489 HydrophobicContact CB-CD1 4.39Å; A466-I489 HydrophobicContact CB-CG1 3.92Å; A466-I489 HydrophobicContact CB-CG2 4.47Å; L470-I489 HydrophobicContact CB-CD1 4.46Å; L470-I489 HydrophobicContact CD2-CD1 3.77Å; A485-I489 PolarHBondContact O-N 2.99Å; L486-I489 HydrophobicContact CD2-CD1 4.43Å; L486-I489 PolarHBondContact O-N 2.97Å |
| 490 | H | 81.4 | Confident | 76.8 | Confident | 135 Ų | 135 | 71.1 Ų | 71.1 | 63% | 0.625 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -84.4 | -23.9 | -177.7 | -62.1 | -54.1 | 0 | 0 | 0 | 113.7 | L486 K487 L488 V492 | L486-H490 PolarHBondContact O-CD2 2.96Å; L486-H490 PolarHBondContact O-N 3.24Å; K487-H490 PolarHBondContact O-N 2.96Å; L488-H490 VanDerWaalsContact C-N 3.27Å; L488-H490 PolarHBondContact O-N 3.3Å; H490-V492 VanDerWaalsContact C-N 3.32Å; H490-V492 PolarHBondContact O-N 3.4Å; H490-V492 VanDerWaalsContact O-N 3.17Å |
| 491 | K | 66.9 | Low | 76.8 | Confident | 136 Ų | 136 | 73.8 Ų | 73.8 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | trans | -86.2 | 75.3 | 171.2 | -85.5 | -170.6 | 167.4 | -173.2 | 0 | 110.4 | K487 L488 | K487-K491 VanDerWaalsContact O-CB 3.24Å; K487-K491 WeakPolarHBondContact O-CB 3.35Å; K487-K491 PolarHBondContact O-N 3.03Å; L488-K491 CarbonylContact O-C 3.52Å; L488-K491 PolarHBondContact O-N 2.98Å | ||
| 492 | V | 44.2 | Very low | 75.8 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 38% | 0.376 | 39% | 0.39 | S | S | . | . | trans | -127 | 84.4 | 152.2 | -175 | 0 | 0 | 0 | 0 | 108.2 | H490 | H490-V492 VanDerWaalsContact C-N 3.32Å; H490-V492 PolarHBondContact O-N 3.4Å; H490-V492 VanDerWaalsContact O-N 3.17Å | ||
| 493 | P | 38.2 | Very low | 74.6 | Confident | 113 Ų | 113 | 83.3 Ų | 83.3 | 73% | 0.734 | 41% | 0.408 | S | S | * | . | trans | -97.9 | 95 | 159.6 | 33.2 | -20.8 | 0 | 0 | 0 | 109.2 | ||||
| 494 | R | 33.5 | Very low | 73.5 | Confident | 312 Ų | 312 | 87 Ų | 87 | 100% | 1.177 | 41% | 0.405 | S | S | * | . | trans | 67.5 | 0 | 161.5 | -66.5 | -174.3 | 177.8 | -178.4 | -0.8 | 119.4 |
Retrieved 494 of 494 residues in 245.2 ms
(Link to these results)