| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.2 | Very low | 40.3 | Very low | 234 Ų | 234 | 167.2 Ų | 167.2 | 100% | 1.153 | 85% | 0.851 | S | S | * | * | 0 | 116.7 | 0 | -74.1 | -174 | -151.3 | 0 | 0 | 107 | |||||
| 2 | W | 34.9 | Very low | 40.3 | Very low | 219 Ų | 219 | 163.2 Ų | 163.2 | 83% | 0.83 | 85% | 0.845 | S | S | * | * | cis | -153.1 | 134.8 | 3.5 | -108.9 | 64.6 | 0 | 0 | 0 | 106 | ||||
| 3 | F | 38.7 | Very low | 40.2 | Very low | 163 Ų | 163 | 160.2 Ų | 160.2 | 72% | 0.715 | 85% | 0.845 | S | S | * | * | trans | 25 | 142.7 | 142.6 | -68.8 | -93.9 | 0 | 0 | 0 | 120.5 | ||||
| 4 | H | 41.8 | Very low | 40 | Very low | 172 Ų | 172 | 161.2 Ų | 161.2 | 80% | 0.796 | 85% | 0.849 | S | S | * | * | cis | -169.5 | 145.1 | 47.6 | -125.5 | -61.3 | 0 | 0 | 0 | 111.6 | ||||
| 5 | R | 39.7 | Very low | 40.1 | Very low | 234 Ų | 234 | 159.5 Ų | 159.5 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | trans | -66.8 | 147 | 166.9 | -72.5 | 174 | 173.5 | -172.5 | -3.5 | 112.5 | ||||
| 6 | L | 49.6 | Very low | 40.1 | Very low | 183 Ų | 183 | 156.7 Ų | 156.7 | 96% | 0.958 | 85% | 0.845 | S | S | * | * | trans | -120.9 | 111 | 146.8 | -83.1 | 166.2 | 0 | 0 | 0 | 108.3 | ||||
| 7 | G | 38.2 | Very low | 40.1 | Very low | 79 Ų | 79 | 151.5 Ų | 151.5 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -105.4 | 133.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 8 | G | 44.2 | Very low | 40.1 | Very low | 80 Ų | 80 | 153.8 Ų | 153.8 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -129.6 | 112.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | Q | 41.3 | Very low | 40.1 | Very low | 176 Ų | 176 | 151.6 Ų | 151.6 | 82% | 0.822 | 84% | 0.842 | S | S | * | * | trans | -27.8 | 131.5 | 167.9 | -75.2 | 172.9 | -23.2 | 0 | 0 | 116.6 | ||||
| 10 | L | 38.5 | Very low | 40.4 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 74% | 0.738 | 84% | 0.837 | S | S | * | * | 102.6 | 115 | 84.4 | -83.8 | 169 | 0 | 0 | 0 | 111.4 | |||||
| 11 | L | 39.2 | Very low | 40.5 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | 164.6 | 120.4 | 126.2 | -104 | 128.5 | 0 | 0 | 0 | 110.1 | |||||
| 12 | P | 40 | Very low | 41 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -102.2 | 126.9 | 166.5 | 33.2 | -22.2 | 0 | 0 | 0 | 110.8 | ||||
| 13 | C | 39.8 | Very low | 41.7 | Very low | 125 Ų | 125 | 147 Ų | 147 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -121.8 | 113.2 | 162 | -90.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 14 | L | 37.3 | Very low | 42.3 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -65.7 | 125 | 167.1 | -77.7 | 146.2 | 0 | 0 | 0 | 110.3 | ||||
| 15 | V | 41.1 | Very low | 43.2 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -149.2 | 128.1 | 142.1 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 16 | S | 41 | Very low | 45.2 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -47 | 141.7 | 172.6 | 54.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 17 | G | 38.5 | Very low | 47.1 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 163.3 | 109.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 18 | K | 41.3 | Very low | 49.5 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | trans | 72 | 111.5 | 157.7 | -60.6 | -176.8 | 177.9 | 179.7 | 0 | 117.3 | V20 | K18-V20 VanDerWaalsContact C-N 3.34Å; K18-V20 HydrophobicContact CB-CG2 4.16Å; K18-V20 PolarHBondContact O-N 2.94Å | ||
| 19 | A | 39.7 | Very low | 51.7 | Low | 113 Ų | 113 | 129.1 Ų | 129.1 | 93% | 0.934 | 73% | 0.725 | S | S | * | * | trans | -55.8 | 98.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 20 | V | 46.9 | Very low | 54.1 | Low | 122 Ų | 122 | 124 Ų | 124 | 74% | 0.739 | 70% | 0.703 | S | S | * | * | trans | -99.3 | 113.7 | 168.1 | -179.2 | 0 | 0 | 0 | 0 | 105.7 | K18 R22 | K18-V20 VanDerWaalsContact C-N 3.34Å; K18-V20 HydrophobicContact CB-CG2 4.16Å; K18-V20 PolarHBondContact O-N 2.94Å; V20-R22 PolarHBondContact O-N 3.02Å | ||
| 21 | G | 41.2 | Very low | 56.7 | Low | 58 Ų | 58 | 119.2 Ų | 119.2 | 60% | 0.598 | 68% | 0.678 | S | S | * | * | trans | -52.3 | 112.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | W23 | G21-W23 PolarHBondContact O-N 2.93Š| ||
| 22 | R | 47.1 | Very low | 59.2 | Low | 233 Ų | 233 | 114 Ų | 114 | 88% | 0.879 | 65% | 0.654 | S | S | * | * | trans | -74.8 | 83.6 | 169.6 | -143.5 | -179.8 | -167.2 | -174.8 | 2.1 | 105.7 | V20 V24 | V20-R22 PolarHBondContact O-N 3.02Å; R22-V24 PolarHBondContact O-N 2.83Å | ||
| 23 | W | 50.2 | Low | 61.7 | Low | 246 Ų | 246 | 113 Ų | 113 | 93% | 0.932 | 64% | 0.639 | S | S | * | * | trans | -64.3 | 88 | 158.4 | -71.4 | 90.1 | 0 | 0 | 0 | 105.6 | G21 N25 | G21-W23 PolarHBondContact O-N 2.93Å; W23-N25 PolarHBondContact O-N 3.27Å | ||
| 24 | V | 52 | Low | 64.2 | Low | 60 Ų | 60 | 110 Ų | 110 | 36% | 0.364 | 61% | 0.612 | S | S | . | * | trans | -51.4 | 124 | 162.2 | -179.6 | 0 | 0 | 0 | 0 | 105 | R22 T26 E29 | R22-V24 PolarHBondContact O-N 2.83Å; V24-T26 HydrophobicContact CB-CG2 4.12Å; V24-T26 HydrophobicContact CG1-CG2 4.11Å; V24-T26 WeakPolarHBondContact O-CG2 3.46Å; V24-T26 PolarHBondContact O-N 2.76Å; V24-E29 HydrophobicContact CG1-CG 4.34Å; V24-E29 WeakPolarHBondContact CG1-OE1 3.1Å; V24-E29 WeakPolarHBondContact CG1-OE2 3.27Å | ||
| 25 | N | 60 | Low | 66.9 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 65% | 0.647 | 58% | 0.576 | S | S | * | * | trans | -74.3 | 77.7 | 173.6 | -139.8 | -0.7 | 0 | 0 | 0 | 105.7 | W23 D27 A28 E29 | W23-N25 PolarHBondContact O-N 3.27Å; N25-D27 PolarHBondContact O-N 3.07Å; N25-D27 VanDerWaalsContact O-N 3.14Å; N25-A28 HydrophobicContact CB-CB 4.33Å; N25-A28 PolarHBondContact O-N 2.88Å; N25-A28 VanDerWaalsContact O-N 3.14Å; N25-E29 PolarHBondContact O-N 3.34Å; N25-E29 VanDerWaalsContact O-N 3.07Å | ||
| 26 | T | 82 | Confident | 69.3 | Low | 88 Ų | 88 | 102.6 Ų | 102.6 | 54% | 0.54 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -55.4 | -39.2 | -161.8 | 49.1 | 0 | 0 | 0 | 0 | 111.1 | V24 L30 | V24-T26 HydrophobicContact CB-CG2 4.12Å; V24-T26 HydrophobicContact CG1-CG2 4.11Å; V24-T26 WeakPolarHBondContact O-CG2 3.46Å; V24-T26 PolarHBondContact O-N 2.76Å; T26-L30 WeakPolarHBondContact O-CB 3.5Å; T26-L30 PolarHBondContact O-N 3.14Å |
| 27 | D | 90 | Very high | 71.7 | Confident | 92 Ų | 92 | 100.7 Ų | 100.7 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76.1 | -38.2 | -174.7 | -64 | 5 | 0 | 0 | 0 | 111.7 | N25 L30 L31 F46 | N25-D27 PolarHBondContact O-N 3.07Å; N25-D27 VanDerWaalsContact O-N 3.14Å; D27-L30 PolarHBondContact O-N 3.14Å; D27-L31 WeakPolarHBondContact O-CB 3.35Å; D27-L31 VanDerWaalsContact O-CG 3.23Å; D27-L31 WeakPolarHBondContact O-CG 3.46Å; D27-L31 PolarHBondContact O-N 2.81Å; D27-F46 HydrophobicContact CB-CD2 4.37Å; D27-F46 HydrophobicContact CB-CE2 4.04Å |
| 28 | A | 88.8 | Confident | 74.2 | Confident | 55 Ų | 55 | 103.5 Ų | 103.5 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N25 L30 S32 | N25-A28 HydrophobicContact CB-CB 4.33Å; N25-A28 PolarHBondContact O-N 2.88Å; N25-A28 VanDerWaalsContact O-N 3.14Å; A28-L30 VanDerWaalsContact C-N 3.34Å; A28-S32 WeakPolarHBondContact O-CB 3.34Å; A28-S32 PolarHBondContact O-N 3.2Å |
| 29 | E | 89.9 | Confident | 76.4 | Confident | 119 Ų | 119 | 99 Ų | 99 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 173.3 | -71 | -173.3 | -175.8 | 0 | 0 | 111.5 | V24 N25 S32 H33 | V24-E29 HydrophobicContact CG1-CG 4.34Å; V24-E29 WeakPolarHBondContact CG1-OE1 3.1Å; V24-E29 WeakPolarHBondContact CG1-OE2 3.27Å; N25-E29 PolarHBondContact O-N 3.34Å; N25-E29 VanDerWaalsContact O-N 3.07Å; E29-S32 WeakPolarHBondContact O-CB 3.5Å; E29-S32 PolarHBondContact O-N 3.08Å; E29-H33 WeakPolarHBondContact O-CB 2.98Å; E29-H33 PolarHBondContact O-N 2.92Å |
| 30 | L | 91.5 | Very high | 78.6 | Confident | 68 Ų | 68 | 97.3 Ų | 97.3 | 36% | 0.356 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 176.9 | -174.2 | 61 | 0 | 0 | 0 | 112 | T26 D27 A28 S32 H33 F34 F46 | T26-L30 WeakPolarHBondContact O-CB 3.5Å; T26-L30 PolarHBondContact O-N 3.14Å; D27-L30 PolarHBondContact O-N 3.14Å; A28-L30 VanDerWaalsContact C-N 3.34Å; L30-S32 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 3.36Å; L30-H33 CarbonylContact O-C 3.59Å; L30-H33 WeakPolarHBondContact O-CB 3.43Å; L30-H33 PolarHBondContact O-N 2.78Å; L30-F34 HydrophobicContact CD1-CE1 3.99Å; L30-F34 HydrophobicContact CD1-CE2 3.99Å; L30-F34 HydrophobicContact CD1-CZ 3.7Å; L30-F34 HydrophobicContact CD2-CE2 4Å; L30-F34 HydrophobicContact CD2-CZ 4.18Å; L30-F34 HydrophobicContact CG-CD2 4.08Å; L30-F34 HydrophobicContact CG-CE1 4.49Å; L30-F34 HydrophobicContact CG-CE2 3.58Å; L30-F34 HydrophobicContact CG-CZ 3.82Å; L30-F34 WeakPolarHBondContact O-CB 3.39Å; L30-F34 WeakPolarHBondContact O-CD2 3.35Å; L30-F34 WeakPolarHBondContact O-CG 3.49Å; L30-F34 PolarHBondContact O-N 3.35Å; L30-F46 HydrophobicContact CD2-CE2 4.42Å; L30-F46 HydrophobicContact CD2-CZ 3.74Å; L30-F46 HydrophobicContact CG-CZ 4.1Å |
| 31 | L | 93.4 | Very high | 80.7 | Confident | 42 Ų | 42 | 97 Ų | 97 | 22% | 0.22 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 172.9 | -72.7 | 173.1 | 0 | 0 | 0 | 111.3 | D27 H33 F34 S35 V44 F46 | D27-L31 WeakPolarHBondContact O-CB 3.35Å; D27-L31 VanDerWaalsContact O-CG 3.23Å; D27-L31 WeakPolarHBondContact O-CG 3.46Å; D27-L31 PolarHBondContact O-N 2.81Å; L31-H33 VanDerWaalsContact C-N 3.33Å; L31-H33 PolarHBondContact O-N 2.79Å; L31-F34 PolarHBondContact O-N 3.5Å; L31-S35 WeakPolarHBondContact O-CB 3.29Å; L31-S35 PolarHBondContact O-N 3.33Å; L31-V44 HydrophobicContact CB-CG2 4.42Å; L31-V44 HydrophobicContact CD2-CG2 4Å; L31-V44 WeakPolarHBondContact O-CG2 3.44Å; L31-F46 HydrophobicContact CD1-CD2 3.97Å; L31-F46 HydrophobicContact CD1-CE2 4.19Å; L31-F46 HydrophobicContact CD2-CD1 4.41Å; L31-F46 HydrophobicContact CD2-CD2 3.68Å; L31-F46 HydrophobicContact CD2-CE1 4.36Å; L31-F46 HydrophobicContact CD2-CE2 3.62Å; L31-F46 HydrophobicContact CD2-CG 4.08Å; L31-F46 HydrophobicContact CD2-CZ 3.97Å; L31-F46 HydrophobicContact CG-CD2 3.79Å; L31-F46 HydrophobicContact CG-CE2 3.56Å; L31-F46 HydrophobicContact CG-CZ 4.26Å |
| 32 | S | 91.9 | Very high | 83 | Confident | 48 Ų | 48 | 101.5 Ų | 101.5 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 174 | -165 | 0 | 0 | 0 | 0 | 111.5 | A28 E29 L30 K36 | A28-S32 WeakPolarHBondContact O-CB 3.34Å; A28-S32 PolarHBondContact O-N 3.2Å; E29-S32 WeakPolarHBondContact O-CB 3.5Å; E29-S32 PolarHBondContact O-N 3.08Å; L30-S32 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 3.36Å; S32-K36 WeakPolarHBondContact O-CB 3.23Å; S32-K36 VanDerWaalsContact O-CG 3.27Å; S32-K36 WeakPolarHBondContact O-CG 3.36Å; S32-K36 PolarHBondContact O-N 3.48Å; S32-K36 VanDerWaalsContact O-N 3.08Å; S32-K36 PolarHBondContact OG-NZ 2.62Å |
| 33 | H | 91.9 | Very high | 85.1 | Confident | 99 Ų | 99 | 96.2 Ų | 96.2 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.6 | -178.6 | 70.6 | 0 | 0 | 0 | 111.4 | E29 L30 L31 K36 T37 | E29-H33 WeakPolarHBondContact O-CB 2.98Å; E29-H33 PolarHBondContact O-N 2.92Å; L30-H33 CarbonylContact O-C 3.59Å; L30-H33 WeakPolarHBondContact O-CB 3.43Å; L30-H33 PolarHBondContact O-N 2.78Å; L31-H33 VanDerWaalsContact C-N 3.33Å; L31-H33 PolarHBondContact O-N 2.79Å; H33-K36 PolarHBondContact O-N 3.36Å; H33-T37 PolarHBondContact CE1-OG1 2.92Å; H33-T37 PolarHBondContact ND1-OG1 3.33Å; H33-T37 WeakPolarHBondContact O-CB 3.14Å; H33-T37 PolarHBondContact O-N 2.88Å; H33-T37 PolarHBondContact O-OG1 3.46Å |
| 34 | F | 93.4 | Very high | 87.1 | Confident | 62 Ų | 62 | 86.3 Ų | 86.3 | 27% | 0.272 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.3 | -51.4 | 177.4 | -72.3 | -31.7 | 0 | 0 | 0 | 112.2 | L30 L31 K36 T37 F38 F39 V44 F46 | L30-F34 HydrophobicContact CD1-CE1 3.99Å; L30-F34 HydrophobicContact CD1-CE2 3.99Å; L30-F34 HydrophobicContact CD1-CZ 3.7Å; L30-F34 HydrophobicContact CD2-CE2 4Å; L30-F34 HydrophobicContact CD2-CZ 4.18Å; L30-F34 HydrophobicContact CG-CD2 4.08Å; L30-F34 HydrophobicContact CG-CE1 4.49Å; L30-F34 HydrophobicContact CG-CE2 3.58Å; L30-F34 HydrophobicContact CG-CZ 3.82Å; L30-F34 WeakPolarHBondContact O-CB 3.39Å; L30-F34 WeakPolarHBondContact O-CD2 3.35Å; L30-F34 WeakPolarHBondContact O-CG 3.49Å; L30-F34 PolarHBondContact O-N 3.35Å; L31-F34 PolarHBondContact O-N 3.5Å; F34-K36 VanDerWaalsContact C-N 3.33Å; F34-K36 PolarHBondContact O-N 3.49Å; F34-T37 PolarHBondContact O-N 3.33Å; F34-F38 HydrophobicContact CB-CD2 4.44Å; F34-F38 AromaticContact CD1-CD2 3.59Å; F34-F38 HydrophobicContact CD1-CD2 3.59Å; F34-F38 AromaticContact CD1-CE2 3.61Å; F34-F38 HydrophobicContact CD1-CE2 3.61Å; F34-F38 HydrophobicContact CE1-CD2 4.35Å; F34-F38 HydrophobicContact CE1-CE2 4.03Å; F34-F38 HydrophobicContact CG-CD2 4.46Å; F34-F38 PolarHBondContact O-N 2.75Å; F34-F39 WeakPolarHBondContact O-CD2 3.32Å; F34-F39 PolarHBondContact O-N 3.21Å; F34-V44 HydrophobicContact CB-CG2 4.06Å; F34-F46 HydrophobicContact CD2-CE1 4.39Å; F34-F46 HydrophobicContact CD2-CZ 4.18Å; F34-F46 AromaticContact CE2-CE1 3.82Å; F34-F46 HydrophobicContact CE2-CE1 3.82Å; F34-F46 AromaticContact CE2-CZ 3.71Å; F34-F46 HydrophobicContact CE2-CZ 3.71Å |
| 35 | S | 92.7 | Very high | 89.1 | Confident | 20 Ų | 20 | 88.2 Ų | 88.2 | 14% | 0.14 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -50.8 | -52.6 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | L31 F39 A40 N41 R42 | L31-S35 WeakPolarHBondContact O-CB 3.29Å; L31-S35 PolarHBondContact O-N 3.33Å; S35-F39 CarbonylContact O-C 3.57Å; S35-F39 PolarHBondContact O-N 2.88Å; S35-A40 PolarHBondContact O-N 3.12Å; S35-N41 WeakPolarHBondContact O-CA 3.48Å; S35-N41 PolarHBondContact O-N 3.46Å; S35-N41 WeakPolarHBondContact OG-CA 3.18Å; S35-R42 VanDerWaalsContact CB-O 3.29Å; S35-R42 WeakPolarHBondContact CB-O 3.4Å; S35-R42 PolarHBondContact OG-O 3.41Å |
| 36 | K | 91.9 | Very high | 90.7 | Very high | 132 Ų | 132 | 87.4 Ų | 87.4 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70.6 | -42.7 | -176.1 | -70.6 | 172.7 | -179.6 | 169 | 0 | 113.1 | S32 H33 F34 N41 | S32-K36 WeakPolarHBondContact O-CB 3.23Å; S32-K36 VanDerWaalsContact O-CG 3.27Å; S32-K36 WeakPolarHBondContact O-CG 3.36Å; S32-K36 PolarHBondContact O-N 3.48Å; S32-K36 VanDerWaalsContact O-N 3.08Å; S32-K36 PolarHBondContact OG-NZ 2.62Å; H33-K36 PolarHBondContact O-N 3.36Å; F34-K36 VanDerWaalsContact C-N 3.33Å; F34-K36 PolarHBondContact O-N 3.49Å; K36-N41 WeakPolarHBondContact CG-OD1 3.26Å |
| 37 | T | 91.9 | Very high | 91.2 | Very high | 75 Ų | 75 | 88.4 Ų | 88.4 | 46% | 0.46 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -86.5 | -40.6 | -169 | -48.8 | 0 | 0 | 0 | 0 | 112.5 | H33 F34 | H33-T37 PolarHBondContact CE1-OG1 2.92Å; H33-T37 PolarHBondContact ND1-OG1 3.33Å; H33-T37 WeakPolarHBondContact O-CB 3.14Å; H33-T37 PolarHBondContact O-N 2.88Å; H33-T37 PolarHBondContact O-OG1 3.46Å; F34-T37 PolarHBondContact O-N 3.33Å |
| 38 | F | 90.3 | Very high | 91.4 | Very high | 128 Ų | 128 | 93.6 Ų | 93.6 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -111.8 | -25.8 | -170.3 | -55 | -64.4 | 0 | 0 | 0 | 113.8 | F34 | F34-F38 HydrophobicContact CB-CD2 4.44Å; F34-F38 AromaticContact CD1-CD2 3.59Å; F34-F38 HydrophobicContact CD1-CD2 3.59Å; F34-F38 AromaticContact CD1-CE2 3.61Å; F34-F38 HydrophobicContact CD1-CE2 3.61Å; F34-F38 HydrophobicContact CE1-CD2 4.35Å; F34-F38 HydrophobicContact CE1-CE2 4.03Å; F34-F38 HydrophobicContact CG-CD2 4.46Å; F34-F38 PolarHBondContact O-N 2.75Å |
| 39 | F | 88.2 | Confident | 91.7 | Very high | 98 Ų | 98 | 98 Ų | 98 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -117 | 21.2 | -171.6 | -62.9 | -81.4 | 0 | 0 | 0 | 113.9 | F34 S35 N41 R42 V44 | F34-F39 WeakPolarHBondContact O-CD2 3.32Å; F34-F39 PolarHBondContact O-N 3.21Å; S35-F39 CarbonylContact O-C 3.57Å; S35-F39 PolarHBondContact O-N 2.88Å; F39-N41 VanDerWaalsContact C-N 3.26Å; F39-N41 PolarHBondContact O-N 2.93Å; F39-R42 HydrophobicContact CB-CB 4.17Å; F39-R42 VanDerWaalsContact O-CB 3.26Å; F39-R42 WeakPolarHBondContact O-CB 3.46Å; F39-R42 WeakPolarHBondContact O-CD 3.47Å; F39-R42 WeakPolarHBondContact O-CG 3.35Å; F39-R42 PolarHBondContact O-N 3.2Å; F39-V44 HydrophobicContact CB-CG1 4.13Å; F39-V44 HydrophobicContact CD1-CG1 4.49Å; F39-V44 HydrophobicContact CD2-CG1 3.63Å; F39-V44 HydrophobicContact CE2-CG1 4.13Å; F39-V44 HydrophobicContact CG-CG1 3.83Å |
| 40 | A | 86.2 | Confident | 91.8 | Very high | 78 Ų | 78 | 100.9 Ų | 100.9 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S35 R42 | S35-A40 PolarHBondContact O-N 3.12Å; A40-R42 VanDerWaalsContact C-N 3.31Å; A40-R42 PolarHBondContact O-N 3.08Å |
| 41 | N | 90.7 | Very high | 91.8 | Very high | 115 Ų | 115 | 103.1 Ų | 103.1 | 62% | 0.615 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 18.4 | -176.4 | -50.3 | -70.1 | 0 | 0 | 0 | 115.6 | S35 K36 F39 | S35-N41 WeakPolarHBondContact O-CA 3.48Å; S35-N41 PolarHBondContact O-N 3.46Å; S35-N41 WeakPolarHBondContact OG-CA 3.18Å; K36-N41 WeakPolarHBondContact CG-OD1 3.26Å; F39-N41 VanDerWaalsContact C-N 3.26Å; F39-N41 PolarHBondContact O-N 2.93Å |
| 42 | R | 88.8 | Confident | 91.6 | Very high | 152 Ų | 152 | 108.5 Ų | 108.5 | 57% | 0.574 | 56% | 0.557 | S | S | * | * | trans | -70.8 | 146.3 | 169.8 | -67 | 170.3 | -178.3 | 145.2 | -1 | 110.6 | S35 F39 A40 V44 | S35-R42 VanDerWaalsContact CB-O 3.29Å; S35-R42 WeakPolarHBondContact CB-O 3.4Å; S35-R42 PolarHBondContact OG-O 3.41Å; F39-R42 HydrophobicContact CB-CB 4.17Å; F39-R42 VanDerWaalsContact O-CB 3.26Å; F39-R42 WeakPolarHBondContact O-CB 3.46Å; F39-R42 WeakPolarHBondContact O-CD 3.47Å; F39-R42 WeakPolarHBondContact O-CG 3.35Å; F39-R42 PolarHBondContact O-N 3.2Å; A40-R42 VanDerWaalsContact C-N 3.31Å; A40-R42 PolarHBondContact O-N 3.08Å; R42-V44 PolarHBondContact O-N 2.81Å | ||
| 43 | S | 91.4 | Very high | 91.4 | Very high | 123 Ų | 123 | 113.5 Ų | 113.5 | 86% | 0.86 | 57% | 0.573 | S | S | * | * | trans | -62.3 | 133.1 | 174.2 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 44 | V | 92.4 | Very high | 91.1 | Very high | 37 Ų | 37 | 113.3 Ų | 113.3 | 22% | 0.224 | 58% | 0.575 | C | S | . | * | trans | -132.8 | 151.4 | 176.4 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | L31 F34 F39 R42 | L31-V44 HydrophobicContact CB-CG2 4.42Å; L31-V44 HydrophobicContact CD2-CG2 4Å; L31-V44 WeakPolarHBondContact O-CG2 3.44Å; F34-V44 HydrophobicContact CB-CG2 4.06Å; F39-V44 HydrophobicContact CB-CG1 4.13Å; F39-V44 HydrophobicContact CD1-CG1 4.49Å; F39-V44 HydrophobicContact CD2-CG1 3.63Å; F39-V44 HydrophobicContact CE2-CG1 4.13Å; F39-V44 HydrophobicContact CG-CG1 3.83Å; R42-V44 PolarHBondContact O-N 2.81Å | ||
| 45 | S | 94 | Very high | 90.6 | Very high | 100 Ų | 100 | 113.3 Ų | 113.3 | 70% | 0.699 | 59% | 0.587 | S | S | * | * | trans | -141.7 | 152.8 | 178.2 | 56.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 46 | F | 93.2 | Very high | 90 | Very high | 105 Ų | 105 | 120.3 Ų | 120.3 | 46% | 0.461 | 62% | 0.623 | S | S | . | * | trans | -77.7 | 157.7 | 164.1 | -65.6 | -62 | 0 | 0 | 0 | 110.2 | D27 L30 L31 F34 | D27-F46 HydrophobicContact CB-CD2 4.37Å; D27-F46 HydrophobicContact CB-CE2 4.04Å; L30-F46 HydrophobicContact CD2-CE2 4.42Å; L30-F46 HydrophobicContact CD2-CZ 3.74Å; L30-F46 HydrophobicContact CG-CZ 4.1Å; L31-F46 HydrophobicContact CD1-CD2 3.97Å; L31-F46 HydrophobicContact CD1-CE2 4.19Å; L31-F46 HydrophobicContact CD2-CD1 4.41Å; L31-F46 HydrophobicContact CD2-CD2 3.68Å; L31-F46 HydrophobicContact CD2-CE1 4.36Å; L31-F46 HydrophobicContact CD2-CE2 3.62Å; L31-F46 HydrophobicContact CD2-CG 4.08Å; L31-F46 HydrophobicContact CD2-CZ 3.97Å; L31-F46 HydrophobicContact CG-CD2 3.79Å; L31-F46 HydrophobicContact CG-CE2 3.56Å; L31-F46 HydrophobicContact CG-CZ 4.26Å; F34-F46 HydrophobicContact CD2-CE1 4.39Å; F34-F46 HydrophobicContact CD2-CZ 4.18Å; F34-F46 AromaticContact CE2-CE1 3.82Å; F34-F46 HydrophobicContact CE2-CE1 3.82Å; F34-F46 AromaticContact CE2-CZ 3.71Å; F34-F46 HydrophobicContact CE2-CZ 3.71Å | ||
| 47 | T | 92.5 | Very high | 89.6 | Confident | 108 Ų | 108 | 118 Ų | 118 | 66% | 0.663 | 62% | 0.623 | S | S | * | * | trans | -140.1 | 144.1 | 170 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | E49 | T47-E49 PolarHBondContact OG1-N 3.32Å; T47-E49 VanDerWaalsContact OG1-N 3.12Å | ||
| 48 | E | 94.3 | Very high | 89.1 | Confident | 201 Ų | 201 | 118.6 Ų | 118.6 | 94% | 0.939 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -94.4 | -11 | 171.2 | -63.1 | -179.4 | -175.5 | 0 | 0 | 111.5 | ||
| 49 | E | 94.7 | Very high | 89.2 | Confident | 149 Ų | 149 | 121.1 Ų | 121.1 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -87.3 | 121.1 | 178.5 | -62.7 | -173.8 | 172.4 | 0 | 0 | 110.6 | T47 E51 | T47-E49 PolarHBondContact OG1-N 3.32Å; T47-E49 VanDerWaalsContact OG1-N 3.12Å; E49-E51 PolarHBondContact O-N 3.36Å; E49-E51 VanDerWaalsContact O-N 3.08Å |
| 50 | M | 92.9 | Very high | 89.4 | Confident | 178 Ų | 178 | 120.5 Ų | 120.5 | 88% | 0.877 | 65% | 0.645 | S | S | * | * | trans | -77.5 | 90.6 | 171.9 | -175.9 | -179.3 | -67.5 | 0 | 0 | 109.6 | F52 | M50-F52 HydrophobicContact CG-CE2 4.38Š| ||
| 51 | E | 90.8 | Very high | 89.9 | Confident | 116 Ų | 116 | 118.6 Ų | 118.6 | 54% | 0.542 | 62% | 0.623 | S | S | . | * | trans | -118 | 122.5 | 178.5 | -164.4 | -158 | 154 | 0 | 0 | 110.9 | E49 K53 | E49-E51 PolarHBondContact O-N 3.36Å; E49-E51 VanDerWaalsContact O-N 3.08Å; E51-K53 IonicContact OE1-NZ 2.75Å; E51-K53 PolarHBondContact OE1-NZ 3.32Å; E51-K53 IonicContact OE2-NZ 3.46Å; E51-K53 PolarHBondContact OE2-NZ 2.75Å | ||
| 52 | F | 90.2 | Very high | 90.2 | Very high | 155 Ų | 155 | 118.1 Ų | 118.1 | 68% | 0.68 | 63% | 0.626 | S | S | * | * | trans | -83.9 | 129.4 | 170.6 | -74.2 | -96.8 | 0 | 0 | 0 | 110 | M50 N54 | M50-F52 HydrophobicContact CG-CE2 4.38Å; F52-N54 PolarHBondContact O-N 2.74Å | ||
| 53 | K | 87.8 | Confident | 90.6 | Very high | 153 Ų | 153 | 115.3 Ų | 115.3 | 67% | 0.665 | 62% | 0.622 | S | S | * | * | trans | -80.6 | 107.1 | 171.7 | -61.1 | -61.4 | 171.8 | -166 | 0 | 109.4 | E51 | E51-K53 IonicContact OE1-NZ 2.75Å; E51-K53 PolarHBondContact OE1-NZ 3.32Å; E51-K53 IonicContact OE2-NZ 3.46Å; E51-K53 PolarHBondContact OE2-NZ 2.75Å | ||
| 54 | N | 85.4 | Confident | 90.9 | Very high | 95 Ų | 95 | 113 Ų | 113 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | trans | -99.3 | 146.6 | 179.9 | -67 | -39.6 | 0 | 0 | 0 | 110.8 | F52 D56 S57 T58 | F52-N54 PolarHBondContact O-N 2.74Å; N54-D56 PolarHBondContact O-N 3.28Å; N54-S57 PolarHBondContact O-N 2.99Å; N54-S57 VanDerWaalsContact O-N 3.11Å; N54-S57 PolarHBondContact O-OG 3.34Å; N54-T58 PolarHBondContact O-OG1 3.01Å; N54-T58 VanDerWaalsContact O-OG1 3.09Å | ||
| 55 | A | 82.3 | Confident | 91 | Very high | 62 Ų | 62 | 116.8 Ų | 116.8 | 51% | 0.512 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -55.6 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S57 T58 | A55-S57 PolarHBondContact O-N 3.25Å; A55-S57 VanDerWaalsContact O-N 3.16Å; A55-T58 PolarHBondContact O-N 2.87Å |
| 56 | D | 80.6 | Confident | 90.9 | Very high | 167 Ų | 167 | 112.7 Ų | 112.7 | 89% | 0.893 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -63.6 | -22.7 | -178.6 | -57.8 | -28.2 | 0 | 0 | 0 | 114.1 | N54 | N54-D56 PolarHBondContact O-N 3.28Š|
| 57 | S | 82.2 | Confident | 90.9 | Very high | 83 Ų | 83 | 107.7 Ų | 107.7 | 58% | 0.58 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -92.7 | -8.1 | 178.7 | 62.9 | 0 | 0 | 0 | 0 | 113.7 | N54 A55 | N54-S57 PolarHBondContact O-N 2.99Å; N54-S57 VanDerWaalsContact O-N 3.11Å; N54-S57 PolarHBondContact O-OG 3.34Å; A55-S57 PolarHBondContact O-N 3.25Å; A55-S57 VanDerWaalsContact O-N 3.16Å |
| 58 | T | 82.9 | Confident | 90.9 | Very high | 87 Ų | 87 | 104.2 Ų | 104.2 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -95 | 129.7 | -174.5 | -52.4 | 0 | 0 | 0 | 0 | 109.7 | N54 A55 T60 | N54-T58 PolarHBondContact O-OG1 3.01Å; N54-T58 VanDerWaalsContact O-OG1 3.09Å; A55-T58 PolarHBondContact O-N 2.87Å; T58-T60 PolarHBondContact O-N 2.6Å |
| 59 | E | 91.3 | Very high | 90.7 | Very high | 181 Ų | 181 | 97.4 Ų | 97.4 | 85% | 0.846 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 133.4 | 173.5 | -171.9 | 177.3 | -173.5 | 0 | 0 | 110.3 | ||
| 60 | T | 93.2 | Very high | 90.6 | Very high | 86 Ų | 86 | 93.2 Ų | 93.2 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 152.7 | -178.4 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | T58 D267 | T58-T60 PolarHBondContact O-N 2.6Å; T60-D267 VanDerWaalsContact CA-OD2 3.3Å; T60-D267 WeakPolarHBondContact CA-OD2 3.42Å; T60-D267 WeakPolarHBondContact CB-OD1 3.47Å; T60-D267 HydrophobicContact CG2-CB 4.3Å |
| 61 | I | 96.5 | Very high | 90.5 | Very high | 37 Ų | 37 | 84.9 Ų | 84.9 | 19% | 0.19 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 124 | 176.6 | -62.8 | 173.2 | 0 | 0 | 0 | 109 | D267 A270 T280 R282 | I61-D267 PolarHBondContact N-OD2 3.2Å; I61-A270 HydrophobicContact CD1-CB 3.69Å; I61-A270 WeakPolarHBondContact CD1-O 3.36Å; I61-T280 HydrophobicContact CD1-CG2 4.27Å; I61-R282 HydrophobicContact CB-CB 4.48Å; I61-R282 HydrophobicContact CG2-CB 3.77Å; I61-R282 PolarHBondContact O-NH1 2.96Å |
| 62 | P | 97.6 | Very high | 90.5 | Very high | 105 Ų | 105 | 85.9 Ų | 85.9 | 68% | 0.682 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 153.6 | -177.1 | 28.7 | -35.8 | 0 | 0 | 0 | 112 | F64 | P62-F64 PolarHBondContact O-N 3.37Š|
| 63 | I | 97.5 | Very high | 90.5 | Very high | 94 Ų | 94 | 80.5 Ų | 80.5 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 107.7 | 179.3 | -56.2 | 177.3 | 0 | 0 | 0 | 109.5 | R282 D284 M313 | I63-R282 HydrophobicContact CG1-CG 3.99Å; I63-D284 HydrophobicContact CG2-CB 3.9Å; I63-M313 HydrophobicContact CD1-CG 4.06Å; I63-M313 HydrophobicContact CG1-CG 4.25Å |
| 64 | F | 96.5 | Very high | 90.6 | Very high | 75 Ų | 75 | 77.6 Ų | 77.6 | 33% | 0.329 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135 | 175.5 | 178.2 | -107.6 | 0 | 0 | 0 | 111.5 | P62 V66 I281 R282 V283 D284 A290 C294 | P62-F64 PolarHBondContact O-N 3.37Å; F64-V66 HydrophobicContact CE1-CG2 3.74Å; F64-V66 HydrophobicContact CZ-CG2 3.7Å; F64-I281 HydrophobicContact CB-CD1 4.04Å; F64-I281 HydrophobicContact CB-CG1 4.36Å; F64-I281 HydrophobicContact CG-CD1 4.3Å; F64-R282 WeakPolarHBondContact CB-O 3.36Å; F64-R282 PolarHBondContact N-O 3.32Å; F64-V283 HydrophobicContact CB-CG2 4.45Å; F64-V283 HydrophobicContact CD1-CG2 4.03Å; F64-V283 WeakPolarHBondContact O-CG2 3.4Å; F64-D284 PolarHBondContact O-N 3Å; F64-A290 HydrophobicContact CD1-CB 3.79Å; F64-A290 HydrophobicContact CE1-CB 3.84Å; F64-C294 WeakPolarHBondContact CD1-SG 3.43Å |
| 65 | R | 93.8 | Very high | 90.3 | Very high | 116 Ų | 116 | 76.3 Ų | 76.3 | 44% | 0.438 | 42% | 0.416 | S | S | . | . | trans | -148.9 | 143 | -179.3 | -172.2 | 173.4 | 64 | -177.6 | -6.1 | 110.8 | M67 L74 D284 D287 | R65-M67 WeakPolarHBondContact CD-O 3.38Å; R65-M67 WeakPolarHBondContact CG-O 3.02Å; R65-L74 HydrophobicContact CG-CD1 4.32Å; R65-D284 HydrophobicContact CB-CB 4.17Å; R65-D284 WeakPolarHBondContact CD-OD2 3.21Å; R65-D284 HydrophobicContact CG-CB 4.16Å; R65-D287 HydrophobicContact CG-CB 4.27Å; R65-D287 VanDerWaalsContact CG-OD2 3.28Å; R65-D287 WeakPolarHBondContact CG-OD2 3.39Å | ||
| 66 | V | 93.7 | Very high | 89.4 | Confident | 14 Ų | 14 | 81.8 Ų | 81.8 | 9% | 0.085 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -107.2 | -38.8 | -179.2 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | F64 L73 L74 T79 D287 F289 A290 | F64-V66 HydrophobicContact CE1-CG2 3.74Å; F64-V66 HydrophobicContact CZ-CG2 3.7Å; V66-L73 HydrophobicContact CG1-CD2 4.2Å; V66-L74 PolarHBondContact O-N 3Å; V66-T79 HydrophobicContact CG1-CG2 3.35Å; V66-D287 WeakPolarHBondContact CA-OD2 3.46Å; V66-D287 PolarHBondContact N-OD2 3.26Å; V66-F289 HydrophobicContact CB-CB 4.15Å; V66-F289 HydrophobicContact CG1-CB 3.86Å; V66-A290 HydrophobicContact CB-CB 4.26Å; V66-A290 HydrophobicContact CG2-CB 3.85Å |
| 67 | M | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 43% | 0.43 | C | S | . | . | B | Isolated β-bridge | trans | -126 | 135.3 | -174.7 | 178.9 | 173.2 | 62.4 | 0 | 0 | 110.7 | R65 G71 Y72 L73 D287 F289 R347 F351 | R65-M67 WeakPolarHBondContact CD-O 3.38Å; R65-M67 WeakPolarHBondContact CG-O 3.02Å; M67-G71 VanDerWaalsContact SD-CA 3.54Å; M67-Y72 CarbonylContact C-O 3.45Å; M67-Y72 WeakPolarHBondContact CA-O 3.45Å; M67-L73 HydrophobicContact CB-CD2 4.21Å; M67-D287 PolarHBondContact N-OD2 3.07Å; M67-F289 HydrophobicContact CB-CD2 4.44Å; M67-F289 HydrophobicContact CE-CD2 4.11Å; M67-F289 HydrophobicContact CE-CE2 4.19Å; M67-F289 HydrophobicContact SD-CD2 4.14Å; M67-F289 HydrophobicContact SD-CE2 4.01Å; M67-R347 HydrophobicContact CE-CB 4.38Å; M67-R347 HydrophobicContact CE-CG 3.89Å; M67-R347 PolarHBondContact O-NH1 3.09Å; M67-R347 PolarHBondContact O-NH2 3.25Å; M67-F351 HydrophobicContact SD-CB 3.6Å; M67-F351 VanDerWaalsContact SD-CB 3.6Å; M67-F351 HydrophobicContact SD-CD2 4.13Å; M67-F351 HydrophobicContact SD-CG 4.02Å |
| 68 | N | 92.6 | Very high | 87 | Confident | 35 Ų | 35 | 86 Ų | 86 | 19% | 0.187 | 44% | 0.436 | C | S | . | . | trans | -75.9 | 172 | 176.1 | 72.1 | 15.7 | 0 | 0 | 0 | 112.8 | S70 G71 Y72 L74 R347 | N68-S70 PolarHBondContact O-N 3.06Å; N68-S70 VanDerWaalsContact O-N 3.13Å; N68-S70 WeakPolarHBondContact OD1-CA 3.39Å; N68-S70 PolarHBondContact OD1-N 2.75Å; N68-S70 VanDerWaalsContact OD1-N 3.1Å; N68-G71 PolarHBondContact O-N 3.11Å; N68-G71 PolarHBondContact OD1-N 3.16Å; N68-Y72 PolarHBondContact N-O 3.16Å; N68-Y72 PolarHBondContact OD1-N 3.28Å; N68-L74 HydrophobicContact CB-CD1 4.43Å; N68-L74 HydrophobicContact CB-CD2 3.91Å; N68-L74 HydrophobicContact CB-CG 4.22Å; N68-R347 WeakPolarHBondContact O-CD 3.37Å; N68-R347 WeakPolarHBondContact O-CG 3.5Å | ||
| 69 | S | 90.8 | Very high | 85.7 | Confident | 58 Ų | 58 | 83.3 Ų | 83.3 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24 | 179.9 | 50.7 | 0 | 0 | 0 | 0 | 114 | G71 | S69-G71 VanDerWaalsContact C-N 3.33Š|
| 70 | S | 91.2 | Very high | 84.2 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 43% | 0.427 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.5 | 175.3 | -51.7 | 0 | 0 | 0 | 0 | 113.6 | N68 S350 K354 | N68-S70 PolarHBondContact O-N 3.06Å; N68-S70 VanDerWaalsContact O-N 3.13Å; N68-S70 WeakPolarHBondContact OD1-CA 3.39Å; N68-S70 PolarHBondContact OD1-N 2.75Å; N68-S70 VanDerWaalsContact OD1-N 3.1Å; S70-S350 WeakPolarHBondContact O-CB 3.42Å; S70-K354 PolarHBondContact O-NZ 2.99Å |
| 71 | G | 90.8 | Very high | 83 | Confident | 2 Ų | 2 | 81.3 Ų | 81.3 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | S | Bend | trans | 83.1 | 19 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | M67 N68 S69 | M67-G71 VanDerWaalsContact SD-CA 3.54Å; N68-G71 PolarHBondContact O-N 3.11Å; N68-G71 PolarHBondContact OD1-N 3.16Å; S69-G71 VanDerWaalsContact C-N 3.33Å |
| 72 | Y | 91.3 | Very high | 81.9 | Confident | 137 Ų | 137 | 81.1 Ų | 81.1 | 54% | 0.537 | 41% | 0.41 | S | S | . | . | trans | -95.2 | 136 | 172.8 | -64.2 | -74.5 | 0 | 0 | 0 | 111.2 | M67 N68 L74 K354 | M67-Y72 CarbonylContact C-O 3.45Å; M67-Y72 WeakPolarHBondContact CA-O 3.45Å; N68-Y72 PolarHBondContact N-O 3.16Å; N68-Y72 PolarHBondContact OD1-N 3.28Å; Y72-L74 PolarHBondContact O-N 3.41Å; Y72-K354 HydrophobicContact CD1-CD 4.21Å; Y72-K354 HydrophobicContact CE1-CD 3.82Å; Y72-K354 PolarHBondContact OH-NZ 3.29Å | ||
| 73 | L | 91.3 | Very high | 81.3 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 23% | 0.225 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -69 | 126.5 | 172 | -57.4 | 179 | 0 | 0 | 0 | 110.3 | V66 M67 T79 I82 F289 F351 | V66-L73 HydrophobicContact CG1-CD2 4.2Å; M67-L73 HydrophobicContact CB-CD2 4.21Å; L73-T79 HydrophobicContact CB-CG2 4.24Å; L73-T79 HydrophobicContact CD1-CG2 4.14Å; L73-T79 HydrophobicContact CD2-CG2 4.08Å; L73-T79 HydrophobicContact CG-CG2 4.37Å; L73-I82 HydrophobicContact CD1-CD1 3.95Å; L73-I82 HydrophobicContact CD2-CD1 3.7Å; L73-I82 HydrophobicContact CG-CD1 4.48Å; L73-F289 HydrophobicContact CD2-CD2 4.16Å; L73-F289 HydrophobicContact CD2-CE2 4.45Å; L73-F351 HydrophobicContact CD1-CE2 4.03Å; L73-F351 HydrophobicContact CD2-CD2 4.36Å; L73-F351 HydrophobicContact CD2-CE2 4.05Å; L73-F351 HydrophobicContact CG-CD2 4.46Å; L73-F351 HydrophobicContact CG-CE2 4.01Å |
| 74 | L | 88.5 | Confident | 81 | Confident | 91 Ų | 91 | 76.5 Ų | 76.5 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -81.2 | -41.7 | -172.8 | -71.4 | 173.8 | 0 | 0 | 0 | 113 | R65 V66 N68 Y72 | R65-L74 HydrophobicContact CG-CD1 4.32Å; V66-L74 PolarHBondContact O-N 3Å; N68-L74 HydrophobicContact CB-CD1 4.43Å; N68-L74 HydrophobicContact CB-CD2 3.91Å; N68-L74 HydrophobicContact CB-CG 4.22Å; Y72-L74 PolarHBondContact O-N 3.41Å |
| 75 | N | 79.2 | Confident | 81 | Confident | 68 Ų | 68 | 80 Ų | 80 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | trans | -124.3 | 91.8 | 179.8 | -171.7 | -13.1 | 0 | 0 | 0 | 110.1 | M77 Q78 T79 | N75-M77 PolarHBondContact O-N 3.24Å; N75-M77 VanDerWaalsContact O-N 3.15Å; N75-M77 PolarHBondContact OD1-N 2.96Å; N75-M77 VanDerWaalsContact OD1-N 3.12Å; N75-Q78 HydrophobicContact CB-CB 4.38Å; N75-Q78 WeakPolarHBondContact ND2-CG 3.42Å; N75-Q78 PolarHBondContact ND2-OE1 3.26Å; N75-Q78 PolarHBondContact O-N 3.47Å; N75-Q78 PolarHBondContact OD1-N 3.39Å; N75-T79 PolarHBondContact O-N 2.98Å; N75-T79 VanDerWaalsContact O-N 3.08Å; N75-T79 PolarHBondContact O-OG1 3.34Å | ||
| 76 | K | 64.7 | Low | 81.1 | Confident | 177 Ų | 177 | 76.2 Ų | 76.2 | 77% | 0.77 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.3 | 179.4 | -69.9 | -167.4 | 179 | -171.8 | 0 | 114 | T79 | K76-T79 VanDerWaalsContact C-OG1 3.29Å; K76-T79 WeakPolarHBondContact CA-OG1 3.49Å; K76-T79 PolarHBondContact O-OG1 3.13Å |
| 77 | M | 56.4 | Low | 81.2 | Confident | 186 Ų | 186 | 75.6 Ų | 75.6 | 92% | 0.916 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -23 | -179.2 | -62.3 | -140.5 | -57.6 | 0 | 0 | 113.8 | N75 | N75-M77 PolarHBondContact O-N 3.24Å; N75-M77 VanDerWaalsContact O-N 3.15Å; N75-M77 PolarHBondContact OD1-N 2.96Å; N75-M77 VanDerWaalsContact OD1-N 3.12Å |
| 78 | Q | 54.3 | Low | 81.4 | Confident | 152 Ų | 152 | 77.2 Ų | 77.2 | 71% | 0.71 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -5.7 | 176.3 | -73.9 | 179.7 | -11.9 | 0 | 0 | 113 | N75 I80 | N75-Q78 HydrophobicContact CB-CB 4.38Å; N75-Q78 WeakPolarHBondContact ND2-CG 3.42Å; N75-Q78 PolarHBondContact ND2-OE1 3.26Å; N75-Q78 PolarHBondContact O-N 3.47Å; N75-Q78 PolarHBondContact OD1-N 3.39Å; Q78-I80 PolarHBondContact O-N 2.92Å |
| 79 | T | 55.8 | Low | 81.7 | Confident | 31 Ų | 31 | 81.2 Ų | 81.2 | 19% | 0.19 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -71.2 | 125.6 | 179.4 | 11.6 | 0 | 0 | 0 | 0 | 109 | V66 L73 N75 K76 N81 | V66-T79 HydrophobicContact CG1-CG2 3.35Å; L73-T79 HydrophobicContact CB-CG2 4.24Å; L73-T79 HydrophobicContact CD1-CG2 4.14Å; L73-T79 HydrophobicContact CD2-CG2 4.08Å; L73-T79 HydrophobicContact CG-CG2 4.37Å; N75-T79 PolarHBondContact O-N 2.98Å; N75-T79 VanDerWaalsContact O-N 3.08Å; N75-T79 PolarHBondContact O-OG1 3.34Å; K76-T79 VanDerWaalsContact C-OG1 3.29Å; K76-T79 WeakPolarHBondContact CA-OG1 3.49Å; K76-T79 PolarHBondContact O-OG1 3.13Å; T79-N81 PolarHBondContact O-N 3.48Å |
| 80 | I | 60.4 | Low | 82 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 34% | 0.344 | 39% | 0.387 | S | S | . | . | trans | -44.1 | 138.6 | 162 | -61.7 | -176.5 | 0 | 0 | 0 | 107.5 | Q78 I82 Y292 S293 | Q78-I80 PolarHBondContact O-N 2.92Å; I80-I82 WeakPolarHBondContact O-CG1 3.47Å; I80-I82 PolarHBondContact O-N 3.34Å; I80-Y292 HydrophobicContact CD1-CD1 4.05Å; I80-Y292 HydrophobicContact CD1-CE1 4.14Å; I80-S293 WeakPolarHBondContact CD1-OG 3.21Å | ||
| 81 | N | 67.8 | Low | 82.4 | Confident | 159 Ų | 159 | 75.6 Ų | 75.6 | 85% | 0.85 | 37% | 0.367 | S | S | * | . | trans | -62 | 93.4 | 169 | -171.4 | 15.2 | 0 | 0 | 0 | 107.2 | T79 D83 | T79-N81 PolarHBondContact O-N 3.48Å; N81-D83 PolarHBondContact O-N 3.36Å | ||
| 82 | I | 72.9 | Confident | 82.7 | Confident | 33 Ų | 33 | 79.1 Ų | 79.1 | 17% | 0.169 | 38% | 0.382 | C | S | . | . | trans | -67.4 | 105.9 | -174.8 | -68.7 | 159.4 | 0 | 0 | 0 | 106.4 | L73 I80 G84 A87 F289 F351 | L73-I82 HydrophobicContact CD1-CD1 3.95Å; L73-I82 HydrophobicContact CD2-CD1 3.7Å; L73-I82 HydrophobicContact CG-CD1 4.48Å; I80-I82 WeakPolarHBondContact O-CG1 3.47Å; I80-I82 PolarHBondContact O-N 3.34Å; I82-G84 PolarHBondContact O-N 3.3Å; I82-A87 HydrophobicContact CG2-CB 3.95Å; I82-F289 HydrophobicContact CB-CE1 4.48Å; I82-F289 HydrophobicContact CD1-CD1 3.99Å; I82-F289 HydrophobicContact CD1-CD2 3.56Å; I82-F289 HydrophobicContact CD1-CE1 4.06Å; I82-F289 HydrophobicContact CD1-CE2 3.62Å; I82-F289 HydrophobicContact CD1-CG 3.77Å; I82-F289 HydrophobicContact CD1-CZ 3.89Å; I82-F289 HydrophobicContact CG1-CD1 4.05Å; I82-F289 HydrophobicContact CG1-CD2 4.49Å; I82-F289 HydrophobicContact CG1-CE1 4.11Å; I82-F289 HydrophobicContact CG1-CG 4.27Å; I82-F289 HydrophobicContact CG1-CZ 4.36Å; I82-F289 HydrophobicContact CG2-CD1 4.23Å; I82-F289 HydrophobicContact CG2-CE1 3.49Å; I82-F289 VanDerWaalsContact CG2-CE1 3.49Å; I82-F289 HydrophobicContact CG2-CE2 4.46Å; I82-F289 HydrophobicContact CG2-CZ 3.63Å; I82-F351 HydrophobicContact CD1-CE2 4.46Å; I82-F351 HydrophobicContact CD1-CZ 4.15Å; I82-F351 HydrophobicContact CG2-CE1 4.24Å; I82-F351 HydrophobicContact CG2-CZ 4.17Å | ||
| 83 | D | 85.8 | Confident | 83.1 | Confident | 83 Ų | 83 | 73.6 Ų | 73.6 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | trans | -60.4 | 119.7 | 170.6 | 170.9 | 26 | 0 | 0 | 0 | 109.3 | N81 H85 L86 A87 | N81-D83 PolarHBondContact O-N 3.36Å; D83-H85 PolarHBondContact O-N 2.92Å; D83-H85 IonicContact OD1-CD2 3.56Å; D83-H85 IonicContact OD1-CG 2.81Å; D83-H85 PolarHBondContact OD1-N 3.33Å; D83-L86 HydrophobicContact CB-CB 3.94Å; D83-L86 WeakPolarHBondContact O-CB 3.26Å; D83-L86 PolarHBondContact O-N 2.95Å; D83-L86 VanDerWaalsContact O-N 3.11Å; D83-L86 PolarHBondContact OD2-N 2.62Å; D83-A87 PolarHBondContact O-N 2.9Å | ||
| 84 | G | 92 | Very high | 83.4 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 19% | 0.186 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.6 | -33.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I82 A87 I88 | I82-G84 PolarHBondContact O-N 3.3Å; G84-A87 PolarHBondContact O-N 3.5Å; G84-I88 WeakPolarHBondContact O-CB 3.48Å; G84-I88 WeakPolarHBondContact O-CD1 3.29Å; G84-I88 WeakPolarHBondContact O-CG1 3.41Å; G84-I88 PolarHBondContact O-N 3.4Å |
| 85 | H | 95.3 | Very high | 83.8 | Confident | 150 Ų | 150 | 67.5 Ų | 67.5 | 69% | 0.694 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 176 | -68.8 | -68.7 | 0 | 0 | 0 | 111.8 | D83 I88 R89 | D83-H85 PolarHBondContact O-N 2.92Å; D83-H85 IonicContact OD1-CD2 3.56Å; D83-H85 IonicContact OD1-CG 2.81Å; D83-H85 PolarHBondContact OD1-N 3.33Å; H85-I88 PolarHBondContact O-N 2.97Å; H85-R89 WeakPolarHBondContact O-CB 3.15Å; H85-R89 PolarHBondContact O-N 3.21Å |
| 86 | L | 95.4 | Very high | 84.8 | Confident | 36 Ų | 36 | 65.7 Ų | 65.7 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 174.2 | -175.7 | 69.6 | 0 | 0 | 0 | 111.5 | D83 I88 R89 M90 W151 Y292 | D83-L86 HydrophobicContact CB-CB 3.94Å; D83-L86 WeakPolarHBondContact O-CB 3.26Å; D83-L86 PolarHBondContact O-N 2.95Å; D83-L86 VanDerWaalsContact O-N 3.11Å; D83-L86 PolarHBondContact OD2-N 2.62Å; L86-I88 PolarHBondContact O-N 2.88Å; L86-R89 PolarHBondContact O-N 2.96Å; L86-M90 HydrophobicContact CD1-CE 4.14Å; L86-M90 HydrophobicContact CD2-CE 3.94Å; L86-M90 HydrophobicContact CG-CE 3.82Å; L86-M90 HydrophobicContact CG-SD 4.37Å; L86-M90 WeakPolarHBondContact O-CG 3.39Å; L86-M90 PolarHBondContact O-N 3.19Å; L86-W151 HydrophobicContact CD1-CH2 3.63Å; L86-W151 HydrophobicContact CD1-CZ2 3.93Å; L86-Y292 HydrophobicContact CD2-CD2 4.41Å; L86-Y292 HydrophobicContact CD2-CE1 4.36Å; L86-Y292 HydrophobicContact CD2-CE2 3.82Å |
| 87 | A | 96.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I82 D83 G84 M90 F91 F289 F351 L352 | I82-A87 HydrophobicContact CG2-CB 3.95Å; D83-A87 PolarHBondContact O-N 2.9Å; G84-A87 PolarHBondContact O-N 3.5Å; A87-M90 PolarHBondContact O-N 2.86Å; A87-F91 WeakPolarHBondContact O-CB 3.22Å; A87-F91 PolarHBondContact O-N 3.49Å; A87-F289 HydrophobicContact CB-CE1 4.11Å; A87-F289 HydrophobicContact CB-CZ 4.07Å; A87-F351 HydrophobicContact CB-CE1 4.32Å; A87-L352 HydrophobicContact CB-CD2 3.92Å |
| 88 | I | 97.5 | Very high | 88.3 | Confident | 34 Ų | 34 | 52 Ų | 52 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 174.3 | -68 | 163.7 | 0 | 0 | 0 | 110.2 | G84 H85 L86 M90 F91 K92 L352 L357 F358 | G84-I88 WeakPolarHBondContact O-CB 3.48Å; G84-I88 WeakPolarHBondContact O-CD1 3.29Å; G84-I88 WeakPolarHBondContact O-CG1 3.41Å; G84-I88 PolarHBondContact O-N 3.4Å; H85-I88 PolarHBondContact O-N 2.97Å; L86-I88 PolarHBondContact O-N 2.88Å; I88-M90 VanDerWaalsContact C-N 3.34Å; I88-M90 PolarHBondContact O-N 2.81Å; I88-F91 PolarHBondContact O-N 3Å; I88-K92 HydrophobicContact CG2-CD 4.06Å; I88-K92 HydrophobicContact CG2-CG 4.19Å; I88-K92 WeakPolarHBondContact O-CB 3.23Å; I88-K92 VanDerWaalsContact O-CG 3.28Å; I88-K92 WeakPolarHBondContact O-CG 3.33Å; I88-K92 PolarHBondContact O-N 3.39Å; I88-L352 HydrophobicContact CG1-CD2 4.26Å; I88-L357 HydrophobicContact CD1-CB 4.28Å; I88-L357 VanDerWaalsContact CD1-O 3.29Å; I88-L357 WeakPolarHBondContact CD1-O 3.3Å; I88-L357 HydrophobicContact CG1-CB 4.38Å; I88-F358 HydrophobicContact CG2-CD2 4.32Å; I88-F358 HydrophobicContact CG2-CE2 4.36Å |
| 89 | R | 97.8 | Very high | 90.4 | Very high | 119 Ų | 119 | 45.1 Ų | 45.1 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 178.8 | -177.1 | -178.4 | 172.4 | -170.2 | -2 | 111.7 | H85 L86 K92 N93 W151 | H85-R89 WeakPolarHBondContact O-CB 3.15Å; H85-R89 PolarHBondContact O-N 3.21Å; L86-R89 PolarHBondContact O-N 2.96Å; R89-K92 PolarHBondContact O-N 3.03Å; R89-N93 PolarHBondContact O-N 3.08Å; R89-N93 VanDerWaalsContact O-N 3.11Å; R89-N93 PolarHBondContact O-ND2 2.74Å; R89-W151 HydrophobicContact CB-CH2 4.41Å; R89-W151 HydrophobicContact CB-CZ3 4.36Å; R89-W151 HydrophobicContact CG-CE3 4.49Å; R89-W151 HydrophobicContact CG-CH2 3.97Å; R89-W151 HydrophobicContact CG-CZ3 3.74Å; R89-W151 PolarHBondContact NH2-O 3.24Å |
| 90 | M | 98 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.7 | -49.5 | 174.9 | -73.4 | 172.5 | 173.4 | 0 | 0 | 111.1 | L86 A87 I88 K92 N93 M94 I127 A131 W151 I288 Y292 L348 | L86-M90 HydrophobicContact CD1-CE 4.14Å; L86-M90 HydrophobicContact CD2-CE 3.94Å; L86-M90 HydrophobicContact CG-CE 3.82Å; L86-M90 HydrophobicContact CG-SD 4.37Å; L86-M90 WeakPolarHBondContact O-CG 3.39Å; L86-M90 PolarHBondContact O-N 3.19Å; A87-M90 PolarHBondContact O-N 2.86Å; I88-M90 VanDerWaalsContact C-N 3.34Å; I88-M90 PolarHBondContact O-N 2.81Å; M90-K92 PolarHBondContact O-N 2.98Å; M90-N93 PolarHBondContact O-N 3.2Å; M90-M94 WeakPolarHBondContact O-CG 3.39Å; M90-M94 PolarHBondContact O-N 3.49Å; M90-I127 HydrophobicContact CB-CG2 4.07Å; M90-I127 HydrophobicContact CG-CG2 4.08Å; M90-A131 HydrophobicContact CE-CB 3.38Å; M90-W151 HydrophobicContact CB-CZ3 4.47Å; M90-W151 HydrophobicContact CG-CH2 3.99Å; M90-W151 HydrophobicContact CG-CZ3 3.76Å; M90-I288 HydrophobicContact CB-CD1 3.69Å; M90-I288 HydrophobicContact CG-CD1 4.02Å; M90-I288 HydrophobicContact SD-CD1 3.89Å; M90-I288 HydrophobicContact SD-CG1 3.99Å; M90-Y292 HydrophobicContact CE-CD2 3.46Å; M90-Y292 VanDerWaalsContact CE-CD2 3.46Å; M90-Y292 HydrophobicContact CE-CE2 4.11Å; M90-Y292 HydrophobicContact CE-CG 3.96Å; M90-L348 HydrophobicContact CB-CD2 4.24Å |
| 91 | F | 98.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 179.4 | -172 | -120.3 | 0 | 0 | 0 | 112.7 | A87 I88 N93 M94 I95 L345 L348 R349 L352 F358 E363 | A87-F91 WeakPolarHBondContact O-CB 3.22Å; A87-F91 PolarHBondContact O-N 3.49Å; I88-F91 PolarHBondContact O-N 3Å; F91-N93 VanDerWaalsContact C-N 3.29Å; F91-N93 PolarHBondContact O-N 2.74Å; F91-M94 PolarHBondContact O-N 2.97Å; F91-M94 VanDerWaalsContact O-N 3.15Å; F91-I95 HydrophobicContact CD1-CD1 3.78Å; F91-I95 HydrophobicContact CE1-CD1 3.49Å; F91-I95 VanDerWaalsContact CE1-CD1 3.49Å; F91-I95 HydrophobicContact CE1-CG1 4.46Å; F91-I95 HydrophobicContact CE2-CD1 4.4Å; F91-I95 HydrophobicContact CG-CD1 4.36Å; F91-I95 HydrophobicContact CZ-CD1 3.83Å; F91-I95 HydrophobicContact CZ-CG1 4.41Å; F91-I95 WeakPolarHBondContact O-CG1 3.49Å; F91-I95 PolarHBondContact O-N 3.05Å; F91-L345 HydrophobicContact CD2-CD1 3.68Å; F91-L345 HydrophobicContact CE2-CD1 3.38Å; F91-L345 HydrophobicContact CE2-CG 4.07Å; F91-L345 HydrophobicContact CZ-CD1 4.27Å; F91-L348 HydrophobicContact CB-CD2 3.63Å; F91-L348 HydrophobicContact CB-CG 4.14Å; F91-L348 HydrophobicContact CD2-CB 4.17Å; F91-L348 HydrophobicContact CD2-CD2 3.91Å; F91-L348 HydrophobicContact CD2-CG 3.9Å; F91-L348 HydrophobicContact CG-CD2 4.25Å; F91-L348 HydrophobicContact CG-CG 4.39Å; F91-R349 HydrophobicContact CE2-CB 3.68Å; F91-R349 HydrophobicContact CE2-CG 4.44Å; F91-R349 HydrophobicContact CZ-CB 3.72Å; F91-R349 HydrophobicContact CZ-CG 3.98Å; F91-L352 HydrophobicContact CB-CD1 3.45Å; F91-L352 VanDerWaalsContact CB-CD1 3.45Å; F91-L352 HydrophobicContact CD1-CD1 3.49Å; F91-L352 VanDerWaalsContact CD1-CD1 3.49Å; F91-L352 HydrophobicContact CD2-CD1 4.03Å; F91-L352 HydrophobicContact CE1-CD1 4.19Å; F91-L352 HydrophobicContact CG-CD1 3.39Å; F91-F358 AromaticContact CD1-CD1 3.87Å; F91-F358 HydrophobicContact CD1-CD1 3.87Å; F91-F358 AromaticContact CD1-CE1 3.88Å; F91-F358 HydrophobicContact CD1-CE1 3.88Å; F91-F358 HydrophobicContact CD1-CG 4.38Å; F91-F358 HydrophobicContact CD1-CZ 4.45Å; F91-F358 AromaticContact CE1-CD1 3.5Å; F91-F358 HydrophobicContact CE1-CD1 3.5Å; F91-F358 AromaticContact CE1-CE1 3.55Å; F91-F358 HydrophobicContact CE1-CE1 3.55Å; F91-F358 HydrophobicContact CE1-CG 4.38Å; F91-F358 HydrophobicContact CE1-CZ 4.5Å; F91-E363 HydrophobicContact CE1-CG 4.32Å; F91-E363 HydrophobicContact CZ-CG 4.34Å |
| 92 | K | 98.4 | Very high | 95.7 | Very high | 77 Ų | 77 | 37 Ų | 37 | 34% | 0.335 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.5 | -40.9 | 175.7 | -71.1 | -171.5 | 173.3 | 179.4 | 0 | 112.1 | I88 R89 M90 F96 L366 Y370 | I88-K92 HydrophobicContact CG2-CD 4.06Å; I88-K92 HydrophobicContact CG2-CG 4.19Å; I88-K92 WeakPolarHBondContact O-CB 3.23Å; I88-K92 VanDerWaalsContact O-CG 3.28Å; I88-K92 WeakPolarHBondContact O-CG 3.33Å; I88-K92 PolarHBondContact O-N 3.39Å; R89-K92 PolarHBondContact O-N 3.03Å; M90-K92 PolarHBondContact O-N 2.98Å; K92-F96 WeakPolarHBondContact O-CB 3.27Å; K92-F96 PolarHBondContact O-N 3.42Å; K92-L366 HydrophobicContact CB-CD2 4.15Å; K92-L366 HydrophobicContact CD-CD2 4.27Å; K92-L366 HydrophobicContact CG-CD2 3.63Å; K92-Y370 WeakPolarHBondContact O-CE2 3.39Å |
| 93 | N | 98.5 | Very high | 96.9 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.8 | -35.2 | 177.8 | -82.7 | -89.9 | 0 | 0 | 0 | 112.6 | R89 M90 F91 F96 M97 I127 L150 | R89-N93 PolarHBondContact O-N 3.08Å; R89-N93 VanDerWaalsContact O-N 3.11Å; R89-N93 PolarHBondContact O-ND2 2.74Å; M90-N93 PolarHBondContact O-N 3.2Å; F91-N93 VanDerWaalsContact C-N 3.29Å; F91-N93 PolarHBondContact O-N 2.74Å; N93-F96 PolarHBondContact O-N 2.94Å; N93-M97 WeakPolarHBondContact O-CB 3.18Å; N93-M97 PolarHBondContact O-N 3.09Å; N93-I127 HydrophobicContact CB-CD1 3.67Å; N93-I127 HydrophobicContact CB-CG1 4.23Å; N93-I127 HydrophobicContact CB-CG2 4.29Å; N93-L150 PolarHBondContact OD1-O 2.94Å |
| 94 | M | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 175.2 | -64.2 | 170.9 | 72.6 | 0 | 0 | 111.7 | M90 F91 F96 M97 Q98 E123 A124 I127 I288 P344 L345 L348 | M90-M94 WeakPolarHBondContact O-CG 3.39Å; M90-M94 PolarHBondContact O-N 3.49Å; F91-M94 PolarHBondContact O-N 2.97Å; F91-M94 VanDerWaalsContact O-N 3.15Å; M94-F96 VanDerWaalsContact C-N 3.31Å; M94-F96 PolarHBondContact O-N 2.92Å; M94-M97 PolarHBondContact O-N 3.31Å; M94-Q98 PolarHBondContact O-N 3.25Å; M94-E123 HydrophobicContact CB-CB 4.26Å; M94-E123 HydrophobicContact CE-CB 3.82Å; M94-E123 HydrophobicContact CG-CB 3.98Å; M94-A124 HydrophobicContact CE-CB 4.33Å; M94-I127 HydrophobicContact CG-CB 4.45Å; M94-I127 HydrophobicContact CG-CG1 4.16Å; M94-I288 HydrophobicContact SD-CD1 3.69Å; M94-P344 HydrophobicContact CE-CB 3.69Å; M94-P344 HydrophobicContact CE-CG 4.15Å; M94-L345 HydrophobicContact CB-CD1 3.69Å; M94-L345 HydrophobicContact CE-CB 4.04Å; M94-L345 HydrophobicContact CE-CD1 4.35Å; M94-L348 HydrophobicContact SD-CD2 3.81Å |
| 95 | I | 98.2 | Very high | 97.8 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 174.1 | -62.3 | 167.9 | 0 | 0 | 0 | 110.2 | F91 M97 Q98 A99 L345 E363 L366 A367 Y370 | F91-I95 HydrophobicContact CD1-CD1 3.78Å; F91-I95 HydrophobicContact CE1-CD1 3.49Å; F91-I95 VanDerWaalsContact CE1-CD1 3.49Å; F91-I95 HydrophobicContact CE1-CG1 4.46Å; F91-I95 HydrophobicContact CE2-CD1 4.4Å; F91-I95 HydrophobicContact CG-CD1 4.36Å; F91-I95 HydrophobicContact CZ-CD1 3.83Å; F91-I95 HydrophobicContact CZ-CG1 4.41Å; F91-I95 WeakPolarHBondContact O-CG1 3.49Å; F91-I95 PolarHBondContact O-N 3.05Å; I95-M97 PolarHBondContact O-N 3.09Å; I95-Q98 PolarHBondContact O-N 3.35Å; I95-A99 PolarHBondContact O-N 3.27Å; I95-L345 HydrophobicContact CG1-CD1 3.85Å; I95-E363 HydrophobicContact CD1-CG 3.89Å; I95-L366 HydrophobicContact CD1-CD2 4.02Å; I95-A367 HydrophobicContact CG2-CB 3.96Å; I95-Y370 HydrophobicContact CB-CD2 4.49Å; I95-Y370 HydrophobicContact CB-CE2 4.49Å; I95-Y370 HydrophobicContact CG2-CD2 4.02Å; I95-Y370 HydrophobicContact CG2-CE2 4.43Å |
| 96 | F | 98.5 | Very high | 97.9 | Very high | 30 Ų | 30 | 30.1 Ų | 30.1 | 13% | 0.132 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 179.7 | -174 | -149.8 | 0 | 0 | 0 | 111.9 | K92 N93 M94 Q98 A99 I100 L150 L156 Y370 V374 | K92-F96 WeakPolarHBondContact O-CB 3.27Å; K92-F96 PolarHBondContact O-N 3.42Å; N93-F96 PolarHBondContact O-N 2.94Å; M94-F96 VanDerWaalsContact C-N 3.31Å; M94-F96 PolarHBondContact O-N 2.92Å; F96-Q98 VanDerWaalsContact C-N 3.34Å; F96-Q98 PolarHBondContact O-N 3.11Å; F96-A99 WeakPolarHBondContact O-CB 3.4Å; F96-A99 PolarHBondContact O-N 3.43Å; F96-I100 HydrophobicContact CD1-CD1 4.21Å; F96-I100 HydrophobicContact CD2-CD1 4.04Å; F96-I100 HydrophobicContact CD2-CG1 4.12Å; F96-I100 HydrophobicContact CE1-CD1 4.01Å; F96-I100 HydrophobicContact CE2-CD1 3.84Å; F96-I100 HydrophobicContact CE2-CG1 3.91Å; F96-I100 HydrophobicContact CG-CD1 4.23Å; F96-I100 HydrophobicContact CZ-CD1 3.83Å; F96-I100 HydrophobicContact CZ-CG1 4.35Å; F96-I100 WeakPolarHBondContact O-CG1 3.35Å; F96-I100 PolarHBondContact O-N 3.47Å; F96-L150 HydrophobicContact CD1-CD1 4.23Å; F96-L150 HydrophobicContact CD1-CD2 4.1Å; F96-L150 HydrophobicContact CE1-CD2 3.91Å; F96-L156 HydrophobicContact CE2-CD1 4.24Å; F96-L156 HydrophobicContact CE2-CD2 4.08Å; F96-L156 HydrophobicContact CZ-CB 4.05Å; F96-L156 HydrophobicContact CZ-CD1 3.92Å; F96-L156 HydrophobicContact CZ-CD2 3.93Å; F96-L156 HydrophobicContact CZ-CG 4.17Å; F96-Y370 HydrophobicContact CB-CD2 3.72Å; F96-Y370 HydrophobicContact CB-CE2 3.61Å; F96-Y370 HydrophobicContact CB-CG 4.24Å; F96-Y370 AromaticContact CD2-CD1 3.86Å; F96-Y370 HydrophobicContact CD2-CD1 3.86Å; F96-Y370 HydrophobicContact CD2-CD2 4.08Å; F96-Y370 HydrophobicContact CD2-CE1 4.35Å; F96-Y370 AromaticContact CD2-CG 3.71Å; F96-Y370 HydrophobicContact CD2-CG 3.71Å; F96-Y370 HydrophobicContact CE2-CD1 4.3Å; F96-Y370 HydrophobicContact CE2-CG 4.47Å; F96-Y370 HydrophobicContact CG-CD1 4.35Å; F96-Y370 HydrophobicContact CG-CD2 4.25Å; F96-Y370 HydrophobicContact CG-CE1 4.41Å; F96-Y370 HydrophobicContact CG-CE2 4.3Å; F96-Y370 HydrophobicContact CG-CG 4.27Å; F96-V374 HydrophobicContact CE2-CG2 4.07Å |
| 97 | M | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 176.3 | -168.8 | 157.2 | 67.3 | 0 | 0 | 112.2 | N93 M94 I95 A99 I100 D101 N119 E123 I127 L146 L150 | N93-M97 WeakPolarHBondContact O-CB 3.18Å; N93-M97 PolarHBondContact O-N 3.09Å; M94-M97 PolarHBondContact O-N 3.31Å; I95-M97 PolarHBondContact O-N 3.09Å; M97-A99 VanDerWaalsContact C-N 3.33Å; M97-A99 PolarHBondContact O-N 3.39Å; M97-I100 PolarHBondContact O-N 3.46Å; M97-D101 WeakPolarHBondContact O-CB 3.3Å; M97-D101 PolarHBondContact O-N 3.35Å; M97-N119 HydrophobicContact CE-CB 3.98Å; M97-N119 HydrophobicContact CG-CB 4.23Å; M97-N119 HydrophobicContact SD-CB 3.92Å; M97-E123 HydrophobicContact CE-CB 3.28Å; M97-E123 HydrophobicContact CE-CG 3.28Å; M97-I127 HydrophobicContact CE-CG1 4.44Å; M97-L146 HydrophobicContact CG-CD2 4.01Å; M97-L146 HydrophobicContact CG-CG 4.32Å; M97-L146 HydrophobicContact SD-CB 3.99Å; M97-L146 HydrophobicContact SD-CD2 4.47Å; M97-L146 HydrophobicContact SD-CG 4.19Å; M97-L150 HydrophobicContact CB-CD1 3.67Å; M97-L150 HydrophobicContact CG-CD1 4.06Å; M97-L150 HydrophobicContact SD-CD1 4.3Å |
| 98 | Q | 97.1 | Very high | 98.2 | Very high | 76 Ų | 76 | 29.7 Ų | 29.7 | 36% | 0.355 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.7 | -39.8 | 175.7 | -169.5 | 179.6 | 7.6 | 0 | 0 | 111.9 | M94 I95 F96 D101 E102 | M94-Q98 PolarHBondContact O-N 3.25Å; I95-Q98 PolarHBondContact O-N 3.35Å; F96-Q98 VanDerWaalsContact C-N 3.34Å; F96-Q98 PolarHBondContact O-N 3.11Å; Q98-D101 PolarHBondContact O-N 3.41Å; Q98-E102 PolarHBondContact O-N 3.05Å |
| 99 | A | 98.3 | Very high | 98.1 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 5% | 0.05 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | I95 F96 M97 I103 R371 | I95-A99 PolarHBondContact O-N 3.27Å; F96-A99 WeakPolarHBondContact O-CB 3.4Å; F96-A99 PolarHBondContact O-N 3.43Å; M97-A99 VanDerWaalsContact C-N 3.33Å; M97-A99 PolarHBondContact O-N 3.39Å; A99-I103 WeakPolarHBondContact O-CG1 3.31Å; A99-I103 PolarHBondContact O-N 3.42Å; A99-R371 HydrophobicContact CB-CG 4.21Å |
| 100 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.7 | -50.2 | 173.7 | -66.9 | 164.9 | 0 | 0 | 0 | 109.9 | F96 M97 E102 I103 L104 L146 L150 L156 L159 V374 | F96-I100 HydrophobicContact CD1-CD1 4.21Å; F96-I100 HydrophobicContact CD2-CD1 4.04Å; F96-I100 HydrophobicContact CD2-CG1 4.12Å; F96-I100 HydrophobicContact CE1-CD1 4.01Å; F96-I100 HydrophobicContact CE2-CD1 3.84Å; F96-I100 HydrophobicContact CE2-CG1 3.91Å; F96-I100 HydrophobicContact CG-CD1 4.23Å; F96-I100 HydrophobicContact CZ-CD1 3.83Å; F96-I100 HydrophobicContact CZ-CG1 4.35Å; F96-I100 WeakPolarHBondContact O-CG1 3.35Å; F96-I100 PolarHBondContact O-N 3.47Å; M97-I100 PolarHBondContact O-N 3.46Å; I100-E102 PolarHBondContact O-N 3.43Å; I100-I103 PolarHBondContact O-N 3.03Å; I100-L104 HydrophobicContact CG2-CD1 3.65Å; I100-L104 HydrophobicContact CG2-CG 4.21Å; I100-L104 WeakPolarHBondContact O-CB 3.09Å; I100-L104 WeakPolarHBondContact O-CG 3.48Å; I100-L104 PolarHBondContact O-N 3.42Å; I100-L146 HydrophobicContact CB-CD2 4.5Å; I100-L146 HydrophobicContact CD1-CD2 4.4Å; I100-L146 HydrophobicContact CG2-CD2 4.02Å; I100-L150 HydrophobicContact CD1-CD1 4.04Å; I100-L150 HydrophobicContact CD1-CD2 3.7Å; I100-L156 HydrophobicContact CD1-CD1 4.04Å; I100-L156 HydrophobicContact CG1-CD1 3.95Å; I100-L159 HydrophobicContact CD1-CD1 4.11Å; I100-L159 HydrophobicContact CG2-CD1 4.38Å; I100-L159 HydrophobicContact CG2-CD2 4.16Å; I100-V374 HydrophobicContact CB-CG2 4.46Å; I100-V374 HydrophobicContact CG1-CG2 3.67Å |
| 101 | D | 98.2 | Very high | 98 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | -176.6 | -80.9 | -14.1 | 0 | 0 | 0 | 112.5 | M97 Q98 Y105 Y116 T118 N119 | M97-D101 WeakPolarHBondContact O-CB 3.3Å; M97-D101 PolarHBondContact O-N 3.35Å; Q98-D101 PolarHBondContact O-N 3.41Å; D101-Y105 WeakPolarHBondContact O-CB 3.28Å; D101-Y105 PolarHBondContact O-N 3.04Å; D101-Y116 HydrophobicContact CB-CE1 4.39Å; D101-Y116 WeakPolarHBondContact OD1-CE1 3.49Å; D101-Y116 PolarHBondContact OD1-OH 2.8Å; D101-T118 HydrophobicContact CB-CG2 4.04Å; D101-N119 PolarHBondContact OD1-ND2 2.99Å; D101-N119 WeakPolarHBondContact OD2-CB 3.23Å; D101-N119 PolarHBondContact OD2-N 2.93Å; D101-N119 PolarHBondContact OD2-ND2 3.46Å; D101-N119 VanDerWaalsContact OD2-ND2 3.1Å |
| 102 | E | 97.8 | Very high | 97.9 | Very high | 79 Ų | 79 | 42.4 Ų | 42.4 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 179.2 | -170.6 | -169.8 | 137.4 | 0 | 0 | 111.9 | Q98 I100 N106 R371 | Q98-E102 PolarHBondContact O-N 3.05Å; I100-E102 PolarHBondContact O-N 3.43Å; E102-N106 WeakPolarHBondContact O-CB 3.42Å; E102-N106 VanDerWaalsContact O-CG 3.29Å; E102-N106 PolarHBondContact O-N 2.95Å; E102-N106 VanDerWaalsContact O-N 3.12Å; E102-N106 PolarHBondContact O-ND2 2.83Å; E102-R371 IonicContact OE1-CZ 2.79Å; E102-R371 VanDerWaalsContact OE1-CZ 3.25Å; E102-R371 IonicContact OE1-NH1 2.69Å; E102-R371 PolarHBondContact OE1-NH1 2.85Å; E102-R371 IonicContact OE1-NH2 3.42Å; E102-R371 PolarHBondContact OE1-NH2 2.96Å; E102-R371 IonicContact OE2-CZ 3.86Å; E102-R371 IonicContact OE2-NH1 2.75Å; E102-R371 PolarHBondContact OE2-NH1 3.14Å |
| 103 | I | 98.5 | Very high | 97.9 | Very high | 20 Ų | 20 | 39 Ų | 39 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.1 | -45.5 | -176.2 | -62.6 | -61.6 | 0 | 0 | 0 | 111.1 | A99 I100 N106 A107 V374 I375 L378 | A99-I103 WeakPolarHBondContact O-CG1 3.31Å; A99-I103 PolarHBondContact O-N 3.42Å; I100-I103 PolarHBondContact O-N 3.03Å; I103-N106 PolarHBondContact O-N 3.41Å; I103-A107 WeakPolarHBondContact O-CB 3.49Å; I103-A107 PolarHBondContact O-N 2.95Å; I103-V374 HydrophobicContact CB-CB 4.37Å; I103-V374 HydrophobicContact CB-CG1 3.69Å; I103-V374 HydrophobicContact CG1-CB 4.29Å; I103-V374 HydrophobicContact CG1-CG1 4.17Å; I103-V374 HydrophobicContact CG2-CB 4.44Å; I103-V374 HydrophobicContact CG2-CG1 3.68Å; I103-I375 HydrophobicContact CD1-CD1 4.02Å; I103-I375 HydrophobicContact CD1-CG1 3.85Å; I103-I375 HydrophobicContact CG1-CG1 4.31Å; I103-I375 HydrophobicContact CG2-CG1 4.2Å; I103-L378 HydrophobicContact CG2-CD2 4.22Å |
| 104 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.5 | -34.5 | -178.5 | -65 | -174.4 | 0 | 0 | 0 | 112.5 | I100 N106 A107 Q108 I113 Y116 L159 V160 L378 | I100-L104 HydrophobicContact CG2-CD1 3.65Å; I100-L104 HydrophobicContact CG2-CG 4.21Å; I100-L104 WeakPolarHBondContact O-CB 3.09Å; I100-L104 WeakPolarHBondContact O-CG 3.48Å; I100-L104 PolarHBondContact O-N 3.42Å; L104-N106 PolarHBondContact O-N 3.29Å; L104-A107 PolarHBondContact O-N 3.29Å; L104-Q108 PolarHBondContact O-N 3.03Å; L104-I113 HydrophobicContact CB-CD1 4.23Å; L104-I113 WeakPolarHBondContact O-CD1 3.44Å; L104-Y116 HydrophobicContact CB-CD1 4.13Å; L104-Y116 HydrophobicContact CB-CD2 3.75Å; L104-Y116 HydrophobicContact CB-CE1 3.9Å; L104-Y116 HydrophobicContact CB-CE2 3.46Å; L104-Y116 VanDerWaalsContact CB-CE2 3.46Å; L104-Y116 HydrophobicContact CB-CG 4.08Å; L104-Y116 HydrophobicContact CD1-CD2 4.28Å; L104-Y116 HydrophobicContact CD1-CE2 3.43Å; L104-Y116 VanDerWaalsContact CD1-CE2 3.43Å; L104-Y116 HydrophobicContact CG-CE2 4.09Å; L104-L159 HydrophobicContact CD1-CD2 3.69Å; L104-V160 HydrophobicContact CD2-CG1 4.35Å; L104-V160 HydrophobicContact CD2-CG2 4.39Å; L104-L378 HydrophobicContact CD2-CD1 4.32Å |
| 105 | Y | 98.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 19% | 0.192 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 170.8 | -176 | -91.7 | 0 | 0 | 0 | 111.1 | D101 Q108 R109 T118 H319 T322 | D101-Y105 WeakPolarHBondContact O-CB 3.28Å; D101-Y105 PolarHBondContact O-N 3.04Å; Y105-Q108 WeakPolarHBondContact O-CB 3.29Å; Y105-Q108 PolarHBondContact O-N 3.06Å; Y105-R109 HydrophobicContact CD1-CG 4.24Å; Y105-R109 HydrophobicContact CE1-CG 3.95Å; Y105-R109 WeakPolarHBondContact O-CG 3.4Å; Y105-R109 PolarHBondContact O-N 3.46Å; Y105-T118 HydrophobicContact CD2-CG2 3.81Å; Y105-T118 HydrophobicContact CG-CG2 4.24Å; Y105-H319 PolarHBondContact OH-CD2 2.86Å; Y105-T322 HydrophobicContact CD2-CG2 3.61Å; Y105-T322 HydrophobicContact CE2-CG2 3.6Å; Y105-T322 HydrophobicContact CG-CG2 4.49Å |
| 106 | N | 97.9 | Very high | 97.9 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 176.1 | -74.9 | -32.7 | 0 | 0 | 0 | 112.7 | E102 I103 L104 Q108 R109 Q110 | E102-N106 WeakPolarHBondContact O-CB 3.42Å; E102-N106 VanDerWaalsContact O-CG 3.29Å; E102-N106 PolarHBondContact O-N 2.95Å; E102-N106 VanDerWaalsContact O-N 3.12Å; E102-N106 PolarHBondContact O-ND2 2.83Å; I103-N106 PolarHBondContact O-N 3.41Å; L104-N106 PolarHBondContact O-N 3.29Å; N106-Q108 VanDerWaalsContact C-N 3.26Å; N106-Q108 PolarHBondContact O-N 3.46Å; N106-R109 PolarHBondContact O-N 2.85Å; N106-Q110 WeakPolarHBondContact O-CG 3.44Å; N106-Q110 PolarHBondContact O-N 3.45Å; N106-Q110 VanDerWaalsContact O-N 3.1Å |
| 107 | A | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I103 L104 Q110 G111 R112 I113 L378 | I103-A107 WeakPolarHBondContact O-CB 3.49Å; I103-A107 PolarHBondContact O-N 2.95Å; L104-A107 PolarHBondContact O-N 3.29Å; A107-Q110 PolarHBondContact O-N 2.87Å; A107-G111 PolarHBondContact O-N 2.82Å; A107-R112 HydrophobicContact CB-CB 4.36Å; A107-R112 WeakPolarHBondContact O-CB 3.28Å; A107-R112 PolarHBondContact O-N 3.32Å; A107-I113 HydrophobicContact CB-CG1 4.45Å; A107-L378 HydrophobicContact CB-CD2 3.72Å |
| 108 | Q | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -43.5 | 174.3 | -166.4 | -72.8 | -27.6 | 0 | 0 | 111.4 | L104 Y105 N106 Q110 G111 I113 S114 T322 | L104-Q108 PolarHBondContact O-N 3.03Å; Y105-Q108 WeakPolarHBondContact O-CB 3.29Å; Y105-Q108 PolarHBondContact O-N 3.06Å; N106-Q108 VanDerWaalsContact C-N 3.26Å; N106-Q108 PolarHBondContact O-N 3.46Å; Q108-Q110 PolarHBondContact O-N 3.39Å; Q108-Q110 VanDerWaalsContact O-N 3.17Å; Q108-G111 WeakPolarHBondContact O-CA 3.3Å; Q108-G111 PolarHBondContact O-N 3.31Å; Q108-I113 HydrophobicContact CB-CD1 4.07Å; Q108-I113 HydrophobicContact CB-CG1 3.62Å; Q108-I113 HydrophobicContact CG-CG1 4.11Å; Q108-S114 PolarHBondContact NE2-O 2.88Å; Q108-T322 HydrophobicContact CB-CG2 3.91Å; Q108-T322 HydrophobicContact CG-CG2 3.69Å |
| 109 | R | 97 | Very high | 97.9 | Very high | 132 Ų | 132 | 40 Ų | 40 | 50% | 0.498 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.9 | -25.7 | 176.2 | -64.8 | -67.5 | 82.3 | 175 | -4 | 112.9 | Y105 N106 G111 T322 | Y105-R109 HydrophobicContact CD1-CG 4.24Å; Y105-R109 HydrophobicContact CE1-CG 3.95Å; Y105-R109 WeakPolarHBondContact O-CG 3.4Å; Y105-R109 PolarHBondContact O-N 3.46Å; N106-R109 PolarHBondContact O-N 2.85Å; R109-G111 VanDerWaalsContact C-N 3.34Å; R109-T322 VanDerWaalsContact CZ-O 3.28Å; R109-T322 PolarHBondContact NH1-O 2.88Å; R109-T322 PolarHBondContact NH2-O 3.04Å |
| 110 | Q | 97.2 | Very high | 97.7 | Very high | 124 Ų | 124 | 42.5 Ų | 42.5 | 58% | 0.579 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -0.4 | 174.1 | -65.5 | 169.8 | 10.5 | 0 | 0 | 113.5 | N106 A107 Q108 R112 | N106-Q110 WeakPolarHBondContact O-CG 3.44Å; N106-Q110 PolarHBondContact O-N 3.45Å; N106-Q110 VanDerWaalsContact O-N 3.1Å; A107-Q110 PolarHBondContact O-N 2.87Å; Q108-Q110 PolarHBondContact O-N 3.39Å; Q108-Q110 VanDerWaalsContact O-N 3.17Å; Q110-R112 VanDerWaalsContact C-N 3.26Å; Q110-R112 HydrophobicContact CB-CG 3.99Å; Q110-R112 PolarHBondContact O-N 3.42Å; Q110-R112 VanDerWaalsContact OE1-NH1 3.11Å |
| 111 | G | 96.3 | Very high | 97.6 | Very high | 64 Ų | 64 | 42.6 Ų | 42.6 | 66% | 0.66 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | 13 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A107 Q108 R109 | A107-G111 PolarHBondContact O-N 2.82Å; Q108-G111 WeakPolarHBondContact O-CA 3.3Å; Q108-G111 PolarHBondContact O-N 3.31Å; R109-G111 VanDerWaalsContact C-N 3.34Å |
| 112 | R | 96.6 | Very high | 97.5 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -77.3 | -28.9 | -177.7 | -63.7 | 165.7 | 67.1 | -177.7 | 0 | 112.5 | A107 Q110 E382 | A107-R112 HydrophobicContact CB-CB 4.36Å; A107-R112 WeakPolarHBondContact O-CB 3.28Å; A107-R112 PolarHBondContact O-N 3.32Å; Q110-R112 VanDerWaalsContact C-N 3.26Å; Q110-R112 HydrophobicContact CB-CG 3.99Å; Q110-R112 PolarHBondContact O-N 3.42Å; Q110-R112 VanDerWaalsContact OE1-NH1 3.11Å; R112-E382 WeakPolarHBondContact CB-OE1 3.48Å; R112-E382 IonicContact CZ-OE1 3.18Å; R112-E382 IonicContact CZ-OE2 2.64Å; R112-E382 IonicContact NE-OE1 3.77Å; R112-E382 PolarHBondContact NE-OE1 3.14Å; R112-E382 IonicContact NE-OE2 3.15Å; R112-E382 IonicContact NH2-OE1 2.87Å; R112-E382 PolarHBondContact NH2-OE1 3.44Å; R112-E382 IonicContact NH2-OE2 2.74Å; R112-E382 PolarHBondContact NH2-OE2 2.93Å |
| 113 | I | 97.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -126.3 | 156 | 165.9 | 63.7 | 175.3 | 0 | 0 | 0 | 108.7 | L104 A107 Q108 Y116 C163 V164 | L104-I113 HydrophobicContact CB-CD1 4.23Å; L104-I113 WeakPolarHBondContact O-CD1 3.44Å; A107-I113 HydrophobicContact CB-CG1 4.45Å; Q108-I113 HydrophobicContact CB-CD1 4.07Å; Q108-I113 HydrophobicContact CB-CG1 3.62Å; Q108-I113 HydrophobicContact CG-CG1 4.11Å; I113-Y116 HydrophobicContact CD1-CD2 3.99Å; I113-Y116 HydrophobicContact CD1-CG 4.34Å; I113-C163 HydrophobicContact CD1-CB 4.33Å; I113-C163 HydrophobicContact CG2-CB 4.38Å; I113-V164 HydrophobicContact CG2-CG2 3.94Å |
| 114 | S | 97.5 | Very high | 97.5 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 64% | 0.636 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -80.7 | -31.8 | -170.7 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | Q108 P177 | Q108-S114 PolarHBondContact NE2-O 2.88Å; S114-P177 WeakPolarHBondContact OG-CD 3.45Å; S114-P177 VanDerWaalsContact OG-CG 3.31Å; S114-P177 WeakPolarHBondContact OG-CG 3.24Å |
| 115 | F | 98.5 | Very high | 97.5 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | trans | -152.2 | 152.5 | -173.3 | -179.7 | -104.5 | 0 | 0 | 0 | 110.6 | M117 M176 P177 S321 | F115-M117 HydrophobicContact CD1-CG 4.46Å; F115-M117 HydrophobicContact CE1-CG 3.42Å; F115-M117 VanDerWaalsContact CE1-CG 3.42Å; F115-M117 HydrophobicContact CE1-SD 3.66Å; F115-M117 HydrophobicContact CZ-CG 3.45Å; F115-M117 VanDerWaalsContact CZ-CG 3.45Å; F115-M117 HydrophobicContact CZ-SD 3.67Å; F115-M176 HydrophobicContact CB-CG 4Å; F115-M176 HydrophobicContact CB-SD 4.2Å; F115-M176 HydrophobicContact CD1-CG 3.82Å; F115-M176 HydrophobicContact CD1-SD 3.57Å; F115-M176 VanDerWaalsContact CD1-SD 3.57Å; F115-M176 HydrophobicContact CD2-SD 4.26Å; F115-M176 HydrophobicContact CE1-SD 3.88Å; F115-M176 HydrophobicContact CG-CG 4.08Å; F115-M176 HydrophobicContact CG-SD 3.76Å; F115-M176 HydrophobicContact CZ-SD 4.36Å; F115-P177 HydrophobicContact CB-CB 4.4Å; F115-P177 HydrophobicContact CB-CG 4.29Å; F115-P177 WeakPolarHBondContact O-CB 3.37Å; F115-S321 VanDerWaalsContact CE2-CB 3.45Å | ||
| 116 | Y | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | trans | -156.6 | 154.7 | 170.5 | -159.1 | -105.4 | 0 | 0 | 0 | 112 | D101 L104 I113 T118 V178 T322 | D101-Y116 HydrophobicContact CB-CE1 4.39Å; D101-Y116 WeakPolarHBondContact OD1-CE1 3.49Å; D101-Y116 PolarHBondContact OD1-OH 2.8Å; L104-Y116 HydrophobicContact CB-CD1 4.13Å; L104-Y116 HydrophobicContact CB-CD2 3.75Å; L104-Y116 HydrophobicContact CB-CE1 3.9Å; L104-Y116 HydrophobicContact CB-CE2 3.46Å; L104-Y116 VanDerWaalsContact CB-CE2 3.46Å; L104-Y116 HydrophobicContact CB-CG 4.08Å; L104-Y116 HydrophobicContact CD1-CD2 4.28Å; L104-Y116 HydrophobicContact CD1-CE2 3.43Å; L104-Y116 VanDerWaalsContact CD1-CE2 3.43Å; L104-Y116 HydrophobicContact CG-CE2 4.09Å; I113-Y116 HydrophobicContact CD1-CD2 3.99Å; I113-Y116 HydrophobicContact CD1-CG 4.34Å; Y116-T118 HydrophobicContact CD1-CG2 4.31Å; Y116-T118 HydrophobicContact CE1-CG2 4.27Å; Y116-V178 HydrophobicContact CD2-CG2 3.56Å; Y116-V178 HydrophobicContact CE2-CG2 3.76Å; Y116-V178 HydrophobicContact CG-CG2 4.3Å; Y116-T322 PolarHBondContact N-OG1 3.49Å; Y116-T322 VanDerWaalsContact N-OG1 3.08Å; Y116-T322 WeakPolarHBondContact O-CG2 3.5Å; Y116-T322 PolarHBondContact O-N 3.01Å; Y116-T322 PolarHBondContact O-OG1 2.86Å | ||
| 117 | M | 97.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 32 Ų | 32 | 3% | 0.034 | 17% | 0.17 | C | C | . | . | trans | -135 | 131.5 | 175.4 | -60.8 | -179 | 81 | 0 | 0 | 109.2 | F115 Y143 H320 | F115-M117 HydrophobicContact CD1-CG 4.46Å; F115-M117 HydrophobicContact CE1-CG 3.42Å; F115-M117 VanDerWaalsContact CE1-CG 3.42Å; F115-M117 HydrophobicContact CE1-SD 3.66Å; F115-M117 HydrophobicContact CZ-CG 3.45Å; F115-M117 VanDerWaalsContact CZ-CG 3.45Å; F115-M117 HydrophobicContact CZ-SD 3.67Å; M117-Y143 HydrophobicContact CE-CD1 4.49Å; M117-Y143 HydrophobicContact CE-CD2 3.26Å; M117-Y143 HydrophobicContact CE-CE2 3.36Å; M117-Y143 HydrophobicContact CE-CG 3.93Å; M117-Y143 HydrophobicContact SD-CD2 3.65Å; M117-Y143 HydrophobicContact SD-CE2 4.34Å; M117-Y143 HydrophobicContact SD-CG 3.82Å; M117-H320 WeakPolarHBondContact CE-O 3.25Å | ||
| 118 | T | 97.6 | Very high | 97.5 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | trans | -92.1 | 160.6 | 179.4 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | D101 Y105 Y116 R144 | D101-T118 HydrophobicContact CB-CG2 4.04Å; Y105-T118 HydrophobicContact CD2-CG2 3.81Å; Y105-T118 HydrophobicContact CG-CG2 4.24Å; Y116-T118 HydrophobicContact CD1-CG2 4.31Å; Y116-T118 HydrophobicContact CE1-CG2 4.27Å; T118-R144 PolarHBondContact O-NH1 2.94Å | ||
| 119 | N | 97.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | trans | -108.9 | 11.1 | -177.6 | -53.9 | -87.1 | 0 | 0 | 0 | 111.8 | M97 D101 G121 E122 R144 | M97-N119 HydrophobicContact CE-CB 3.98Å; M97-N119 HydrophobicContact CG-CB 4.23Å; M97-N119 HydrophobicContact SD-CB 3.92Å; D101-N119 PolarHBondContact OD1-ND2 2.99Å; D101-N119 WeakPolarHBondContact OD2-CB 3.23Å; D101-N119 PolarHBondContact OD2-N 2.93Å; D101-N119 PolarHBondContact OD2-ND2 3.46Å; D101-N119 VanDerWaalsContact OD2-ND2 3.1Å; N119-G121 PolarHBondContact O-N 3.5Å; N119-E122 PolarHBondContact O-N 3.19Å; N119-R144 WeakPolarHBondContact OD1-CA 3.25Å; N119-R144 PolarHBondContact OD1-O 3.36Å | ||
| 120 | L | 95 | Very high | 97.6 | Very high | 60 Ų | 60 | 24.5 Ų | 24.5 | 31% | 0.314 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 121.3 | -171.9 | -168.3 | 72.5 | 0 | 0 | 0 | 111.8 | E123 L317 | L120-E123 WeakPolarHBondContact CA-OE1 3.49Å; L120-L317 HydrophobicContact CB-CB 4.22Å; L120-L317 HydrophobicContact CD2-CB 3.7Å; L120-L317 HydrophobicContact CG-CB 3.72Å; L120-L317 HydrophobicContact CG-CD1 4.08Å; L120-L317 WeakPolarHBondContact O-CB 3.38Å; L120-L317 PolarHBondContact O-N 3.46Å |
| 121 | G | 95.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -18.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N119 E123 N286 T314 | N119-G121 PolarHBondContact O-N 3.5Å; G121-E123 WeakPolarHBondContact CA-OE2 3.33Å; G121-E123 VanDerWaalsContact N-CD 3.32Å; G121-E123 PolarHBondContact N-OE1 3.32Å; G121-E123 PolarHBondContact N-OE2 2.9Å; G121-N286 PolarHBondContact O-OD1 3.02Å; G121-T314 PolarHBondContact O-OG1 3.37Å |
| 122 | E | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | trans | -110.7 | 13.5 | -174.9 | -52.7 | -164.7 | -122.2 | 0 | 0 | 112.6 | N119 A124 C125 T126 R144 R250 N252 T314 | N119-E122 PolarHBondContact O-N 3.19Å; E122-A124 PolarHBondContact O-N 2.86Å; E122-C125 WeakPolarHBondContact O-CB 3.35Å; E122-C125 PolarHBondContact O-N 3.48Å; E122-T126 PolarHBondContact O-N 3.32Å; E122-T126 PolarHBondContact O-OG1 2.85Å; E122-R144 WeakPolarHBondContact OE1-CD 3.13Å; E122-R144 IonicContact OE1-NE 3.61Å; E122-R250 IonicContact OE1-NH1 3.92Å; E122-R250 PolarHBondContact OE1-NH1 3.28Å; E122-R250 WeakPolarHBondContact OE2-CB 3.41Å; E122-R250 VanDerWaalsContact OE2-CD 3.26Å; E122-R250 WeakPolarHBondContact OE2-CD 3.44Å; E122-R250 IonicContact OE2-CZ 3.52Å; E122-R250 IonicContact OE2-NE 3.04Å; E122-R250 IonicContact OE2-NH1 3.59Å; E122-R250 PolarHBondContact OE2-NH1 3.39Å; E122-N252 PolarHBondContact OE1-ND2 3.27Å; E122-T314 HydrophobicContact CG-CG2 3.93Å | ||
| 123 | E | 97.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 12 Ų | 12 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.8 | -40.9 | -172.8 | -52.1 | 91.6 | 150.9 | 0 | 0 | 112.1 | M94 M97 L120 G121 C125 T126 I127 P344 | M94-E123 HydrophobicContact CB-CB 4.26Å; M94-E123 HydrophobicContact CE-CB 3.82Å; M94-E123 HydrophobicContact CG-CB 3.98Å; M97-E123 HydrophobicContact CE-CB 3.28Å; M97-E123 HydrophobicContact CE-CG 3.28Å; L120-E123 WeakPolarHBondContact CA-OE1 3.49Å; G121-E123 WeakPolarHBondContact CA-OE2 3.33Å; G121-E123 VanDerWaalsContact N-CD 3.32Å; G121-E123 PolarHBondContact N-OE1 3.32Å; G121-E123 PolarHBondContact N-OE2 2.9Å; E123-C125 VanDerWaalsContact C-N 3.34Å; E123-C125 PolarHBondContact O-N 3.48Å; E123-T126 PolarHBondContact O-N 2.81Å; E123-T126 PolarHBondContact O-OG1 2.83Å; E123-I127 WeakPolarHBondContact O-CB 3.29Å; E123-I127 WeakPolarHBondContact O-CG1 3.45Å; E123-I127 PolarHBondContact O-N 2.89Å; E123-P344 WeakPolarHBondContact OE2-CG 3.38Å |
| 124 | A | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M94 E122 T126 G128 G285 I288 P344 | M94-A124 HydrophobicContact CE-CB 4.33Å; E122-A124 PolarHBondContact O-N 2.86Å; A124-T126 VanDerWaalsContact C-N 3.33Å; A124-T126 PolarHBondContact O-N 3.01Å; A124-G128 WeakPolarHBondContact O-CA 3.49Å; A124-G128 PolarHBondContact O-N 2.83Å; A124-G285 WeakPolarHBondContact CB-O 3.39Å; A124-I288 HydrophobicContact CB-CB 3.78Å; A124-I288 HydrophobicContact CB-CD1 4.44Å; A124-I288 HydrophobicContact CB-CG1 4.16Å; A124-P344 HydrophobicContact CB-CB 3.49Å; A124-P344 VanDerWaalsContact CB-CB 3.49Å; A124-P344 HydrophobicContact CB-CG 4.45Å |
| 125 | C | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 177.3 | -74.3 | 0 | 0 | 0 | 0 | 111.2 | E122 E123 S129 F248 R250 G285 | E122-C125 WeakPolarHBondContact O-CB 3.35Å; E122-C125 PolarHBondContact O-N 3.48Å; E123-C125 VanDerWaalsContact C-N 3.34Å; E123-C125 PolarHBondContact O-N 3.48Å; C125-S129 VanDerWaalsContact O-CB 3.23Å; C125-S129 WeakPolarHBondContact O-CB 3.2Å; C125-S129 PolarHBondContact O-N 2.72Å; C125-S129 PolarHBondContact O-OG 3.19Å; C125-F248 HydrophobicContact CB-CE1 4.05Å; C125-F248 HydrophobicContact CB-CZ 4.3Å; C125-R250 HydrophobicContact CB-CG 4.4Å; C125-G285 VanDerWaalsContact SG-CA 3.52Å; C125-G285 PolarHBondContact SG-O 3.02Å |
| 126 | T | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -84.4 | -41.6 | -171.7 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | E122 E123 A124 S129 A130 R144 | E122-T126 PolarHBondContact O-N 3.32Å; E122-T126 PolarHBondContact O-OG1 2.85Å; E123-T126 PolarHBondContact O-N 2.81Å; E123-T126 PolarHBondContact O-OG1 2.83Å; A124-T126 VanDerWaalsContact C-N 3.33Å; A124-T126 PolarHBondContact O-N 3.01Å; T126-S129 PolarHBondContact O-OG 2.92Å; T126-A130 WeakPolarHBondContact O-CB 3.48Å; T126-A130 PolarHBondContact O-N 3.33Å; T126-R144 VanDerWaalsContact CG2-O 3.29Å; T126-R144 WeakPolarHBondContact CG2-O 3.44Å |
| 127 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -72.5 | -46 | 176.4 | -63.5 | -61 | 0 | 0 | 0 | 111.6 | M90 N93 M94 M97 E123 S129 A130 A131 G147 W151 I288 | M90-I127 HydrophobicContact CB-CG2 4.07Å; M90-I127 HydrophobicContact CG-CG2 4.08Å; N93-I127 HydrophobicContact CB-CD1 3.67Å; N93-I127 HydrophobicContact CB-CG1 4.23Å; N93-I127 HydrophobicContact CB-CG2 4.29Å; M94-I127 HydrophobicContact CG-CB 4.45Å; M94-I127 HydrophobicContact CG-CG1 4.16Å; M97-I127 HydrophobicContact CE-CG1 4.44Å; E123-I127 WeakPolarHBondContact O-CB 3.29Å; E123-I127 WeakPolarHBondContact O-CG1 3.45Å; E123-I127 PolarHBondContact O-N 2.89Å; I127-S129 VanDerWaalsContact C-N 3.33Å; I127-S129 PolarHBondContact O-N 3.09Å; I127-A130 PolarHBondContact O-N 2.81Å; I127-A131 WeakPolarHBondContact O-CB 3.46Å; I127-A131 PolarHBondContact O-N 3.23Å; I127-G147 WeakPolarHBondContact CD1-O 3.46Å; I127-W151 HydrophobicContact CG2-CE3 3.95Å; I127-W151 HydrophobicContact CG2-CZ3 4.17Å; I127-I288 HydrophobicContact CB-CD1 4.43Å; I127-I288 HydrophobicContact CG2-CD1 4.17Å |
| 128 | G | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A124 A132 | A124-G128 WeakPolarHBondContact O-CA 3.49Å; A124-G128 PolarHBondContact O-N 2.83Å; G128-A132 PolarHBondContact O-N 3.33Å |
| 129 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.4 | -43.6 | 178.1 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | C125 T126 I127 A131 A132 Y220 I291 | C125-S129 VanDerWaalsContact O-CB 3.23Å; C125-S129 WeakPolarHBondContact O-CB 3.2Å; C125-S129 PolarHBondContact O-N 2.72Å; C125-S129 PolarHBondContact O-OG 3.19Å; T126-S129 PolarHBondContact O-OG 2.92Å; I127-S129 VanDerWaalsContact C-N 3.33Å; I127-S129 PolarHBondContact O-N 3.09Å; S129-A131 VanDerWaalsContact C-N 3.26Å; S129-A131 PolarHBondContact O-N 3.43Å; S129-A132 PolarHBondContact O-N 2.68Å; S129-Y220 WeakPolarHBondContact CB-OH 3.41Å; S129-Y220 WeakPolarHBondContact OG-CE1 3.33Å; S129-Y220 PolarHBondContact OG-OH 3.24Å; S129-I291 VanDerWaalsContact N-CG2 3.33Å |
| 130 | A | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.9 | -36.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T126 I127 A132 L133 P148 W151 | T126-A130 WeakPolarHBondContact O-CB 3.48Å; T126-A130 PolarHBondContact O-N 3.33Å; I127-A130 PolarHBondContact O-N 2.81Å; A130-A132 VanDerWaalsContact C-N 3.26Å; A130-A132 PolarHBondContact O-N 3.25Å; A130-L133 PolarHBondContact O-N 3.08Å; A130-P148 HydrophobicContact CB-CB 3.87Å; A130-P148 HydrophobicContact CB-CG 4.03Å; A130-W151 HydrophobicContact CB-CB 3.85Å; A130-W151 HydrophobicContact CB-CG 3.93Å |
| 131 | A | 97.7 | Very high | 98 | Very high | 12 Ų | 12 | 17.9 Ų | 17.9 | 10% | 0.099 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.5 | -27.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M90 I127 S129 W151 Y292 | M90-A131 HydrophobicContact CE-CB 3.38Å; I127-A131 WeakPolarHBondContact O-CB 3.46Å; I127-A131 PolarHBondContact O-N 3.23Å; S129-A131 VanDerWaalsContact C-N 3.26Å; S129-A131 PolarHBondContact O-N 3.43Å; A131-W151 VanDerWaalsContact CA-CZ2 3.5Å; A131-W151 HydrophobicContact CB-CD2 4.08Å; A131-W151 HydrophobicContact CB-CE3 4.28Å; A131-W151 HydrophobicContact CB-CH2 3.5Å; A131-W151 HydrophobicContact CB-CZ2 3.28Å; A131-W151 HydrophobicContact CB-CZ3 4.02Å; A131-Y292 HydrophobicContact CB-CD2 3.86Å; A131-Y292 HydrophobicContact CB-CE2 4.12Å; A131-Y292 WeakPolarHBondContact O-CE2 3.23Å |
| 132 | A | 97.2 | Very high | 98.1 | Very high | 5 Ų | 5 | 18 Ų | 18 | 4% | 0.041 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -7.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G128 S129 A130 Y292 V295 E296 | G128-A132 PolarHBondContact O-N 3.33Å; S129-A132 PolarHBondContact O-N 2.68Å; A130-A132 VanDerWaalsContact C-N 3.26Å; A130-A132 PolarHBondContact O-N 3.25Å; A132-Y292 HydrophobicContact CB-CD2 3.76Å; A132-Y292 HydrophobicContact CB-CE2 4.02Å; A132-Y292 HydrophobicContact CB-CG 4.3Å; A132-Y292 WeakPolarHBondContact CB-O 3.38Å; A132-V295 HydrophobicContact CB-CB 3.73Å; A132-V295 HydrophobicContact CB-CG1 3.72Å; A132-E296 HydrophobicContact CB-CB 4.11Å |
| 133 | L | 98.1 | Very high | 98.1 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 6% | 0.058 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -90.1 | 160.4 | 177 | -66 | 179.5 | 0 | 0 | 0 | 111.7 | A130 D137 I139 V216 L218 I246 V295 | A130-L133 PolarHBondContact O-N 3.08Å; L133-D137 HydrophobicContact CB-CB 4.24Å; L133-D137 HydrophobicContact CD1-CB 4.47Å; L133-D137 HydrophobicContact CD2-CB 4.26Å; L133-I139 HydrophobicContact CD1-CD1 3.93Å; L133-I139 HydrophobicContact CD1-CG1 3.98Å; L133-V216 HydrophobicContact CD2-CG2 4.1Å; L133-L218 HydrophobicContact CD1-CB 3.91Å; L133-L218 HydrophobicContact CD1-CD1 3.95Å; L133-L218 HydrophobicContact CD1-CG 4.41Å; L133-L218 HydrophobicContact CD2-CB 4.38Å; L133-L218 HydrophobicContact CD2-CD1 4.06Å; L133-L218 HydrophobicContact CG-CD1 4.28Å; L133-I246 HydrophobicContact CD2-CD1 4.44Å; L133-V295 HydrophobicContact CD2-CG1 4.04Å; L133-V295 HydrophobicContact CG-CG1 4.33Å |
| 134 | Q | 97.7 | Very high | 98.1 | Very high | 99 Ų | 99 | 19.9 Ų | 19.9 | 46% | 0.463 | 10% | 0.099 | S | C | . | . | trans | -83.8 | 161.2 | 164.7 | -58.9 | -58.2 | -53.1 | 0 | 0 | 110.2 | E136 D137 R152 R299 | Q134-E136 PolarHBondContact O-N 2.9Å; Q134-D137 PolarHBondContact N-OD2 2.94Å; Q134-D137 PolarHBondContact O-N 3.45Å; Q134-R152 PolarHBondContact O-NH2 3.15Å; Q134-R299 VanDerWaalsContact CG-CZ 3.43Å | ||
| 135 | D | 97.2 | Very high | 98.1 | Very high | 99 Ų | 99 | 19.9 Ų | 19.9 | 53% | 0.529 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -28.6 | -179.4 | -77.4 | -22 | 0 | 0 | 0 | 112 | N186 | D135-N186 PolarHBondContact O-ND2 3.12Š|
| 136 | E | 97.1 | Very high | 98.1 | Very high | 101 Ų | 101 | 20.1 Ų | 20.1 | 47% | 0.472 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -22.2 | 177.1 | -66.2 | 71.9 | -154.4 | 0 | 0 | 113.7 | Q134 L138 R215 | Q134-E136 PolarHBondContact O-N 2.9Å; E136-L138 PolarHBondContact O-N 3.3Å; E136-R215 VanDerWaalsContact O-CD 3.28Å; E136-R215 WeakPolarHBondContact O-CD 3.46Å; E136-R215 WeakPolarHBondContact O-CG 3.47Å; E136-R215 PolarHBondContact O-NE 2.92Å; E136-R215 PolarHBondContact O-NH2 3.31Å |
| 137 | D | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -63.5 | 134.6 | -178.6 | -67.1 | -37.1 | 0 | 0 | 0 | 110.1 | L133 Q134 R152 V216 R299 | L133-D137 HydrophobicContact CB-CB 4.24Å; L133-D137 HydrophobicContact CD1-CB 4.47Å; L133-D137 HydrophobicContact CD2-CB 4.26Å; Q134-D137 PolarHBondContact N-OD2 2.94Å; Q134-D137 PolarHBondContact O-N 3.45Å; D137-R152 VanDerWaalsContact O-CZ 3.3Å; D137-R152 PolarHBondContact O-NH1 2.76Å; D137-R152 PolarHBondContact O-NH2 2.86Å; D137-V216 WeakPolarHBondContact CA-O 3.5Å; D137-V216 HydrophobicContact CB-CG2 4.03Å; D137-V216 WeakPolarHBondContact OD1-CG2 3.34Å; D137-V216 PolarHBondContact OD1-N 2.89Å; D137-R299 IonicContact OD1-NE 3.69Å; D137-R299 IonicContact OD1-NH2 2.72Å; D137-R299 PolarHBondContact OD1-NH2 2.83Å; D137-R299 IonicContact OD2-CZ 2.83Å; D137-R299 IonicContact OD2-NE 3.66Å; D137-R299 PolarHBondContact OD2-NE 3.27Å; D137-R299 IonicContact OD2-NH2 3.51Å |
| 138 | L | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 20.1 Ų | 20.1 | 14% | 0.141 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 130.2 | -174 | -169 | 66.7 | 0 | 0 | 0 | 110.4 | E136 F140 N186 V188 S204 V216 S217 L218 | E136-L138 PolarHBondContact O-N 3.3Å; L138-F140 HydrophobicContact CB-CE2 4.45Å; L138-F140 HydrophobicContact CD2-CE2 3.49Å; L138-F140 VanDerWaalsContact CD2-CE2 3.49Å; L138-F140 HydrophobicContact CD2-CZ 3.72Å; L138-F140 HydrophobicContact CG-CD2 4.41Å; L138-F140 HydrophobicContact CG-CE2 3.82Å; L138-F140 HydrophobicContact CG-CZ 4.41Å; L138-N186 HydrophobicContact CD1-CB 4.04Å; L138-V188 HydrophobicContact CD1-CG2 3.82Å; L138-V188 HydrophobicContact CD2-CG2 3.98Å; L138-V188 HydrophobicContact CG-CG2 3.86Å; L138-S204 WeakPolarHBondContact CD2-OG 3.38Å; L138-V216 PolarHBondContact N-O 3.18Å; L138-S217 CarbonylContact O-C 3.59Å; L138-S217 VanDerWaalsContact O-CA 3.31Å; L138-S217 WeakPolarHBondContact O-CA 3.43Å; L138-L218 PolarHBondContact O-N 3.06Å |
| 139 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.2 | -178.7 | -63.5 | 178.4 | 0 | 0 | 0 | 110.2 | L133 P148 N186 Y187 V188 L218 Y220 | L133-I139 HydrophobicContact CD1-CD1 3.93Å; L133-I139 HydrophobicContact CD1-CG1 3.98Å; I139-P148 HydrophobicContact CD1-CB 3.6Å; I139-P148 HydrophobicContact CD1-CG 4.27Å; I139-N186 PolarHBondContact N-O 3.29Å; I139-Y187 HydrophobicContact CB-CD2 4.08Å; I139-Y187 HydrophobicContact CG2-CD2 3.78Å; I139-Y187 HydrophobicContact CG2-CE2 3.88Å; I139-V188 PolarHBondContact O-N 3.36Å; I139-L218 WeakPolarHBondContact CA-O 3.32Å; I139-Y220 HydrophobicContact CG2-CD2 3.93Å; I139-Y220 HydrophobicContact CG2-CE2 3.64Å |
| 140 | F | 98.9 | Very high | 98.1 | Very high | 10 Ų | 10 | 20.6 Ų | 20.6 | 4% | 0.044 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.6 | 168 | -68.6 | -100.6 | 0 | 0 | 0 | 108.5 | L138 V188 Q197 Q200 A201 L218 C219 Y220 | L138-F140 HydrophobicContact CB-CE2 4.45Å; L138-F140 HydrophobicContact CD2-CE2 3.49Å; L138-F140 VanDerWaalsContact CD2-CE2 3.49Å; L138-F140 HydrophobicContact CD2-CZ 3.72Å; L138-F140 HydrophobicContact CG-CD2 4.41Å; L138-F140 HydrophobicContact CG-CE2 3.82Å; L138-F140 HydrophobicContact CG-CZ 4.41Å; F140-V188 HydrophobicContact CD1-CB 4.02Å; F140-V188 HydrophobicContact CD1-CG1 4.06Å; F140-V188 HydrophobicContact CD1-CG2 3.97Å; F140-V188 HydrophobicContact CD2-CG2 4.36Å; F140-V188 HydrophobicContact CE1-CB 4.17Å; F140-V188 HydrophobicContact CE1-CG1 4.01Å; F140-V188 HydrophobicContact CE1-CG2 3.75Å; F140-V188 HydrophobicContact CE2-CG2 4.15Å; F140-V188 HydrophobicContact CG-CB 4.46Å; F140-V188 HydrophobicContact CG-CG2 4.28Å; F140-V188 HydrophobicContact CZ-CG2 3.84Å; F140-Q197 HydrophobicContact CB-CB 4.18Å; F140-Q197 HydrophobicContact CB-CG 4.06Å; F140-Q197 HydrophobicContact CD1-CB 4.19Å; F140-Q200 HydrophobicContact CD1-CB 4.4Å; F140-Q200 HydrophobicContact CE1-CB 3.92Å; F140-A201 HydrophobicContact CB-CB 4.12Å; F140-A201 HydrophobicContact CD1-CB 4.22Å; F140-A201 HydrophobicContact CD2-CB 3.45Å; F140-A201 VanDerWaalsContact CD2-CB 3.45Å; F140-A201 VanDerWaalsContact CE2-CA 3.49Å; F140-A201 HydrophobicContact CE2-CB 3.8Å; F140-A201 HydrophobicContact CG-CB 3.67Å; F140-A201 HydrophobicContact CZ-CB 4.33Å; F140-L218 PolarHBondContact N-O 3.43Å; F140-C219 HydrophobicContact CB-CB 4.33Å; F140-C219 WeakPolarHBondContact O-CA 3.46Å; F140-Y220 PolarHBondContact O-N 2.93Å |
| 141 | A | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 5% | 0.05 | 11% | 0.105 | C | C | . | . | trans | -110.9 | 164.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E145 Y187 I190 | A141-E145 HydrophobicContact CB-CB 3.71Å; A141-E145 HydrophobicContact CB-CG 3.94Å; A141-Y187 HydrophobicContact CB-CE1 3.77Å; A141-Y187 HydrophobicContact CB-CE2 4.11Å; A141-Y187 WeakPolarHBondContact CB-OH 3.49Å; A141-I190 HydrophobicContact CB-CD1 4.1Å; A141-I190 HydrophobicContact CB-CG1 3.82Å | ||
| 142 | Q | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.019 | 10% | 0.103 | C | C | . | . | trans | -105.1 | -60.3 | 177.9 | -168.8 | -170.2 | 15.1 | 0 | 0 | 111.5 | E145 I190 L194 R250 | Q142-E145 WeakPolarHBondContact CA-OE2 3.32Å; Q142-E145 PolarHBondContact N-OE2 2.67Å; Q142-I190 WeakPolarHBondContact O-CG2 3.36Å; Q142-L194 HydrophobicContact CG-CD2 4.15Å; Q142-R250 VanDerWaalsContact OE1-NH2 3.1Å | ||
| 143 | Y | 97.6 | Very high | 98.1 | Very high | 40 Ų | 40 | 23.6 Ų | 23.6 | 16% | 0.157 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 177.1 | -5.5 | 174.8 | 49 | -113.8 | 0 | 0 | 0 | 113.8 | M117 E145 V178 L194 | M117-Y143 HydrophobicContact CE-CD1 4.49Å; M117-Y143 HydrophobicContact CE-CD2 3.26Å; M117-Y143 HydrophobicContact CE-CE2 3.36Å; M117-Y143 HydrophobicContact CE-CG 3.93Å; M117-Y143 HydrophobicContact SD-CD2 3.65Å; M117-Y143 HydrophobicContact SD-CE2 4.34Å; M117-Y143 HydrophobicContact SD-CG 3.82Å; Y143-E145 PolarHBondContact N-OE2 2.98Å; Y143-V178 WeakPolarHBondContact O-CG1 3.12Å; Y143-L194 HydrophobicContact CD1-CD2 4.42Å; Y143-L194 HydrophobicContact CE1-CD2 3.65Å |
| 144 | R | 97.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -112.5 | 25.4 | 175.9 | -56.8 | -162.2 | -169.7 | -79.7 | -12.8 | 112.4 | T118 N119 E122 T126 H320 | T118-R144 PolarHBondContact O-NH1 2.94Å; N119-R144 WeakPolarHBondContact OD1-CA 3.25Å; N119-R144 PolarHBondContact OD1-O 3.36Å; E122-R144 WeakPolarHBondContact OE1-CD 3.13Å; E122-R144 IonicContact OE1-NE 3.61Å; T126-R144 VanDerWaalsContact CG2-O 3.29Å; T126-R144 WeakPolarHBondContact CG2-O 3.44Å; R144-H320 PolarHBondContact NH1-O 3.45Å; R144-H320 PolarHBondContact NH2-ND1 3.05Å; R144-H320 PolarHBondContact NH2-O 2.86Å |
| 145 | E | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | trans | -107 | 46.2 | -174.6 | -70.2 | 66.7 | -137.8 | 0 | 0 | 110.7 | A141 Q142 Y143 G147 P148 Y187 Y220 R250 | A141-E145 HydrophobicContact CB-CB 3.71Å; A141-E145 HydrophobicContact CB-CG 3.94Å; Q142-E145 WeakPolarHBondContact CA-OE2 3.32Å; Q142-E145 PolarHBondContact N-OE2 2.67Å; Y143-E145 PolarHBondContact N-OE2 2.98Å; E145-G147 VanDerWaalsContact C-N 3.26Å; E145-P148 HydrophobicContact CB-CG 4.41Å; E145-P148 WeakPolarHBondContact O-CD 3.42Å; E145-Y187 HydrophobicContact CB-CE2 4.36Å; E145-Y187 VanDerWaalsContact CB-OH 3.27Å; E145-Y187 WeakPolarHBondContact CB-OH 3.44Å; E145-Y187 WeakPolarHBondContact O-CE2 3.28Å; E145-Y187 PolarHBondContact O-OH 2.9Å; E145-Y220 HydrophobicContact CB-CD2 4.31Å; E145-Y220 HydrophobicContact CG-CD1 3.92Å; E145-Y220 HydrophobicContact CG-CD2 3.38Å; E145-Y220 HydrophobicContact CG-CE1 4.45Å; E145-Y220 HydrophobicContact CG-CE2 3.93Å; E145-Y220 HydrophobicContact CG-CG 3.35Å; E145-Y220 WeakPolarHBondContact OE1-CB 3.16Å; E145-R250 IonicContact OE1-CZ 2.73Å; E145-R250 IonicContact OE1-NE 3.94Å; E145-R250 PolarHBondContact OE1-NE 3.17Å; E145-R250 IonicContact OE1-NH2 3.99Å; E145-R250 PolarHBondContact OE1-NH2 2.93Å; E145-R250 IonicContact OE2-NH2 3.68Å | ||
| 146 | L | 97.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66 | -34.7 | 173.6 | 175.9 | 54.7 | 0 | 0 | 0 | 111.1 | M97 I100 L149 L150 L159 Y180 | M97-L146 HydrophobicContact CG-CD2 4.01Å; M97-L146 HydrophobicContact CG-CG 4.32Å; M97-L146 HydrophobicContact SD-CB 3.99Å; M97-L146 HydrophobicContact SD-CD2 4.47Å; M97-L146 HydrophobicContact SD-CG 4.19Å; I100-L146 HydrophobicContact CB-CD2 4.5Å; I100-L146 HydrophobicContact CD1-CD2 4.4Å; I100-L146 HydrophobicContact CG2-CD2 4.02Å; L146-L149 HydrophobicContact CD1-CB 4.48Å; L146-L149 WeakPolarHBondContact O-CB 3.41Å; L146-L149 PolarHBondContact O-N 2.98Å; L146-L149 VanDerWaalsContact O-N 3.07Å; L146-L150 HydrophobicContact CD1-CD2 4.08Å; L146-L150 HydrophobicContact CD1-CG 4.08Å; L146-L150 HydrophobicContact CD2-CD1 4.39Å; L146-L150 HydrophobicContact CG-CD1 4.03Å; L146-L150 HydrophobicContact CG-CD2 4.43Å; L146-L150 HydrophobicContact CG-CG 4.03Å; L146-L150 PolarHBondContact O-N 3.23Å; L146-L159 HydrophobicContact CD1-CD1 3.32Å; L146-L159 HydrophobicContact CD1-CG 4.24Å; L146-L159 HydrophobicContact CD2-CD1 4.19Å; L146-L159 HydrophobicContact CG-CD1 4.38Å; L146-Y180 HydrophobicContact CD1-CE2 4.18Å |
| 147 | G | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -48.8 | -52.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | I127 E145 L149 L150 W151 | I127-G147 WeakPolarHBondContact CD1-O 3.46Å; E145-G147 VanDerWaalsContact C-N 3.26Å; G147-L149 VanDerWaalsContact C-N 3.29Å; G147-L149 PolarHBondContact O-N 3.37Å; G147-L150 PolarHBondContact O-N 2.74Å; G147-L150 VanDerWaalsContact O-N 3.14Å; G147-W151 WeakPolarHBondContact O-CB 3.45Å; G147-W151 PolarHBondContact O-N 3.36Å |
| 148 | P | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.6 | -34.9 | 177.9 | -25 | 25.5 | 0 | 0 | 0 | 115.5 | A130 I139 E145 R152 Y187 Y220 | A130-P148 HydrophobicContact CB-CB 3.87Å; A130-P148 HydrophobicContact CB-CG 4.03Å; I139-P148 HydrophobicContact CD1-CB 3.6Å; I139-P148 HydrophobicContact CD1-CG 4.27Å; E145-P148 HydrophobicContact CB-CG 4.41Å; E145-P148 WeakPolarHBondContact O-CD 3.42Å; P148-R152 WeakPolarHBondContact O-CB 3.43Å; P148-R152 WeakPolarHBondContact O-CG 3.37Å; P148-R152 PolarHBondContact O-N 2.85Å; P148-Y187 HydrophobicContact CB-CD2 4.19Å; P148-Y187 HydrophobicContact CB-CE2 4Å; P148-Y187 HydrophobicContact CG-CE2 4.37Å; P148-Y220 HydrophobicContact CG-CE2 3.91Å |
| 149 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.9 | -45.4 | 175.7 | -73.2 | 169.8 | 0 | 0 | 0 | 110.7 | L146 G147 W151 R152 G153 Y154 Y180 Y187 | L146-L149 HydrophobicContact CD1-CB 4.48Å; L146-L149 WeakPolarHBondContact O-CB 3.41Å; L146-L149 PolarHBondContact O-N 2.98Å; L146-L149 VanDerWaalsContact O-N 3.07Å; G147-L149 VanDerWaalsContact C-N 3.29Å; G147-L149 PolarHBondContact O-N 3.37Å; L149-W151 VanDerWaalsContact C-N 3.34Å; L149-R152 PolarHBondContact O-N 2.87Å; L149-G153 PolarHBondContact O-N 2.81Å; L149-Y154 HydrophobicContact CB-CD1 4.32Å; L149-Y154 HydrophobicContact CB-CG 4.27Å; L149-Y154 HydrophobicContact CD1-CD1 4.46Å; L149-Y154 HydrophobicContact CD2-CD1 4.33Å; L149-Y154 HydrophobicContact CD2-CD2 4.24Å; L149-Y154 HydrophobicContact CD2-CG 3.97Å; L149-Y154 WeakPolarHBondContact O-CB 3.12Å; L149-Y154 PolarHBondContact O-N 2.88Å; L149-Y180 VanDerWaalsContact CD1-CB 3.43Å; L149-Y180 HydrophobicContact CD1-CD2 3.93Å; L149-Y180 HydrophobicContact CD1-CG 3.88Å; L149-Y187 HydrophobicContact CD1-CD1 4.45Å; L149-Y187 HydrophobicContact CD1-CE1 4.17Å; L149-Y187 HydrophobicContact CD1-CE2 4.33Å; L149-Y187 HydrophobicContact CD2-CD1 4.11Å; L149-Y187 HydrophobicContact CD2-CD2 3.88Å; L149-Y187 HydrophobicContact CD2-CE2 4.37Å; L149-Y187 HydrophobicContact CD2-CG 3.7Å; L149-Y187 HydrophobicContact CG-CD1 4.37Å; L149-Y187 HydrophobicContact CG-CD2 3.85Å; L149-Y187 HydrophobicContact CG-CE1 4.38Å; L149-Y187 HydrophobicContact CG-CE2 3.84Å; L149-Y187 HydrophobicContact CG-CG 4.09Å |
| 150 | L | 98.1 | Very high | 98 | Very high | 9 Ų | 9 | 16.3 Ų | 16.3 | 5% | 0.047 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.1 | -56.9 | -177.6 | 0 | 0 | 0 | 111 | N93 F96 M97 I100 L146 G147 R152 G153 L159 | N93-L150 PolarHBondContact OD1-O 2.94Å; F96-L150 HydrophobicContact CD1-CD1 4.23Å; F96-L150 HydrophobicContact CD1-CD2 4.1Å; F96-L150 HydrophobicContact CE1-CD2 3.91Å; M97-L150 HydrophobicContact CB-CD1 3.67Å; M97-L150 HydrophobicContact CG-CD1 4.06Å; M97-L150 HydrophobicContact SD-CD1 4.3Å; I100-L150 HydrophobicContact CD1-CD1 4.04Å; I100-L150 HydrophobicContact CD1-CD2 3.7Å; L146-L150 HydrophobicContact CD1-CD2 4.08Å; L146-L150 HydrophobicContact CD1-CG 4.08Å; L146-L150 HydrophobicContact CD2-CD1 4.39Å; L146-L150 HydrophobicContact CG-CD1 4.03Å; L146-L150 HydrophobicContact CG-CD2 4.43Å; L146-L150 HydrophobicContact CG-CG 4.03Å; L146-L150 PolarHBondContact O-N 3.23Å; G147-L150 PolarHBondContact O-N 2.74Å; G147-L150 VanDerWaalsContact O-N 3.14Å; L150-R152 VanDerWaalsContact C-N 3.33Å; L150-R152 PolarHBondContact O-N 2.88Å; L150-G153 PolarHBondContact O-N 3.24Å; L150-L159 HydrophobicContact CD2-CD1 4.21Å |
| 151 | W | 98.4 | Very high | 98 | Very high | 14 Ų | 14 | 16 Ų | 16 | 5% | 0.053 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 179.2 | -175 | -98.4 | 0 | 0 | 0 | 112.6 | L86 R89 M90 I127 A130 A131 G147 L149 G153 | L86-W151 HydrophobicContact CD1-CH2 3.63Å; L86-W151 HydrophobicContact CD1-CZ2 3.93Å; R89-W151 HydrophobicContact CB-CH2 4.41Å; R89-W151 HydrophobicContact CB-CZ3 4.36Å; R89-W151 HydrophobicContact CG-CE3 4.49Å; R89-W151 HydrophobicContact CG-CH2 3.97Å; R89-W151 HydrophobicContact CG-CZ3 3.74Å; R89-W151 PolarHBondContact NH2-O 3.24Å; M90-W151 HydrophobicContact CB-CZ3 4.47Å; M90-W151 HydrophobicContact CG-CH2 3.99Å; M90-W151 HydrophobicContact CG-CZ3 3.76Å; I127-W151 HydrophobicContact CG2-CE3 3.95Å; I127-W151 HydrophobicContact CG2-CZ3 4.17Å; A130-W151 HydrophobicContact CB-CB 3.85Å; A130-W151 HydrophobicContact CB-CG 3.93Å; A131-W151 VanDerWaalsContact CA-CZ2 3.5Å; A131-W151 HydrophobicContact CB-CD2 4.08Å; A131-W151 HydrophobicContact CB-CE3 4.28Å; A131-W151 HydrophobicContact CB-CH2 3.5Å; A131-W151 HydrophobicContact CB-CZ2 3.28Å; A131-W151 HydrophobicContact CB-CZ3 4.02Å; G147-W151 WeakPolarHBondContact O-CB 3.45Å; G147-W151 PolarHBondContact O-N 3.36Å; L149-W151 VanDerWaalsContact C-N 3.34Å; W151-G153 PolarHBondContact O-N 2.85Å |
| 152 | R | 98.3 | Very high | 98 | Very high | 16 Ų | 16 | 16.1 Ų | 16.1 | 6% | 0.06 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 10.1 | 178.1 | -68.6 | -175 | 170 | 174.2 | -2.7 | 113.9 | Q134 D137 P148 L149 L150 K185 N186 | Q134-R152 PolarHBondContact O-NH2 3.15Å; D137-R152 VanDerWaalsContact O-CZ 3.3Å; D137-R152 PolarHBondContact O-NH1 2.76Å; D137-R152 PolarHBondContact O-NH2 2.86Å; P148-R152 WeakPolarHBondContact O-CB 3.43Å; P148-R152 WeakPolarHBondContact O-CG 3.37Å; P148-R152 PolarHBondContact O-N 2.85Å; L149-R152 PolarHBondContact O-N 2.87Å; L150-R152 VanDerWaalsContact C-N 3.33Å; L150-R152 PolarHBondContact O-N 2.88Å; R152-K185 HydrophobicContact CB-CB 4.14Å; R152-K185 HydrophobicContact CB-CD 4.27Å; R152-K185 HydrophobicContact CB-CG 4.37Å; R152-K185 WeakPolarHBondContact CD-O 3.5Å; R152-K185 PolarHBondContact NH1-O 3.07Å; R152-K185 WeakPolarHBondContact O-CD 3.45Å; R152-K185 WeakPolarHBondContact O-CE 3.48Å; R152-K185 PolarHBondContact O-NZ 2.91Å; R152-N186 PolarHBondContact NH1-O 2.74Å |
| 153 | G | 97.3 | Very high | 98 | Very high | 51 Ų | 51 | 16.1 Ų | 16.1 | 53% | 0.526 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 35.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L149 L150 W151 | L149-G153 PolarHBondContact O-N 2.81Å; L150-G153 PolarHBondContact O-N 3.24Å; W151-G153 PolarHBondContact O-N 2.85Å |
| 154 | Y | 97.6 | Very high | 98 | Very high | 25 Ų | 25 | 15 Ų | 15 | 10% | 0.098 | 9% | 0.094 | C | C | . | . | trans | -63.5 | 137 | 168.7 | -168.1 | -113.5 | 0 | 0 | 0 | 109.9 | L149 L156 L159 K185 | L149-Y154 HydrophobicContact CB-CD1 4.32Å; L149-Y154 HydrophobicContact CB-CG 4.27Å; L149-Y154 HydrophobicContact CD1-CD1 4.46Å; L149-Y154 HydrophobicContact CD2-CD1 4.33Å; L149-Y154 HydrophobicContact CD2-CD2 4.24Å; L149-Y154 HydrophobicContact CD2-CG 3.97Å; L149-Y154 WeakPolarHBondContact O-CB 3.12Å; L149-Y154 PolarHBondContact O-N 2.88Å; Y154-L156 PolarHBondContact O-N 2.85Å; Y154-L159 HydrophobicContact CD1-CB 4.27Å; Y154-L159 HydrophobicContact CE1-CB 4.14Å; Y154-K185 HydrophobicContact CD2-CG 4.15Å | ||
| 155 | S | 96.9 | Very high | 98 | Very high | 58 Ų | 58 | 15.6 Ų | 15.6 | 41% | 0.406 | 10% | 0.101 | S | C | . | . | trans | -65.3 | 129.5 | -175.2 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | Q157 S158 L159 | S155-Q157 PolarHBondContact O-N 2.86Å; S155-Q157 PolarHBondContact OG-N 3.42Å; S155-S158 WeakPolarHBondContact CB-OG 3.35Å; S155-S158 PolarHBondContact O-N 3.46Å; S155-S158 VanDerWaalsContact O-N 3.13Å; S155-S158 PolarHBondContact OG-N 2.79Å; S155-L159 PolarHBondContact O-N 2.89Å | ||
| 156 | L | 98.3 | Very high | 97.8 | Very high | 27 Ų | 27 | 15.5 Ų | 15.5 | 14% | 0.141 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54 | -42.4 | 170.6 | 175.8 | 59.8 | 0 | 0 | 0 | 111.5 | F96 I100 Y154 S158 L159 V160 D373 V374 A377 | F96-L156 HydrophobicContact CE2-CD1 4.24Å; F96-L156 HydrophobicContact CE2-CD2 4.08Å; F96-L156 HydrophobicContact CZ-CB 4.05Å; F96-L156 HydrophobicContact CZ-CD1 3.92Å; F96-L156 HydrophobicContact CZ-CD2 3.93Å; F96-L156 HydrophobicContact CZ-CG 4.17Å; I100-L156 HydrophobicContact CD1-CD1 4.04Å; I100-L156 HydrophobicContact CG1-CD1 3.95Å; Y154-L156 PolarHBondContact O-N 2.85Å; L156-S158 VanDerWaalsContact C-N 3.32Å; L156-S158 PolarHBondContact O-N 2.84Å; L156-L159 WeakPolarHBondContact O-CB 3.34Å; L156-L159 PolarHBondContact O-N 3.28Å; L156-V160 HydrophobicContact CD1-CG2 4.07Å; L156-V160 WeakPolarHBondContact O-CG2 3.09Å; L156-V160 PolarHBondContact O-N 3.2Å; L156-D373 HydrophobicContact CD2-CB 4.09Å; L156-V374 HydrophobicContact CD1-CG2 4.05Å; L156-V374 HydrophobicContact CD2-CG2 4.14Å; L156-A377 HydrophobicContact CD2-CB 3.99Å; L156-A377 HydrophobicContact CG-CB 3.87Å |
| 157 | Q | 98.3 | Very high | 97.5 | Very high | 40 Ų | 40 | 18.9 Ų | 18.9 | 19% | 0.187 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 179.9 | -171.3 | 61.4 | 60.9 | 0 | 0 | 110.7 | S155 L159 V160 D161 A377 | S155-Q157 PolarHBondContact O-N 2.86Å; S155-Q157 PolarHBondContact OG-N 3.42Å; Q157-L159 PolarHBondContact O-N 3.41Å; Q157-V160 PolarHBondContact O-N 3.22Å; Q157-D161 PolarHBondContact NE2-OD1 2.79Å; Q157-D161 VanDerWaalsContact O-CB 3.29Å; Q157-D161 WeakPolarHBondContact O-CB 3.41Å; Q157-D161 PolarHBondContact O-N 3.09Å; Q157-D161 VanDerWaalsContact O-OD2 3.13Å; Q157-A377 PolarHBondContact NE2-O 2.87Å; Q157-A377 VanDerWaalsContact NE2-O 3.12Å; Q157-A377 PolarHBondContact OE1-O 3.34Å |
| 158 | S | 97.2 | Very high | 97.3 | Very high | 35 Ų | 35 | 23 Ų | 23 | 25% | 0.245 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.8 | -34.5 | 178.5 | -57.6 | 0 | 0 | 0 | 0 | 113 | S155 L156 Q162 | S155-S158 WeakPolarHBondContact CB-OG 3.35Å; S155-S158 PolarHBondContact O-N 3.46Å; S155-S158 VanDerWaalsContact O-N 3.13Å; S155-S158 PolarHBondContact OG-N 2.79Å; L156-S158 VanDerWaalsContact C-N 3.32Å; L156-S158 PolarHBondContact O-N 2.84Å; S158-Q162 PolarHBondContact O-N 2.82Å; S158-Q162 VanDerWaalsContact O-N 3.17Å |
| 159 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.6 | -50.6 | 172.2 | -177.2 | 171.8 | 0 | 0 | 0 | 110.6 | I100 L104 L146 L150 Y154 S155 L156 Q157 Q162 C163 Y180 | I100-L159 HydrophobicContact CD1-CD1 4.11Å; I100-L159 HydrophobicContact CG2-CD1 4.38Å; I100-L159 HydrophobicContact CG2-CD2 4.16Å; L104-L159 HydrophobicContact CD1-CD2 3.69Å; L146-L159 HydrophobicContact CD1-CD1 3.32Å; L146-L159 HydrophobicContact CD1-CG 4.24Å; L146-L159 HydrophobicContact CD2-CD1 4.19Å; L146-L159 HydrophobicContact CG-CD1 4.38Å; L150-L159 HydrophobicContact CD2-CD1 4.21Å; Y154-L159 HydrophobicContact CD1-CB 4.27Å; Y154-L159 HydrophobicContact CE1-CB 4.14Å; S155-L159 PolarHBondContact O-N 2.89Å; L156-L159 WeakPolarHBondContact O-CB 3.34Å; L156-L159 PolarHBondContact O-N 3.28Å; Q157-L159 PolarHBondContact O-N 3.41Å; L159-Q162 WeakPolarHBondContact O-CB 3.48Å; L159-Q162 PolarHBondContact O-N 2.86Å; L159-C163 PolarHBondContact O-N 3.08Å; L159-Y180 HydrophobicContact CD2-CE1 4.1Å; L159-Y180 WeakPolarHBondContact CD2-OH 3.34Å; L159-Y180 HydrophobicContact CG-CE1 3.86Å |
| 160 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.2 | -36.2 | -178.9 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | L104 L156 Q157 Q162 C163 V164 A377 L378 A381 | L104-V160 HydrophobicContact CD2-CG1 4.35Å; L104-V160 HydrophobicContact CD2-CG2 4.39Å; L156-V160 HydrophobicContact CD1-CG2 4.07Å; L156-V160 WeakPolarHBondContact O-CG2 3.09Å; L156-V160 PolarHBondContact O-N 3.2Å; Q157-V160 PolarHBondContact O-N 3.22Å; V160-Q162 VanDerWaalsContact C-N 3.27Å; V160-Q162 PolarHBondContact O-N 2.82Å; V160-C163 PolarHBondContact O-N 3.05Å; V160-C163 VanDerWaalsContact O-N 3.17Å; V160-V164 HydrophobicContact CG1-CG2 4.26Å; V160-V164 WeakPolarHBondContact O-CG2 3.31Å; V160-V164 PolarHBondContact O-N 3.2Å; V160-A377 HydrophobicContact CB-CB 4.47Å; V160-A377 HydrophobicContact CG2-CB 4.05Å; V160-L378 HydrophobicContact CG1-CB 4.15Å; V160-L378 HydrophobicContact CG1-CD1 3.86Å; V160-A381 HydrophobicContact CB-CB 4.46Å; V160-A381 HydrophobicContact CG1-CB 3.73Å |
| 161 | D | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.8 | -39 | 174.8 | -71 | -24.1 | 0 | 0 | 0 | 111.5 | Q157 G165 N166 D168 A381 K384 | Q157-D161 PolarHBondContact NE2-OD1 2.79Å; Q157-D161 VanDerWaalsContact O-CB 3.29Å; Q157-D161 WeakPolarHBondContact O-CB 3.41Å; Q157-D161 PolarHBondContact O-N 3.09Å; Q157-D161 VanDerWaalsContact O-OD2 3.13Å; D161-G165 WeakPolarHBondContact O-CA 3.41Å; D161-G165 PolarHBondContact O-N 3.23Å; D161-N166 WeakPolarHBondContact CA-ND2 3.34Å; D161-N166 WeakPolarHBondContact CB-OD1 3.16Å; D161-N166 PolarHBondContact O-N 3.29Å; D161-N166 PolarHBondContact OD1-ND2 3.23Å; D161-N166 PolarHBondContact OD1-OD1 3.49Å; D161-D168 HydrophobicContact CB-CB 4.39Å; D161-D168 WeakPolarHBondContact OD2-CB 3.31Å; D161-A381 WeakPolarHBondContact OD1-CB 3.34Å; D161-K384 IonicContact OD1-NZ 2.74Å; D161-K384 PolarHBondContact OD1-NZ 3.18Å; D161-K384 IonicContact OD2-NZ 3.58Å; D161-K384 PolarHBondContact OD2-NZ 3.02Å |
| 162 | Q | 98.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65 | -45.6 | 173.6 | -168.2 | -76.2 | -33 | 0 | 0 | 112.1 | S158 L159 V160 V164 G165 M176 Y180 | S158-Q162 PolarHBondContact O-N 2.82Å; S158-Q162 VanDerWaalsContact O-N 3.17Å; L159-Q162 WeakPolarHBondContact O-CB 3.48Å; L159-Q162 PolarHBondContact O-N 2.86Å; V160-Q162 VanDerWaalsContact C-N 3.27Å; V160-Q162 PolarHBondContact O-N 2.82Å; Q162-V164 VanDerWaalsContact C-N 3.3Å; Q162-V164 PolarHBondContact O-N 3.23Å; Q162-G165 PolarHBondContact O-N 3.15Å; Q162-G165 VanDerWaalsContact O-N 3.12Å; Q162-M176 PolarHBondContact NE2-O 2.91Å; Q162-Y180 HydrophobicContact CB-CD1 4.07Å; Q162-Y180 HydrophobicContact CB-CE1 4.15Å; Q162-Y180 HydrophobicContact CG-CD1 3.96Å; Q162-Y180 HydrophobicContact CG-CE1 4.33Å |
| 163 | C | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.02 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -34.5 | 178.7 | -71.7 | 0 | 0 | 0 | 0 | 113 | I113 L159 V160 P177 Y180 | I113-C163 HydrophobicContact CD1-CB 4.33Å; I113-C163 HydrophobicContact CG2-CB 4.38Å; L159-C163 PolarHBondContact O-N 3.08Å; V160-C163 PolarHBondContact O-N 3.05Å; V160-C163 VanDerWaalsContact O-N 3.17Å; C163-P177 HydrophobicContact CB-CB 4.33Å; C163-P177 WeakPolarHBondContact O-CG 3.43Å; C163-Y180 PolarHBondContact SG-OH 2.95Å |
| 164 | V | 97.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 34 Ų | 34 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -78.4 | -27.1 | 174.5 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | I113 V160 Q162 N166 L378 A381 E382 K386 | I113-V164 HydrophobicContact CG2-CG2 3.94Å; V160-V164 HydrophobicContact CG1-CG2 4.26Å; V160-V164 WeakPolarHBondContact O-CG2 3.31Å; V160-V164 PolarHBondContact O-N 3.2Å; Q162-V164 VanDerWaalsContact C-N 3.3Å; Q162-V164 PolarHBondContact O-N 3.23Å; V164-N166 HydrophobicContact CG1-CB 4.19Å; V164-L378 HydrophobicContact CG2-CD1 4.07Å; V164-A381 HydrophobicContact CB-CB 4.35Å; V164-A381 HydrophobicContact CG2-CB 3.87Å; V164-E382 HydrophobicContact CG2-CG 4.44Å; V164-K386 PolarHBondContact O-NZ 3.31Å |
| 165 | G | 96.8 | Very high | 96.2 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 43.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112 | D161 Q162 K386 P387 | D161-G165 WeakPolarHBondContact O-CA 3.41Å; D161-G165 PolarHBondContact O-N 3.23Å; Q162-G165 PolarHBondContact O-N 3.15Å; Q162-G165 VanDerWaalsContact O-N 3.12Å; G165-K386 WeakPolarHBondContact O-CD 3.48Å; G165-P387 VanDerWaalsContact O-CD 3.31Å; G165-P387 WeakPolarHBondContact O-CD 3.5Å |
| 166 | N | 95.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -88.8 | 179.3 | 179.7 | 70.2 | 41.4 | 0 | 0 | 0 | 112.4 | D161 V164 D168 D169 A381 K384 K385 P387 | D161-N166 WeakPolarHBondContact CA-ND2 3.34Å; D161-N166 WeakPolarHBondContact CB-OD1 3.16Å; D161-N166 PolarHBondContact O-N 3.29Å; D161-N166 PolarHBondContact OD1-ND2 3.23Å; D161-N166 PolarHBondContact OD1-OD1 3.49Å; V164-N166 HydrophobicContact CG1-CB 4.19Å; N166-D168 PolarHBondContact O-N 2.85Å; N166-D168 PolarHBondContact OD1-N 3.21Å; N166-D169 VanDerWaalsContact O-CB 3.3Å; N166-D169 WeakPolarHBondContact O-CB 3.44Å; N166-D169 PolarHBondContact O-N 3.04Å; N166-A381 WeakPolarHBondContact ND2-CA 3.46Å; N166-A381 WeakPolarHBondContact ND2-CB 3.47Å; N166-A381 PolarHBondContact ND2-O 3.19Å; N166-K384 HydrophobicContact CB-CB 3.88Å; N166-K385 CarbonylContact C-O 3.5Å; N166-K385 WeakPolarHBondContact CA-O 3.46Å; N166-K385 WeakPolarHBondContact CB-O 3.35Å; N166-P387 WeakPolarHBondContact O-CG 3.45Å | ||
| 167 | E | 91.6 | Very high | 96.3 | Very high | 76 Ų | 76 | 37.4 Ų | 37.4 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.3 | -174.8 | 68.3 | -170.1 | 139.5 | 0 | 0 | 114.9 | K385 S429 | E167-K385 WeakPolarHBondContact CB-O 3.45Å; E167-K385 PolarHBondContact N-O 2.79Å; E167-K385 PolarHBondContact OE1-N 2.58Å; E167-S429 WeakPolarHBondContact OE2-CB 3.39Å |
| 168 | D | 92.6 | Very high | 96.3 | Very high | 86 Ų | 86 | 35.8 Ų | 35.8 | 46% | 0.46 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -3 | 176.2 | -72.4 | -17.3 | 0 | 0 | 0 | 112.7 | D161 N166 T170 K384 | D161-D168 HydrophobicContact CB-CB 4.39Å; D161-D168 WeakPolarHBondContact OD2-CB 3.31Å; N166-D168 PolarHBondContact O-N 2.85Å; N166-D168 PolarHBondContact OD1-N 3.21Å; D168-T170 PolarHBondContact O-N 2.76Å; D168-K384 HydrophobicContact CB-CD 4.28Å; D168-K384 WeakPolarHBondContact OD2-CD 3.32Å; D168-K384 WeakPolarHBondContact OD2-CE 3.26Å; D168-K384 IonicContact OD2-NZ 3.19Å; D168-K384 PolarHBondContact OD2-NZ 3.13Å |
| 169 | D | 95.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | trans | -64.6 | 117.8 | 168.3 | 176.3 | 23 | 0 | 0 | 0 | 110.1 | N166 G171 L172 G173 | N166-D169 VanDerWaalsContact O-CB 3.3Å; N166-D169 WeakPolarHBondContact O-CB 3.44Å; N166-D169 PolarHBondContact O-N 3.04Å; D169-G171 PolarHBondContact O-N 3.19Å; D169-G171 PolarHBondContact OD1-N 3.31Å; D169-L172 WeakPolarHBondContact O-CA 3.3Å; D169-L172 PolarHBondContact O-N 3.29Å; D169-L172 PolarHBondContact OD2-N 3.32Å; D169-G173 WeakPolarHBondContact OD2-CA 3.35Å; D169-G173 PolarHBondContact OD2-N 2.99Å | ||
| 170 | T | 91.2 | Very high | 96.4 | Very high | 110 Ų | 110 | 35.2 Ų | 35.2 | 68% | 0.675 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.7 | 175.3 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | D168 L172 | D168-T170 PolarHBondContact O-N 2.76Å; T170-L172 VanDerWaalsContact C-N 3.25Å |
| 171 | G | 94 | Very high | 96.3 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 32% | 0.32 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D169 G173 R174 | D169-G171 PolarHBondContact O-N 3.19Å; D169-G171 PolarHBondContact OD1-N 3.31Å; G171-G173 PolarHBondContact O-N 3.2Å; G171-R174 WeakPolarHBondContact O-CB 3.24Å; G171-R174 WeakPolarHBondContact O-CG 3.26Å; G171-R174 PolarHBondContact O-N 3.44Å |
| 172 | L | 94.7 | Very high | 96.3 | Very high | 45 Ų | 45 | 36.2 Ų | 36.2 | 24% | 0.236 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 34 | 179.6 | -56.9 | 173.5 | 0 | 0 | 0 | 113.3 | D169 T170 R174 P387 | D169-L172 WeakPolarHBondContact O-CA 3.3Å; D169-L172 PolarHBondContact O-N 3.29Å; D169-L172 PolarHBondContact OD2-N 3.32Å; T170-L172 VanDerWaalsContact C-N 3.25Å; L172-R174 HydrophobicContact CB-CG 4.37Å; L172-R174 VanDerWaalsContact CD1-NH2 3.26Å; L172-R174 PolarHBondContact O-N 2.77Å; L172-P387 VanDerWaalsContact C-CG 3.48Å; L172-P387 WeakPolarHBondContact O-CG 3.39Å |
| 173 | G | 95.2 | Very high | 96.2 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 37% | 0.371 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 20.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | D169 G171 | D169-G173 WeakPolarHBondContact OD2-CA 3.35Å; D169-G173 PolarHBondContact OD2-N 2.99Å; G171-G173 PolarHBondContact O-N 3.2Å |
| 174 | R | 96.9 | Very high | 96.2 | Very high | 95 Ų | 95 | 52.4 Ų | 52.4 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | trans | -90 | -24.4 | -172.1 | -65.9 | 169.1 | -176.7 | 164.9 | -5 | 114.3 | G171 L172 S391 T394 H395 | G171-R174 WeakPolarHBondContact O-CB 3.24Å; G171-R174 WeakPolarHBondContact O-CG 3.26Å; G171-R174 PolarHBondContact O-N 3.44Å; L172-R174 HydrophobicContact CB-CG 4.37Å; L172-R174 VanDerWaalsContact CD1-NH2 3.26Å; L172-R174 PolarHBondContact O-N 2.77Å; R174-S391 PolarHBondContact NH2-O 3.29Å; R174-T394 VanDerWaalsContact CZ-O 3.32Å; R174-T394 PolarHBondContact NH1-O 2.79Å; R174-T394 PolarHBondContact NH2-O 3.35Å; R174-T394 PolarHBondContact NH2-OG1 2.89Å; R174-H395 PolarHBondContact NH1-CD2 2.96Å | ||
| 175 | Q | 97.9 | Very high | 96.2 | Very high | 85 Ų | 85 | 53.6 Ų | 53.6 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -101.8 | 158.8 | -178 | -68.5 | -84.2 | 79.5 | 0 | 0 | 110.4 | H179 I190 | Q175-H179 HydrophobicContact CB-CB 3.7Å; Q175-H179 HydrophobicContact CG-CB 4.35Å; Q175-H179 PolarHBondContact NE2-ND1 3.19Å; Q175-I190 PolarHBondContact NE2-O 3.47Å |
| 176 | M | 98.2 | Very high | 96.2 | Very high | 88 Ų | 88 | 54.6 Ų | 54.6 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 149.7 | 171.2 | -169.4 | 175.3 | -62.1 | 0 | 0 | 110.6 | F115 Q162 H179 | F115-M176 HydrophobicContact CB-CG 4Å; F115-M176 HydrophobicContact CB-SD 4.2Å; F115-M176 HydrophobicContact CD1-CG 3.82Å; F115-M176 HydrophobicContact CD1-SD 3.57Å; F115-M176 VanDerWaalsContact CD1-SD 3.57Å; F115-M176 HydrophobicContact CD2-SD 4.26Å; F115-M176 HydrophobicContact CE1-SD 3.88Å; F115-M176 HydrophobicContact CG-CG 4.08Å; F115-M176 HydrophobicContact CG-SD 3.76Å; F115-M176 HydrophobicContact CZ-SD 4.36Å; Q162-M176 PolarHBondContact NE2-O 2.91Å; M176-H179 VanDerWaalsContact O-CB 3.27Å; M176-H179 WeakPolarHBondContact O-CB 3.42Å; M176-H179 PolarHBondContact O-N 3.49Å |
| 177 | P | 98.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 5% | 0.045 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 148.1 | 169.1 | -30.7 | 37.3 | 0 | 0 | 0 | 112.3 | S114 F115 C163 H179 | S114-P177 WeakPolarHBondContact OG-CD 3.45Å; S114-P177 VanDerWaalsContact OG-CG 3.31Å; S114-P177 WeakPolarHBondContact OG-CG 3.24Å; F115-P177 HydrophobicContact CB-CB 4.4Å; F115-P177 HydrophobicContact CB-CG 4.29Å; F115-P177 WeakPolarHBondContact O-CB 3.37Å; C163-P177 HydrophobicContact CB-CB 4.33Å; C163-P177 WeakPolarHBondContact O-CG 3.43Å; P177-H179 PolarHBondContact O-N 2.9Å |
| 178 | V | 98.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -1.9 | -177.4 | -167.4 | 0 | 0 | 0 | 0 | 114 | Y116 Y143 Y180 I190 | Y116-V178 HydrophobicContact CD2-CG2 3.56Å; Y116-V178 HydrophobicContact CE2-CG2 3.76Å; Y116-V178 HydrophobicContact CG-CG2 4.3Å; Y143-V178 WeakPolarHBondContact O-CG1 3.12Å; V178-Y180 HydrophobicContact CB-CE2 4.26Å; V178-Y180 HydrophobicContact CG1-CD2 4.48Å; V178-Y180 HydrophobicContact CG1-CE2 3.9Å; V178-Y180 PolarHBondContact O-N 2.89Å; V178-I190 WeakPolarHBondContact O-CD1 3.4Å |
| 179 | H | 98.5 | Very high | 97 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 9% | 0.093 | 28% | 0.284 | C | S | . | . | trans | -84.1 | 60.4 | 169.9 | -72.4 | -149 | 0 | 0 | 0 | 112 | Q175 M176 P177 I190 S192 | Q175-H179 HydrophobicContact CB-CB 3.7Å; Q175-H179 HydrophobicContact CG-CB 4.35Å; Q175-H179 PolarHBondContact NE2-ND1 3.19Å; M176-H179 VanDerWaalsContact O-CB 3.27Å; M176-H179 WeakPolarHBondContact O-CB 3.42Å; M176-H179 PolarHBondContact O-N 3.49Å; P177-H179 PolarHBondContact O-N 2.9Å; H179-I190 HydrophobicContact CB-CB 4.38Å; H179-I190 HydrophobicContact CB-CG2 4.45Å; H179-S192 PolarHBondContact CE1-N 3.48Å | ||
| 180 | Y | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | trans | -68.5 | 156 | -178.7 | -50.7 | -57.3 | 0 | 0 | 0 | 112.3 | L146 L149 L159 Q162 C163 V178 T189 I190 | L146-Y180 HydrophobicContact CD1-CE2 4.18Å; L149-Y180 VanDerWaalsContact CD1-CB 3.43Å; L149-Y180 HydrophobicContact CD1-CD2 3.93Å; L149-Y180 HydrophobicContact CD1-CG 3.88Å; L159-Y180 HydrophobicContact CD2-CE1 4.1Å; L159-Y180 WeakPolarHBondContact CD2-OH 3.34Å; L159-Y180 HydrophobicContact CG-CE1 3.86Å; Q162-Y180 HydrophobicContact CB-CD1 4.07Å; Q162-Y180 HydrophobicContact CB-CE1 4.15Å; Q162-Y180 HydrophobicContact CG-CD1 3.96Å; Q162-Y180 HydrophobicContact CG-CE1 4.33Å; C163-Y180 PolarHBondContact SG-OH 2.95Å; V178-Y180 HydrophobicContact CB-CE2 4.26Å; V178-Y180 HydrophobicContact CG1-CD2 4.48Å; V178-Y180 HydrophobicContact CG1-CE2 3.9Å; V178-Y180 PolarHBondContact O-N 2.89Å; Y180-T189 WeakPolarHBondContact O-CA 3.36Å; Y180-I190 PolarHBondContact O-N 2.6Å | ||
| 181 | G | 97.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 50 Ų | 50 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | trans | -161.4 | 143.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 182 | S | 97.7 | Very high | 97.7 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -152.1 | 112.8 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | E184 K185 N186 Y187 | S182-E184 VanDerWaalsContact C-N 3.3Å; S182-E184 PolarHBondContact O-N 2.74Å; S182-E184 PolarHBondContact OG-N 3.01Å; S182-K185 PolarHBondContact O-N 3.03Å; S182-K185 PolarHBondContact OG-N 2.97Å; S182-N186 PolarHBondContact O-N 3.43Å; S182-Y187 CarbonylContact C-O 3.57Å; S182-Y187 PolarHBondContact N-O 2.87Å; S182-Y187 PolarHBondContact O-N 3.38Å; S182-Y187 VanDerWaalsContact O-O 3.12Å |
| 183 | K | 96.9 | Very high | 97.9 | Very high | 202 Ų | 202 | 54.6 Ų | 54.6 | 88% | 0.878 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -40.2 | 172 | -175.8 | 178.4 | 179.3 | 179.4 | 0 | 111.6 | K185 N186 | K183-K185 VanDerWaalsContact C-N 3.33Å; K183-K185 PolarHBondContact O-N 2.78Å; K183-N186 PolarHBondContact O-N 2.92Å |
| 184 | E | 96.8 | Very high | 98 | Very high | 150 Ų | 150 | 55.5 Ų | 55.5 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -41.1 | -179.9 | -171.2 | -160.2 | 137.8 | 0 | 0 | 111.5 | S182 N186 | S182-E184 VanDerWaalsContact C-N 3.3Å; S182-E184 PolarHBondContact O-N 2.74Å; S182-E184 PolarHBondContact OG-N 3.01Å; E184-N186 VanDerWaalsContact C-N 3.29Å; E184-N186 PolarHBondContact O-N 3Å |
| 185 | K | 97.8 | Very high | 98.1 | Very high | 42 Ų | 42 | 51 Ų | 51 | 18% | 0.183 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 16.4 | -178.7 | -53.4 | -47.2 | -170.2 | -171.6 | 0 | 113.3 | R152 Y154 S182 K183 Y187 | R152-K185 HydrophobicContact CB-CB 4.14Å; R152-K185 HydrophobicContact CB-CD 4.27Å; R152-K185 HydrophobicContact CB-CG 4.37Å; R152-K185 WeakPolarHBondContact CD-O 3.5Å; R152-K185 PolarHBondContact NH1-O 3.07Å; R152-K185 WeakPolarHBondContact O-CD 3.45Å; R152-K185 WeakPolarHBondContact O-CE 3.48Å; R152-K185 PolarHBondContact O-NZ 2.91Å; Y154-K185 HydrophobicContact CD2-CG 4.15Å; S182-K185 PolarHBondContact O-N 3.03Å; S182-K185 PolarHBondContact OG-N 2.97Å; K183-K185 VanDerWaalsContact C-N 3.33Å; K183-K185 PolarHBondContact O-N 2.78Å; K185-Y187 PolarHBondContact O-N 3.47Å |
| 186 | N | 98.2 | Very high | 98.1 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 47.5 | -176.2 | -64.7 | -59.4 | 0 | 0 | 0 | 112.5 | D135 L138 I139 R152 S182 K183 E184 | D135-N186 PolarHBondContact O-ND2 3.12Å; L138-N186 HydrophobicContact CD1-CB 4.04Å; I139-N186 PolarHBondContact N-O 3.29Å; R152-N186 PolarHBondContact NH1-O 2.74Å; S182-N186 PolarHBondContact O-N 3.43Å; K183-N186 PolarHBondContact O-N 2.92Å; E184-N186 VanDerWaalsContact C-N 3.29Å; E184-N186 PolarHBondContact O-N 3Å |
| 187 | Y | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -123.4 | 109.7 | -179.3 | -168.4 | -75.6 | 0 | 0 | 0 | 109 | I139 A141 E145 P148 L149 S182 K185 I190 | I139-Y187 HydrophobicContact CB-CD2 4.08Å; I139-Y187 HydrophobicContact CG2-CD2 3.78Å; I139-Y187 HydrophobicContact CG2-CE2 3.88Å; A141-Y187 HydrophobicContact CB-CE1 3.77Å; A141-Y187 HydrophobicContact CB-CE2 4.11Å; A141-Y187 WeakPolarHBondContact CB-OH 3.49Å; E145-Y187 HydrophobicContact CB-CE2 4.36Å; E145-Y187 VanDerWaalsContact CB-OH 3.27Å; E145-Y187 WeakPolarHBondContact CB-OH 3.44Å; E145-Y187 WeakPolarHBondContact O-CE2 3.28Å; E145-Y187 PolarHBondContact O-OH 2.9Å; P148-Y187 HydrophobicContact CB-CD2 4.19Å; P148-Y187 HydrophobicContact CB-CE2 4Å; P148-Y187 HydrophobicContact CG-CE2 4.37Å; L149-Y187 HydrophobicContact CD1-CD1 4.45Å; L149-Y187 HydrophobicContact CD1-CE1 4.17Å; L149-Y187 HydrophobicContact CD1-CE2 4.33Å; L149-Y187 HydrophobicContact CD2-CD1 4.11Å; L149-Y187 HydrophobicContact CD2-CD2 3.88Å; L149-Y187 HydrophobicContact CD2-CE2 4.37Å; L149-Y187 HydrophobicContact CD2-CG 3.7Å; L149-Y187 HydrophobicContact CG-CD1 4.37Å; L149-Y187 HydrophobicContact CG-CD2 3.85Å; L149-Y187 HydrophobicContact CG-CE1 4.38Å; L149-Y187 HydrophobicContact CG-CE2 3.84Å; L149-Y187 HydrophobicContact CG-CG 4.09Å; S182-Y187 CarbonylContact C-O 3.57Å; S182-Y187 PolarHBondContact N-O 2.87Å; S182-Y187 PolarHBondContact O-N 3.38Å; S182-Y187 VanDerWaalsContact O-O 3.12Å; K185-Y187 PolarHBondContact O-N 3.47Å; Y187-I190 HydrophobicContact CE1-CD1 4.02Å; Y187-I190 HydrophobicContact CE1-CG1 4.1Å |
| 188 | V | 98.6 | Very high | 98.2 | Very high | 45 Ų | 45 | 44.2 Ų | 44.2 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 136.6 | -176.4 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | L138 I139 F140 I190 | L138-V188 HydrophobicContact CD1-CG2 3.82Å; L138-V188 HydrophobicContact CD2-CG2 3.98Å; L138-V188 HydrophobicContact CG-CG2 3.86Å; I139-V188 PolarHBondContact O-N 3.36Å; F140-V188 HydrophobicContact CD1-CB 4.02Å; F140-V188 HydrophobicContact CD1-CG1 4.06Å; F140-V188 HydrophobicContact CD1-CG2 3.97Å; F140-V188 HydrophobicContact CD2-CG2 4.36Å; F140-V188 HydrophobicContact CE1-CB 4.17Å; F140-V188 HydrophobicContact CE1-CG1 4.01Å; F140-V188 HydrophobicContact CE1-CG2 3.75Å; F140-V188 HydrophobicContact CE2-CG2 4.15Å; F140-V188 HydrophobicContact CG-CB 4.46Å; F140-V188 HydrophobicContact CG-CG2 4.28Å; F140-V188 HydrophobicContact CZ-CG2 3.84Å; V188-I190 PolarHBondContact O-N 2.54Å |
| 189 | T | 98.6 | Very high | 98.2 | Very high | 84 Ų | 84 | 45.9 Ų | 45.9 | 52% | 0.515 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 128.7 | -178.5 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | Y180 | Y180-T189 WeakPolarHBondContact O-CA 3.36Š|
| 190 | I | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 142.9 | 179.9 | -68.9 | 162.8 | 0 | 0 | 0 | 111.5 | A141 Q142 Q175 V178 H179 Y180 Y187 V188 | A141-I190 HydrophobicContact CB-CD1 4.1Å; A141-I190 HydrophobicContact CB-CG1 3.82Å; Q142-I190 WeakPolarHBondContact O-CG2 3.36Å; Q175-I190 PolarHBondContact NE2-O 3.47Å; V178-I190 WeakPolarHBondContact O-CD1 3.4Å; H179-I190 HydrophobicContact CB-CB 4.38Å; H179-I190 HydrophobicContact CB-CG2 4.45Å; Y180-I190 PolarHBondContact O-N 2.6Å; Y187-I190 HydrophobicContact CE1-CD1 4.02Å; Y187-I190 HydrophobicContact CE1-CG1 4.1Å; V188-I190 PolarHBondContact O-N 2.54Å |
| 191 | S | 98 | Very high | 98.3 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | trans | -122 | 149.4 | 168.5 | 57.5 | 0 | 0 | 0 | 0 | 111 | T193 | S191-T193 VanDerWaalsContact C-N 3.34Å; S191-T193 PolarHBondContact O-N 2.76Å | ||
| 192 | S | 98 | Very high | 98.3 | Very high | 79 Ų | 79 | 49.4 Ų | 49.4 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -67.4 | -32.8 | -178.4 | -179.9 | 0 | 0 | 0 | 0 | 113.2 | H179 L194 | H179-S192 PolarHBondContact CE1-N 3.48Å; S192-L194 PolarHBondContact O-N 3.35Å |
| 193 | T | 98.3 | Very high | 98.4 | Very high | 93 Ų | 93 | 50.7 Ų | 50.7 | 57% | 0.571 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -67.1 | 116.4 | -176.7 | -45.4 | 0 | 0 | 0 | 0 | 110.9 | S191 T196 | S191-T193 VanDerWaalsContact C-N 3.34Å; S191-T193 PolarHBondContact O-N 2.76Å; T193-T196 HydrophobicContact CG2-CG2 3.51Å; T193-T196 PolarHBondContact O-OG1 2.91Å |
| 194 | L | 98.3 | Very high | 98.4 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 29% | 0.288 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 150.3 | -174.3 | -59.5 | -178.8 | 0 | 0 | 0 | 112.3 | Q142 Y143 S192 T196 A225 E228 | Q142-L194 HydrophobicContact CG-CD2 4.15Å; Y143-L194 HydrophobicContact CD1-CD2 4.42Å; Y143-L194 HydrophobicContact CE1-CD2 3.65Å; S192-L194 PolarHBondContact O-N 3.35Å; L194-T196 PolarHBondContact O-N 3.09Å; L194-A225 HydrophobicContact CB-CB 4.13Å; L194-E228 HydrophobicContact CB-CG 4.18Å |
| 195 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -13.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q197 M198 P199 E228 D230 | A195-Q197 VanDerWaalsContact CA-OE1 3.3Å; A195-Q197 PolarHBondContact O-N 2.73Å; A195-Q197 VanDerWaalsContact O-N 3.09Å; A195-M198 HydrophobicContact CB-CG 4.44Å; A195-M198 HydrophobicContact CB-SD 3.88Å; A195-M198 VanDerWaalsContact O-CB 3.24Å; A195-M198 WeakPolarHBondContact O-CB 3.33Å; A195-M198 WeakPolarHBondContact O-CG 3.48Å; A195-M198 PolarHBondContact O-N 2.87Å; A195-P199 VanDerWaalsContact O-CD 3.3Å; A195-P199 WeakPolarHBondContact O-CD 3.47Å; A195-E228 HydrophobicContact CB-CB 3.52Å; A195-E228 HydrophobicContact CB-CG 3.96Å; A195-D230 HydrophobicContact CB-CB 3.96Å |
| 196 | T | 98.7 | Very high | 98.6 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 17% | 0.172 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.7 | 179.7 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | T193 L194 M198 P199 Q200 D230 | T193-T196 HydrophobicContact CG2-CG2 3.51Å; T193-T196 PolarHBondContact O-OG1 2.91Å; L194-T196 PolarHBondContact O-N 3.09Å; T196-M198 VanDerWaalsContact C-N 3.27Å; T196-M198 PolarHBondContact O-N 3.16Å; T196-P199 WeakPolarHBondContact O-CD 3.39Å; T196-Q200 VanDerWaalsContact O-CD 3.24Å; T196-Q200 VanDerWaalsContact O-CG 3.26Å; T196-Q200 WeakPolarHBondContact O-CG 3.28Å; T196-Q200 PolarHBondContact O-NE2 2.88Å; T196-Q200 VanDerWaalsContact O-NE2 3.08Å; T196-D230 WeakPolarHBondContact CA-OD2 3.23Å |
| 197 | Q | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.6 | -20.1 | 176.7 | 81.9 | -72.8 | 4.4 | 0 | 0 | 113.2 | F140 A195 Q200 A201 Y220 | F140-Q197 HydrophobicContact CB-CB 4.18Å; F140-Q197 HydrophobicContact CB-CG 4.06Å; F140-Q197 HydrophobicContact CD1-CB 4.19Å; A195-Q197 VanDerWaalsContact CA-OE1 3.3Å; A195-Q197 PolarHBondContact O-N 2.73Å; A195-Q197 VanDerWaalsContact O-N 3.09Å; Q197-Q200 PolarHBondContact O-N 2.83Å; Q197-A201 WeakPolarHBondContact O-CB 3.2Å; Q197-A201 PolarHBondContact O-N 2.94Å; Q197-Y220 PolarHBondContact NE2-O 2.75Å |
| 198 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -56.4 | -176.9 | -59.1 | 179.3 | 68.3 | 0 | 0 | 112.6 | A195 T196 Q200 A201 V202 F221 C231 A234 F235 F247 | A195-M198 HydrophobicContact CB-CG 4.44Å; A195-M198 HydrophobicContact CB-SD 3.88Å; A195-M198 VanDerWaalsContact O-CB 3.24Å; A195-M198 WeakPolarHBondContact O-CB 3.33Å; A195-M198 WeakPolarHBondContact O-CG 3.48Å; A195-M198 PolarHBondContact O-N 2.87Å; T196-M198 VanDerWaalsContact C-N 3.27Å; T196-M198 PolarHBondContact O-N 3.16Å; M198-Q200 PolarHBondContact O-N 3.41Å; M198-A201 WeakPolarHBondContact O-CB 3.15Å; M198-A201 PolarHBondContact O-N 2.9Å; M198-V202 WeakPolarHBondContact O-CG2 3.46Å; M198-V202 PolarHBondContact O-N 2.84Å; M198-F221 HydrophobicContact CE-CD1 3.81Å; M198-F221 HydrophobicContact CE-CD2 3.98Å; M198-F221 HydrophobicContact CE-CE1 3.79Å; M198-F221 HydrophobicContact CE-CE2 3.91Å; M198-F221 HydrophobicContact CE-CG 3.93Å; M198-F221 HydrophobicContact CE-CZ 3.82Å; M198-F221 HydrophobicContact SD-CB 4.09Å; M198-F221 HydrophobicContact SD-CD1 4.18Å; M198-F221 HydrophobicContact SD-CD2 4.07Å; M198-F221 HydrophobicContact SD-CG 3.85Å; M198-C231 HydrophobicContact CE-CB 3.94Å; M198-C231 HydrophobicContact SD-CB 3.86Å; M198-A234 HydrophobicContact CB-CB 3.6Å; M198-F235 HydrophobicContact CE-CD1 4.32Å; M198-F235 HydrophobicContact CE-CE1 3.65Å; M198-F235 HydrophobicContact CE-CZ 4.13Å; M198-F247 HydrophobicContact CE-CD1 4.14Å; M198-F247 HydrophobicContact CE-CE1 4.39Å |
| 199 | P | 98.8 | Very high | 98.4 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66 | -28.1 | 176.1 | 25.7 | -34.2 | 0 | 0 | 0 | 112.2 | A195 T196 V202 G203 D230 A234 | A195-P199 VanDerWaalsContact O-CD 3.3Å; A195-P199 WeakPolarHBondContact O-CD 3.47Å; T196-P199 WeakPolarHBondContact O-CD 3.39Å; P199-V202 WeakPolarHBondContact O-CB 3.22Å; P199-V202 PolarHBondContact O-N 3.13Å; P199-G203 PolarHBondContact O-N 3.29Å; P199-D230 HydrophobicContact CG-CB 4.12Å; P199-A234 HydrophobicContact CB-CB 4.47Å |
| 200 | Q | 98.8 | Very high | 98.4 | Very high | 103 Ų | 103 | 41.3 Ų | 41.3 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65 | -42 | 173.8 | -63 | 170.6 | 22.3 | 0 | 0 | 111.8 | F140 T196 Q197 M198 V202 G203 S204 | F140-Q200 HydrophobicContact CD1-CB 4.4Å; F140-Q200 HydrophobicContact CE1-CB 3.92Å; T196-Q200 VanDerWaalsContact O-CD 3.24Å; T196-Q200 VanDerWaalsContact O-CG 3.26Å; T196-Q200 WeakPolarHBondContact O-CG 3.28Å; T196-Q200 PolarHBondContact O-NE2 2.88Å; T196-Q200 VanDerWaalsContact O-NE2 3.08Å; Q197-Q200 PolarHBondContact O-N 2.83Å; M198-Q200 PolarHBondContact O-N 3.41Å; Q200-V202 VanDerWaalsContact C-N 3.28Å; Q200-V202 PolarHBondContact O-N 2.88Å; Q200-G203 PolarHBondContact O-N 3.24Å; Q200-S204 PolarHBondContact O-N 3.39Å |
| 201 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F140 Q197 M198 S204 A205 C219 V245 | F140-A201 HydrophobicContact CB-CB 4.12Å; F140-A201 HydrophobicContact CD1-CB 4.22Å; F140-A201 HydrophobicContact CD2-CB 3.45Å; F140-A201 VanDerWaalsContact CD2-CB 3.45Å; F140-A201 VanDerWaalsContact CE2-CA 3.49Å; F140-A201 HydrophobicContact CE2-CB 3.8Å; F140-A201 HydrophobicContact CG-CB 3.67Å; F140-A201 HydrophobicContact CZ-CB 4.33Å; Q197-A201 WeakPolarHBondContact O-CB 3.2Å; Q197-A201 PolarHBondContact O-N 2.94Å; M198-A201 WeakPolarHBondContact O-CB 3.15Å; M198-A201 PolarHBondContact O-N 2.9Å; A201-S204 PolarHBondContact O-N 3.29Å; A201-A205 WeakPolarHBondContact O-CB 3.27Å; A201-A205 PolarHBondContact O-N 3.16Å; A201-C219 HydrophobicContact CB-CB 3.72Å; A201-V245 HydrophobicContact CB-CG2 4.43Å |
| 202 | V | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 174.3 | -180 | 0 | 0 | 0 | 0 | 111.4 | M198 P199 Q200 S204 A205 Y206 A234 F237 A238 C243 F247 | M198-V202 WeakPolarHBondContact O-CG2 3.46Å; M198-V202 PolarHBondContact O-N 2.84Å; P199-V202 WeakPolarHBondContact O-CB 3.22Å; P199-V202 PolarHBondContact O-N 3.13Å; Q200-V202 VanDerWaalsContact C-N 3.28Å; Q200-V202 PolarHBondContact O-N 2.88Å; V202-S204 PolarHBondContact O-N 3.17Å; V202-A205 PolarHBondContact O-N 3.42Å; V202-Y206 WeakPolarHBondContact O-CB 3.47Å; V202-Y206 PolarHBondContact O-N 3.06Å; V202-A234 HydrophobicContact CG2-CB 4.07Å; V202-F237 HydrophobicContact CG1-CB 3.97Å; V202-A238 HydrophobicContact CG1-CB 4.24Å; V202-A238 HydrophobicContact CG2-CB 3.96Å; V202-C243 HydrophobicContact CG1-CB 4.33Å; V202-F247 HydrophobicContact CG2-CE1 4.12Å; V202-F247 HydrophobicContact CG2-CZ 3.57Å |
| 203 | G | 98.6 | Very high | 98.2 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P199 Q200 Y206 I207 | P199-G203 PolarHBondContact O-N 3.29Å; Q200-G203 PolarHBondContact O-N 3.24Å; G203-Y206 WeakPolarHBondContact O-CB 3.46Å; G203-Y206 PolarHBondContact O-N 2.98Å; G203-I207 PolarHBondContact O-N 3.06Å |
| 204 | S | 98.5 | Very high | 98.1 | Very high | 27 Ų | 27 | 54.4 Ų | 54.4 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 176.4 | -168.7 | 0 | 0 | 0 | 0 | 113 | L138 Q200 A201 V202 Y206 I207 S208 | L138-S204 WeakPolarHBondContact CD2-OG 3.38Å; Q200-S204 PolarHBondContact O-N 3.39Å; A201-S204 PolarHBondContact O-N 3.29Å; V202-S204 PolarHBondContact O-N 3.17Å; S204-Y206 VanDerWaalsContact C-N 3.31Å; S204-Y206 PolarHBondContact O-N 3.21Å; S204-I207 WeakPolarHBondContact O-CG2 3.37Å; S204-I207 PolarHBondContact O-N 2.89Å; S204-S208 PolarHBondContact O-N 3.2Å; S204-S208 PolarHBondContact O-OG 3.2Å |
| 205 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A201 V202 S208 K209 S217 C243 P244 V245 | A201-A205 WeakPolarHBondContact O-CB 3.27Å; A201-A205 PolarHBondContact O-N 3.16Å; V202-A205 PolarHBondContact O-N 3.42Å; A205-S208 WeakPolarHBondContact O-CB 3.46Å; A205-S208 PolarHBondContact O-N 3.25Å; A205-K209 PolarHBondContact O-N 3.05Å; A205-S217 PolarHBondContact N-OG 3.23Å; A205-C243 HydrophobicContact CB-CB 3.97Å; A205-P244 HydrophobicContact CB-CG 4.07Å; A205-P244 WeakPolarHBondContact CB-O 3.5Å; A205-P244 VanDerWaalsContact O-CD 3.28Å; A205-P244 WeakPolarHBondContact O-CD 3.46Å; A205-P244 VanDerWaalsContact O-CG 3.29Å; A205-P244 WeakPolarHBondContact O-CG 3.06Å; A205-V245 HydrophobicContact CB-CB 3.88Å |
| 206 | Y | 98.6 | Very high | 98 | Very high | 81 Ų | 81 | 54.8 Ų | 54.8 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 178.6 | -172 | -106.5 | 0 | 0 | 0 | 112.1 | V202 G203 S204 K209 L210 L241 | V202-Y206 WeakPolarHBondContact O-CB 3.47Å; V202-Y206 PolarHBondContact O-N 3.06Å; G203-Y206 WeakPolarHBondContact O-CB 3.46Å; G203-Y206 PolarHBondContact O-N 2.98Å; S204-Y206 VanDerWaalsContact C-N 3.31Å; S204-Y206 PolarHBondContact O-N 3.21Å; Y206-K209 WeakPolarHBondContact O-CB 3.45Å; Y206-K209 PolarHBondContact O-N 3.22Å; Y206-L210 HydrophobicContact CD1-CD1 3.9Å; Y206-L210 HydrophobicContact CD1-CG 4.29Å; Y206-L210 HydrophobicContact CE1-CD1 3.53Å; Y206-L210 HydrophobicContact CE1-CD2 4.41Å; Y206-L210 HydrophobicContact CE1-CG 4.03Å; Y206-L210 WeakPolarHBondContact O-CG 3.39Å; Y206-L210 PolarHBondContact O-N 2.99Å; Y206-L241 HydrophobicContact CD2-CB 3.8Å; Y206-L241 HydrophobicContact CD2-CD1 4.07Å; Y206-L241 HydrophobicContact CD2-CG 4.4Å; Y206-L241 HydrophobicContact CE2-CB 3.84Å; Y206-L241 HydrophobicContact CE2-CD1 4.16Å; Y206-L241 HydrophobicContact CE2-CD2 3.99Å; Y206-L241 HydrophobicContact CE2-CG 4.23Å |
| 207 | I | 98 | Very high | 98 | Very high | 81 Ų | 81 | 53.4 Ų | 53.4 | 42% | 0.415 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.9 | -36 | 176 | -169.1 | 60.3 | 0 | 0 | 0 | 112 | G203 S204 K209 L210 N211 | G203-I207 PolarHBondContact O-N 3.06Å; S204-I207 WeakPolarHBondContact O-CG2 3.37Å; S204-I207 PolarHBondContact O-N 2.89Å; I207-K209 VanDerWaalsContact C-N 3.3Å; I207-K209 PolarHBondContact O-N 2.92Å; I207-L210 HydrophobicContact CD1-CB 4.43Å; I207-L210 HydrophobicContact CD1-CD1 4.33Å; I207-L210 PolarHBondContact O-N 3.43Å; I207-N211 WeakPolarHBondContact O-CB 3.48Å; I207-N211 PolarHBondContact O-N 3.43Å; I207-N211 PolarHBondContact O-ND2 2.9Å |
| 208 | S | 97 | Very high | 98 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -43 | 173.9 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | S204 A205 N211 K212 Q213 | S204-S208 PolarHBondContact O-N 3.2Å; S204-S208 PolarHBondContact O-OG 3.2Å; A205-S208 WeakPolarHBondContact O-CB 3.46Å; A205-S208 PolarHBondContact O-N 3.25Å; S208-N211 CarbonylContact O-C 3.42Å; S208-N211 PolarHBondContact O-N 3.34Å; S208-K212 PolarHBondContact O-N 3.43Å; S208-K212 VanDerWaalsContact O-N 3.16Å; S208-Q213 PolarHBondContact O-N 3.31Å |
| 209 | K | 97.7 | Very high | 98.1 | Very high | 78 Ų | 78 | 53 Ų | 53 | 34% | 0.339 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 174.3 | -173.5 | -169 | 68.3 | 168.7 | 0 | 112.5 | A205 Y206 I207 N211 K212 L241 R242 P244 | A205-K209 PolarHBondContact O-N 3.05Å; Y206-K209 WeakPolarHBondContact O-CB 3.45Å; Y206-K209 PolarHBondContact O-N 3.22Å; I207-K209 VanDerWaalsContact C-N 3.3Å; I207-K209 PolarHBondContact O-N 2.92Å; K209-N211 PolarHBondContact O-N 3.49Å; K209-K212 PolarHBondContact O-N 2.64Å; K209-L241 PolarHBondContact NZ-O 3.11Å; K209-R242 WeakPolarHBondContact CD-O 3.36Å; K209-P244 HydrophobicContact CB-CG 4.1Å |
| 210 | L | 97.8 | Very high | 98.1 | Very high | 95 Ų | 95 | 51 Ų | 51 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.4 | -37.7 | 178.6 | -71.4 | -179.1 | 0 | 0 | 0 | 111.8 | Y206 I207 K212 | Y206-L210 HydrophobicContact CD1-CD1 3.9Å; Y206-L210 HydrophobicContact CD1-CG 4.29Å; Y206-L210 HydrophobicContact CE1-CD1 3.53Å; Y206-L210 HydrophobicContact CE1-CD2 4.41Å; Y206-L210 HydrophobicContact CE1-CG 4.03Å; Y206-L210 WeakPolarHBondContact O-CG 3.39Å; Y206-L210 PolarHBondContact O-N 2.99Å; I207-L210 HydrophobicContact CD1-CB 4.43Å; I207-L210 HydrophobicContact CD1-CD1 4.33Å; I207-L210 PolarHBondContact O-N 3.43Å; L210-K212 PolarHBondContact O-N 3.48Å |
| 211 | N | 97.5 | Very high | 98.1 | Very high | 96 Ų | 96 | 46.1 Ų | 46.1 | 51% | 0.513 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 4 | 176.8 | -68.1 | -23.1 | 0 | 0 | 0 | 113.9 | I207 S208 K209 Q213 | I207-N211 WeakPolarHBondContact O-CB 3.48Å; I207-N211 PolarHBondContact O-N 3.43Å; I207-N211 PolarHBondContact O-ND2 2.9Å; S208-N211 CarbonylContact O-C 3.42Å; S208-N211 PolarHBondContact O-N 3.34Å; K209-N211 PolarHBondContact O-N 3.49Å; N211-Q213 HydrophobicContact CB-CG 3.94Å; N211-Q213 PolarHBondContact O-N 2.98Å |
| 212 | K | 96.4 | Very high | 98 | Very high | 195 Ų | 195 | 46.4 Ų | 46.4 | 85% | 0.848 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 38.6 | -178.8 | -55.3 | 179.7 | -178.5 | 178.7 | 0 | 113.3 | S208 K209 L210 | S208-K212 PolarHBondContact O-N 3.43Å; S208-K212 VanDerWaalsContact O-N 3.16Å; K209-K212 PolarHBondContact O-N 2.64Å; L210-K212 PolarHBondContact O-N 3.48Å |
| 213 | Q | 96.3 | Very high | 98 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 41% | 0.411 | 23% | 0.234 | S | C | . | . | trans | -83 | 137.4 | 178 | -64.8 | 177.2 | -33.4 | 0 | 0 | 110.3 | S208 N211 R215 | S208-Q213 PolarHBondContact O-N 3.31Å; N211-Q213 HydrophobicContact CB-CG 3.94Å; N211-Q213 PolarHBondContact O-N 2.98Å; Q213-R215 HydrophobicContact CB-CB 4.13Å; Q213-R215 PolarHBondContact O-N 3.4Å | ||
| 214 | D | 96.4 | Very high | 98 | Very high | 115 Ų | 115 | 45 Ų | 45 | 62% | 0.615 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -78.4 | 63 | 170.3 | -175.3 | 24.6 | 0 | 0 | 0 | 110.5 | R299 L303 | D214-R299 PolarHBondContact O-NH2 3.47Å; D214-R299 IonicContact OD1-NH2 2.74Å; D214-L303 WeakPolarHBondContact OD1-CD1 3.36Å; D214-L303 VanDerWaalsContact OD1-CD2 3.31Å; D214-L303 WeakPolarHBondContact OD1-CD2 3.41Å |
| 215 | R | 97 | Very high | 98 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 24% | 0.238 | 21% | 0.212 | C | C | . | . | trans | -141.5 | 134.3 | -171.7 | -178.5 | -175 | -73.8 | -152.3 | -13 | 110.1 | E136 Q213 | E136-R215 VanDerWaalsContact O-CD 3.28Å; E136-R215 WeakPolarHBondContact O-CD 3.46Å; E136-R215 WeakPolarHBondContact O-CG 3.47Å; E136-R215 PolarHBondContact O-NE 2.92Å; E136-R215 PolarHBondContact O-NH2 3.31Å; Q213-R215 HydrophobicContact CB-CB 4.13Å; Q213-R215 PolarHBondContact O-N 3.4Å | ||
| 216 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -105.4 | 159 | 170.1 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | L133 D137 L138 P244 I246 R299 A302 L303 | L133-V216 HydrophobicContact CD2-CG2 4.1Å; D137-V216 WeakPolarHBondContact CA-O 3.5Å; D137-V216 HydrophobicContact CB-CG2 4.03Å; D137-V216 WeakPolarHBondContact OD1-CG2 3.34Å; D137-V216 PolarHBondContact OD1-N 2.89Å; L138-V216 PolarHBondContact N-O 3.18Å; V216-P244 VanDerWaalsContact CA-O 3.3Å; V216-P244 WeakPolarHBondContact CA-O 3.4Å; V216-P244 WeakPolarHBondContact CB-O 3.13Å; V216-P244 HydrophobicContact CG1-CB 4.29Å; V216-I246 HydrophobicContact CG2-CD1 4.11Å; V216-R299 HydrophobicContact CG1-CG 4Å; V216-R299 HydrophobicContact CG2-CG 3.96Å; V216-A302 HydrophobicContact CG1-CB 3.88Å; V216-L303 HydrophobicContact CG1-CD1 4.48Å; V216-L303 HydrophobicContact CG1-CD2 3.74Å; V216-L303 HydrophobicContact CG1-CG 3.68Å | ||
| 217 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.5 | 160.5 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | L138 A205 P244 V245 I246 | L138-S217 CarbonylContact O-C 3.59Å; L138-S217 VanDerWaalsContact O-CA 3.31Å; L138-S217 WeakPolarHBondContact O-CA 3.43Å; A205-S217 PolarHBondContact N-OG 3.23Å; S217-P244 PolarHBondContact N-O 3.23Å; S217-V245 CarbonylContact O-C 3.6Å; S217-V245 VanDerWaalsContact O-CA 3.29Å; S217-V245 WeakPolarHBondContact O-CA 3.19Å; S217-V245 WeakPolarHBondContact O-CG2 3.46Å; S217-I246 PolarHBondContact O-N 2.92Å |
| 218 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.3 | 169 | -172.4 | 148.3 | 0 | 0 | 0 | 109.1 | L133 L138 I139 F140 Y220 I246 F248 V295 | L133-L218 HydrophobicContact CD1-CB 3.91Å; L133-L218 HydrophobicContact CD1-CD1 3.95Å; L133-L218 HydrophobicContact CD1-CG 4.41Å; L133-L218 HydrophobicContact CD2-CB 4.38Å; L133-L218 HydrophobicContact CD2-CD1 4.06Å; L133-L218 HydrophobicContact CG-CD1 4.28Å; L138-L218 PolarHBondContact O-N 3.06Å; I139-L218 WeakPolarHBondContact CA-O 3.32Å; F140-L218 PolarHBondContact N-O 3.43Å; L218-Y220 HydrophobicContact CD2-CD1 4.02Å; L218-Y220 HydrophobicContact CD2-CD2 3.44Å; L218-Y220 VanDerWaalsContact CD2-CD2 3.44Å; L218-Y220 HydrophobicContact CD2-CE1 3.7Å; L218-Y220 HydrophobicContact CD2-CE2 3.11Å; L218-Y220 HydrophobicContact CD2-CG 3.9Å; L218-I246 WeakPolarHBondContact CA-O 3.27Å; L218-I246 HydrophobicContact CD1-CB 4.36Å; L218-I246 HydrophobicContact CD1-CD1 4.48Å; L218-I246 HydrophobicContact CD1-CG2 4.22Å; L218-I246 HydrophobicContact CG-CB 4.29Å; L218-I246 HydrophobicContact CG-CG2 4.46Å; L218-F248 HydrophobicContact CD2-CB 4.14Å; L218-F248 HydrophobicContact CG-CB 4.45Å; L218-V295 HydrophobicContact CD1-CG1 3.92Å |
| 219 | C | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 112.5 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | F140 A201 I246 F247 F248 | F140-C219 HydrophobicContact CB-CB 4.33Å; F140-C219 WeakPolarHBondContact O-CA 3.46Å; A201-C219 HydrophobicContact CB-CB 3.72Å; C219-I246 PolarHBondContact N-O 3.47Å; C219-F247 HydrophobicContact CB-CD1 4.15Å; C219-F248 PolarHBondContact O-N 2.95Å |
| 220 | Y | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 145.4 | 173.1 | -61.6 | -87.1 | 0 | 0 | 0 | 111.8 | S129 I139 F140 E145 P148 Q197 L218 F248 | S129-Y220 WeakPolarHBondContact CB-OH 3.41Å; S129-Y220 WeakPolarHBondContact OG-CE1 3.33Å; S129-Y220 PolarHBondContact OG-OH 3.24Å; I139-Y220 HydrophobicContact CG2-CD2 3.93Å; I139-Y220 HydrophobicContact CG2-CE2 3.64Å; F140-Y220 PolarHBondContact O-N 2.93Å; E145-Y220 HydrophobicContact CB-CD2 4.31Å; E145-Y220 HydrophobicContact CG-CD1 3.92Å; E145-Y220 HydrophobicContact CG-CD2 3.38Å; E145-Y220 HydrophobicContact CG-CE1 4.45Å; E145-Y220 HydrophobicContact CG-CE2 3.93Å; E145-Y220 HydrophobicContact CG-CG 3.35Å; E145-Y220 WeakPolarHBondContact OE1-CB 3.16Å; P148-Y220 HydrophobicContact CG-CE2 3.91Å; Q197-Y220 PolarHBondContact NE2-O 2.75Å; L218-Y220 HydrophobicContact CD2-CD1 4.02Å; L218-Y220 HydrophobicContact CD2-CD2 3.44Å; L218-Y220 VanDerWaalsContact CD2-CD2 3.44Å; L218-Y220 HydrophobicContact CD2-CE1 3.7Å; L218-Y220 HydrophobicContact CD2-CE2 3.11Å; L218-Y220 HydrophobicContact CD2-CG 3.9Å; Y220-F248 WeakPolarHBondContact CA-O 3.35Å; Y220-F248 HydrophobicContact CD1-CB 3.94Å; Y220-F248 AromaticContact CD1-CD1 3.66Å; Y220-F248 HydrophobicContact CD1-CD1 3.66Å; Y220-F248 HydrophobicContact CD1-CE1 4.45Å; Y220-F248 AromaticContact CD1-CG 3.97Å; Y220-F248 HydrophobicContact CD1-CG 3.97Å; Y220-F248 HydrophobicContact CE1-CB 4.24Å; Y220-F248 AromaticContact CE1-CD1 3.82Å; Y220-F248 HydrophobicContact CE1-CD1 3.82Å; Y220-F248 HydrophobicContact CE1-CE1 4.33Å; Y220-F248 AromaticContact CE1-CG 3.97Å; Y220-F248 HydrophobicContact CE1-CG 3.97Å |
| 221 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 156.2 | 171.9 | 59.1 | -74.4 | 0 | 0 | 0 | 110 | M198 A225 F235 F247 F248 C249 R250 V269 L309 | M198-F221 HydrophobicContact CE-CD1 3.81Å; M198-F221 HydrophobicContact CE-CD2 3.98Å; M198-F221 HydrophobicContact CE-CE1 3.79Å; M198-F221 HydrophobicContact CE-CE2 3.91Å; M198-F221 HydrophobicContact CE-CG 3.93Å; M198-F221 HydrophobicContact CE-CZ 3.82Å; M198-F221 HydrophobicContact SD-CB 4.09Å; M198-F221 HydrophobicContact SD-CD1 4.18Å; M198-F221 HydrophobicContact SD-CD2 4.07Å; M198-F221 HydrophobicContact SD-CG 3.85Å; F221-A225 HydrophobicContact CB-CB 4.29Å; F221-F235 HydrophobicContact CE2-CZ 4.24Å; F221-F235 HydrophobicContact CZ-CE1 4.1Å; F221-F235 AromaticContact CZ-CZ 3.84Å; F221-F235 HydrophobicContact CZ-CZ 3.84Å; F221-F247 HydrophobicContact CE1-CB 3.77Å; F221-F247 HydrophobicContact CE1-CD1 4.35Å; F221-F247 HydrophobicContact CZ-CB 4.23Å; F221-F248 PolarHBondContact N-O 2.91Å; F221-F248 VanDerWaalsContact N-O 3.16Å; F221-C249 HydrophobicContact CD2-CB 4.3Å; F221-C249 HydrophobicContact CE1-CB 4.15Å; F221-C249 HydrophobicContact CE2-CB 3.64Å; F221-C249 HydrophobicContact CZ-CB 3.54Å; F221-C249 CarbonylContact O-C 3.49Å; F221-C249 VanDerWaalsContact O-CA 3.32Å; F221-C249 WeakPolarHBondContact O-CA 3.46Å; F221-R250 PolarHBondContact O-N 3.06Å; F221-V269 HydrophobicContact CE2-CG1 4.01Å; F221-V269 HydrophobicContact CZ-CG1 4.34Å; F221-L309 HydrophobicContact CZ-CD1 3.92Å |
| 222 | G | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 41 Ų | 41 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 165.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | G224 A225 S226 R250 | G222-G224 VanDerWaalsContact C-N 3.26Å; G222-G224 PolarHBondContact O-N 3.42Å; G222-A225 PolarHBondContact O-N 3.21Å; G222-A225 VanDerWaalsContact O-N 3.13Å; G222-S226 PolarHBondContact O-N 2.89Å; G222-S226 VanDerWaalsContact O-N 3.17Å; G222-R250 WeakPolarHBondContact CA-O 3.35Å |
| 223 | D | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.011 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -41.9 | 173.3 | 53.6 | -81.2 | 0 | 0 | 0 | 112.3 | S226 R250 N251 N252 V260 Y264 | D223-S226 VanDerWaalsContact O-CB 3.26Å; D223-S226 WeakPolarHBondContact O-CB 3.41Å; D223-S226 PolarHBondContact O-N 3.11Å; D223-S226 PolarHBondContact O-OG 2.92Å; D223-R250 PolarHBondContact N-O 3.25Å; D223-N251 HydrophobicContact CB-CB 4.26Å; D223-N252 PolarHBondContact OD1-N 2.98Å; D223-N252 VanDerWaalsContact OD1-N 3.16Å; D223-N252 PolarHBondContact OD1-OD1 3.43Å; D223-V260 HydrophobicContact CB-CG1 4.37Å; D223-Y264 HydrophobicContact CB-CE1 4.44Å |
| 224 | G | 98.2 | Very high | 98.5 | Very high | 15 Ų | 15 | 29.2 Ų | 29.2 | 16% | 0.155 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -65.8 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G222 S226 S227 Q263 | G222-G224 VanDerWaalsContact C-N 3.26Å; G222-G224 PolarHBondContact O-N 3.42Å; G224-S226 PolarHBondContact O-N 3.01Å; G224-S227 WeakPolarHBondContact O-CB 3.45Å; G224-S227 PolarHBondContact O-N 3.17Å; G224-S227 VanDerWaalsContact O-N 3.15Å; G224-Q263 VanDerWaalsContact CA-NE2 3.28Å |
| 225 | A | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -67.7 | -19.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L194 F221 G222 S227 E228 | L194-A225 HydrophobicContact CB-CB 4.13Å; F221-A225 HydrophobicContact CB-CB 4.29Å; G222-A225 PolarHBondContact O-N 3.21Å; G222-A225 VanDerWaalsContact O-N 3.13Å; A225-S227 PolarHBondContact O-N 3.13Å; A225-E228 WeakPolarHBondContact O-CB 3.38Å; A225-E228 PolarHBondContact O-N 2.88Å |
| 226 | S | 98.4 | Very high | 98.7 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -66 | -16.9 | 174.8 | 84.2 | 0 | 0 | 0 | 0 | 113.4 | G222 D223 G224 C231 V269 R272 | G222-S226 PolarHBondContact O-N 2.89Å; G222-S226 VanDerWaalsContact O-N 3.17Å; D223-S226 VanDerWaalsContact O-CB 3.26Å; D223-S226 WeakPolarHBondContact O-CB 3.41Å; D223-S226 PolarHBondContact O-N 3.11Å; D223-S226 PolarHBondContact O-OG 2.92Å; G224-S226 PolarHBondContact O-N 3.01Å; S226-C231 WeakPolarHBondContact O-CB 3.47Å; S226-C231 PolarHBondContact O-SG 3.27Å; S226-V269 WeakPolarHBondContact OG-CG2 3.4Å; S226-R272 PolarHBondContact O-NH1 3.19Å; S226-R272 PolarHBondContact OG-NH1 3.2Å; S226-R272 PolarHBondContact OG-NH2 3.14Å |
| 227 | S | 98.4 | Very high | 98.7 | Very high | 57 Ų | 57 | 29.6 Ų | 29.6 | 40% | 0.399 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -84.5 | -9.9 | 177.7 | -62 | 0 | 0 | 0 | 0 | 113.5 | G224 A225 Q263 | G224-S227 WeakPolarHBondContact O-CB 3.45Å; G224-S227 PolarHBondContact O-N 3.17Å; G224-S227 VanDerWaalsContact O-N 3.15Å; A225-S227 PolarHBondContact O-N 3.13Å; S227-Q263 PolarHBondContact OG-OE1 3.1Å |
| 228 | E | 98.7 | Very high | 98.7 | Very high | 94 Ų | 94 | 29.6 Ų | 29.6 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -72.5 | 148.8 | 176.3 | -66 | -71.9 | -172.7 | 0 | 0 | 111.8 | L194 A195 A225 D230 C231 | L194-E228 HydrophobicContact CB-CG 4.18Å; A195-E228 HydrophobicContact CB-CB 3.52Å; A195-E228 HydrophobicContact CB-CG 3.96Å; A225-E228 WeakPolarHBondContact O-CB 3.38Å; A225-E228 PolarHBondContact O-N 2.88Å; E228-D230 PolarHBondContact O-N 3.41Å; E228-C231 VanDerWaalsContact O-CB 3.24Å; E228-C231 WeakPolarHBondContact O-CB 3.5Å; E228-C231 PolarHBondContact O-N 3.32Å |
| 229 | G | 98.6 | Very high | 98.6 | Very high | 55 Ų | 55 | 31 Ų | 31 | 57% | 0.567 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -59.8 | -30.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C231 H232 A233 | G229-C231 PolarHBondContact O-N 3.3Å; G229-H232 WeakPolarHBondContact O-CB 3.4Å; G229-H232 PolarHBondContact O-N 3.5Å; G229-A233 PolarHBondContact O-N 3.29Å; G229-A233 VanDerWaalsContact O-N 3.09Å |
| 230 | D | 98.7 | Very high | 98.5 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.9 | -27.6 | 177.3 | -80.5 | -13.4 | 0 | 0 | 0 | 112.8 | A195 T196 P199 E228 A233 A234 | A195-D230 HydrophobicContact CB-CB 3.96Å; T196-D230 WeakPolarHBondContact CA-OD2 3.23Å; P199-D230 HydrophobicContact CG-CB 4.12Å; E228-D230 PolarHBondContact O-N 3.41Å; D230-A233 PolarHBondContact O-N 3.17Å; D230-A234 VanDerWaalsContact O-CB 3.25Å; D230-A234 WeakPolarHBondContact O-CB 3.27Å; D230-A234 PolarHBondContact O-N 3.34Å |
| 231 | C | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | 172.8 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | M198 S226 E228 G229 A233 A234 F235 | M198-C231 HydrophobicContact CE-CB 3.94Å; M198-C231 HydrophobicContact SD-CB 3.86Å; S226-C231 WeakPolarHBondContact O-CB 3.47Å; S226-C231 PolarHBondContact O-SG 3.27Å; E228-C231 VanDerWaalsContact O-CB 3.24Å; E228-C231 WeakPolarHBondContact O-CB 3.5Å; E228-C231 PolarHBondContact O-N 3.32Å; G229-C231 PolarHBondContact O-N 3.3Å; C231-A233 PolarHBondContact O-N 3.49Å; C231-A234 PolarHBondContact O-N 2.99Å; C231-F235 WeakPolarHBondContact O-CG 3.49Å; C231-F235 PolarHBondContact O-N 2.69Å; C231-F235 VanDerWaalsContact SG-CE2 3.53Å; C231-F235 VanDerWaalsContact SG-CZ 3.58Å |
| 232 | H | 98.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 45.3 Ų | 45.3 | 48% | 0.477 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 175.8 | 174.4 | 76.7 | 0 | 0 | 0 | 111.6 | G229 A234 N236 Y276 | G229-H232 WeakPolarHBondContact O-CB 3.4Å; G229-H232 PolarHBondContact O-N 3.5Å; H232-A234 PolarHBondContact O-N 3.11Å; H232-N236 PolarHBondContact O-N 2.66Å; H232-Y276 AromaticContact CE1-CE1 3.77Å; H232-Y276 AromaticContact ND1-CE1 3.51Å; H232-Y276 AromaticContact ND1-CZ 3.51Å; H232-Y276 PolarHBondContact ND1-OH 3.27Å |
| 233 | A | 98.7 | Very high | 98.4 | Very high | 34 Ų | 34 | 45 Ų | 45 | 28% | 0.281 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -47.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G229 D230 C231 N236 F237 | G229-A233 PolarHBondContact O-N 3.29Å; G229-A233 VanDerWaalsContact O-N 3.09Å; D230-A233 PolarHBondContact O-N 3.17Å; C231-A233 PolarHBondContact O-N 3.49Å; A233-N236 PolarHBondContact O-N 2.68Å; A233-F237 WeakPolarHBondContact O-CB 3.29Å; A233-F237 VanDerWaalsContact O-CD2 3.27Å; A233-F237 WeakPolarHBondContact O-CD2 3.42Å; A233-F237 PolarHBondContact O-N 3.49Å |
| 234 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M198 P199 V202 D230 C231 H232 N236 F237 A238 F247 | M198-A234 HydrophobicContact CB-CB 3.6Å; P199-A234 HydrophobicContact CB-CB 4.47Å; V202-A234 HydrophobicContact CG2-CB 4.07Å; D230-A234 VanDerWaalsContact O-CB 3.25Å; D230-A234 WeakPolarHBondContact O-CB 3.27Å; D230-A234 PolarHBondContact O-N 3.34Å; C231-A234 PolarHBondContact O-N 2.99Å; H232-A234 PolarHBondContact O-N 3.11Å; A234-N236 PolarHBondContact O-N 2.87Å; A234-F237 PolarHBondContact O-N 2.79Å; A234-A238 VanDerWaalsContact O-CB 3.23Å; A234-A238 WeakPolarHBondContact O-CB 3.47Å; A234-A238 PolarHBondContact O-N 3.45Å; A234-F247 HydrophobicContact CB-CE1 4.01Å; A234-F247 HydrophobicContact CB-CZ 4.05Å |
| 235 | F | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | -179.4 | -71.2 | -6.8 | 0 | 0 | 0 | 112 | M198 F221 C231 S239 F247 V269 Y276 L278 L309 | M198-F235 HydrophobicContact CE-CD1 4.32Å; M198-F235 HydrophobicContact CE-CE1 3.65Å; M198-F235 HydrophobicContact CE-CZ 4.13Å; F221-F235 HydrophobicContact CE2-CZ 4.24Å; F221-F235 HydrophobicContact CZ-CE1 4.1Å; F221-F235 AromaticContact CZ-CZ 3.84Å; F221-F235 HydrophobicContact CZ-CZ 3.84Å; C231-F235 WeakPolarHBondContact O-CG 3.49Å; C231-F235 PolarHBondContact O-N 2.69Å; C231-F235 VanDerWaalsContact SG-CE2 3.53Å; C231-F235 VanDerWaalsContact SG-CZ 3.58Å; F235-S239 PolarHBondContact O-N 3.06Å; F235-F247 HydrophobicContact CD1-CD1 4.28Å; F235-F247 AromaticContact CD1-CD2 3.81Å; F235-F247 HydrophobicContact CD1-CD2 3.81Å; F235-F247 HydrophobicContact CD1-CE1 4.27Å; F235-F247 AromaticContact CD1-CE2 3.77Å; F235-F247 HydrophobicContact CD1-CE2 3.77Å; F235-F247 HydrophobicContact CD1-CG 4.05Å; F235-F247 HydrophobicContact CD1-CZ 4Å; F235-F247 HydrophobicContact CE1-CB 4.02Å; F235-F247 AromaticContact CE1-CD1 3.96Å; F235-F247 HydrophobicContact CE1-CD1 3.96Å; F235-F247 AromaticContact CE1-CD2 3.86Å; F235-F247 HydrophobicContact CE1-CD2 3.86Å; F235-F247 HydrophobicContact CE1-CE1 4.36Å; F235-F247 HydrophobicContact CE1-CE2 4.26Å; F235-F247 AromaticContact CE1-CG 3.68Å; F235-F247 HydrophobicContact CE1-CG 3.68Å; F235-F247 HydrophobicContact CE1-CZ 4.49Å; F235-V269 HydrophobicContact CE2-CG1 4.5Å; F235-V269 HydrophobicContact CZ-CG1 4.33Å; F235-Y276 HydrophobicContact CB-CD1 3.95Å; F235-Y276 HydrophobicContact CB-CD2 3.79Å; F235-Y276 HydrophobicContact CB-CE1 4.28Å; F235-Y276 HydrophobicContact CB-CE2 4.18Å; F235-Y276 HydrophobicContact CB-CG 3.7Å; F235-Y276 AromaticContact CD2-CD2 3.79Å; F235-Y276 HydrophobicContact CD2-CD2 3.79Å; F235-Y276 AromaticContact CD2-CE2 3.78Å; F235-Y276 HydrophobicContact CD2-CE2 3.78Å; F235-Y276 HydrophobicContact CG-CD2 4.27Å; F235-L278 HydrophobicContact CB-CD1 4.03Å; F235-L278 HydrophobicContact CD1-CD1 3.83Å; F235-L278 HydrophobicContact CD2-CD1 4.34Å; F235-L278 HydrophobicContact CE1-CD1 4.36Å; F235-L278 HydrophobicContact CG-CD1 3.82Å; F235-L309 HydrophobicContact CE1-CD1 4.31Å; F235-L309 HydrophobicContact CE2-CD2 4.41Å; F235-L309 HydrophobicContact CZ-CD1 3.96Å; F235-L309 HydrophobicContact CZ-CD2 4.29Å |
| 236 | N | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 35% | 0.348 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.6 | -44.7 | -179.6 | -167.6 | 23.9 | 0 | 0 | 0 | 112.1 | H232 A233 A234 A238 S239 T240 Y276 | H232-N236 PolarHBondContact O-N 2.66Å; A233-N236 PolarHBondContact O-N 2.68Å; A234-N236 PolarHBondContact O-N 2.87Å; N236-A238 PolarHBondContact O-N 3.44Å; N236-S239 PolarHBondContact O-N 3.34Å; N236-T240 WeakPolarHBondContact O-CG2 3.49Å; N236-T240 PolarHBondContact O-N 3.4Å; N236-T240 PolarHBondContact O-OG1 3.23Å; N236-Y276 HydrophobicContact CB-CD1 4Å; N236-Y276 HydrophobicContact CB-CE1 4.26Å |
| 237 | F | 98.7 | Very high | 98.5 | Very high | 121 Ų | 121 | 44.3 Ų | 44.3 | 53% | 0.531 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 178.5 | -86 | -122.7 | 0 | 0 | 0 | 111.7 | V202 A233 A234 S239 T240 L241 | V202-F237 HydrophobicContact CG1-CB 3.97Å; A233-F237 WeakPolarHBondContact O-CB 3.29Å; A233-F237 VanDerWaalsContact O-CD2 3.27Å; A233-F237 WeakPolarHBondContact O-CD2 3.42Å; A233-F237 PolarHBondContact O-N 3.49Å; A234-F237 PolarHBondContact O-N 2.79Å; F237-S239 VanDerWaalsContact C-N 3.32Å; F237-S239 PolarHBondContact O-N 2.82Å; F237-T240 PolarHBondContact O-OG1 2.88Å; F237-L241 HydrophobicContact CB-CD1 4.46Å; F237-L241 HydrophobicContact CD1-CD1 4.1Å; F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 VanDerWaalsContact O-CG 3.3Å; F237-L241 WeakPolarHBondContact O-CG 3.44Å; F237-L241 PolarHBondContact O-N 2.97Å |
| 238 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | V202 A234 N236 R242 C243 V245 F247 L278 P307 | V202-A238 HydrophobicContact CG1-CB 4.24Å; V202-A238 HydrophobicContact CG2-CB 3.96Å; A234-A238 VanDerWaalsContact O-CB 3.23Å; A234-A238 WeakPolarHBondContact O-CB 3.47Å; A234-A238 PolarHBondContact O-N 3.45Å; N236-A238 PolarHBondContact O-N 3.44Å; A238-R242 CarbonylContact O-C 3.49Å; A238-R242 WeakPolarHBondContact O-CA 3.26Å; A238-R242 PolarHBondContact O-N 3.47Å; A238-C243 PolarHBondContact O-N 2.92Å; A238-V245 HydrophobicContact CB-CG1 3.63Å; A238-F247 HydrophobicContact CB-CE2 3.56Å; A238-F247 HydrophobicContact CB-CZ 3.8Å; A238-L278 HydrophobicContact CB-CD2 4.5Å; A238-P307 HydrophobicContact CB-CB 3.95Å; A238-P307 HydrophobicContact CB-CG 4.3Å |
| 239 | S | 97.6 | Very high | 98.5 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 21% | 0.21 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.2 | -56.7 | -179.9 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | F235 N236 F237 L241 R242 Y276 | F235-S239 PolarHBondContact O-N 3.06Å; N236-S239 PolarHBondContact O-N 3.34Å; F237-S239 VanDerWaalsContact C-N 3.32Å; F237-S239 PolarHBondContact O-N 2.82Å; S239-L241 PolarHBondContact O-N 3.41Å; S239-R242 PolarHBondContact O-N 3.47Å; S239-Y276 WeakPolarHBondContact CB-O 3.2Å; S239-Y276 PolarHBondContact OG-O 2.8Å |
| 240 | T | 97.1 | Very high | 98.5 | Very high | 93 Ų | 93 | 34.6 Ų | 34.6 | 57% | 0.571 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -61 | -34.9 | -177.5 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | N236 F237 | N236-T240 WeakPolarHBondContact O-CG2 3.49Å; N236-T240 PolarHBondContact O-N 3.4Å; N236-T240 PolarHBondContact O-OG1 3.23Å; F237-T240 PolarHBondContact O-OG1 2.88Å |
| 241 | L | 98.1 | Very high | 98.5 | Very high | 57 Ų | 57 | 31.9 Ų | 31.9 | 30% | 0.298 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 1.4 | 177.2 | -57 | 175.4 | 0 | 0 | 0 | 113.2 | Y206 K209 F237 S239 C243 | Y206-L241 HydrophobicContact CD2-CB 3.8Å; Y206-L241 HydrophobicContact CD2-CD1 4.07Å; Y206-L241 HydrophobicContact CD2-CG 4.4Å; Y206-L241 HydrophobicContact CE2-CB 3.84Å; Y206-L241 HydrophobicContact CE2-CD1 4.16Å; Y206-L241 HydrophobicContact CE2-CD2 3.99Å; Y206-L241 HydrophobicContact CE2-CG 4.23Å; K209-L241 PolarHBondContact NZ-O 3.11Å; F237-L241 HydrophobicContact CB-CD1 4.46Å; F237-L241 HydrophobicContact CD1-CD1 4.1Å; F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 VanDerWaalsContact O-CG 3.3Å; F237-L241 WeakPolarHBondContact O-CG 3.44Å; F237-L241 PolarHBondContact O-N 2.97Å; S239-L241 PolarHBondContact O-N 3.41Å; L241-C243 VanDerWaalsContact C-N 3.31Å; L241-C243 PolarHBondContact O-N 2.95Å |
| 242 | R | 97.6 | Very high | 98.5 | Very high | 150 Ų | 150 | 32 Ų | 32 | 57% | 0.566 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48 | 50.3 | 179.7 | -62.7 | -176.4 | 63.6 | 177.1 | -2.6 | 112.8 | K209 A238 S239 G305 | K209-R242 WeakPolarHBondContact CD-O 3.36Å; A238-R242 CarbonylContact O-C 3.49Å; A238-R242 WeakPolarHBondContact O-CA 3.26Å; A238-R242 PolarHBondContact O-N 3.47Å; S239-R242 PolarHBondContact O-N 3.47Å; R242-G305 WeakPolarHBondContact CB-O 3.34Å; R242-G305 PolarHBondContact NE-O 3.15Å |
| 243 | C | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -76.4 | 143.1 | -174.5 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | V202 A205 A238 L241 V245 | V202-C243 HydrophobicContact CG1-CB 4.33Å; A205-C243 HydrophobicContact CB-CB 3.97Å; A238-C243 PolarHBondContact O-N 2.92Å; L241-C243 VanDerWaalsContact C-N 3.31Å; L241-C243 PolarHBondContact O-N 2.95Å; C243-V245 HydrophobicContact CB-CG1 4Å; C243-V245 PolarHBondContact O-N 3.26Å | ||
| 244 | P | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | trans | -75.8 | 69.6 | 171.5 | 32.7 | -36.3 | 0 | 0 | 0 | 111.1 | A205 K209 V216 S217 A302 | A205-P244 HydrophobicContact CB-CG 4.07Å; A205-P244 WeakPolarHBondContact CB-O 3.5Å; A205-P244 VanDerWaalsContact O-CD 3.28Å; A205-P244 WeakPolarHBondContact O-CD 3.46Å; A205-P244 VanDerWaalsContact O-CG 3.29Å; A205-P244 WeakPolarHBondContact O-CG 3.06Å; K209-P244 HydrophobicContact CB-CG 4.1Å; V216-P244 VanDerWaalsContact CA-O 3.3Å; V216-P244 WeakPolarHBondContact CA-O 3.4Å; V216-P244 WeakPolarHBondContact CB-O 3.13Å; V216-P244 HydrophobicContact CG1-CB 4.29Å; S217-P244 PolarHBondContact N-O 3.23Å; P244-A302 VanDerWaalsContact CA-O 3.26Å; P244-A302 WeakPolarHBondContact CA-O 3.33Å; P244-A302 WeakPolarHBondContact CB-O 3.38Å | ||
| 245 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.5 | -177.2 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | A201 A205 S217 A238 C243 F247 P307 C308 | A201-V245 HydrophobicContact CB-CG2 4.43Å; A205-V245 HydrophobicContact CB-CB 3.88Å; S217-V245 CarbonylContact O-C 3.6Å; S217-V245 VanDerWaalsContact O-CA 3.29Å; S217-V245 WeakPolarHBondContact O-CA 3.19Å; S217-V245 WeakPolarHBondContact O-CG2 3.46Å; A238-V245 HydrophobicContact CB-CG1 3.63Å; C243-V245 HydrophobicContact CB-CG1 4Å; C243-V245 PolarHBondContact O-N 3.26Å; V245-F247 HydrophobicContact CG1-CD2 4.45Å; V245-F247 HydrophobicContact CG1-CE2 3.79Å; V245-F247 HydrophobicContact CG1-CZ 3.98Å; V245-F247 HydrophobicContact CG2-CD1 4.49Å; V245-F247 HydrophobicContact CG2-CE1 4.14Å; V245-F247 HydrophobicContact CG2-CE2 4.45Å; V245-F247 HydrophobicContact CG2-CZ 4.14Å; V245-P307 HydrophobicContact CG1-CB 3.79Å; V245-P307 WeakPolarHBondContact O-CA 3.3Å; V245-C308 PolarHBondContact O-N 2.81Å |
| 246 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 115.4 | 172.6 | -53 | 171.1 | 0 | 0 | 0 | 107.7 | L133 V216 S217 L218 C219 A298 R299 A302 C308 I310 | L133-I246 HydrophobicContact CD2-CD1 4.44Å; V216-I246 HydrophobicContact CG2-CD1 4.11Å; S217-I246 PolarHBondContact O-N 2.92Å; L218-I246 WeakPolarHBondContact CA-O 3.27Å; L218-I246 HydrophobicContact CD1-CB 4.36Å; L218-I246 HydrophobicContact CD1-CD1 4.48Å; L218-I246 HydrophobicContact CD1-CG2 4.22Å; L218-I246 HydrophobicContact CG-CB 4.29Å; L218-I246 HydrophobicContact CG-CG2 4.46Å; C219-I246 PolarHBondContact N-O 3.47Å; I246-A298 HydrophobicContact CD1-CB 4.07Å; I246-A298 HydrophobicContact CG1-CB 4.23Å; I246-A298 HydrophobicContact CG2-CB 4.12Å; I246-R299 HydrophobicContact CD1-CB 4.08Å; I246-A302 HydrophobicContact CG1-CB 4.06Å; I246-C308 HydrophobicContact CG2-CB 4.39Å; I246-I310 HydrophobicContact CG2-CD1 3.92Å; I246-I310 HydrophobicContact CG2-CG1 4.4Å |
| 247 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 118.7 | 170.5 | -65.4 | -66.4 | 0 | 0 | 0 | 108.8 | M198 V202 C219 F221 A234 F235 A238 V245 L278 C308 L309 I310 | M198-F247 HydrophobicContact CE-CD1 4.14Å; M198-F247 HydrophobicContact CE-CE1 4.39Å; V202-F247 HydrophobicContact CG2-CE1 4.12Å; V202-F247 HydrophobicContact CG2-CZ 3.57Å; C219-F247 HydrophobicContact CB-CD1 4.15Å; F221-F247 HydrophobicContact CE1-CB 3.77Å; F221-F247 HydrophobicContact CE1-CD1 4.35Å; F221-F247 HydrophobicContact CZ-CB 4.23Å; A234-F247 HydrophobicContact CB-CE1 4.01Å; A234-F247 HydrophobicContact CB-CZ 4.05Å; F235-F247 HydrophobicContact CD1-CD1 4.28Å; F235-F247 AromaticContact CD1-CD2 3.81Å; F235-F247 HydrophobicContact CD1-CD2 3.81Å; F235-F247 HydrophobicContact CD1-CE1 4.27Å; F235-F247 AromaticContact CD1-CE2 3.77Å; F235-F247 HydrophobicContact CD1-CE2 3.77Å; F235-F247 HydrophobicContact CD1-CG 4.05Å; F235-F247 HydrophobicContact CD1-CZ 4Å; F235-F247 HydrophobicContact CE1-CB 4.02Å; F235-F247 AromaticContact CE1-CD1 3.96Å; F235-F247 HydrophobicContact CE1-CD1 3.96Å; F235-F247 AromaticContact CE1-CD2 3.86Å; F235-F247 HydrophobicContact CE1-CD2 3.86Å; F235-F247 HydrophobicContact CE1-CE1 4.36Å; F235-F247 HydrophobicContact CE1-CE2 4.26Å; F235-F247 AromaticContact CE1-CG 3.68Å; F235-F247 HydrophobicContact CE1-CG 3.68Å; F235-F247 HydrophobicContact CE1-CZ 4.49Å; A238-F247 HydrophobicContact CB-CE2 3.56Å; A238-F247 HydrophobicContact CB-CZ 3.8Å; V245-F247 HydrophobicContact CG1-CD2 4.45Å; V245-F247 HydrophobicContact CG1-CE2 3.79Å; V245-F247 HydrophobicContact CG1-CZ 3.98Å; V245-F247 HydrophobicContact CG2-CD1 4.49Å; V245-F247 HydrophobicContact CG2-CE1 4.14Å; V245-F247 HydrophobicContact CG2-CE2 4.45Å; V245-F247 HydrophobicContact CG2-CZ 4.14Å; F247-L278 HydrophobicContact CD2-CD1 4.13Å; F247-L278 HydrophobicContact CE2-CD1 4.37Å; F247-C308 WeakPolarHBondContact CB-O 3.35Å; F247-C308 WeakPolarHBondContact CD2-O 3.1Å; F247-C308 PolarHBondContact N-O 3.47Å; F247-L309 HydrophobicContact CB-CD1 3.77Å; F247-L309 WeakPolarHBondContact O-CA 3.42Å; F247-I310 PolarHBondContact O-N 3.05Å |
| 248 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 96.3 | -180 | -164 | -73.6 | 0 | 0 | 0 | 109.6 | C125 L218 C219 Y220 F221 R250 I291 V295 I310 A312 | C125-F248 HydrophobicContact CB-CE1 4.05Å; C125-F248 HydrophobicContact CB-CZ 4.3Å; L218-F248 HydrophobicContact CD2-CB 4.14Å; L218-F248 HydrophobicContact CG-CB 4.45Å; C219-F248 PolarHBondContact O-N 2.95Å; Y220-F248 WeakPolarHBondContact CA-O 3.35Å; Y220-F248 HydrophobicContact CD1-CB 3.94Å; Y220-F248 AromaticContact CD1-CD1 3.66Å; Y220-F248 HydrophobicContact CD1-CD1 3.66Å; Y220-F248 HydrophobicContact CD1-CE1 4.45Å; Y220-F248 AromaticContact CD1-CG 3.97Å; Y220-F248 HydrophobicContact CD1-CG 3.97Å; Y220-F248 HydrophobicContact CE1-CB 4.24Å; Y220-F248 AromaticContact CE1-CD1 3.82Å; Y220-F248 HydrophobicContact CE1-CD1 3.82Å; Y220-F248 HydrophobicContact CE1-CE1 4.33Å; Y220-F248 AromaticContact CE1-CG 3.97Å; Y220-F248 HydrophobicContact CE1-CG 3.97Å; F221-F248 PolarHBondContact N-O 2.91Å; F221-F248 VanDerWaalsContact N-O 3.16Å; F248-R250 HydrophobicContact CD1-CG 4.15Å; F248-R250 HydrophobicContact CE1-CG 4.05Å; F248-I291 HydrophobicContact CE2-CD1 4.44Å; F248-I291 HydrophobicContact CE2-CG2 4.03Å; F248-I291 HydrophobicContact CZ-CD1 3.93Å; F248-I291 HydrophobicContact CZ-CG2 3.96Å; F248-V295 HydrophobicContact CD2-CG2 3.85Å; F248-V295 HydrophobicContact CE2-CG2 3.63Å; F248-I310 HydrophobicContact CD2-CB 4.14Å; F248-I310 HydrophobicContact CD2-CD1 4.22Å; F248-I310 HydrophobicContact CD2-CG2 4.1Å; F248-I310 HydrophobicContact CE2-CG2 3.97Å; F248-A312 HydrophobicContact CE1-CB 3.66Å; F248-A312 HydrophobicContact CZ-CB 3.75Å |
| 249 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 121.4 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | F221 V269 I310 E311 A312 | F221-C249 HydrophobicContact CD2-CB 4.3Å; F221-C249 HydrophobicContact CE1-CB 4.15Å; F221-C249 HydrophobicContact CE2-CB 3.64Å; F221-C249 HydrophobicContact CZ-CB 3.54Å; F221-C249 CarbonylContact O-C 3.49Å; F221-C249 VanDerWaalsContact O-CA 3.32Å; F221-C249 WeakPolarHBondContact O-CA 3.46Å; C249-V269 HydrophobicContact CB-CB 4.32Å; C249-V269 HydrophobicContact CB-CG1 4.11Å; C249-V269 VanDerWaalsContact SG-CG2 3.54Å; C249-I310 PolarHBondContact N-O 3.32Å; C249-E311 HydrophobicContact CB-CG 4.47Å; C249-A312 PolarHBondContact O-N 3.21Å |
| 250 | R | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 97.9 | 167.5 | -66.8 | -177.1 | -66.1 | 86.6 | 7.5 | 108.7 | E122 C125 Q142 E145 F221 G222 D223 F248 N252 | E122-R250 IonicContact OE1-NH1 3.92Å; E122-R250 PolarHBondContact OE1-NH1 3.28Å; E122-R250 WeakPolarHBondContact OE2-CB 3.41Å; E122-R250 VanDerWaalsContact OE2-CD 3.26Å; E122-R250 WeakPolarHBondContact OE2-CD 3.44Å; E122-R250 IonicContact OE2-CZ 3.52Å; E122-R250 IonicContact OE2-NE 3.04Å; E122-R250 IonicContact OE2-NH1 3.59Å; E122-R250 PolarHBondContact OE2-NH1 3.39Å; C125-R250 HydrophobicContact CB-CG 4.4Å; Q142-R250 VanDerWaalsContact OE1-NH2 3.1Å; E145-R250 IonicContact OE1-CZ 2.73Å; E145-R250 IonicContact OE1-NE 3.94Å; E145-R250 PolarHBondContact OE1-NE 3.17Å; E145-R250 IonicContact OE1-NH2 3.99Å; E145-R250 PolarHBondContact OE1-NH2 2.93Å; E145-R250 IonicContact OE2-NH2 3.68Å; F221-R250 PolarHBondContact O-N 3.06Å; G222-R250 WeakPolarHBondContact CA-O 3.35Å; D223-R250 PolarHBondContact N-O 3.25Å; F248-R250 HydrophobicContact CD1-CG 4.15Å; F248-R250 HydrophobicContact CE1-CG 4.05Å; R250-N252 PolarHBondContact O-N 2.99Å |
| 251 | N | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 99.7 | 175 | -171.2 | -25.1 | 0 | 0 | 0 | 108.4 | D223 A253 Y264 E311 A312 M313 T314 | D223-N251 HydrophobicContact CB-CB 4.26Å; N251-A253 PolarHBondContact OD1-N 3.03Å; N251-Y264 PolarHBondContact ND2-OH 3.36Å; N251-E311 HydrophobicContact CB-CG 3.98Å; N251-E311 PolarHBondContact ND2-OE1 2.8Å; N251-A312 PolarHBondContact N-O 2.91Å; N251-M313 HydrophobicContact CB-CE 4.13Å; N251-M313 HydrophobicContact CB-SD 3.98Å; N251-T314 PolarHBondContact O-N 3.29Å |
| 252 | N | 97.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | trans | -109.9 | 19.7 | -173.8 | 71.7 | 11.9 | 0 | 0 | 0 | 112.9 | E122 D223 R250 Y254 T314 R316 | E122-N252 PolarHBondContact OE1-ND2 3.27Å; D223-N252 PolarHBondContact OD1-N 2.98Å; D223-N252 VanDerWaalsContact OD1-N 3.16Å; D223-N252 PolarHBondContact OD1-OD1 3.43Å; R250-N252 PolarHBondContact O-N 2.99Å; N252-Y254 PolarHBondContact O-N 3.32Å; N252-Y254 PolarHBondContact OD1-N 3.04Å; N252-Y254 PolarHBondContact OD1-O 3.4Å; N252-Y254 VanDerWaalsContact OD1-O 3.06Å; N252-T314 WeakPolarHBondContact CA-O 3.48Å; N252-T314 HydrophobicContact CB-CG2 3.75Å; N252-R316 HydrophobicContact CB-CB 4.07Å; N252-R316 PolarHBondContact O-N 3.22Å | ||
| 253 | A | 96.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 30.1 Ų | 30.1 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 70.7 | -11.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | N251 V260 Y315 | N251-A253 PolarHBondContact OD1-N 3.03Å; A253-V260 PolarHBondContact O-N 3.11Å; A253-Y315 HydrophobicContact CB-CD2 4.41Å |
| 254 | Y | 98.1 | Very high | 97.8 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 127.9 | -172.6 | -72.4 | -86.5 | 0 | 0 | 0 | 115.3 | N252 T258 Y315 R316 Y329 R330 E334 | N252-Y254 PolarHBondContact O-N 3.32Å; N252-Y254 PolarHBondContact OD1-N 3.04Å; N252-Y254 PolarHBondContact OD1-O 3.4Å; N252-Y254 VanDerWaalsContact OD1-O 3.06Å; Y254-T258 WeakPolarHBondContact CA-O 3.29Å; Y254-Y315 HydrophobicContact CD2-CE2 4.43Å; Y254-Y315 HydrophobicContact CE2-CE2 4.1Å; Y254-R316 PolarHBondContact O-NH1 3.37Å; Y254-Y329 HydrophobicContact CD1-CD2 4.27Å; Y254-Y329 HydrophobicContact CD1-CE2 4.19Å; Y254-Y329 HydrophobicContact CE1-CD2 4.21Å; Y254-Y329 HydrophobicContact CE1-CE2 4.49Å; Y254-R330 HydrophobicContact CD1-CG 4.38Å; Y254-R330 HydrophobicContact CE1-CG 3.81Å; Y254-R330 VanDerWaalsContact CE2-CD 3.47Å; Y254-R330 HydrophobicContact CE2-CG 4.04Å; Y254-E334 PolarHBondContact OH-OE1 3.11Å; Y254-E334 PolarHBondContact OH-OE2 3.11Å |
| 255 | A | 98 | Very high | 97.5 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 99.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S257 T258 | A255-S257 PolarHBondContact O-N 3.18Å; A255-T258 PolarHBondContact N-O 3.44Å; A255-T258 WeakPolarHBondContact O-CB 3.47Å; A255-T258 PolarHBondContact O-N 3.05Å |
| 256 | I | 97.8 | Very high | 97.3 | Very high | 90 Ų | 90 | 37.9 Ų | 37.9 | 46% | 0.462 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | -102.1 | -167.1 | -51.5 | 174.7 | 0 | 0 | 0 | 109.3 | R316 Y329 | I256-R316 PolarHBondContact O-NH1 3.46Å; I256-R316 PolarHBondContact O-NH2 3.43Å; I256-Y329 VanDerWaalsContact O-CE2 3.26Å; I256-Y329 WeakPolarHBondContact O-CE2 3.21Å; I256-Y329 VanDerWaalsContact O-CZ 3.22Å; I256-Y329 PolarHBondContact O-OH 2.85Å |
| 257 | S | 97.4 | Very high | 97.1 | Very high | 60 Ų | 60 | 40 Ų | 40 | 42% | 0.42 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -14.3 | 177 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | A255 | A255-S257 PolarHBondContact O-N 3.18Š|
| 258 | T | 97.9 | Very high | 97 | Very high | 51 Ų | 51 | 40.2 Ų | 40.2 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 123.3 | -176.8 | -56.1 | 0 | 0 | 0 | 0 | 110.2 | Y254 A255 E262 | Y254-T258 WeakPolarHBondContact CA-O 3.29Å; A255-T258 PolarHBondContact N-O 3.44Å; A255-T258 WeakPolarHBondContact O-CB 3.47Å; A255-T258 PolarHBondContact O-N 3.05Å; T258-E262 HydrophobicContact CG2-CB 3.73Å |
| 259 | S | 97 | Very high | 96.9 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 158.3 | 176.7 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | S261 E262 Q263 | S259-S261 PolarHBondContact O-N 3.24Å; S259-S261 PolarHBondContact OG-OG 3.43Å; S259-E262 PolarHBondContact N-OE2 3.45Å; S259-E262 PolarHBondContact O-N 3Å; S259-E262 PolarHBondContact OG-OE2 3.41Å; S259-E262 VanDerWaalsContact OG-OE2 3.06Å; S259-Q263 PolarHBondContact O-N 2.89Å |
| 260 | V | 96.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 21% | 0.212 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -29.7 | 175.5 | -76.5 | 0 | 0 | 0 | 0 | 114 | D223 A253 E262 Q263 Y264 | D223-V260 HydrophobicContact CB-CG1 4.37Å; A253-V260 PolarHBondContact O-N 3.11Å; V260-E262 PolarHBondContact O-N 3.49Å; V260-Q263 WeakPolarHBondContact O-CB 3.47Å; V260-Q263 PolarHBondContact O-N 2.95Å; V260-Y264 HydrophobicContact CB-CE1 4.14Å; V260-Y264 HydrophobicContact CB-CE2 4.48Å; V260-Y264 WeakPolarHBondContact CB-OH 3.11Å; V260-Y264 HydrophobicContact CG1-CE1 4Å; V260-Y264 WeakPolarHBondContact CG1-OH 3.32Å; V260-Y264 PolarHBondContact O-N 3.23Å |
| 261 | S | 95 | Very high | 96.8 | Very high | 100 Ų | 100 | 41.8 Ų | 41.8 | 70% | 0.699 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.5 | -21.4 | 174.7 | 41.1 | 0 | 0 | 0 | 0 | 113.8 | S259 | S259-S261 PolarHBondContact O-N 3.24Å; S259-S261 PolarHBondContact OG-OG 3.43Å |
| 262 | E | 97.4 | Very high | 96.7 | Very high | 141 Ų | 141 | 44.4 Ų | 44.4 | 66% | 0.659 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -99.8 | -5.6 | 173.9 | -63.3 | 167.4 | 135.7 | 0 | 0 | 111.8 | T258 S259 V260 | T258-E262 HydrophobicContact CG2-CB 3.73Å; S259-E262 PolarHBondContact N-OE2 3.45Å; S259-E262 PolarHBondContact O-N 3Å; S259-E262 PolarHBondContact OG-OE2 3.41Å; S259-E262 VanDerWaalsContact OG-OE2 3.06Å; V260-E262 PolarHBondContact O-N 3.49Å |
| 263 | Q | 97.8 | Very high | 96.7 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -92.7 | -39.6 | -176.7 | -166.6 | 62.6 | -95.5 | 0 | 0 | 112.1 | G224 S227 S259 V260 | G224-Q263 VanDerWaalsContact CA-NE2 3.28Å; S227-Q263 PolarHBondContact OG-OE1 3.1Å; S259-Q263 PolarHBondContact O-N 2.89Å; V260-Q263 WeakPolarHBondContact O-CB 3.47Å; V260-Q263 PolarHBondContact O-N 2.95Å |
| 264 | Y | 96.1 | Very high | 96.7 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | trans | -156.1 | 154.5 | -179.9 | 52.3 | -105.3 | 0 | 0 | 0 | 112 | D223 N251 V260 G266 G268 | D223-Y264 HydrophobicContact CB-CE1 4.44Å; N251-Y264 PolarHBondContact ND2-OH 3.36Å; V260-Y264 HydrophobicContact CB-CE1 4.14Å; V260-Y264 HydrophobicContact CB-CE2 4.48Å; V260-Y264 WeakPolarHBondContact CB-OH 3.11Å; V260-Y264 HydrophobicContact CG1-CE1 4Å; V260-Y264 WeakPolarHBondContact CG1-OH 3.32Å; V260-Y264 PolarHBondContact O-N 3.23Å; Y264-G266 WeakPolarHBondContact CD2-O 3.4Å; Y264-G268 VanDerWaalsContact CE2-CA 3.47Å | ||
| 265 | G | 93.5 | Very high | 96.5 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 83% | 0.825 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -101.6 | 7.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 266 | G | 93.4 | Very high | 96.5 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -106.1 | -175.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y264 G268 | Y264-G266 WeakPolarHBondContact CD2-O 3.4Å; G266-G268 PolarHBondContact O-N 3.24Å |
| 267 | D | 95.2 | Very high | 96.3 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 24% | 0.235 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -73.5 | 68.4 | 175.5 | -179.3 | 27 | 0 | 0 | 0 | 112 | T60 I61 G271 R282 | T60-D267 VanDerWaalsContact CA-OD2 3.3Å; T60-D267 WeakPolarHBondContact CA-OD2 3.42Å; T60-D267 WeakPolarHBondContact CB-OD1 3.47Å; T60-D267 HydrophobicContact CG2-CB 4.3Å; I61-D267 PolarHBondContact N-OD2 3.2Å; D267-G271 WeakPolarHBondContact O-CA 3.28Å; D267-G271 PolarHBondContact O-N 3.35Å; D267-R282 VanDerWaalsContact C-NH2 3.32Å; D267-R282 PolarHBondContact O-NH2 3.23Å; D267-R282 IonicContact OD1-CZ 3.99Å; D267-R282 IonicContact OD1-NH1 2.92Å; D267-R282 PolarHBondContact OD1-NH1 2.77Å; D267-R282 IonicContact OD1-NH2 3.69Å; D267-R282 PolarHBondContact OD1-NH2 2.88Å; D267-R282 IonicContact OD2-CZ 3.96Å; D267-R282 IonicContact OD2-NH1 3.57Å; D267-R282 IonicContact OD2-NH2 3.35Å |
| 268 | G | 96.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -158.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y264 G266 | Y264-G268 VanDerWaalsContact CE2-CA 3.47Å; G266-G268 PolarHBondContact O-N 3.24Å |
| 269 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -35 | 172 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | F221 S226 F235 C249 G271 R272 L309 E311 | F221-V269 HydrophobicContact CE2-CG1 4.01Å; F221-V269 HydrophobicContact CZ-CG1 4.34Å; S226-V269 WeakPolarHBondContact OG-CG2 3.4Å; F235-V269 HydrophobicContact CE2-CG1 4.5Å; F235-V269 HydrophobicContact CZ-CG1 4.33Å; C249-V269 HydrophobicContact CB-CB 4.32Å; C249-V269 HydrophobicContact CB-CG1 4.11Å; C249-V269 VanDerWaalsContact SG-CG2 3.54Å; V269-G271 VanDerWaalsContact C-N 3.29Å; V269-G271 PolarHBondContact O-N 3.38Å; V269-R272 VanDerWaalsContact O-CB 3.32Å; V269-R272 WeakPolarHBondContact O-CB 3.49Å; V269-R272 PolarHBondContact O-N 3.04Å; V269-L309 HydrophobicContact CG1-CD1 4.31Å; V269-L309 HydrophobicContact CG1-CD2 4.34Å; V269-L309 WeakPolarHBondContact O-CD2 3.38Å; V269-E311 HydrophobicContact CB-CG 4.44Å; V269-E311 PolarHBondContact N-OE1 3.41Å |
| 270 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -57.9 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I61 R272 G273 P274 T280 R282 E311 | I61-A270 HydrophobicContact CD1-CB 3.69Å; I61-A270 WeakPolarHBondContact CD1-O 3.36Å; A270-R272 PolarHBondContact O-N 3.5Å; A270-G273 PolarHBondContact O-N 2.86Å; A270-P274 WeakPolarHBondContact O-CD 3.39Å; A270-T280 HydrophobicContact CB-CG2 3.86Å; A270-T280 WeakPolarHBondContact O-CG2 3.15Å; A270-R282 HydrophobicContact CB-CB 4.27Å; A270-E311 HydrophobicContact CB-CB 3.83Å; A270-E311 WeakPolarHBondContact CB-OE2 3.48Å; A270-E311 PolarHBondContact N-OE2 3.18Å |
| 271 | G | 96.3 | Very high | 96.6 | Very high | 34 Ų | 34 | 47 Ų | 47 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -58 | -20 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D267 V269 | D267-G271 WeakPolarHBondContact O-CA 3.28Å; D267-G271 PolarHBondContact O-N 3.35Å; V269-G271 VanDerWaalsContact C-N 3.29Å; V269-G271 PolarHBondContact O-N 3.38Å |
| 272 | R | 97.2 | Very high | 96.8 | Very high | 60 Ų | 60 | 43 Ų | 43 | 23% | 0.226 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -80.3 | -32.5 | 177.6 | -50 | -179.7 | -169.9 | -175.3 | 3.4 | 112.5 | S226 V269 A270 A275 Y276 | S226-R272 PolarHBondContact O-NH1 3.19Å; S226-R272 PolarHBondContact OG-NH1 3.2Å; S226-R272 PolarHBondContact OG-NH2 3.14Å; V269-R272 VanDerWaalsContact O-CB 3.32Å; V269-R272 WeakPolarHBondContact O-CB 3.49Å; V269-R272 PolarHBondContact O-N 3.04Å; A270-R272 PolarHBondContact O-N 3.5Å; R272-A275 WeakPolarHBondContact O-CB 3.34Å; R272-A275 PolarHBondContact O-N 2.86Å; R272-Y276 HydrophobicContact CB-CE2 4.29Å; R272-Y276 WeakPolarHBondContact O-CD2 3.33Å |
| 273 | G | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.1 | -50.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115 | A270 A275 Y276 G277 L278 T280 | A270-G273 PolarHBondContact O-N 2.86Å; G273-A275 PolarHBondContact O-N 3.07Å; G273-Y276 PolarHBondContact O-N 3.27Å; G273-Y276 VanDerWaalsContact O-N 3.08Å; G273-G277 PolarHBondContact O-N 3.37Å; G273-L278 PolarHBondContact O-N 3.31Å; G273-T280 WeakPolarHBondContact CA-OG1 3.47Å |
| 274 | P | 95.4 | Very high | 96.8 | Very high | 74 Ų | 74 | 35.1 Ų | 35.1 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58 | -34.3 | 178.6 | -28 | 36.5 | 0 | 0 | 0 | 113.7 | A270 Y276 G277 | A270-P274 WeakPolarHBondContact O-CD 3.39Å; P274-Y276 VanDerWaalsContact C-N 3.28Å; P274-Y276 PolarHBondContact O-N 2.85Å; P274-G277 PolarHBondContact O-N 3.07Å |
| 275 | A | 94 | Very high | 96.9 | Very high | 92 Ų | 92 | 33 Ų | 33 | 76% | 0.76 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.7 | -31.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R272 G273 | R272-A275 WeakPolarHBondContact O-CB 3.34Å; R272-A275 PolarHBondContact O-N 2.86Å; G273-A275 PolarHBondContact O-N 3.07Å |
| 276 | Y | 97.2 | Very high | 97 | Very high | 60 Ų | 60 | 29.5 Ų | 29.5 | 24% | 0.235 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -84.9 | -10.3 | 171.3 | -63.8 | -80.9 | 0 | 0 | 0 | 113.1 | H232 F235 N236 S239 R272 G273 P274 | H232-Y276 AromaticContact CE1-CE1 3.77Å; H232-Y276 AromaticContact ND1-CE1 3.51Å; H232-Y276 AromaticContact ND1-CZ 3.51Å; H232-Y276 PolarHBondContact ND1-OH 3.27Å; F235-Y276 HydrophobicContact CB-CD1 3.95Å; F235-Y276 HydrophobicContact CB-CD2 3.79Å; F235-Y276 HydrophobicContact CB-CE1 4.28Å; F235-Y276 HydrophobicContact CB-CE2 4.18Å; F235-Y276 HydrophobicContact CB-CG 3.7Å; F235-Y276 AromaticContact CD2-CD2 3.79Å; F235-Y276 HydrophobicContact CD2-CD2 3.79Å; F235-Y276 AromaticContact CD2-CE2 3.78Å; F235-Y276 HydrophobicContact CD2-CE2 3.78Å; F235-Y276 HydrophobicContact CG-CD2 4.27Å; N236-Y276 HydrophobicContact CB-CD1 4Å; N236-Y276 HydrophobicContact CB-CE1 4.26Å; S239-Y276 WeakPolarHBondContact CB-O 3.2Å; S239-Y276 PolarHBondContact OG-O 2.8Å; R272-Y276 HydrophobicContact CB-CE2 4.29Å; R272-Y276 WeakPolarHBondContact O-CD2 3.33Å; G273-Y276 PolarHBondContact O-N 3.27Å; G273-Y276 VanDerWaalsContact O-N 3.08Å; P274-Y276 VanDerWaalsContact C-N 3.28Å; P274-Y276 PolarHBondContact O-N 2.85Å |
| 277 | G | 95.3 | Very high | 97.2 | Very high | 33 Ų | 33 | 27.4 Ų | 27.4 | 34% | 0.34 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 25.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G273 P274 | G273-G277 PolarHBondContact O-N 3.37Å; P274-G277 PolarHBondContact O-N 3.07Å |
| 278 | L | 98.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | trans | -84.8 | 141.2 | 174.6 | -52.2 | -178.7 | 0 | 0 | 0 | 111.1 | F235 A238 F247 G273 T280 P307 L309 | F235-L278 HydrophobicContact CB-CD1 4.03Å; F235-L278 HydrophobicContact CD1-CD1 3.83Å; F235-L278 HydrophobicContact CD2-CD1 4.34Å; F235-L278 HydrophobicContact CE1-CD1 4.36Å; F235-L278 HydrophobicContact CG-CD1 3.82Å; A238-L278 HydrophobicContact CB-CD2 4.5Å; F247-L278 HydrophobicContact CD2-CD1 4.13Å; F247-L278 HydrophobicContact CE2-CD1 4.37Å; G273-L278 PolarHBondContact O-N 3.31Å; L278-T280 PolarHBondContact O-N 3.36Å; L278-T280 PolarHBondContact O-OG1 3.07Å; L278-P307 HydrophobicContact CD2-CB 3.87Å; L278-P307 HydrophobicContact CD2-CG 3.54Å; L278-L309 HydrophobicContact CB-CB 4.35Å; L278-L309 HydrophobicContact CD1-CB 4.12Å | ||
| 279 | A | 98.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 25.6 Ų | 25.6 | 25% | 0.248 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 111.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | L301 P307 C308 L309 | A279-L301 HydrophobicContact CB-CD1 4.25Å; A279-P307 PolarHBondContact N-O 3.47Å; A279-C308 CarbonylContact O-C 3.57Å; A279-C308 WeakPolarHBondContact O-CA 3.31Å; A279-L309 PolarHBondContact O-N 3.05Å |
| 280 | T | 98.8 | Very high | 97 | Very high | 37 Ų | 37 | 25.6 Ų | 25.6 | 23% | 0.227 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.3 | -162.6 | -55.6 | 0 | 0 | 0 | 0 | 112.7 | I61 A270 G273 L278 L309 | I61-T280 HydrophobicContact CD1-CG2 4.27Å; A270-T280 HydrophobicContact CB-CG2 3.86Å; A270-T280 WeakPolarHBondContact O-CG2 3.15Å; G273-T280 WeakPolarHBondContact CA-OG1 3.47Å; L278-T280 PolarHBondContact O-N 3.36Å; L278-T280 PolarHBondContact O-OG1 3.07Å; T280-L309 CarbonylContact C-O 3.59Å; T280-L309 VanDerWaalsContact CA-O 3.29Å; T280-L309 WeakPolarHBondContact CA-O 3.48Å; T280-L309 HydrophobicContact CG2-CB 4.17Å; T280-L309 HydrophobicContact CG2-CD2 4.06Å; T280-L309 HydrophobicContact CG2-CG 4.19Å |
| 281 | I | 98.6 | Very high | 97 | Very high | 59 Ų | 59 | 25.6 Ų | 25.6 | 30% | 0.303 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 144.9 | 173.4 | -170.7 | 163 | 0 | 0 | 0 | 111 | F64 L309 I310 E311 | F64-I281 HydrophobicContact CB-CD1 4.04Å; F64-I281 HydrophobicContact CB-CG1 4.36Å; F64-I281 HydrophobicContact CG-CD1 4.3Å; I281-L309 PolarHBondContact N-O 2.65Å; I281-I310 HydrophobicContact CG2-CB 4.35Å; I281-I310 HydrophobicContact CG2-CG1 3.86Å; I281-I310 HydrophobicContact CG2-CG2 4.33Å; I281-I310 WeakPolarHBondContact O-CA 3.35Å; I281-E311 PolarHBondContact O-N 3.44Å |
| 282 | R | 98.7 | Very high | 97 | Very high | 14 Ų | 14 | 25.9 Ų | 25.9 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.3 | 166.1 | -176 | 179.2 | -70.4 | 153.1 | -8.1 | 109.4 | I61 I63 F64 D267 A270 E311 M313 | I61-R282 HydrophobicContact CB-CB 4.48Å; I61-R282 HydrophobicContact CG2-CB 3.77Å; I61-R282 PolarHBondContact O-NH1 2.96Å; I63-R282 HydrophobicContact CG1-CG 3.99Å; F64-R282 WeakPolarHBondContact CB-O 3.36Å; F64-R282 PolarHBondContact N-O 3.32Å; D267-R282 VanDerWaalsContact C-NH2 3.32Å; D267-R282 PolarHBondContact O-NH2 3.23Å; D267-R282 IonicContact OD1-CZ 3.99Å; D267-R282 IonicContact OD1-NH1 2.92Å; D267-R282 PolarHBondContact OD1-NH1 2.77Å; D267-R282 IonicContact OD1-NH2 3.69Å; D267-R282 PolarHBondContact OD1-NH2 2.88Å; D267-R282 IonicContact OD2-CZ 3.96Å; D267-R282 IonicContact OD2-NH1 3.57Å; D267-R282 IonicContact OD2-NH2 3.35Å; A270-R282 HydrophobicContact CB-CB 4.27Å; R282-E311 CarbonylContact C-O 3.51Å; R282-E311 WeakPolarHBondContact CA-O 3.41Å; R282-E311 HydrophobicContact CG-CB 4.46Å; R282-E311 IonicContact CZ-OE2 2.86Å; R282-E311 IonicContact NE-OE2 3.84Å; R282-E311 PolarHBondContact NE-OE2 2.85Å; R282-E311 IonicContact NH2-OE2 3.21Å; R282-E311 PolarHBondContact NH2-OE2 3.28Å; R282-M313 HydrophobicContact CG-CG 3.55Å; R282-M313 HydrophobicContact CG-SD 3.81Å |
| 283 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 147.2 | -172.5 | 63 | 0 | 0 | 0 | 0 | 110.8 | F64 G285 A290 I291 I310 E311 A312 M313 | F64-V283 HydrophobicContact CB-CG2 4.45Å; F64-V283 HydrophobicContact CD1-CG2 4.03Å; F64-V283 WeakPolarHBondContact O-CG2 3.4Å; V283-G285 PolarHBondContact O-N 3.37Å; V283-A290 HydrophobicContact CG2-CB 3.54Å; V283-I291 HydrophobicContact CB-CD1 4.29Å; V283-I291 HydrophobicContact CG1-CD1 3.4Å; V283-I291 HydrophobicContact CG2-CD1 3.88Å; V283-I310 HydrophobicContact CG1-CG2 3.57Å; V283-E311 PolarHBondContact N-O 3.35Å; V283-A312 HydrophobicContact CG1-CB 4Å; V283-A312 WeakPolarHBondContact O-CA 3.3Å; V283-M313 PolarHBondContact O-N 3.47Å |
| 284 | D | 97.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 24.4 Ų | 24.4 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 117.5 | 169.7 | 177.1 | -14.7 | 0 | 0 | 0 | 108.1 | I63 F64 R65 N286 D287 R347 | I63-D284 HydrophobicContact CG2-CB 3.9Å; F64-D284 PolarHBondContact O-N 3Å; R65-D284 HydrophobicContact CB-CB 4.17Å; R65-D284 WeakPolarHBondContact CD-OD2 3.21Å; R65-D284 HydrophobicContact CG-CB 4.16Å; D284-N286 VanDerWaalsContact C-N 3.29Å; D284-N286 PolarHBondContact O-N 2.98Å; D284-N286 WeakPolarHBondContact OD1-CA 3.12Å; D284-N286 WeakPolarHBondContact OD1-CB 3.1Å; D284-N286 PolarHBondContact OD1-N 3.28Å; D284-D287 HydrophobicContact CB-CB 3.78Å; D284-D287 WeakPolarHBondContact O-CA 3.44Å; D284-D287 PolarHBondContact O-N 2.95Å; D284-D287 PolarHBondContact OD1-N 3.07Å; D284-D287 VanDerWaalsContact OD1-N 3.09Å; D284-R347 IonicContact OD1-NH1 3.07Å; D284-R347 IonicContact OD2-CZ 2.91Å; D284-R347 IonicContact OD2-NH1 3.65Å; D284-R347 PolarHBondContact OD2-NH1 3.42Å |
| 285 | G | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -75.9 | -15.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A124 C125 V283 M313 | A124-G285 WeakPolarHBondContact CB-O 3.39Å; C125-G285 VanDerWaalsContact SG-CA 3.52Å; C125-G285 PolarHBondContact SG-O 3.02Å; V283-G285 PolarHBondContact O-N 3.37Å; G285-M313 VanDerWaalsContact CA-O 3.27Å; G285-M313 WeakPolarHBondContact CA-O 3.48Å; G285-M313 PolarHBondContact N-O 2.78Å |
| 286 | N | 97.2 | Very high | 97 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.032 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -91.5 | -19.1 | 174.6 | -56 | -39 | 0 | 0 | 0 | 111.4 | G121 D284 I288 T314 N342 P344 R347 | G121-N286 PolarHBondContact O-OD1 3.02Å; D284-N286 VanDerWaalsContact C-N 3.29Å; D284-N286 PolarHBondContact O-N 2.98Å; D284-N286 WeakPolarHBondContact OD1-CA 3.12Å; D284-N286 WeakPolarHBondContact OD1-CB 3.1Å; D284-N286 PolarHBondContact OD1-N 3.28Å; N286-I288 PolarHBondContact O-N 3.44Å; N286-I288 VanDerWaalsContact O-N 3.11Å; N286-T314 PolarHBondContact OD1-OG1 3.06Å; N286-N342 WeakPolarHBondContact CB-O 3.5Å; N286-N342 PolarHBondContact ND2-O 3.19Å; N286-N342 VanDerWaalsContact ND2-O 3.11Å; N286-P344 HydrophobicContact CB-CB 4.21Å; N286-R347 PolarHBondContact O-NE 2.88Å |
| 287 | D | 96 | Very high | 97 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -21.1 | 39.4 | 142.4 | -131.4 | -4.7 | 0 | 0 | 0 | 127.6 | R65 V66 M67 D284 F289 A290 I291 R347 | R65-D287 HydrophobicContact CG-CB 4.27Å; R65-D287 VanDerWaalsContact CG-OD2 3.28Å; R65-D287 WeakPolarHBondContact CG-OD2 3.39Å; V66-D287 WeakPolarHBondContact CA-OD2 3.46Å; V66-D287 PolarHBondContact N-OD2 3.26Å; M67-D287 PolarHBondContact N-OD2 3.07Å; D284-D287 HydrophobicContact CB-CB 3.78Å; D284-D287 WeakPolarHBondContact O-CA 3.44Å; D284-D287 PolarHBondContact O-N 2.95Å; D284-D287 PolarHBondContact OD1-N 3.07Å; D284-D287 VanDerWaalsContact OD1-N 3.09Å; D287-F289 PolarHBondContact O-N 2.98Å; D287-F289 PolarHBondContact OD1-N 3.4Å; D287-A290 HydrophobicContact CB-CB 3.51Å; D287-A290 CarbonylContact O-C 3.53Å; D287-A290 WeakPolarHBondContact O-CA 3.42Å; D287-A290 PolarHBondContact O-N 2.95Å; D287-A290 PolarHBondContact OD1-N 3.33Å; D287-I291 WeakPolarHBondContact O-CG1 3.4Å; D287-I291 PolarHBondContact O-N 3.14Å; D287-R347 VanDerWaalsContact CB-CZ 3.47Å; D287-R347 VanDerWaalsContact N-NH1 3.19Å; D287-R347 IonicContact OD1-NH2 2.76Å; D287-R347 PolarHBondContact OD1-NH2 3.42Å; D287-R347 IonicContact OD2-NH2 3.45Å; D287-R347 PolarHBondContact OD2-NH2 2.94Å; D287-R347 VanDerWaalsContact OD2-NH2 3.07Å | ||
| 288 | I | 96.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -53.7 | -34.9 | -170.4 | -159 | 164.1 | 0 | 0 | 0 | 115.5 | M90 M94 A124 I127 N286 Y292 L348 | M90-I288 HydrophobicContact CB-CD1 3.69Å; M90-I288 HydrophobicContact CG-CD1 4.02Å; M90-I288 HydrophobicContact SD-CD1 3.89Å; M90-I288 HydrophobicContact SD-CG1 3.99Å; M94-I288 HydrophobicContact SD-CD1 3.69Å; A124-I288 HydrophobicContact CB-CB 3.78Å; A124-I288 HydrophobicContact CB-CD1 4.44Å; A124-I288 HydrophobicContact CB-CG1 4.16Å; I127-I288 HydrophobicContact CB-CD1 4.43Å; I127-I288 HydrophobicContact CG2-CD1 4.17Å; N286-I288 PolarHBondContact O-N 3.44Å; N286-I288 VanDerWaalsContact O-N 3.11Å; I288-Y292 WeakPolarHBondContact O-CB 3.5Å; I288-Y292 PolarHBondContact O-N 2.98Å; I288-L348 HydrophobicContact CD1-CD2 4.21Å; I288-L348 HydrophobicContact CG2-CD1 4.07Å; I288-L348 HydrophobicContact CG2-CD2 4.16Å; I288-L348 HydrophobicContact CG2-CG 4.49Å |
| 289 | F | 95.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 4% | 0.044 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -76.8 | -35.2 | 177.1 | -62.3 | -45 | 0 | 0 | 0 | 112 | V66 M67 L73 I82 A87 D287 S293 L348 F351 | V66-F289 HydrophobicContact CB-CB 4.15Å; V66-F289 HydrophobicContact CG1-CB 3.86Å; M67-F289 HydrophobicContact CB-CD2 4.44Å; M67-F289 HydrophobicContact CE-CD2 4.11Å; M67-F289 HydrophobicContact CE-CE2 4.19Å; M67-F289 HydrophobicContact SD-CD2 4.14Å; M67-F289 HydrophobicContact SD-CE2 4.01Å; L73-F289 HydrophobicContact CD2-CD2 4.16Å; L73-F289 HydrophobicContact CD2-CE2 4.45Å; I82-F289 HydrophobicContact CB-CE1 4.48Å; I82-F289 HydrophobicContact CD1-CD1 3.99Å; I82-F289 HydrophobicContact CD1-CD2 3.56Å; I82-F289 HydrophobicContact CD1-CE1 4.06Å; I82-F289 HydrophobicContact CD1-CE2 3.62Å; I82-F289 HydrophobicContact CD1-CG 3.77Å; I82-F289 HydrophobicContact CD1-CZ 3.89Å; I82-F289 HydrophobicContact CG1-CD1 4.05Å; I82-F289 HydrophobicContact CG1-CD2 4.49Å; I82-F289 HydrophobicContact CG1-CE1 4.11Å; I82-F289 HydrophobicContact CG1-CG 4.27Å; I82-F289 HydrophobicContact CG1-CZ 4.36Å; I82-F289 HydrophobicContact CG2-CD1 4.23Å; I82-F289 HydrophobicContact CG2-CE1 3.49Å; I82-F289 VanDerWaalsContact CG2-CE1 3.49Å; I82-F289 HydrophobicContact CG2-CE2 4.46Å; I82-F289 HydrophobicContact CG2-CZ 3.63Å; A87-F289 HydrophobicContact CB-CE1 4.11Å; A87-F289 HydrophobicContact CB-CZ 4.07Å; D287-F289 PolarHBondContact O-N 2.98Å; D287-F289 PolarHBondContact OD1-N 3.4Å; F289-S293 WeakPolarHBondContact O-CB 3.27Å; F289-S293 PolarHBondContact O-N 2.7Å; F289-S293 PolarHBondContact O-OG 3.49Å; F289-L348 HydrophobicContact CE1-CD1 4.39Å; F289-L348 HydrophobicContact CE2-CD1 4.2Å; F289-L348 HydrophobicContact CZ-CD1 3.71Å; F289-F351 AromaticContact CE2-CD1 3.74Å; F289-F351 HydrophobicContact CE2-CD1 3.74Å; F289-F351 HydrophobicContact CE2-CD2 4.15Å; F289-F351 AromaticContact CE2-CE1 3.76Å; F289-F351 HydrophobicContact CE2-CE1 3.76Å; F289-F351 HydrophobicContact CE2-CE2 4.16Å; F289-F351 AromaticContact CE2-CG 3.94Å; F289-F351 HydrophobicContact CE2-CG 3.94Å; F289-F351 AromaticContact CE2-CZ 3.97Å; F289-F351 HydrophobicContact CE2-CZ 3.97Å; F289-F351 AromaticContact CZ-CD1 3.71Å; F289-F351 HydrophobicContact CZ-CD1 3.71Å; F289-F351 AromaticContact CZ-CE1 3.51Å; F289-F351 HydrophobicContact CZ-CE1 3.51Å; F289-F351 HydrophobicContact CZ-CG 4.38Å; F289-F351 HydrophobicContact CZ-CZ 4.04Å |
| 290 | A | 95.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F64 V66 V283 D287 S293 C294 | F64-A290 HydrophobicContact CD1-CB 3.79Å; F64-A290 HydrophobicContact CE1-CB 3.84Å; V66-A290 HydrophobicContact CB-CB 4.26Å; V66-A290 HydrophobicContact CG2-CB 3.85Å; V283-A290 HydrophobicContact CG2-CB 3.54Å; D287-A290 HydrophobicContact CB-CB 3.51Å; D287-A290 CarbonylContact O-C 3.53Å; D287-A290 WeakPolarHBondContact O-CA 3.42Å; D287-A290 PolarHBondContact O-N 2.95Å; D287-A290 PolarHBondContact OD1-N 3.33Å; A290-S293 PolarHBondContact O-N 3.21Å; A290-C294 VanDerWaalsContact O-CB 3.31Å; A290-C294 WeakPolarHBondContact O-CB 3.41Å; A290-C294 PolarHBondContact O-N 2.7Å; A290-C294 PolarHBondContact O-SG 3.41Å |
| 291 | I | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.3 | -51.9 | 174.6 | -66.2 | -50.4 | 0 | 0 | 0 | 110.3 | S129 F248 V283 D287 S293 C294 V295 A312 | S129-I291 VanDerWaalsContact N-CG2 3.33Å; F248-I291 HydrophobicContact CE2-CD1 4.44Å; F248-I291 HydrophobicContact CE2-CG2 4.03Å; F248-I291 HydrophobicContact CZ-CD1 3.93Å; F248-I291 HydrophobicContact CZ-CG2 3.96Å; V283-I291 HydrophobicContact CB-CD1 4.29Å; V283-I291 HydrophobicContact CG1-CD1 3.4Å; V283-I291 HydrophobicContact CG2-CD1 3.88Å; D287-I291 WeakPolarHBondContact O-CG1 3.4Å; D287-I291 PolarHBondContact O-N 3.14Å; I291-S293 PolarHBondContact O-N 2.81Å; I291-C294 PolarHBondContact O-N 3.49Å; I291-V295 HydrophobicContact CG2-CG2 4.47Å; I291-V295 WeakPolarHBondContact O-CG2 3.39Å; I291-V295 PolarHBondContact O-N 3.16Å; I291-A312 HydrophobicContact CD1-CB 3.9Å |
| 292 | Y | 96.7 | Very high | 97.1 | Very high | 41 Ų | 41 | 21.9 Ų | 21.9 | 16% | 0.161 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.8 | -51.1 | 178.1 | 177.4 | -91.9 | 0 | 0 | 0 | 111.5 | I80 L86 M90 A131 A132 I288 C294 V295 E296 | I80-Y292 HydrophobicContact CD1-CD1 4.05Å; I80-Y292 HydrophobicContact CD1-CE1 4.14Å; L86-Y292 HydrophobicContact CD2-CD2 4.41Å; L86-Y292 HydrophobicContact CD2-CE1 4.36Å; L86-Y292 HydrophobicContact CD2-CE2 3.82Å; M90-Y292 HydrophobicContact CE-CD2 3.46Å; M90-Y292 VanDerWaalsContact CE-CD2 3.46Å; M90-Y292 HydrophobicContact CE-CE2 4.11Å; M90-Y292 HydrophobicContact CE-CG 3.96Å; A131-Y292 HydrophobicContact CB-CD2 3.86Å; A131-Y292 HydrophobicContact CB-CE2 4.12Å; A131-Y292 WeakPolarHBondContact O-CE2 3.23Å; A132-Y292 HydrophobicContact CB-CD2 3.76Å; A132-Y292 HydrophobicContact CB-CE2 4.02Å; A132-Y292 HydrophobicContact CB-CG 4.3Å; A132-Y292 WeakPolarHBondContact CB-O 3.38Å; I288-Y292 WeakPolarHBondContact O-CB 3.5Å; I288-Y292 PolarHBondContact O-N 2.98Å; Y292-C294 PolarHBondContact O-N 3.27Å; Y292-V295 PolarHBondContact O-N 3.33Å; Y292-E296 WeakPolarHBondContact O-CB 3.29Å; Y292-E296 PolarHBondContact O-N 3.2Å |
| 293 | S | 94.5 | Very high | 97 | Very high | 20 Ų | 20 | 23.9 Ų | 23.9 | 14% | 0.14 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | -178.8 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | I80 F289 A290 I291 H297 | I80-S293 WeakPolarHBondContact CD1-OG 3.21Å; F289-S293 WeakPolarHBondContact O-CB 3.27Å; F289-S293 PolarHBondContact O-N 2.7Å; F289-S293 PolarHBondContact O-OG 3.49Å; A290-S293 PolarHBondContact O-N 3.21Å; I291-S293 PolarHBondContact O-N 2.81Å; S293-H297 WeakPolarHBondContact O-CB 3.42Å; S293-H297 PolarHBondContact O-N 2.99Å |
| 294 | C | 95.6 | Very high | 97 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.054 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 179.9 | -74.8 | 0 | 0 | 0 | 0 | 111.9 | F64 A290 I291 Y292 H297 A298 I310 | F64-C294 WeakPolarHBondContact CD1-SG 3.43Å; A290-C294 VanDerWaalsContact O-CB 3.31Å; A290-C294 WeakPolarHBondContact O-CB 3.41Å; A290-C294 PolarHBondContact O-N 2.7Å; A290-C294 PolarHBondContact O-SG 3.41Å; I291-C294 PolarHBondContact O-N 3.49Å; Y292-C294 PolarHBondContact O-N 3.27Å; C294-H297 PolarHBondContact O-N 3.39Å; C294-A298 VanDerWaalsContact O-CB 3.23Å; C294-A298 WeakPolarHBondContact O-CB 3.35Å; C294-A298 PolarHBondContact O-N 3.35Å; C294-I310 HydrophobicContact CB-CD1 4.29Å |
| 295 | V | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.4 | -38.6 | -179 | 175.5 | 0 | 0 | 0 | 0 | 111 | A132 L133 L218 F248 I291 Y292 H297 A298 R299 I310 | A132-V295 HydrophobicContact CB-CB 3.73Å; A132-V295 HydrophobicContact CB-CG1 3.72Å; L133-V295 HydrophobicContact CD2-CG1 4.04Å; L133-V295 HydrophobicContact CG-CG1 4.33Å; L218-V295 HydrophobicContact CD1-CG1 3.92Å; F248-V295 HydrophobicContact CD2-CG2 3.85Å; F248-V295 HydrophobicContact CE2-CG2 3.63Å; I291-V295 HydrophobicContact CG2-CG2 4.47Å; I291-V295 WeakPolarHBondContact O-CG2 3.39Å; I291-V295 PolarHBondContact O-N 3.16Å; Y292-V295 PolarHBondContact O-N 3.33Å; V295-H297 VanDerWaalsContact C-N 3.31Å; V295-H297 PolarHBondContact O-N 2.97Å; V295-A298 PolarHBondContact O-N 2.9Å; V295-R299 WeakPolarHBondContact O-CB 3.26Å; V295-R299 PolarHBondContact O-N 2.91Å; V295-I310 HydrophobicContact CB-CD1 4.46Å; V295-I310 HydrophobicContact CG2-CD1 3.68Å |
| 296 | E | 96.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 33.9 Ų | 33.9 | 29% | 0.285 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.2 | -43 | 175.6 | -164.6 | -149.7 | -135 | 0 | 0 | 110.7 | A132 Y292 K300 | A132-E296 HydrophobicContact CB-CB 4.11Å; Y292-E296 WeakPolarHBondContact O-CB 3.29Å; Y292-E296 PolarHBondContact O-N 3.2Å; E296-K300 WeakPolarHBondContact O-CG 3.29Å; E296-K300 PolarHBondContact O-N 3.37Å; E296-K300 IonicContact OE1-NZ 2.74Å; E296-K300 IonicContact OE2-NZ 2.74Å; E296-K300 PolarHBondContact OE2-NZ 3.48Å |
| 297 | H | 96.6 | Very high | 96.9 | Very high | 108 Ų | 108 | 33.8 Ų | 33.8 | 50% | 0.5 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.5 | -44.4 | 176.1 | -167.8 | 77.8 | 0 | 0 | 0 | 112.3 | S293 C294 V295 R299 K300 L301 | S293-H297 WeakPolarHBondContact O-CB 3.42Å; S293-H297 PolarHBondContact O-N 2.99Å; C294-H297 PolarHBondContact O-N 3.39Å; V295-H297 VanDerWaalsContact C-N 3.31Å; V295-H297 PolarHBondContact O-N 2.97Å; H297-R299 VanDerWaalsContact C-N 3.28Å; H297-R299 PolarHBondContact O-N 3.06Å; H297-K300 WeakPolarHBondContact O-CB 3.45Å; H297-K300 PolarHBondContact O-N 3.45Å; H297-K300 VanDerWaalsContact O-N 3.09Å; H297-L301 PolarHBondContact O-N 3.11Å; H297-L301 VanDerWaalsContact O-N 3.09Å |
| 298 | A | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I246 C294 V295 K300 L301 A302 C308 I310 | I246-A298 HydrophobicContact CD1-CB 4.07Å; I246-A298 HydrophobicContact CG1-CB 4.23Å; I246-A298 HydrophobicContact CG2-CB 4.12Å; C294-A298 VanDerWaalsContact O-CB 3.23Å; C294-A298 WeakPolarHBondContact O-CB 3.35Å; C294-A298 PolarHBondContact O-N 3.35Å; V295-A298 PolarHBondContact O-N 2.9Å; A298-K300 VanDerWaalsContact C-N 3.34Å; A298-K300 PolarHBondContact O-N 2.99Å; A298-L301 PolarHBondContact O-N 3.03Å; A298-A302 VanDerWaalsContact O-CB 3.25Å; A298-A302 WeakPolarHBondContact O-CB 3.48Å; A298-A302 PolarHBondContact O-N 3.47Å; A298-C308 HydrophobicContact CB-CB 3.83Å; A298-C308 PolarHBondContact O-SG 3.37Å; A298-I310 HydrophobicContact CB-CD1 3.8Å; A298-I310 HydrophobicContact CB-CG1 4.44Å |
| 299 | R | 98.2 | Very high | 97.2 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 11% | 0.113 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.2 | -46.5 | 172.5 | -174.1 | -178 | -175.5 | -77.1 | -10.4 | 111.5 | Q134 D137 D214 V216 I246 V295 H297 L301 A302 L303 | Q134-R299 VanDerWaalsContact CG-CZ 3.43Å; D137-R299 IonicContact OD1-NE 3.69Å; D137-R299 IonicContact OD1-NH2 2.72Å; D137-R299 PolarHBondContact OD1-NH2 2.83Å; D137-R299 IonicContact OD2-CZ 2.83Å; D137-R299 IonicContact OD2-NE 3.66Å; D137-R299 PolarHBondContact OD2-NE 3.27Å; D137-R299 IonicContact OD2-NH2 3.51Å; D214-R299 PolarHBondContact O-NH2 3.47Å; D214-R299 IonicContact OD1-NH2 2.74Å; V216-R299 HydrophobicContact CG1-CG 4Å; V216-R299 HydrophobicContact CG2-CG 3.96Å; I246-R299 HydrophobicContact CD1-CB 4.08Å; V295-R299 WeakPolarHBondContact O-CB 3.26Å; V295-R299 PolarHBondContact O-N 2.91Å; H297-R299 VanDerWaalsContact C-N 3.28Å; H297-R299 PolarHBondContact O-N 3.06Å; R299-L301 PolarHBondContact O-N 2.76Å; R299-A302 PolarHBondContact O-N 2.83Å; R299-L303 HydrophobicContact CG-CD1 4.18Å; R299-L303 WeakPolarHBondContact O-CD1 3.46Å; R299-L303 VanDerWaalsContact O-CG 3.28Å; R299-L303 WeakPolarHBondContact O-CG 3.45Å; R299-L303 PolarHBondContact O-N 2.78Å; R299-L303 VanDerWaalsContact O-N 3.11Å |
| 300 | K | 97.8 | Very high | 97.4 | Very high | 100 Ų | 100 | 33.4 Ų | 33.4 | 44% | 0.435 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.8 | -65.4 | 165.1 | -177.1 | 163.2 | 0 | 111.4 | E296 H297 A298 Q304 | E296-K300 WeakPolarHBondContact O-CG 3.29Å; E296-K300 PolarHBondContact O-N 3.37Å; E296-K300 IonicContact OE1-NZ 2.74Å; E296-K300 IonicContact OE2-NZ 2.74Å; E296-K300 PolarHBondContact OE2-NZ 3.48Å; H297-K300 WeakPolarHBondContact O-CB 3.45Å; H297-K300 PolarHBondContact O-N 3.45Å; H297-K300 VanDerWaalsContact O-N 3.09Å; A298-K300 VanDerWaalsContact C-N 3.34Å; A298-K300 PolarHBondContact O-N 2.99Å; K300-Q304 WeakPolarHBondContact O-CG 3.48Å; K300-Q304 PolarHBondContact O-N 3.09Å |
| 301 | L | 98.2 | Very high | 97.5 | Very high | 36 Ų | 36 | 33.4 Ų | 33.4 | 19% | 0.188 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.4 | -45.1 | 177.9 | -65.8 | 178.9 | 0 | 0 | 0 | 112.7 | A279 H297 A298 R299 L303 Q304 G305 Q306 | A279-L301 HydrophobicContact CB-CD1 4.25Å; H297-L301 PolarHBondContact O-N 3.11Å; H297-L301 VanDerWaalsContact O-N 3.09Å; A298-L301 PolarHBondContact O-N 3.03Å; R299-L301 PolarHBondContact O-N 2.76Å; L301-L303 VanDerWaalsContact C-N 3.31Å; L301-L303 PolarHBondContact O-N 3.25Å; L301-Q304 CarbonylContact O-C 3.54Å; L301-Q304 WeakPolarHBondContact O-CA 3.41Å; L301-Q304 WeakPolarHBondContact O-CB 3.46Å; L301-Q304 PolarHBondContact O-N 2.88Å; L301-G305 PolarHBondContact O-N 2.99Å; L301-Q306 CarbonylContact C-O 3.36Å; L301-Q306 HydrophobicContact CB-CB 4.31Å; L301-Q306 WeakPolarHBondContact O-CB 3.4Å; L301-Q306 PolarHBondContact O-N 3.39Å; L301-Q306 VanDerWaalsContact O-N 3.13Å |
| 302 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.9 | -43.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V216 P244 I246 A298 R299 Q304 G305 Q306 | V216-A302 HydrophobicContact CG1-CB 3.88Å; P244-A302 VanDerWaalsContact CA-O 3.26Å; P244-A302 WeakPolarHBondContact CA-O 3.33Å; P244-A302 WeakPolarHBondContact CB-O 3.38Å; I246-A302 HydrophobicContact CG1-CB 4.06Å; A298-A302 VanDerWaalsContact O-CB 3.25Å; A298-A302 WeakPolarHBondContact O-CB 3.48Å; A298-A302 PolarHBondContact O-N 3.47Å; R299-A302 PolarHBondContact O-N 2.83Å; A302-Q304 PolarHBondContact O-N 3.33Å; A302-G305 WeakPolarHBondContact O-CA 3.46Å; A302-G305 PolarHBondContact O-N 3.04Å; A302-Q306 VanDerWaalsContact CA-O 3.23Å; A302-Q306 WeakPolarHBondContact CA-O 3.38Å; A302-Q306 PolarHBondContact N-O 3.37Å |
| 303 | L | 97.7 | Very high | 97.7 | Very high | 57 Ų | 57 | 33.7 Ų | 33.7 | 30% | 0.298 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.2 | -25.4 | 175.4 | -69.5 | 166.8 | 0 | 0 | 0 | 113.5 | D214 V216 R299 L301 G305 | D214-L303 WeakPolarHBondContact OD1-CD1 3.36Å; D214-L303 VanDerWaalsContact OD1-CD2 3.31Å; D214-L303 WeakPolarHBondContact OD1-CD2 3.41Å; V216-L303 HydrophobicContact CG1-CD1 4.48Å; V216-L303 HydrophobicContact CG1-CD2 3.74Å; V216-L303 HydrophobicContact CG1-CG 3.68Å; R299-L303 HydrophobicContact CG-CD1 4.18Å; R299-L303 WeakPolarHBondContact O-CD1 3.46Å; R299-L303 VanDerWaalsContact O-CG 3.28Å; R299-L303 WeakPolarHBondContact O-CG 3.45Å; R299-L303 PolarHBondContact O-N 2.78Å; R299-L303 VanDerWaalsContact O-N 3.11Å; L301-L303 VanDerWaalsContact C-N 3.31Å; L301-L303 PolarHBondContact O-N 3.25Å; L303-G305 PolarHBondContact O-N 3.49Å |
| 304 | Q | 96.9 | Very high | 97.8 | Very high | 124 Ų | 124 | 33 Ų | 33 | 58% | 0.579 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 7.7 | 173.7 | -63.2 | 170.2 | 2.7 | 0 | 0 | 113 | K300 L301 A302 | K300-Q304 WeakPolarHBondContact O-CG 3.48Å; K300-Q304 PolarHBondContact O-N 3.09Å; L301-Q304 CarbonylContact O-C 3.54Å; L301-Q304 WeakPolarHBondContact O-CA 3.41Å; L301-Q304 WeakPolarHBondContact O-CB 3.46Å; L301-Q304 PolarHBondContact O-N 2.88Å; A302-Q304 PolarHBondContact O-N 3.33Å |
| 305 | G | 96 | Very high | 97.8 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 13% | 0.134 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 30.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | R242 L301 A302 L303 | R242-G305 WeakPolarHBondContact CB-O 3.34Å; R242-G305 PolarHBondContact NE-O 3.15Å; L301-G305 PolarHBondContact O-N 2.99Å; A302-G305 WeakPolarHBondContact O-CA 3.46Å; A302-G305 PolarHBondContact O-N 3.04Å; L303-G305 PolarHBondContact O-N 3.49Å |
| 306 | Q | 97.4 | Very high | 97.8 | Very high | 91 Ų | 91 | 32.9 Ų | 32.9 | 43% | 0.425 | 16% | 0.159 | S | C | . | . | trans | -113.1 | 94.1 | 169.9 | -62 | -173.9 | 10.5 | 0 | 0 | 109.2 | L301 A302 C308 | L301-Q306 CarbonylContact C-O 3.36Å; L301-Q306 HydrophobicContact CB-CB 4.31Å; L301-Q306 WeakPolarHBondContact O-CB 3.4Å; L301-Q306 PolarHBondContact O-N 3.39Å; L301-Q306 VanDerWaalsContact O-N 3.13Å; A302-Q306 VanDerWaalsContact CA-O 3.23Å; A302-Q306 WeakPolarHBondContact CA-O 3.38Å; A302-Q306 PolarHBondContact N-O 3.37Å; Q306-C308 PolarHBondContact O-SG 2.91Å; Q306-C308 VanDerWaalsContact O-SG 3.34Å | ||
| 307 | P | 98.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | trans | -60.3 | 140.3 | 177.2 | 28.2 | -37.7 | 0 | 0 | 0 | 110.8 | A238 V245 L278 A279 | A238-P307 HydrophobicContact CB-CB 3.95Å; A238-P307 HydrophobicContact CB-CG 4.3Å; V245-P307 HydrophobicContact CG1-CB 3.79Å; V245-P307 WeakPolarHBondContact O-CA 3.3Å; L278-P307 HydrophobicContact CD2-CB 3.87Å; L278-P307 HydrophobicContact CD2-CG 3.54Å; A279-P307 PolarHBondContact N-O 3.47Å | ||
| 308 | C | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 148 | -172.3 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | V245 I246 F247 A279 A298 Q306 | V245-C308 PolarHBondContact O-N 2.81Å; I246-C308 HydrophobicContact CG2-CB 4.39Å; F247-C308 WeakPolarHBondContact CB-O 3.35Å; F247-C308 WeakPolarHBondContact CD2-O 3.1Å; F247-C308 PolarHBondContact N-O 3.47Å; A279-C308 CarbonylContact O-C 3.57Å; A279-C308 WeakPolarHBondContact O-CA 3.31Å; A298-C308 HydrophobicContact CB-CB 3.83Å; A298-C308 PolarHBondContact O-SG 3.37Å; Q306-C308 PolarHBondContact O-SG 2.91Å; Q306-C308 VanDerWaalsContact O-SG 3.34Å |
| 309 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120 | 167.5 | 175.2 | 62.9 | 0 | 0 | 0 | 109.6 | F221 F235 F247 V269 L278 A279 T280 I281 | F221-L309 HydrophobicContact CZ-CD1 3.92Å; F235-L309 HydrophobicContact CE1-CD1 4.31Å; F235-L309 HydrophobicContact CE2-CD2 4.41Å; F235-L309 HydrophobicContact CZ-CD1 3.96Å; F235-L309 HydrophobicContact CZ-CD2 4.29Å; F247-L309 HydrophobicContact CB-CD1 3.77Å; F247-L309 WeakPolarHBondContact O-CA 3.42Å; V269-L309 HydrophobicContact CG1-CD1 4.31Å; V269-L309 HydrophobicContact CG1-CD2 4.34Å; V269-L309 WeakPolarHBondContact O-CD2 3.38Å; L278-L309 HydrophobicContact CB-CB 4.35Å; L278-L309 HydrophobicContact CD1-CB 4.12Å; A279-L309 PolarHBondContact O-N 3.05Å; T280-L309 CarbonylContact C-O 3.59Å; T280-L309 VanDerWaalsContact CA-O 3.29Å; T280-L309 WeakPolarHBondContact CA-O 3.48Å; T280-L309 HydrophobicContact CG2-CB 4.17Å; T280-L309 HydrophobicContact CG2-CD2 4.06Å; T280-L309 HydrophobicContact CG2-CG 4.19Å; I281-L309 PolarHBondContact N-O 2.65Å |
| 310 | I | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.5 | 173.2 | -58.6 | 174.4 | 0 | 0 | 0 | 107.4 | I246 F247 F248 C249 I281 V283 C294 V295 A298 | I246-I310 HydrophobicContact CG2-CD1 3.92Å; I246-I310 HydrophobicContact CG2-CG1 4.4Å; F247-I310 PolarHBondContact O-N 3.05Å; F248-I310 HydrophobicContact CD2-CB 4.14Å; F248-I310 HydrophobicContact CD2-CD1 4.22Å; F248-I310 HydrophobicContact CD2-CG2 4.1Å; F248-I310 HydrophobicContact CE2-CG2 3.97Å; C249-I310 PolarHBondContact N-O 3.32Å; I281-I310 HydrophobicContact CG2-CB 4.35Å; I281-I310 HydrophobicContact CG2-CG1 3.86Å; I281-I310 HydrophobicContact CG2-CG2 4.33Å; I281-I310 WeakPolarHBondContact O-CA 3.35Å; V283-I310 HydrophobicContact CG1-CG2 3.57Å; C294-I310 HydrophobicContact CB-CD1 4.29Å; V295-I310 HydrophobicContact CB-CD1 4.46Å; V295-I310 HydrophobicContact CG2-CD1 3.68Å; A298-I310 HydrophobicContact CB-CD1 3.8Å; A298-I310 HydrophobicContact CB-CG1 4.44Å |
| 311 | E | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 107.1 | 168.8 | -172.6 | 179.6 | -146.3 | 0 | 0 | 109.6 | C249 N251 V269 A270 I281 R282 V283 M313 | C249-E311 HydrophobicContact CB-CG 4.47Å; N251-E311 HydrophobicContact CB-CG 3.98Å; N251-E311 PolarHBondContact ND2-OE1 2.8Å; V269-E311 HydrophobicContact CB-CG 4.44Å; V269-E311 PolarHBondContact N-OE1 3.41Å; A270-E311 HydrophobicContact CB-CB 3.83Å; A270-E311 WeakPolarHBondContact CB-OE2 3.48Å; A270-E311 PolarHBondContact N-OE2 3.18Å; I281-E311 PolarHBondContact O-N 3.44Å; R282-E311 CarbonylContact C-O 3.51Å; R282-E311 WeakPolarHBondContact CA-O 3.41Å; R282-E311 HydrophobicContact CG-CB 4.46Å; R282-E311 IonicContact CZ-OE2 2.86Å; R282-E311 IonicContact NE-OE2 3.84Å; R282-E311 PolarHBondContact NE-OE2 2.85Å; R282-E311 IonicContact NH2-OE2 3.21Å; R282-E311 PolarHBondContact NH2-OE2 3.28Å; V283-E311 PolarHBondContact N-O 3.35Å; E311-M313 HydrophobicContact CG-SD 3.69Å |
| 312 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 113.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | F248 C249 N251 V283 I291 T314 | F248-A312 HydrophobicContact CE1-CB 3.66Å; F248-A312 HydrophobicContact CZ-CB 3.75Å; C249-A312 PolarHBondContact O-N 3.21Å; N251-A312 PolarHBondContact N-O 2.91Å; V283-A312 HydrophobicContact CG1-CB 4Å; V283-A312 WeakPolarHBondContact O-CA 3.3Å; I291-A312 HydrophobicContact CD1-CB 3.9Å; A312-T314 PolarHBondContact O-N 3.45Å |
| 313 | M | 98.3 | Very high | 97.1 | Very high | 47 Ų | 47 | 27.4 Ų | 27.4 | 23% | 0.232 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 108 | 180 | -53.3 | -52.3 | -61.5 | 0 | 0 | 109.7 | I63 N251 R282 V283 G285 E311 | I63-M313 HydrophobicContact CD1-CG 4.06Å; I63-M313 HydrophobicContact CG1-CG 4.25Å; N251-M313 HydrophobicContact CB-CE 4.13Å; N251-M313 HydrophobicContact CB-SD 3.98Å; R282-M313 HydrophobicContact CG-CG 3.55Å; R282-M313 HydrophobicContact CG-SD 3.81Å; V283-M313 PolarHBondContact O-N 3.47Å; G285-M313 VanDerWaalsContact CA-O 3.27Å; G285-M313 WeakPolarHBondContact CA-O 3.48Å; G285-M313 PolarHBondContact N-O 2.78Å; E311-M313 HydrophobicContact CG-SD 3.69Å |
| 314 | T | 97.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | trans | -135.1 | -169.9 | -178.1 | -174.8 | 0 | 0 | 0 | 0 | 110 | G121 E122 N251 N252 N286 A312 | G121-T314 PolarHBondContact O-OG1 3.37Å; E122-T314 HydrophobicContact CG-CG2 3.93Å; N251-T314 PolarHBondContact O-N 3.29Å; N252-T314 WeakPolarHBondContact CA-O 3.48Å; N252-T314 HydrophobicContact CB-CG2 3.75Å; N286-T314 PolarHBondContact OD1-OG1 3.06Å; A312-T314 PolarHBondContact O-N 3.45Å | ||
| 315 | Y | 96.8 | Very high | 97 | Very high | 3 Ų | 3 | 24 Ų | 24 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | trans | -143.2 | 129.6 | 176.7 | -174.6 | -93.9 | 0 | 0 | 0 | 110.7 | A253 Y254 L317 E334 V335 W338 | A253-Y315 HydrophobicContact CB-CD2 4.41Å; Y254-Y315 HydrophobicContact CD2-CE2 4.43Å; Y254-Y315 HydrophobicContact CE2-CE2 4.1Å; Y315-L317 HydrophobicContact CD1-CD2 3.78Å; Y315-L317 HydrophobicContact CD1-CG 4.24Å; Y315-L317 HydrophobicContact CE1-CD2 4.18Å; Y315-L317 PolarHBondContact O-N 2.76Å; Y315-E334 HydrophobicContact CE2-CG 4.17Å; Y315-E334 VanDerWaalsContact CE2-OE1 3.27Å; Y315-E334 WeakPolarHBondContact CE2-OE1 3.3Å; Y315-E334 PolarHBondContact OH-OE1 2.87Å; Y315-V335 HydrophobicContact CE1-CG2 4.34Å; Y315-V335 WeakPolarHBondContact OH-CG2 3.32Å; Y315-W338 HydrophobicContact CD1-CB 3.48Å; Y315-W338 VanDerWaalsContact CD1-CB 3.48Å; Y315-W338 AromaticContact CD1-CD1 3.68Å; Y315-W338 HydrophobicContact CD1-CD2 4.22Å; Y315-W338 AromaticContact CD1-CG 3.52Å; Y315-W338 HydrophobicContact CD1-CG 3.52Å; Y315-W338 AromaticContact CD2-CD1 3.34Å; Y315-W338 AromaticContact CD2-CD2 3.93Å; Y315-W338 HydrophobicContact CD2-CD2 3.93Å; Y315-W338 AromaticContact CD2-CE2 3.66Å; Y315-W338 AromaticContact CD2-CG 3.76Å; Y315-W338 HydrophobicContact CD2-CG 3.76Å; Y315-W338 HydrophobicContact CD2-CZ2 4.38Å; Y315-W338 AromaticContact CD2-NE1 3.28Å; Y315-W338 VanDerWaalsContact CD2-NE1 3.28Å; Y315-W338 HydrophobicContact CE1-CB 3.99Å; Y315-W338 AromaticContact CE1-CD1 3.81Å; Y315-W338 HydrophobicContact CE1-CG 4.05Å; Y315-W338 AromaticContact CE2-CD1 3.5Å; Y315-W338 VanDerWaalsContact CE2-CD1 3.5Å; Y315-W338 HydrophobicContact CE2-CG 4.26Å; Y315-W338 AromaticContact CE2-NE1 3.61Å; Y315-W338 HydrophobicContact CG-CB 3.82Å; Y315-W338 AromaticContact CG-CD1 3.42Å; Y315-W338 VanDerWaalsContact CG-CD1 3.42Å; Y315-W338 AromaticContact CG-CD2 3.58Å; Y315-W338 HydrophobicContact CG-CD2 3.58Å; Y315-W338 AromaticContact CG-CE2 3.84Å; Y315-W338 HydrophobicContact CG-CE3 4.25Å; Y315-W338 AromaticContact CG-CG 3.33Å; Y315-W338 HydrophobicContact CG-CG 3.33Å; Y315-W338 AromaticContact CG-NE1 3.72Å; Y315-W338 AromaticContact CZ-CD1 3.72Å | ||
| 316 | R | 96.2 | Very high | 97 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.011 | 13% | 0.133 | C | C | . | . | trans | -74.6 | 93.8 | 179 | -168.2 | -176 | 75.2 | -151.5 | 7.3 | 110.1 | N252 Y254 I256 G318 D324 Y329 R330 | N252-R316 HydrophobicContact CB-CB 4.07Å; N252-R316 PolarHBondContact O-N 3.22Å; Y254-R316 PolarHBondContact O-NH1 3.37Å; I256-R316 PolarHBondContact O-NH1 3.46Å; I256-R316 PolarHBondContact O-NH2 3.43Å; R316-G318 PolarHBondContact O-N 2.95Å; R316-D324 IonicContact NH2-OD2 2.69Å; R316-Y329 PolarHBondContact NH2-OH 3.3Å; R316-R330 PolarHBondContact O-NH1 2.65Å | ||
| 317 | L | 94.3 | Very high | 96.8 | Very high | 18 Ų | 18 | 23.9 Ų | 23.9 | 9% | 0.094 | 14% | 0.14 | C | C | . | . | trans | -67.6 | -38.6 | -176.5 | -71.5 | 172.3 | 0 | 0 | 0 | 112.5 | L120 Y315 W338 | L120-L317 HydrophobicContact CB-CB 4.22Å; L120-L317 HydrophobicContact CD2-CB 3.7Å; L120-L317 HydrophobicContact CG-CB 3.72Å; L120-L317 HydrophobicContact CG-CD1 4.08Å; L120-L317 WeakPolarHBondContact O-CB 3.38Å; L120-L317 PolarHBondContact O-N 3.46Å; Y315-L317 HydrophobicContact CD1-CD2 3.78Å; Y315-L317 HydrophobicContact CD1-CG 4.24Å; Y315-L317 HydrophobicContact CE1-CD2 4.18Å; Y315-L317 PolarHBondContact O-N 2.76Å; L317-W338 HydrophobicContact CD2-CB 3.76Å | ||
| 318 | G | 93.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -75.1 | 174 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R316 R330 | R316-G318 PolarHBondContact O-N 2.95Å; G318-R330 PolarHBondContact O-NH2 3.35Å |
| 319 | H | 96.2 | Very high | 96.6 | Very high | 53 Ų | 53 | 30.5 Ų | 30.5 | 25% | 0.245 | 18% | 0.183 | C | C | . | . | trans | -61.3 | 165.5 | 164 | -55.3 | -53.1 | 0 | 0 | 0 | 110.9 | Y105 S321 D324 D325 S326 | Y105-H319 PolarHBondContact OH-CD2 2.86Å; H319-S321 VanDerWaalsContact C-N 3.35Å; H319-D324 HydrophobicContact CB-CB 4.4Å; H319-D325 IonicContact CE1-OD1 3.49Å; H319-S326 WeakPolarHBondContact ND1-CB 3.35Å; H319-S326 PolarHBondContact ND1-N 2.79Å; H319-S326 VanDerWaalsContact ND1-N 3.11Å; H319-S326 PolarHBondContact ND1-OG 3.04Å | ||
| 320 | H | 97.2 | Very high | 96.3 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 13% | 0.125 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -59.5 | -48.7 | 174.6 | 178.6 | 75.1 | 0 | 0 | 0 | 110.9 | M117 R144 D324 | M117-H320 WeakPolarHBondContact CE-O 3.25Å; R144-H320 PolarHBondContact NH1-O 3.45Å; R144-H320 PolarHBondContact NH2-ND1 3.05Å; R144-H320 PolarHBondContact NH2-O 2.86Å; H320-D324 HydrophobicContact CB-CB 3.75Å; H320-D324 VanDerWaalsContact CB-OD2 3.29Å; H320-D324 WeakPolarHBondContact CB-OD2 3.45Å; H320-D324 PolarHBondContact N-OD2 3.2Å |
| 321 | S | 97.3 | Very high | 96 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -153.7 | -178.1 | 174.6 | 69.7 | 0 | 0 | 0 | 0 | 109.2 | F115 H319 S323 D324 | F115-S321 VanDerWaalsContact CE2-CB 3.45Å; H319-S321 VanDerWaalsContact C-N 3.35Å; S321-S323 PolarHBondContact O-N 3.06Å; S321-S323 VanDerWaalsContact O-N 3.16Å; S321-S323 PolarHBondContact OG-N 3.1Å; S321-D324 PolarHBondContact O-N 3.35Å; S321-D324 VanDerWaalsContact O-N 3.11Å |
| 322 | T | 96.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.2 | 168.2 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | Y105 Q108 R109 Y116 | Y105-T322 HydrophobicContact CD2-CG2 3.61Å; Y105-T322 HydrophobicContact CE2-CG2 3.6Å; Y105-T322 HydrophobicContact CG-CG2 4.49Å; Q108-T322 HydrophobicContact CB-CG2 3.91Å; Q108-T322 HydrophobicContact CG-CG2 3.69Å; R109-T322 VanDerWaalsContact CZ-O 3.28Å; R109-T322 PolarHBondContact NH1-O 2.88Å; R109-T322 PolarHBondContact NH2-O 3.04Å; Y116-T322 PolarHBondContact N-OG1 3.49Å; Y116-T322 VanDerWaalsContact N-OG1 3.08Å; Y116-T322 WeakPolarHBondContact O-CG2 3.5Å; Y116-T322 PolarHBondContact O-N 3.01Å; Y116-T322 PolarHBondContact O-OG1 2.86Å |
| 323 | S | 95.8 | Very high | 95.4 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 70% | 0.699 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 4.1 | 177.1 | -51.8 | 0 | 0 | 0 | 0 | 113.4 | S321 | S321-S323 PolarHBondContact O-N 3.06Å; S321-S323 VanDerWaalsContact O-N 3.16Å; S321-S323 PolarHBondContact OG-N 3.1Å |
| 324 | D | 96.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | trans | -118 | 143.7 | -176.4 | 174.2 | 56 | 0 | 0 | 0 | 111.2 | R316 H319 H320 S321 Y329 | R316-D324 IonicContact NH2-OD2 2.69Å; H319-D324 HydrophobicContact CB-CB 4.4Å; H320-D324 HydrophobicContact CB-CB 3.75Å; H320-D324 VanDerWaalsContact CB-OD2 3.29Å; H320-D324 WeakPolarHBondContact CB-OD2 3.45Å; H320-D324 PolarHBondContact N-OD2 3.2Å; S321-D324 PolarHBondContact O-N 3.35Å; S321-D324 VanDerWaalsContact O-N 3.11Å; D324-Y329 VanDerWaalsContact CG-OH 3.31Å; D324-Y329 VanDerWaalsContact OD1-CE1 3.29Å; D324-Y329 WeakPolarHBondContact OD1-CE1 3.14Å; D324-Y329 PolarHBondContact OD1-OH 3.41Å; D324-Y329 PolarHBondContact OD2-OH 2.79Å | ||
| 325 | D | 95.5 | Very high | 94.9 | Very high | 86 Ų | 86 | 52 Ų | 52 | 46% | 0.46 | 29% | 0.294 | S | S | . | . | trans | -119.6 | 100.3 | 166.4 | -178.3 | -4 | 0 | 0 | 0 | 109 | H319 T327 A328 | H319-D325 IonicContact CE1-OD1 3.49Å; D325-T327 VanDerWaalsContact CG-OG1 3.27Å; D325-T327 PolarHBondContact O-N 2.97Å; D325-T327 WeakPolarHBondContact OD1-CB 2.95Å; D325-T327 WeakPolarHBondContact OD1-CG2 3.44Å; D325-T327 PolarHBondContact OD1-N 3.26Å; D325-T327 PolarHBondContact OD1-OG1 2.74Å; D325-T327 PolarHBondContact OD2-OG1 3.26Å; D325-A328 WeakPolarHBondContact O-CB 3.2Å; D325-A328 PolarHBondContact O-N 3.01Å | ||
| 326 | S | 95.4 | Very high | 94.7 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -71.5 | -10.1 | -176.7 | 75.4 | 0 | 0 | 0 | 0 | 115.4 | H319 A328 Y329 R330 | H319-S326 WeakPolarHBondContact ND1-CB 3.35Å; H319-S326 PolarHBondContact ND1-N 2.79Å; H319-S326 VanDerWaalsContact ND1-N 3.11Å; H319-S326 PolarHBondContact ND1-OG 3.04Å; S326-A328 PolarHBondContact O-N 3.32Å; S326-Y329 VanDerWaalsContact CA-CE1 3.49Å; S326-Y329 VanDerWaalsContact CA-CZ 3.47Å; S326-Y329 WeakPolarHBondContact CA-OH 3.44Å; S326-Y329 WeakPolarHBondContact CB-OH 3.41Å; S326-Y329 PolarHBondContact O-N 3.04Å; S326-R330 PolarHBondContact O-N 3.04Å; S326-R330 VanDerWaalsContact O-N 3.09Å; S326-R330 PolarHBondContact OG-NH2 2.85Å |
| 327 | T | 93.8 | Very high | 94.5 | Very high | 92 Ų | 92 | 58.7 Ų | 58.7 | 56% | 0.564 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -69.7 | -16.8 | 175.4 | 68.6 | 0 | 0 | 0 | 0 | 111.9 | D325 Y329 | D325-T327 VanDerWaalsContact CG-OG1 3.27Å; D325-T327 PolarHBondContact O-N 2.97Å; D325-T327 WeakPolarHBondContact OD1-CB 2.95Å; D325-T327 WeakPolarHBondContact OD1-CG2 3.44Å; D325-T327 PolarHBondContact OD1-N 3.26Å; D325-T327 PolarHBondContact OD1-OG1 2.74Å; D325-T327 PolarHBondContact OD2-OG1 3.26Å; T327-Y329 VanDerWaalsContact C-N 3.34Å; T327-Y329 PolarHBondContact O-N 3.48Å |
| 328 | A | 96 | Very high | 94.4 | Very high | 87 Ų | 87 | 61 Ų | 61 | 72% | 0.719 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -72.3 | -21.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D325 S326 | D325-A328 WeakPolarHBondContact O-CB 3.2Å; D325-A328 PolarHBondContact O-N 3.01Å; S326-A328 PolarHBondContact O-N 3.32Å |
| 329 | Y | 95.9 | Very high | 94.2 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139 | -1.7 | -173.8 | 58.6 | -95.9 | 0 | 0 | 0 | 114.8 | Y254 I256 R316 D324 S326 T327 | Y254-Y329 HydrophobicContact CD1-CD2 4.27Å; Y254-Y329 HydrophobicContact CD1-CE2 4.19Å; Y254-Y329 HydrophobicContact CE1-CD2 4.21Å; Y254-Y329 HydrophobicContact CE1-CE2 4.49Å; I256-Y329 VanDerWaalsContact O-CE2 3.26Å; I256-Y329 WeakPolarHBondContact O-CE2 3.21Å; I256-Y329 VanDerWaalsContact O-CZ 3.22Å; I256-Y329 PolarHBondContact O-OH 2.85Å; R316-Y329 PolarHBondContact NH2-OH 3.3Å; D324-Y329 VanDerWaalsContact CG-OH 3.31Å; D324-Y329 VanDerWaalsContact OD1-CE1 3.29Å; D324-Y329 WeakPolarHBondContact OD1-CE1 3.14Å; D324-Y329 PolarHBondContact OD1-OH 3.41Å; D324-Y329 PolarHBondContact OD2-OH 2.79Å; S326-Y329 VanDerWaalsContact CA-CE1 3.49Å; S326-Y329 VanDerWaalsContact CA-CZ 3.47Å; S326-Y329 WeakPolarHBondContact CA-OH 3.44Å; S326-Y329 WeakPolarHBondContact CB-OH 3.41Å; S326-Y329 PolarHBondContact O-N 3.04Å; T327-Y329 VanDerWaalsContact C-N 3.34Å; T327-Y329 PolarHBondContact O-N 3.48Å |
| 330 | R | 93.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 68.1 Ų | 68.1 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -122.7 | 143.4 | 174.4 | -55.6 | -170.4 | -66.6 | -175.6 | -1.1 | 111.4 | Y254 R316 G318 S326 | Y254-R330 HydrophobicContact CD1-CG 4.38Å; Y254-R330 HydrophobicContact CE1-CG 3.81Å; Y254-R330 VanDerWaalsContact CE2-CD 3.47Å; Y254-R330 HydrophobicContact CE2-CG 4.04Å; R316-R330 PolarHBondContact O-NH1 2.65Å; G318-R330 PolarHBondContact O-NH2 3.35Å; S326-R330 PolarHBondContact O-N 3.04Å; S326-R330 VanDerWaalsContact O-N 3.09Å; S326-R330 PolarHBondContact OG-NH2 2.85Å |
| 331 | L | 92.7 | Very high | 93 | Very high | 124 Ų | 124 | 71.5 Ų | 71.5 | 65% | 0.649 | 39% | 0.393 | S | S | * | . | trans | -75.2 | 131.1 | 178.6 | -64.2 | 175.9 | 0 | 0 | 0 | 110.2 | K333 E334 V335 | L331-K333 PolarHBondContact O-N 3.03Å; L331-K333 VanDerWaalsContact O-N 3.11Å; L331-E334 HydrophobicContact CB-CB 4.39Å; L331-E334 WeakPolarHBondContact O-CB 3.34Å; L331-E334 PolarHBondContact O-N 3.16Å; L331-V335 PolarHBondContact O-N 3.34Å | ||
| 332 | P | 91.4 | Very high | 92.3 | Very high | 99 Ų | 99 | 73 Ų | 73 | 64% | 0.643 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -55.6 | -32.2 | 177.1 | -29.1 | 35.6 | 0 | 0 | 0 | 114.1 | E334 V335 A336 | P332-E334 VanDerWaalsContact C-N 3.34Å; P332-E334 PolarHBondContact O-N 2.65Å; P332-V335 PolarHBondContact O-N 3.36Å; P332-A336 WeakPolarHBondContact O-CB 3.19Å; P332-A336 PolarHBondContact O-N 3.27Å |
| 333 | K | 93.5 | Very high | 92.1 | Very high | 183 Ų | 183 | 73.7 Ų | 73.7 | 80% | 0.796 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | 176.4 | -70.6 | -175.6 | 178 | 179.7 | 0 | 112.7 | L331 F337 | L331-K333 PolarHBondContact O-N 3.03Å; L331-K333 VanDerWaalsContact O-N 3.11Å; K333-F337 WeakPolarHBondContact O-CB 3.42Å; K333-F337 PolarHBondContact O-N 3.2Å |
| 334 | E | 93.1 | Very high | 92.1 | Very high | 56 Ų | 56 | 69 Ų | 69 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.8 | -48.4 | 178 | -177.5 | -172.9 | 166 | 0 | 0 | 110.5 | Y254 Y315 L331 P332 A336 F337 W338 | Y254-E334 PolarHBondContact OH-OE1 3.11Å; Y254-E334 PolarHBondContact OH-OE2 3.11Å; Y315-E334 HydrophobicContact CE2-CG 4.17Å; Y315-E334 VanDerWaalsContact CE2-OE1 3.27Å; Y315-E334 WeakPolarHBondContact CE2-OE1 3.3Å; Y315-E334 PolarHBondContact OH-OE1 2.87Å; L331-E334 HydrophobicContact CB-CB 4.39Å; L331-E334 WeakPolarHBondContact O-CB 3.34Å; L331-E334 PolarHBondContact O-N 3.16Å; P332-E334 VanDerWaalsContact C-N 3.34Å; P332-E334 PolarHBondContact O-N 2.65Å; E334-A336 VanDerWaalsContact C-N 3.31Å; E334-A336 PolarHBondContact O-N 2.94Å; E334-F337 WeakPolarHBondContact O-CB 3.21Å; E334-F337 PolarHBondContact O-N 2.66Å; E334-W338 VanDerWaalsContact O-CD1 3.27Å; E334-W338 PolarHBondContact O-N 3.25Å; E334-W338 VanDerWaalsContact O-N 3.16Å |
| 335 | V | 92.6 | Very high | 92 | Very high | 37 Ų | 37 | 68 Ų | 68 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 177 | -178.9 | 0 | 0 | 0 | 0 | 111 | Y315 L331 P332 W338 S339 | Y315-V335 HydrophobicContact CE1-CG2 4.34Å; Y315-V335 WeakPolarHBondContact OH-CG2 3.32Å; L331-V335 PolarHBondContact O-N 3.34Å; P332-V335 PolarHBondContact O-N 3.36Å; V335-W338 PolarHBondContact O-N 3.24Å; V335-S339 VanDerWaalsContact O-CB 3.3Å; V335-S339 WeakPolarHBondContact O-CB 3.43Å; V335-S339 PolarHBondContact O-N 3.13Å |
| 336 | A | 92.1 | Very high | 92 | Very high | 38 Ų | 38 | 66 Ų | 66 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P332 E334 W338 S339 Q340 | P332-A336 WeakPolarHBondContact O-CB 3.19Å; P332-A336 PolarHBondContact O-N 3.27Å; E334-A336 VanDerWaalsContact C-N 3.31Å; E334-A336 PolarHBondContact O-N 2.94Å; A336-W338 PolarHBondContact O-N 2.72Å; A336-S339 PolarHBondContact O-N 3.33Å; A336-Q340 WeakPolarHBondContact O-CB 3.46Å; A336-Q340 VanDerWaalsContact O-CG 3.31Å; A336-Q340 WeakPolarHBondContact O-CG 3.05Å; A336-Q340 PolarHBondContact O-N 3.4Å |
| 337 | F | 92 | Very high | 92 | Very high | 107 Ų | 107 | 66 Ų | 66 | 47% | 0.469 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57 | -49.7 | 176.1 | 172.4 | -91.8 | 0 | 0 | 0 | 111.6 | K333 E334 L341 | K333-F337 WeakPolarHBondContact O-CB 3.42Å; K333-F337 PolarHBondContact O-N 3.2Å; E334-F337 WeakPolarHBondContact O-CB 3.21Å; E334-F337 PolarHBondContact O-N 2.66Å; F337-L341 HydrophobicContact CD2-CD1 3.56Å; F337-L341 HydrophobicContact CE2-CD1 3.46Å; F337-L341 VanDerWaalsContact CE2-CD1 3.46Å; F337-L341 HydrophobicContact CG-CD1 4.39Å; F337-L341 HydrophobicContact CZ-CD1 4.24Å; F337-L341 WeakPolarHBondContact O-CB 3.38Å; F337-L341 PolarHBondContact O-N 3.01Å |
| 338 | W | 92.1 | Very high | 92 | Very high | 68 Ų | 68 | 61.6 Ų | 61.6 | 26% | 0.258 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 178.8 | -75.6 | 103.6 | 0 | 0 | 0 | 112.7 | Y315 L317 E334 V335 A336 Q340 N342 S343 | Y315-W338 HydrophobicContact CD1-CB 3.48Å; Y315-W338 VanDerWaalsContact CD1-CB 3.48Å; Y315-W338 AromaticContact CD1-CD1 3.68Å; Y315-W338 HydrophobicContact CD1-CD2 4.22Å; Y315-W338 AromaticContact CD1-CG 3.52Å; Y315-W338 HydrophobicContact CD1-CG 3.52Å; Y315-W338 AromaticContact CD2-CD1 3.34Å; Y315-W338 AromaticContact CD2-CD2 3.93Å; Y315-W338 HydrophobicContact CD2-CD2 3.93Å; Y315-W338 AromaticContact CD2-CE2 3.66Å; Y315-W338 AromaticContact CD2-CG 3.76Å; Y315-W338 HydrophobicContact CD2-CG 3.76Å; Y315-W338 HydrophobicContact CD2-CZ2 4.38Å; Y315-W338 AromaticContact CD2-NE1 3.28Å; Y315-W338 VanDerWaalsContact CD2-NE1 3.28Å; Y315-W338 HydrophobicContact CE1-CB 3.99Å; Y315-W338 AromaticContact CE1-CD1 3.81Å; Y315-W338 HydrophobicContact CE1-CG 4.05Å; Y315-W338 AromaticContact CE2-CD1 3.5Å; Y315-W338 VanDerWaalsContact CE2-CD1 3.5Å; Y315-W338 HydrophobicContact CE2-CG 4.26Å; Y315-W338 AromaticContact CE2-NE1 3.61Å; Y315-W338 HydrophobicContact CG-CB 3.82Å; Y315-W338 AromaticContact CG-CD1 3.42Å; Y315-W338 VanDerWaalsContact CG-CD1 3.42Å; Y315-W338 AromaticContact CG-CD2 3.58Å; Y315-W338 HydrophobicContact CG-CD2 3.58Å; Y315-W338 AromaticContact CG-CE2 3.84Å; Y315-W338 HydrophobicContact CG-CE3 4.25Å; Y315-W338 AromaticContact CG-CG 3.33Å; Y315-W338 HydrophobicContact CG-CG 3.33Å; Y315-W338 AromaticContact CG-NE1 3.72Å; Y315-W338 AromaticContact CZ-CD1 3.72Å; L317-W338 HydrophobicContact CD2-CB 3.76Å; E334-W338 VanDerWaalsContact O-CD1 3.27Å; E334-W338 PolarHBondContact O-N 3.25Å; E334-W338 VanDerWaalsContact O-N 3.16Å; V335-W338 PolarHBondContact O-N 3.24Å; A336-W338 PolarHBondContact O-N 2.72Å; W338-Q340 PolarHBondContact O-N 3.04Å; W338-N342 HydrophobicContact CE3-CB 3.61Å; W338-N342 HydrophobicContact CZ3-CB 3.99Å; W338-N342 CarbonylContact O-C 3.45Å; W338-N342 WeakPolarHBondContact O-CA 3.44Å; W338-N342 PolarHBondContact O-N 3.42Å; W338-S343 PolarHBondContact O-N 3.38Å |
| 339 | S | 88.9 | Confident | 92.1 | Very high | 60 Ų | 60 | 60.2 Ų | 60.2 | 42% | 0.42 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | -179.4 | -172.8 | 0 | 0 | 0 | 0 | 112.2 | V335 A336 | V335-S339 VanDerWaalsContact O-CB 3.3Å; V335-S339 WeakPolarHBondContact O-CB 3.43Å; V335-S339 PolarHBondContact O-N 3.13Å; A336-S339 PolarHBondContact O-N 3.33Å |
| 340 | Q | 86.3 | Confident | 92 | Very high | 155 Ų | 155 | 59.3 Ų | 59.3 | 72% | 0.724 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -82.4 | -41.1 | -175.2 | -68.6 | 177.5 | -3.7 | 0 | 0 | 113.4 | A336 W338 | A336-Q340 WeakPolarHBondContact O-CB 3.46Å; A336-Q340 VanDerWaalsContact O-CG 3.31Å; A336-Q340 WeakPolarHBondContact O-CG 3.05Å; A336-Q340 PolarHBondContact O-N 3.4Å; W338-Q340 PolarHBondContact O-N 3.04Å |
| 341 | L | 81.3 | Confident | 92.1 | Very high | 97 Ų | 97 | 59.4 Ų | 59.4 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -101.5 | -22.6 | -168.5 | -62.7 | 174.4 | 0 | 0 | 0 | 114 | F337 | F337-L341 HydrophobicContact CD2-CD1 3.56Å; F337-L341 HydrophobicContact CE2-CD1 3.46Å; F337-L341 VanDerWaalsContact CE2-CD1 3.46Å; F337-L341 HydrophobicContact CG-CD1 4.39Å; F337-L341 HydrophobicContact CZ-CD1 4.24Å; F337-L341 WeakPolarHBondContact O-CB 3.38Å; F337-L341 PolarHBondContact O-N 3.01Å |
| 342 | N | 83.5 | Confident | 92.2 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | trans | -133.1 | 19.2 | -166.9 | -66.1 | -66.9 | 0 | 0 | 0 | 113.6 | N286 W338 | N286-N342 WeakPolarHBondContact CB-O 3.5Å; N286-N342 PolarHBondContact ND2-O 3.19Å; N286-N342 VanDerWaalsContact ND2-O 3.11Å; W338-N342 HydrophobicContact CE3-CB 3.61Å; W338-N342 HydrophobicContact CZ3-CB 3.99Å; W338-N342 CarbonylContact O-C 3.45Å; W338-N342 WeakPolarHBondContact O-CA 3.44Å; W338-N342 PolarHBondContact O-N 3.42Å | ||
| 343 | S | 91.2 | Very high | 92.4 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | trans | -64 | 125.4 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | W338 L345 S346 R347 | W338-S343 PolarHBondContact O-N 3.38Å; S343-L345 VanDerWaalsContact C-N 3.29Å; S343-L345 PolarHBondContact O-N 2.73Å; S343-S346 PolarHBondContact O-N 2.96Å; S343-S346 PolarHBondContact OG-N 2.91Å; S343-R347 WeakPolarHBondContact O-CB 3.31Å; S343-R347 PolarHBondContact O-N 3.46Å | ||
| 344 | P | 95.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 178.3 | 22.8 | -33.3 | 0 | 0 | 0 | 112.3 | M94 E123 A124 N286 R347 L348 | M94-P344 HydrophobicContact CE-CB 3.69Å; M94-P344 HydrophobicContact CE-CG 4.15Å; E123-P344 WeakPolarHBondContact OE2-CG 3.38Å; A124-P344 HydrophobicContact CB-CB 3.49Å; A124-P344 VanDerWaalsContact CB-CB 3.49Å; A124-P344 HydrophobicContact CB-CG 4.45Å; N286-P344 HydrophobicContact CB-CB 4.21Å; P344-R347 PolarHBondContact O-N 2.93Å; P344-L348 PolarHBondContact O-N 3Å; P344-L348 VanDerWaalsContact O-N 3.07Å |
| 345 | L | 95.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -47.2 | 179.4 | -176.7 | 69.8 | 0 | 0 | 0 | 111.1 | F91 M94 I95 S343 R347 L348 R349 | F91-L345 HydrophobicContact CD2-CD1 3.68Å; F91-L345 HydrophobicContact CE2-CD1 3.38Å; F91-L345 HydrophobicContact CE2-CG 4.07Å; F91-L345 HydrophobicContact CZ-CD1 4.27Å; M94-L345 HydrophobicContact CB-CD1 3.69Å; M94-L345 HydrophobicContact CE-CB 4.04Å; M94-L345 HydrophobicContact CE-CD1 4.35Å; I95-L345 HydrophobicContact CG1-CD1 3.85Å; S343-L345 VanDerWaalsContact C-N 3.29Å; S343-L345 PolarHBondContact O-N 2.73Å; L345-R347 PolarHBondContact O-N 2.74Å; L345-L348 PolarHBondContact O-N 3.41Å; L345-R349 VanDerWaalsContact O-CB 3.3Å; L345-R349 WeakPolarHBondContact O-CB 3.45Å; L345-R349 PolarHBondContact O-N 2.84Å |
| 346 | S | 94.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.8 | -32 | 178 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | S343 R349 S350 | S343-S346 PolarHBondContact O-N 2.96Å; S343-S346 PolarHBondContact OG-N 2.91Å; S346-R349 VanDerWaalsContact CA-NH1 3.29Å; S346-R349 PolarHBondContact OG-NH1 2.97Å; S346-S350 WeakPolarHBondContact O-CB 3.36Å; S346-S350 PolarHBondContact O-N 3.47Å; S346-S350 PolarHBondContact O-OG 3.44Å |
| 347 | R | 95.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 2% | 0.023 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.3 | -47 | 178.2 | -153 | 171.8 | 70.1 | 136 | 50.2 | 112.2 | M67 N68 D284 N286 D287 S343 P344 L345 S350 F351 | M67-R347 HydrophobicContact CE-CB 4.38Å; M67-R347 HydrophobicContact CE-CG 3.89Å; M67-R347 PolarHBondContact O-NH1 3.09Å; M67-R347 PolarHBondContact O-NH2 3.25Å; N68-R347 WeakPolarHBondContact O-CD 3.37Å; N68-R347 WeakPolarHBondContact O-CG 3.5Å; D284-R347 IonicContact OD1-NH1 3.07Å; D284-R347 IonicContact OD2-CZ 2.91Å; D284-R347 IonicContact OD2-NH1 3.65Å; D284-R347 PolarHBondContact OD2-NH1 3.42Å; N286-R347 PolarHBondContact O-NE 2.88Å; D287-R347 VanDerWaalsContact CB-CZ 3.47Å; D287-R347 VanDerWaalsContact N-NH1 3.19Å; D287-R347 IonicContact OD1-NH2 2.76Å; D287-R347 PolarHBondContact OD1-NH2 3.42Å; D287-R347 IonicContact OD2-NH2 3.45Å; D287-R347 PolarHBondContact OD2-NH2 2.94Å; D287-R347 VanDerWaalsContact OD2-NH2 3.07Å; S343-R347 WeakPolarHBondContact O-CB 3.31Å; S343-R347 PolarHBondContact O-N 3.46Å; P344-R347 PolarHBondContact O-N 2.93Å; L345-R347 PolarHBondContact O-N 2.74Å; R347-S350 PolarHBondContact O-N 3.13Å; R347-F351 PolarHBondContact O-N 3.24Å |
| 348 | L | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 174.7 | -176.3 | 58.1 | 0 | 0 | 0 | 111.8 | M90 F91 M94 I288 F289 P344 L345 S350 F351 L352 | M90-L348 HydrophobicContact CB-CD2 4.24Å; F91-L348 HydrophobicContact CB-CD2 3.63Å; F91-L348 HydrophobicContact CB-CG 4.14Å; F91-L348 HydrophobicContact CD2-CB 4.17Å; F91-L348 HydrophobicContact CD2-CD2 3.91Å; F91-L348 HydrophobicContact CD2-CG 3.9Å; F91-L348 HydrophobicContact CG-CD2 4.25Å; F91-L348 HydrophobicContact CG-CG 4.39Å; M94-L348 HydrophobicContact SD-CD2 3.81Å; I288-L348 HydrophobicContact CD1-CD2 4.21Å; I288-L348 HydrophobicContact CG2-CD1 4.07Å; I288-L348 HydrophobicContact CG2-CD2 4.16Å; I288-L348 HydrophobicContact CG2-CG 4.49Å; F289-L348 HydrophobicContact CE1-CD1 4.39Å; F289-L348 HydrophobicContact CE2-CD1 4.2Å; F289-L348 HydrophobicContact CZ-CD1 3.71Å; P344-L348 PolarHBondContact O-N 3Å; P344-L348 VanDerWaalsContact O-N 3.07Å; L345-L348 PolarHBondContact O-N 3.41Å; L348-S350 VanDerWaalsContact C-N 3.32Å; L348-S350 PolarHBondContact O-N 2.79Å; L348-F351 HydrophobicContact CD1-CD1 4.1Å; L348-F351 WeakPolarHBondContact O-CB 3.36Å; L348-F351 PolarHBondContact O-N 3.49Å; L348-L352 HydrophobicContact CD1-CG 4.31Å; L348-L352 HydrophobicContact CG-CD1 4.2Å; L348-L352 HydrophobicContact CG-CG 4.42Å; L348-L352 WeakPolarHBondContact O-CG 3.47Å; L348-L352 PolarHBondContact O-N 3.32Å |
| 349 | R | 96.3 | Very high | 93 | Very high | 58 Ų | 58 | 53 Ų | 53 | 22% | 0.219 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54 | -49.8 | 172 | -177.4 | -172.2 | -62.6 | 112.2 | 6 | 111.1 | F91 L345 S346 F351 L352 L353 E363 | F91-R349 HydrophobicContact CE2-CB 3.68Å; F91-R349 HydrophobicContact CE2-CG 4.44Å; F91-R349 HydrophobicContact CZ-CB 3.72Å; F91-R349 HydrophobicContact CZ-CG 3.98Å; L345-R349 VanDerWaalsContact O-CB 3.3Å; L345-R349 WeakPolarHBondContact O-CB 3.45Å; L345-R349 PolarHBondContact O-N 2.84Å; S346-R349 VanDerWaalsContact CA-NH1 3.29Å; S346-R349 PolarHBondContact OG-NH1 2.97Å; R349-F351 VanDerWaalsContact C-N 3.3Å; R349-F351 PolarHBondContact O-N 3.01Å; R349-L352 PolarHBondContact O-N 3.02Å; R349-L353 HydrophobicContact CG-CD1 3.88Å; R349-L353 HydrophobicContact CG-CG 4.32Å; R349-L353 WeakPolarHBondContact O-CB 3.4Å; R349-L353 WeakPolarHBondContact O-CG 3.42Å; R349-L353 PolarHBondContact O-N 3.29Å; R349-E363 WeakPolarHBondContact CD-OE2 3.41Å; R349-E363 WeakPolarHBondContact CG-OE2 3.29Å; R349-E363 IonicContact CZ-OE1 2.66Å; R349-E363 IonicContact CZ-OE2 2.96Å; R349-E363 IonicContact NE-OE1 2.68Å; R349-E363 PolarHBondContact NE-OE1 3.16Å; R349-E363 IonicContact NE-OE2 3.67Å; R349-E363 PolarHBondContact NE-OE2 2.82Å; R349-E363 IonicContact NH2-OE1 3.75Å; R349-E363 PolarHBondContact NH2-OE1 3.42Å |
| 350 | S | 95.1 | Very high | 93.3 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | -178.5 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | S70 S346 R347 L348 K354 | S70-S350 WeakPolarHBondContact O-CB 3.42Å; S346-S350 WeakPolarHBondContact O-CB 3.36Å; S346-S350 PolarHBondContact O-N 3.47Å; S346-S350 PolarHBondContact O-OG 3.44Å; R347-S350 PolarHBondContact O-N 3.13Å; L348-S350 VanDerWaalsContact C-N 3.32Å; L348-S350 PolarHBondContact O-N 2.79Å; S350-K354 WeakPolarHBondContact O-CB 3.44Å; S350-K354 WeakPolarHBondContact O-CD 3.49Å; S350-K354 WeakPolarHBondContact O-CG 3.48Å; S350-K354 PolarHBondContact O-N 3.2Å |
| 351 | F | 94.7 | Very high | 93.8 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -52.1 | 171.9 | 171.1 | -97.8 | 0 | 0 | 0 | 112 | M67 L73 I82 A87 F289 R347 L348 R349 L353 K354 E355 L357 | M67-F351 HydrophobicContact SD-CB 3.6Å; M67-F351 VanDerWaalsContact SD-CB 3.6Å; M67-F351 HydrophobicContact SD-CD2 4.13Å; M67-F351 HydrophobicContact SD-CG 4.02Å; L73-F351 HydrophobicContact CD1-CE2 4.03Å; L73-F351 HydrophobicContact CD2-CD2 4.36Å; L73-F351 HydrophobicContact CD2-CE2 4.05Å; L73-F351 HydrophobicContact CG-CD2 4.46Å; L73-F351 HydrophobicContact CG-CE2 4.01Å; I82-F351 HydrophobicContact CD1-CE2 4.46Å; I82-F351 HydrophobicContact CD1-CZ 4.15Å; I82-F351 HydrophobicContact CG2-CE1 4.24Å; I82-F351 HydrophobicContact CG2-CZ 4.17Å; A87-F351 HydrophobicContact CB-CE1 4.32Å; F289-F351 AromaticContact CE2-CD1 3.74Å; F289-F351 HydrophobicContact CE2-CD1 3.74Å; F289-F351 HydrophobicContact CE2-CD2 4.15Å; F289-F351 AromaticContact CE2-CE1 3.76Å; F289-F351 HydrophobicContact CE2-CE1 3.76Å; F289-F351 HydrophobicContact CE2-CE2 4.16Å; F289-F351 AromaticContact CE2-CG 3.94Å; F289-F351 HydrophobicContact CE2-CG 3.94Å; F289-F351 AromaticContact CE2-CZ 3.97Å; F289-F351 HydrophobicContact CE2-CZ 3.97Å; F289-F351 AromaticContact CZ-CD1 3.71Å; F289-F351 HydrophobicContact CZ-CD1 3.71Å; F289-F351 AromaticContact CZ-CE1 3.51Å; F289-F351 HydrophobicContact CZ-CE1 3.51Å; F289-F351 HydrophobicContact CZ-CG 4.38Å; F289-F351 HydrophobicContact CZ-CZ 4.04Å; R347-F351 PolarHBondContact O-N 3.24Å; L348-F351 HydrophobicContact CD1-CD1 4.1Å; L348-F351 WeakPolarHBondContact O-CB 3.36Å; L348-F351 PolarHBondContact O-N 3.49Å; R349-F351 VanDerWaalsContact C-N 3.3Å; R349-F351 PolarHBondContact O-N 3.01Å; F351-L353 PolarHBondContact O-N 2.95Å; F351-K354 PolarHBondContact O-N 3.45Å; F351-E355 HydrophobicContact CD2-CG 4.13Å; F351-E355 HydrophobicContact CE1-CG 4.3Å; F351-E355 HydrophobicContact CE2-CG 3.71Å; F351-E355 HydrophobicContact CZ-CG 3.82Å; F351-E355 WeakPolarHBondContact O-CG 3.32Å; F351-E355 PolarHBondContact O-N 2.85Å; F351-L357 HydrophobicContact CE1-CD1 4.42Å |
| 352 | L | 96.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -39.1 | -177.2 | -68.3 | 176 | 0 | 0 | 0 | 113.2 | A87 I88 F91 L348 R349 K356 L357 F358 | A87-L352 HydrophobicContact CB-CD2 3.92Å; I88-L352 HydrophobicContact CG1-CD2 4.26Å; F91-L352 HydrophobicContact CB-CD1 3.45Å; F91-L352 VanDerWaalsContact CB-CD1 3.45Å; F91-L352 HydrophobicContact CD1-CD1 3.49Å; F91-L352 VanDerWaalsContact CD1-CD1 3.49Å; F91-L352 HydrophobicContact CD2-CD1 4.03Å; F91-L352 HydrophobicContact CE1-CD1 4.19Å; F91-L352 HydrophobicContact CG-CD1 3.39Å; L348-L352 HydrophobicContact CD1-CG 4.31Å; L348-L352 HydrophobicContact CG-CD1 4.2Å; L348-L352 HydrophobicContact CG-CG 4.42Å; L348-L352 WeakPolarHBondContact O-CG 3.47Å; L348-L352 PolarHBondContact O-N 3.32Å; R349-L352 PolarHBondContact O-N 3.02Å; L352-K356 PolarHBondContact O-N 3.05Å; L352-L357 HydrophobicContact CD2-CB 3.84Å; L352-L357 HydrophobicContact CD2-CD1 3.93Å; L352-L357 PolarHBondContact O-N 3.31Å; L352-F358 HydrophobicContact CB-CB 3.89Å; L352-F358 HydrophobicContact CD1-CB 4.26Å |
| 353 | L | 95.7 | Very high | 95.3 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 36% | 0.356 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.4 | -72.2 | 173.2 | 0 | 0 | 0 | 111.6 | R349 F351 K356 F358 | R349-L353 HydrophobicContact CG-CD1 3.88Å; R349-L353 HydrophobicContact CG-CG 4.32Å; R349-L353 WeakPolarHBondContact O-CB 3.4Å; R349-L353 WeakPolarHBondContact O-CG 3.42Å; R349-L353 PolarHBondContact O-N 3.29Å; F351-L353 PolarHBondContact O-N 2.95Å; L353-K356 PolarHBondContact O-N 2.8Å; L353-F358 WeakPolarHBondContact CD2-O 3.15Å |
| 354 | K | 93 | Very high | 95.5 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 179.4 | -76.1 | 171.1 | 179.8 | 175.6 | 0 | 112.6 | S70 Y72 S350 F351 K356 | S70-K354 PolarHBondContact O-NZ 2.99Å; Y72-K354 HydrophobicContact CD1-CD 4.21Å; Y72-K354 HydrophobicContact CE1-CD 3.82Å; Y72-K354 PolarHBondContact OH-NZ 3.29Å; S350-K354 WeakPolarHBondContact O-CB 3.44Å; S350-K354 WeakPolarHBondContact O-CD 3.49Å; S350-K354 WeakPolarHBondContact O-CG 3.48Å; S350-K354 PolarHBondContact O-N 3.2Å; F351-K354 PolarHBondContact O-N 3.45Å; K354-K356 PolarHBondContact O-N 3.22Å |
| 355 | E | 92.7 | Very high | 95.6 | Very high | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -0.5 | 175.9 | -61.7 | -57.1 | 134.9 | 0 | 0 | 112.5 | F351 L357 | F351-E355 HydrophobicContact CD2-CG 4.13Å; F351-E355 HydrophobicContact CE1-CG 4.3Å; F351-E355 HydrophobicContact CE2-CG 3.71Å; F351-E355 HydrophobicContact CZ-CG 3.82Å; F351-E355 WeakPolarHBondContact O-CG 3.32Å; F351-E355 PolarHBondContact O-N 2.85Å; E355-L357 HydrophobicContact CB-CD1 3.81Å; E355-L357 HydrophobicContact CB-CG 3.81Å; E355-L357 PolarHBondContact O-N 3.21Å |
| 356 | K | 94.7 | Very high | 95.8 | Very high | 187 Ų | 187 | 62 Ų | 62 | 81% | 0.813 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 32.6 | -178.4 | -54.4 | 177.8 | -178.7 | 177.8 | 0 | 113 | L352 L353 K354 | L352-K356 PolarHBondContact O-N 3.05Å; L353-K356 PolarHBondContact O-N 2.8Å; K354-K356 PolarHBondContact O-N 3.22Å |
| 357 | L | 95.1 | Very high | 95.9 | Very high | 63 Ų | 63 | 61.4 Ų | 61.4 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -89.1 | -14.9 | 179.4 | -67.5 | 175.8 | 0 | 0 | 0 | 112.6 | I88 F351 L352 E355 | I88-L357 HydrophobicContact CD1-CB 4.28Å; I88-L357 VanDerWaalsContact CD1-O 3.29Å; I88-L357 WeakPolarHBondContact CD1-O 3.3Å; I88-L357 HydrophobicContact CG1-CB 4.38Å; F351-L357 HydrophobicContact CE1-CD1 4.42Å; L352-L357 HydrophobicContact CD2-CB 3.84Å; L352-L357 HydrophobicContact CD2-CD1 3.93Å; L352-L357 PolarHBondContact O-N 3.31Å; E355-L357 HydrophobicContact CB-CD1 3.81Å; E355-L357 HydrophobicContact CB-CG 3.81Å; E355-L357 PolarHBondContact O-N 3.21Å |
| 358 | F | 95.5 | Very high | 96.1 | Very high | 15 Ų | 15 | 67.2 Ų | 67.2 | 7% | 0.066 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -155.3 | 152.6 | -178.9 | -149.7 | -111.3 | 0 | 0 | 0 | 109.9 | I88 F91 L352 L353 E362 E363 L366 | I88-F358 HydrophobicContact CG2-CD2 4.32Å; I88-F358 HydrophobicContact CG2-CE2 4.36Å; F91-F358 AromaticContact CD1-CD1 3.87Å; F91-F358 HydrophobicContact CD1-CD1 3.87Å; F91-F358 AromaticContact CD1-CE1 3.88Å; F91-F358 HydrophobicContact CD1-CE1 3.88Å; F91-F358 HydrophobicContact CD1-CG 4.38Å; F91-F358 HydrophobicContact CD1-CZ 4.45Å; F91-F358 AromaticContact CE1-CD1 3.5Å; F91-F358 HydrophobicContact CE1-CD1 3.5Å; F91-F358 AromaticContact CE1-CE1 3.55Å; F91-F358 HydrophobicContact CE1-CE1 3.55Å; F91-F358 HydrophobicContact CE1-CG 4.38Å; F91-F358 HydrophobicContact CE1-CZ 4.5Å; L352-F358 HydrophobicContact CB-CB 3.89Å; L352-F358 HydrophobicContact CD1-CB 4.26Å; L353-F358 WeakPolarHBondContact CD2-O 3.15Å; F358-E362 WeakPolarHBondContact CA-OE2 3.45Å; F358-E362 HydrophobicContact CD1-CB 4.36Å; F358-E362 HydrophobicContact CD2-CB 4.45Å; F358-E362 HydrophobicContact CE1-CB 3.99Å; F358-E362 HydrophobicContact CE2-CB 4.06Å; F358-E362 HydrophobicContact CZ-CB 3.82Å; F358-E363 HydrophobicContact CD1-CB 4.22Å; F358-E363 HydrophobicContact CE1-CB 3.71Å; F358-E363 HydrophobicContact CE1-CG 4.48Å; F358-L366 HydrophobicContact CZ-CD2 4.12Å |
| 359 | T | 96.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 70.8 Ų | 70.8 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | trans | -115.3 | 161.6 | 175.5 | 83 | 0 | 0 | 0 | 0 | 113.3 | E361 E362 E363 | T359-E361 VanDerWaalsContact C-N 3.26Å; T359-E361 WeakPolarHBondContact CB-OE2 3.36Å; T359-E361 PolarHBondContact O-N 3.17Å; T359-E361 PolarHBondContact OG1-N 2.94Å; T359-E361 PolarHBondContact OG1-OE2 3.35Å; T359-E362 PolarHBondContact N-OE2 3.46Å; T359-E362 PolarHBondContact O-N 3.4Å; T359-E362 WeakPolarHBondContact OG1-CG 3.3Å; T359-E362 PolarHBondContact OG1-N 3.28Å; T359-E362 VanDerWaalsContact OG1-N 3.13Å; T359-E363 PolarHBondContact O-N 3.28Å | ||
| 360 | S | 95.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 70.1 Ų | 70.1 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.8 | -32.5 | 175.2 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | S364 | S360-S364 WeakPolarHBondContact O-CB 3.44Å; S360-S364 PolarHBondContact O-N 3.4Å; S360-S364 PolarHBondContact O-OG 3.44Å |
| 361 | E | 97.1 | Very high | 96.5 | Very high | 142 Ų | 142 | 72.2 Ų | 72.2 | 66% | 0.664 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.2 | -43.5 | 175.5 | -61.5 | 74.4 | -159.9 | 0 | 0 | 111.4 | T359 E363 S364 K365 | T359-E361 VanDerWaalsContact C-N 3.26Å; T359-E361 WeakPolarHBondContact CB-OE2 3.36Å; T359-E361 PolarHBondContact O-N 3.17Å; T359-E361 PolarHBondContact OG1-N 2.94Å; T359-E361 PolarHBondContact OG1-OE2 3.35Å; E361-E363 VanDerWaalsContact C-N 3.32Å; E361-E363 PolarHBondContact O-N 2.75Å; E361-S364 PolarHBondContact O-N 2.93Å; E361-K365 WeakPolarHBondContact O-CB 2.98Å; E361-K365 PolarHBondContact O-N 3.37Å |
| 362 | E | 97.5 | Very high | 96.7 | Very high | 96 Ų | 96 | 74.7 Ų | 74.7 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 174.3 | -72 | 178.2 | 132.8 | 0 | 0 | 111.2 | F358 T359 L366 | F358-E362 WeakPolarHBondContact CA-OE2 3.45Å; F358-E362 HydrophobicContact CD1-CB 4.36Å; F358-E362 HydrophobicContact CD2-CB 4.45Å; F358-E362 HydrophobicContact CE1-CB 3.99Å; F358-E362 HydrophobicContact CE2-CB 4.06Å; F358-E362 HydrophobicContact CZ-CB 3.82Å; T359-E362 PolarHBondContact N-OE2 3.46Å; T359-E362 PolarHBondContact O-N 3.4Å; T359-E362 WeakPolarHBondContact OG1-CG 3.3Å; T359-E362 PolarHBondContact OG1-N 3.28Å; T359-E362 VanDerWaalsContact OG1-N 3.13Å; E362-L366 WeakPolarHBondContact O-CB 3.23Å; E362-L366 PolarHBondContact O-N 2.99Å |
| 363 | E | 97.3 | Very high | 96.8 | Very high | 27 Ų | 27 | 77 Ų | 77 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.1 | -50.9 | 175.6 | -175.7 | 176.6 | 176.7 | 0 | 0 | 112.4 | F91 I95 R349 F358 T359 E361 K365 L366 A367 | F91-E363 HydrophobicContact CE1-CG 4.32Å; F91-E363 HydrophobicContact CZ-CG 4.34Å; I95-E363 HydrophobicContact CD1-CG 3.89Å; R349-E363 WeakPolarHBondContact CD-OE2 3.41Å; R349-E363 WeakPolarHBondContact CG-OE2 3.29Å; R349-E363 IonicContact CZ-OE1 2.66Å; R349-E363 IonicContact CZ-OE2 2.96Å; R349-E363 IonicContact NE-OE1 2.68Å; R349-E363 PolarHBondContact NE-OE1 3.16Å; R349-E363 IonicContact NE-OE2 3.67Å; R349-E363 PolarHBondContact NE-OE2 2.82Å; R349-E363 IonicContact NH2-OE1 3.75Å; R349-E363 PolarHBondContact NH2-OE1 3.42Å; F358-E363 HydrophobicContact CD1-CB 4.22Å; F358-E363 HydrophobicContact CE1-CB 3.71Å; F358-E363 HydrophobicContact CE1-CG 4.48Å; T359-E363 PolarHBondContact O-N 3.28Å; E361-E363 VanDerWaalsContact C-N 3.32Å; E361-E363 PolarHBondContact O-N 2.75Å; E363-K365 VanDerWaalsContact C-N 3.33Å; E363-K365 PolarHBondContact O-N 3.22Å; E363-L366 PolarHBondContact O-N 3.12Å; E363-A367 WeakPolarHBondContact O-CB 3.43Å; E363-A367 PolarHBondContact O-N 2.69Å |
| 364 | S | 96.9 | Very high | 96.9 | Very high | 82 Ų | 82 | 73.7 Ų | 73.7 | 57% | 0.573 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61 | -44.1 | -177.5 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | S360 E361 Q368 | S360-S364 WeakPolarHBondContact O-CB 3.44Å; S360-S364 PolarHBondContact O-N 3.4Å; S360-S364 PolarHBondContact O-OG 3.44Å; E361-S364 PolarHBondContact O-N 2.93Å; S364-Q368 PolarHBondContact O-N 3.17Å; S364-Q368 VanDerWaalsContact O-N 3.13Å |
| 365 | K | 98 | Very high | 97.2 | Very high | 137 Ų | 137 | 74.1 Ų | 74.1 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.5 | -48.1 | 175.8 | -177.8 | 176.7 | 178.3 | -179.4 | 0 | 111.5 | E361 E363 A367 Q368 D369 | E361-K365 WeakPolarHBondContact O-CB 2.98Å; E361-K365 PolarHBondContact O-N 3.37Å; E363-K365 VanDerWaalsContact C-N 3.33Å; E363-K365 PolarHBondContact O-N 3.22Å; K365-A367 VanDerWaalsContact C-N 3.35Å; K365-A367 PolarHBondContact O-N 3.23Å; K365-Q368 WeakPolarHBondContact O-CB 3.06Å; K365-Q368 PolarHBondContact O-N 3.19Å; K365-D369 PolarHBondContact O-N 2.63Å |
| 366 | L | 98.1 | Very high | 97.5 | Very high | 26 Ų | 26 | 75.5 Ų | 75.5 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | -179.5 | -175 | 71.4 | 0 | 0 | 0 | 112.2 | K92 I95 F358 E362 E363 Q368 D369 Y370 | K92-L366 HydrophobicContact CB-CD2 4.15Å; K92-L366 HydrophobicContact CD-CD2 4.27Å; K92-L366 HydrophobicContact CG-CD2 3.63Å; I95-L366 HydrophobicContact CD1-CD2 4.02Å; F358-L366 HydrophobicContact CZ-CD2 4.12Å; E362-L366 WeakPolarHBondContact O-CB 3.23Å; E362-L366 PolarHBondContact O-N 2.99Å; E363-L366 PolarHBondContact O-N 3.12Å; L366-Q368 VanDerWaalsContact C-N 3.32Å; L366-Q368 PolarHBondContact O-N 2.91Å; L366-D369 PolarHBondContact O-N 3.34Å; L366-Y370 HydrophobicContact CD1-CD2 4.32Å; L366-Y370 HydrophobicContact CD1-CE1 4.02Å; L366-Y370 HydrophobicContact CD1-CE2 3.71Å; L366-Y370 HydrophobicContact CD2-CD2 4.47Å; L366-Y370 HydrophobicContact CD2-CE2 3.71Å; L366-Y370 HydrophobicContact CG-CD2 3.9Å; L366-Y370 HydrophobicContact CG-CE2 3.47Å; L366-Y370 VanDerWaalsContact CG-CE2 3.47Å; L366-Y370 PolarHBondContact O-N 2.94Å |
| 367 | A | 97.7 | Very high | 97.6 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I95 E363 K365 R371 | I95-A367 HydrophobicContact CG2-CB 3.96Å; E363-A367 WeakPolarHBondContact O-CB 3.43Å; E363-A367 PolarHBondContact O-N 2.69Å; K365-A367 VanDerWaalsContact C-N 3.35Å; K365-A367 PolarHBondContact O-N 3.23Å; A367-R371 WeakPolarHBondContact O-CG 3.31Å; A367-R371 PolarHBondContact O-N 3.5Å |
| 368 | Q | 98.2 | Very high | 97.8 | Very high | 129 Ų | 129 | 64 Ų | 64 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.8 | -42.9 | 176.4 | -175.1 | 176.7 | 7 | 0 | 0 | 112.6 | S364 K365 L366 R371 S372 | S364-Q368 PolarHBondContact O-N 3.17Å; S364-Q368 VanDerWaalsContact O-N 3.13Å; K365-Q368 WeakPolarHBondContact O-CB 3.06Å; K365-Q368 PolarHBondContact O-N 3.19Å; L366-Q368 VanDerWaalsContact C-N 3.32Å; L366-Q368 PolarHBondContact O-N 2.91Å; Q368-R371 PolarHBondContact O-N 2.88Å; Q368-S372 PolarHBondContact O-N 3.44Å; Q368-S372 VanDerWaalsContact O-N 3.08Å; Q368-S372 PolarHBondContact O-OG 3.28Å |
| 369 | D | 98.5 | Very high | 97.9 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 178.2 | -70 | -18.8 | 0 | 0 | 0 | 110.4 | K365 L366 R371 S372 D373 | K365-D369 PolarHBondContact O-N 2.63Å; L366-D369 PolarHBondContact O-N 3.34Å; D369-R371 PolarHBondContact O-N 2.91Å; D369-S372 WeakPolarHBondContact O-CB 3.35Å; D369-S372 PolarHBondContact O-N 3.14Å; D369-S372 VanDerWaalsContact O-N 3.14Å; D369-D373 PolarHBondContact O-N 3.08Å |
| 370 | Y | 98.6 | Very high | 97.9 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 17% | 0.173 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -42.4 | 177.4 | -72.5 | -25.8 | 0 | 0 | 0 | 113.5 | K92 I95 F96 L366 S372 D373 V374 | K92-Y370 WeakPolarHBondContact O-CE2 3.39Å; I95-Y370 HydrophobicContact CB-CD2 4.49Å; I95-Y370 HydrophobicContact CB-CE2 4.49Å; I95-Y370 HydrophobicContact CG2-CD2 4.02Å; I95-Y370 HydrophobicContact CG2-CE2 4.43Å; F96-Y370 HydrophobicContact CB-CD2 3.72Å; F96-Y370 HydrophobicContact CB-CE2 3.61Å; F96-Y370 HydrophobicContact CB-CG 4.24Å; F96-Y370 AromaticContact CD2-CD1 3.86Å; F96-Y370 HydrophobicContact CD2-CD1 3.86Å; F96-Y370 HydrophobicContact CD2-CD2 4.08Å; F96-Y370 HydrophobicContact CD2-CE1 4.35Å; F96-Y370 AromaticContact CD2-CG 3.71Å; F96-Y370 HydrophobicContact CD2-CG 3.71Å; F96-Y370 HydrophobicContact CE2-CD1 4.3Å; F96-Y370 HydrophobicContact CE2-CG 4.47Å; F96-Y370 HydrophobicContact CG-CD1 4.35Å; F96-Y370 HydrophobicContact CG-CD2 4.25Å; F96-Y370 HydrophobicContact CG-CE1 4.41Å; F96-Y370 HydrophobicContact CG-CE2 4.3Å; F96-Y370 HydrophobicContact CG-CG 4.27Å; L366-Y370 HydrophobicContact CD1-CD2 4.32Å; L366-Y370 HydrophobicContact CD1-CE1 4.02Å; L366-Y370 HydrophobicContact CD1-CE2 3.71Å; L366-Y370 HydrophobicContact CD2-CD2 4.47Å; L366-Y370 HydrophobicContact CD2-CE2 3.71Å; L366-Y370 HydrophobicContact CG-CD2 3.9Å; L366-Y370 HydrophobicContact CG-CE2 3.47Å; L366-Y370 VanDerWaalsContact CG-CE2 3.47Å; L366-Y370 PolarHBondContact O-N 2.94Å; Y370-S372 VanDerWaalsContact C-N 3.27Å; Y370-S372 PolarHBondContact O-N 3.3Å; Y370-D373 PolarHBondContact O-N 3.45Å; Y370-V374 VanDerWaalsContact O-CG2 3.31Å; Y370-V374 WeakPolarHBondContact O-CG2 3.16Å; Y370-V374 PolarHBondContact O-N 2.93Å |
| 371 | R | 98.5 | Very high | 98 | Very high | 86 Ų | 86 | 64 Ų | 64 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.9 | -45 | 173.6 | -70.9 | 168.1 | 74.1 | 77.2 | 2.7 | 111.4 | A99 E102 A367 Q368 D369 D373 V374 I375 | A99-R371 HydrophobicContact CB-CG 4.21Å; E102-R371 IonicContact OE1-CZ 2.79Å; E102-R371 VanDerWaalsContact OE1-CZ 3.25Å; E102-R371 IonicContact OE1-NH1 2.69Å; E102-R371 PolarHBondContact OE1-NH1 2.85Å; E102-R371 IonicContact OE1-NH2 3.42Å; E102-R371 PolarHBondContact OE1-NH2 2.96Å; E102-R371 IonicContact OE2-CZ 3.86Å; E102-R371 IonicContact OE2-NH1 2.75Å; E102-R371 PolarHBondContact OE2-NH1 3.14Å; A367-R371 WeakPolarHBondContact O-CG 3.31Å; A367-R371 PolarHBondContact O-N 3.5Å; Q368-R371 PolarHBondContact O-N 2.88Å; D369-R371 PolarHBondContact O-N 2.91Å; R371-D373 VanDerWaalsContact C-N 3.32Å; R371-D373 PolarHBondContact O-N 3.49Å; R371-V374 PolarHBondContact O-N 3.29Å; R371-I375 VanDerWaalsContact O-CG1 3.27Å; R371-I375 WeakPolarHBondContact O-CG1 3.41Å; R371-I375 PolarHBondContact O-N 3.29Å |
| 372 | S | 98.5 | Very high | 97.9 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 42% | 0.42 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 179.1 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | Q368 D369 Y370 R376 | Q368-S372 PolarHBondContact O-N 3.44Å; Q368-S372 VanDerWaalsContact O-N 3.08Å; Q368-S372 PolarHBondContact O-OG 3.28Å; D369-S372 WeakPolarHBondContact O-CB 3.35Å; D369-S372 PolarHBondContact O-N 3.14Å; D369-S372 VanDerWaalsContact O-N 3.14Å; Y370-S372 VanDerWaalsContact C-N 3.27Å; Y370-S372 PolarHBondContact O-N 3.3Å; S372-R376 WeakPolarHBondContact O-CB 3.43Å; S372-R376 PolarHBondContact O-N 2.64Å |
| 373 | D | 98.5 | Very high | 97.7 | Very high | 49 Ų | 49 | 64.1 Ų | 64.1 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 176.4 | -72.7 | -19.7 | 0 | 0 | 0 | 112.6 | L156 D369 Y370 R371 R376 A377 | L156-D373 HydrophobicContact CD2-CB 4.09Å; D369-D373 PolarHBondContact O-N 3.08Å; Y370-D373 PolarHBondContact O-N 3.45Å; R371-D373 VanDerWaalsContact C-N 3.32Å; R371-D373 PolarHBondContact O-N 3.49Å; D373-R376 PolarHBondContact O-N 3.05Å; D373-R376 IonicContact OD1-CZ 3.58Å; D373-R376 IonicContact OD1-NH1 2.67Å; D373-R376 PolarHBondContact OD1-NH1 3.41Å; D373-R376 IonicContact OD1-NH2 2.93Å; D373-R376 PolarHBondContact OD1-NH2 2.99Å; D373-A377 WeakPolarHBondContact O-CB 3.45Å; D373-A377 PolarHBondContact O-N 3.19Å |
| 374 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 177.4 | -177 | 0 | 0 | 0 | 0 | 111.2 | F96 I100 I103 L156 Y370 R371 R376 A377 L378 | F96-V374 HydrophobicContact CE2-CG2 4.07Å; I100-V374 HydrophobicContact CB-CG2 4.46Å; I100-V374 HydrophobicContact CG1-CG2 3.67Å; I103-V374 HydrophobicContact CB-CB 4.37Å; I103-V374 HydrophobicContact CB-CG1 3.69Å; I103-V374 HydrophobicContact CG1-CB 4.29Å; I103-V374 HydrophobicContact CG1-CG1 4.17Å; I103-V374 HydrophobicContact CG2-CB 4.44Å; I103-V374 HydrophobicContact CG2-CG1 3.68Å; L156-V374 HydrophobicContact CD1-CG2 4.05Å; L156-V374 HydrophobicContact CD2-CG2 4.14Å; Y370-V374 VanDerWaalsContact O-CG2 3.31Å; Y370-V374 WeakPolarHBondContact O-CG2 3.16Å; Y370-V374 PolarHBondContact O-N 2.93Å; R371-V374 PolarHBondContact O-N 3.29Å; V374-R376 VanDerWaalsContact C-N 3.31Å; V374-R376 PolarHBondContact O-N 3.26Å; V374-A377 PolarHBondContact O-N 2.91Å; V374-L378 WeakPolarHBondContact O-CB 3.46Å; V374-L378 PolarHBondContact O-N 3.25Å |
| 375 | I | 98.5 | Very high | 97.1 | Very high | 82 Ų | 82 | 64.3 Ų | 64.3 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 175.1 | -69.2 | 165.7 | 0 | 0 | 0 | 110.8 | I103 R371 L378 T379 | I103-I375 HydrophobicContact CD1-CD1 4.02Å; I103-I375 HydrophobicContact CD1-CG1 3.85Å; I103-I375 HydrophobicContact CG1-CG1 4.31Å; I103-I375 HydrophobicContact CG2-CG1 4.2Å; R371-I375 VanDerWaalsContact O-CG1 3.27Å; R371-I375 WeakPolarHBondContact O-CG1 3.41Å; R371-I375 PolarHBondContact O-N 3.29Å; I375-L378 PolarHBondContact O-N 2.77Å; I375-T379 WeakPolarHBondContact O-CB 3.38Å; I375-T379 PolarHBondContact O-N 2.79Å; I375-T379 PolarHBondContact O-OG1 2.84Å |
| 376 | R | 98.5 | Very high | 96.9 | Very high | 142 Ų | 142 | 61.1 Ų | 61.1 | 54% | 0.536 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 176.1 | -175.4 | 174.9 | 68.6 | -120.4 | -3.1 | 111 | S372 D373 V374 L378 T379 I380 | S372-R376 WeakPolarHBondContact O-CB 3.43Å; S372-R376 PolarHBondContact O-N 2.64Å; D373-R376 PolarHBondContact O-N 3.05Å; D373-R376 IonicContact OD1-CZ 3.58Å; D373-R376 IonicContact OD1-NH1 2.67Å; D373-R376 PolarHBondContact OD1-NH1 3.41Å; D373-R376 IonicContact OD1-NH2 2.93Å; D373-R376 PolarHBondContact OD1-NH2 2.99Å; V374-R376 VanDerWaalsContact C-N 3.31Å; V374-R376 PolarHBondContact O-N 3.26Å; R376-L378 PolarHBondContact O-N 2.66Å; R376-T379 PolarHBondContact O-N 3.24Å; R376-I380 HydrophobicContact CG-CD1 4Å; R376-I380 WeakPolarHBondContact O-CG1 3.45Å; R376-I380 PolarHBondContact O-N 3.28Å |
| 377 | A | 98.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -42.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L156 Q157 V160 D373 V374 I380 A381 | L156-A377 HydrophobicContact CD2-CB 3.99Å; L156-A377 HydrophobicContact CG-CB 3.87Å; Q157-A377 PolarHBondContact NE2-O 2.87Å; Q157-A377 VanDerWaalsContact NE2-O 3.12Å; Q157-A377 PolarHBondContact OE1-O 3.34Å; V160-A377 HydrophobicContact CB-CB 4.47Å; V160-A377 HydrophobicContact CG2-CB 4.05Å; D373-A377 WeakPolarHBondContact O-CB 3.45Å; D373-A377 PolarHBondContact O-N 3.19Å; V374-A377 PolarHBondContact O-N 2.91Å; A377-I380 PolarHBondContact O-N 2.96Å; A377-A381 VanDerWaalsContact O-CB 3.3Å; A377-A381 WeakPolarHBondContact O-CB 3.32Å; A377-A381 PolarHBondContact O-N 3.45Å |
| 378 | L | 98.3 | Very high | 96 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.7 | -177.4 | 62.2 | 0 | 0 | 0 | 112.2 | I103 L104 A107 V160 V164 V374 I375 R376 I380 A381 E382 | I103-L378 HydrophobicContact CG2-CD2 4.22Å; L104-L378 HydrophobicContact CD2-CD1 4.32Å; A107-L378 HydrophobicContact CB-CD2 3.72Å; V160-L378 HydrophobicContact CG1-CB 4.15Å; V160-L378 HydrophobicContact CG1-CD1 3.86Å; V164-L378 HydrophobicContact CG2-CD1 4.07Å; V374-L378 WeakPolarHBondContact O-CB 3.46Å; V374-L378 PolarHBondContact O-N 3.25Å; I375-L378 PolarHBondContact O-N 2.77Å; R376-L378 PolarHBondContact O-N 2.66Å; L378-I380 VanDerWaalsContact C-N 3.27Å; L378-I380 PolarHBondContact O-N 2.69Å; L378-A381 PolarHBondContact O-N 2.96Å; L378-A381 VanDerWaalsContact O-N 3.17Å; L378-E382 HydrophobicContact CD1-CG 4.07Å; L378-E382 HydrophobicContact CG-CG 4.42Å; L378-E382 WeakPolarHBondContact O-CB 3.44Å; L378-E382 VanDerWaalsContact O-CG 3.29Å; L378-E382 WeakPolarHBondContact O-CG 3.38Å; L378-E382 PolarHBondContact O-N 3.17Å |
| 379 | T | 97.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 33% | 0.331 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 177.5 | -57 | 0 | 0 | 0 | 0 | 111.9 | I375 R376 K383 | I375-T379 WeakPolarHBondContact O-CB 3.38Å; I375-T379 PolarHBondContact O-N 2.79Å; I375-T379 PolarHBondContact O-OG1 2.84Å; R376-T379 PolarHBondContact O-N 3.24Å; T379-K383 WeakPolarHBondContact O-CG 3.32Å |
| 380 | I | 96.9 | Very high | 95 | Very high | 76 Ų | 76 | 53 Ų | 53 | 39% | 0.39 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.8 | -48.8 | 174.6 | -70 | 166.8 | 0 | 0 | 0 | 110.1 | R376 A377 L378 E382 K383 K384 | R376-I380 HydrophobicContact CG-CD1 4Å; R376-I380 WeakPolarHBondContact O-CG1 3.45Å; R376-I380 PolarHBondContact O-N 3.28Å; A377-I380 PolarHBondContact O-N 2.96Å; L378-I380 VanDerWaalsContact C-N 3.27Å; L378-I380 PolarHBondContact O-N 2.69Å; I380-E382 VanDerWaalsContact C-N 3.32Å; I380-E382 PolarHBondContact O-N 2.8Å; I380-K383 PolarHBondContact O-N 3.34Å; I380-K384 PolarHBondContact O-N 2.94Å |
| 381 | A | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -36.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V160 D161 V164 N166 A377 L378 K383 K384 | V160-A381 HydrophobicContact CB-CB 4.46Å; V160-A381 HydrophobicContact CG1-CB 3.73Å; D161-A381 WeakPolarHBondContact OD1-CB 3.34Å; V164-A381 HydrophobicContact CB-CB 4.35Å; V164-A381 HydrophobicContact CG2-CB 3.87Å; N166-A381 WeakPolarHBondContact ND2-CA 3.46Å; N166-A381 WeakPolarHBondContact ND2-CB 3.47Å; N166-A381 PolarHBondContact ND2-O 3.19Å; A377-A381 VanDerWaalsContact O-CB 3.3Å; A377-A381 WeakPolarHBondContact O-CB 3.32Å; A377-A381 PolarHBondContact O-N 3.45Å; L378-A381 PolarHBondContact O-N 2.96Å; L378-A381 VanDerWaalsContact O-N 3.17Å; A381-K383 VanDerWaalsContact C-N 3.35Å; A381-K384 PolarHBondContact O-N 3.46Å |
| 382 | E | 95.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 53 Ų | 53 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74.1 | -23.7 | -180 | -73 | 174.6 | 161.3 | 0 | 0 | 114.2 | R112 V164 L378 I380 K384 | R112-E382 WeakPolarHBondContact CB-OE1 3.48Å; R112-E382 IonicContact CZ-OE1 3.18Å; R112-E382 IonicContact CZ-OE2 2.64Å; R112-E382 IonicContact NE-OE1 3.77Å; R112-E382 PolarHBondContact NE-OE1 3.14Å; R112-E382 IonicContact NE-OE2 3.15Å; R112-E382 IonicContact NH2-OE1 2.87Å; R112-E382 PolarHBondContact NH2-OE1 3.44Å; R112-E382 IonicContact NH2-OE2 2.74Å; R112-E382 PolarHBondContact NH2-OE2 2.93Å; V164-E382 HydrophobicContact CG2-CG 4.44Å; L378-E382 HydrophobicContact CD1-CG 4.07Å; L378-E382 HydrophobicContact CG-CG 4.42Å; L378-E382 WeakPolarHBondContact O-CB 3.44Å; L378-E382 VanDerWaalsContact O-CG 3.29Å; L378-E382 WeakPolarHBondContact O-CG 3.38Å; L378-E382 PolarHBondContact O-N 3.17Å; I380-E382 VanDerWaalsContact C-N 3.32Å; I380-E382 PolarHBondContact O-N 2.8Å; E382-K384 VanDerWaalsContact C-N 3.33Å |
| 383 | K | 93.5 | Very high | 94.2 | Very high | 172 Ų | 172 | 51.2 Ų | 51.2 | 75% | 0.748 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -79.6 | -19.1 | 175.1 | -71.3 | 175.2 | -177.2 | -179.6 | 0 | 112.5 | T379 I380 A381 | T379-K383 WeakPolarHBondContact O-CG 3.32Å; I380-K383 PolarHBondContact O-N 3.34Å; A381-K383 VanDerWaalsContact C-N 3.35Å |
| 384 | K | 91.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 51 Ų | 51 | 18% | 0.178 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -73.3 | 150.4 | 177 | -64.6 | 177.2 | -170.4 | 176.8 | 0 | 110.4 | D161 N166 D168 I380 A381 E382 | D161-K384 IonicContact OD1-NZ 2.74Å; D161-K384 PolarHBondContact OD1-NZ 3.18Å; D161-K384 IonicContact OD2-NZ 3.58Å; D161-K384 PolarHBondContact OD2-NZ 3.02Å; N166-K384 HydrophobicContact CB-CB 3.88Å; D168-K384 HydrophobicContact CB-CD 4.28Å; D168-K384 WeakPolarHBondContact OD2-CD 3.32Å; D168-K384 WeakPolarHBondContact OD2-CE 3.26Å; D168-K384 IonicContact OD2-NZ 3.19Å; D168-K384 PolarHBondContact OD2-NZ 3.13Å; I380-K384 PolarHBondContact O-N 2.94Å; A381-K384 PolarHBondContact O-N 3.46Å; E382-K384 VanDerWaalsContact C-N 3.33Å |
| 385 | K | 90.6 | Very high | 93.7 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 165.1 | 174 | -66.5 | -165.3 | 174.7 | -143.5 | 0 | 110.4 | N166 E167 E426 S427 F428 | N166-K385 CarbonylContact C-O 3.5Å; N166-K385 WeakPolarHBondContact CA-O 3.46Å; N166-K385 WeakPolarHBondContact CB-O 3.35Å; E167-K385 WeakPolarHBondContact CB-O 3.45Å; E167-K385 PolarHBondContact N-O 2.79Å; E167-K385 PolarHBondContact OE1-N 2.58Å; K385-E426 PolarHBondContact NZ-O 3.15Å; K385-S427 CarbonylContact C-O 3.5Å; K385-S427 WeakPolarHBondContact CA-O 3.46Å; K385-S427 WeakPolarHBondContact CB-O 3.3Å; K385-F428 WeakPolarHBondContact CD-O 3.32Å |
| 386 | K | 92.6 | Very high | 93.6 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -69.7 | 158.2 | 166.8 | -55.1 | -57.4 | -179.5 | -170.8 | 0 | 110.1 | V164 G165 S427 F428 S429 | V164-K386 PolarHBondContact O-NZ 3.31Å; G165-K386 WeakPolarHBondContact O-CD 3.48Å; K386-S427 PolarHBondContact N-O 3.39Å; K386-F428 HydrophobicContact CB-CD1 3.99Å; K386-F428 HydrophobicContact CB-CE1 4.18Å; K386-F428 HydrophobicContact CB-CG 4.29Å; K386-S429 VanDerWaalsContact O-CB 3.25Å; K386-S429 WeakPolarHBondContact O-CB 3.18Å; K386-S429 PolarHBondContact O-N 3.32Å; K386-S429 PolarHBondContact O-OG 3.36Å |
| 387 | P | 89.8 | Confident | 93.5 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 160.2 | 172.4 | -24.4 | 34.6 | 0 | 0 | 0 | 111.5 | G165 N166 L172 I389 F428 S429 | G165-P387 VanDerWaalsContact O-CD 3.31Å; G165-P387 WeakPolarHBondContact O-CD 3.5Å; N166-P387 WeakPolarHBondContact O-CG 3.45Å; L172-P387 VanDerWaalsContact C-CG 3.48Å; L172-P387 WeakPolarHBondContact O-CG 3.39Å; P387-I389 PolarHBondContact O-N 3.29Å; P387-F428 WeakPolarHBondContact O-CD1 3.41Å; P387-S429 VanDerWaalsContact C-OG 3.26Å |
| 388 | P | 86.7 | Confident | 93.2 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 16% | 0.156 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 137.9 | 178.6 | -25.1 | 36.2 | 0 | 0 | 0 | 110.8 | D390 S391 S429 | P388-D390 VanDerWaalsContact CB-OD1 3.23Å; P388-D390 WeakPolarHBondContact CB-OD1 3.39Å; P388-D390 PolarHBondContact O-N 3.01Å; P388-D390 VanDerWaalsContact O-N 3.14Å; P388-S391 WeakPolarHBondContact O-CB 3.26Å; P388-S391 PolarHBondContact O-N 2.89Å; P388-S391 PolarHBondContact O-OG 2.66Å; P388-S429 WeakPolarHBondContact CA-O 3.4Å; P388-S429 WeakPolarHBondContact CD-OG 3.45Å; P388-S429 WeakPolarHBondContact CG-OG 3.43Å; P388-S429 VanDerWaalsContact N-OG 3.12Å |
| 389 | I | 87.9 | Confident | 92.8 | Very high | 41 Ų | 41 | 70.5 Ų | 70.5 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -57.7 | -34.4 | -174.9 | -166.5 | 174 | 0 | 0 | 0 | 112.4 | P387 S391 M392 L411 L412 F428 | P387-I389 PolarHBondContact O-N 3.29Å; I389-S391 PolarHBondContact O-N 2.93Å; I389-M392 VanDerWaalsContact O-CG 3.23Å; I389-M392 WeakPolarHBondContact O-CG 3.2Å; I389-M392 PolarHBondContact O-N 2.94Å; I389-L411 HydrophobicContact CD1-CD2 4.15Å; I389-L411 HydrophobicContact CG1-CD2 4.06Å; I389-L412 HydrophobicContact CG2-CD2 4.05Å; I389-F428 HydrophobicContact CB-CD1 3.88Å; I389-F428 HydrophobicContact CB-CE1 4.3Å; I389-F428 HydrophobicContact CB-CG 4.33Å; I389-F428 HydrophobicContact CG1-CD1 4.37Å; I389-F428 HydrophobicContact CG1-CE1 4.3Å |
| 390 | D | 87.5 | Confident | 92.5 | Very high | 16 Ų | 16 | 69.8 Ų | 69.8 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -75.2 | -11.1 | 179.6 | 68.6 | -31.1 | 0 | 0 | 0 | 113.8 | P388 M392 F393 K408 L412 | P388-D390 VanDerWaalsContact CB-OD1 3.23Å; P388-D390 WeakPolarHBondContact CB-OD1 3.39Å; P388-D390 PolarHBondContact O-N 3.01Å; P388-D390 VanDerWaalsContact O-N 3.14Å; D390-M392 PolarHBondContact O-N 2.79Å; D390-F393 PolarHBondContact O-N 2.79Å; D390-K408 HydrophobicContact CB-CD 4.13Å; D390-K408 HydrophobicContact CB-CG 4.1Å; D390-K408 WeakPolarHBondContact OD2-CE 3.3Å; D390-K408 IonicContact OD2-NZ 3.95Å; D390-K408 PolarHBondContact OD2-NZ 3Å; D390-L412 HydrophobicContact CB-CD1 4.02Å; D390-L412 HydrophobicContact CB-CD2 4.24Å; D390-L412 HydrophobicContact CB-CG 4.4Å |
| 391 | S | 91 | Very high | 92.3 | Very high | 17 Ų | 17 | 68.4 Ų | 68.4 | 12% | 0.119 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -61 | -22.6 | 169.6 | 73.9 | 0 | 0 | 0 | 0 | 111.3 | R174 P388 I389 F393 T394 | R174-S391 PolarHBondContact NH2-O 3.29Å; P388-S391 WeakPolarHBondContact O-CB 3.26Å; P388-S391 PolarHBondContact O-N 2.89Å; P388-S391 PolarHBondContact O-OG 2.66Å; I389-S391 PolarHBondContact O-N 2.93Å; S391-F393 PolarHBondContact O-N 3.48Å; S391-T394 PolarHBondContact O-N 3.27Å; S391-T394 PolarHBondContact O-OG1 3.35Å |
| 392 | M | 93.9 | Very high | 92.3 | Very high | 112 Ų | 112 | 73.4 Ų | 73.4 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -57.5 | -19.9 | 176.7 | 76.3 | -176.6 | -60 | 0 | 0 | 114.2 | I389 D390 L411 | I389-M392 VanDerWaalsContact O-CG 3.23Å; I389-M392 WeakPolarHBondContact O-CG 3.2Å; I389-M392 PolarHBondContact O-N 2.94Å; D390-M392 PolarHBondContact O-N 2.79Å; M392-L411 HydrophobicContact SD-CD2 3.6Å |
| 393 | F | 95 | Very high | 92.3 | Very high | 23 Ų | 23 | 79.1 Ų | 79.1 | 10% | 0.101 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -94.7 | -16.1 | 179.4 | -60.5 | -81 | 0 | 0 | 0 | 113.9 | D390 S391 L400 L404 Q407 K408 L411 | D390-F393 PolarHBondContact O-N 2.79Å; S391-F393 PolarHBondContact O-N 3.48Å; F393-L400 HydrophobicContact CB-CD1 4.13Å; F393-L400 WeakPolarHBondContact O-CD1 3.09Å; F393-L404 HydrophobicContact CD1-CD2 4.31Å; F393-Q407 HydrophobicContact CD1-CB 4.37Å; F393-Q407 HydrophobicContact CE1-CB 3.75Å; F393-Q407 HydrophobicContact CZ-CB 4.39Å; F393-K408 HydrophobicContact CB-CB 4.35Å; F393-K408 HydrophobicContact CD1-CB 4.47Å; F393-K408 HydrophobicContact CD2-CB 3.67Å; F393-K408 HydrophobicContact CD2-CG 4.04Å; F393-K408 HydrophobicContact CE2-CB 4.03Å; F393-K408 HydrophobicContact CE2-CG 4.5Å; F393-K408 HydrophobicContact CG-CB 3.91Å; F393-L411 HydrophobicContact CE2-CB 4.17Å; F393-L411 HydrophobicContact CE2-CD2 3.58Å; F393-L411 HydrophobicContact CZ-CB 4.17Å; F393-L411 HydrophobicContact CZ-CD2 4Å |
| 394 | T | 92 | Very high | 92.4 | Very high | 45 Ų | 45 | 72 Ų | 72 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 155 | -177.4 | 70.6 | 0 | 0 | 0 | 0 | 111.3 | R174 S391 V396 | R174-T394 VanDerWaalsContact CZ-O 3.32Å; R174-T394 PolarHBondContact NH1-O 2.79Å; R174-T394 PolarHBondContact NH2-O 3.35Å; R174-T394 PolarHBondContact NH2-OG1 2.89Å; S391-T394 PolarHBondContact O-N 3.27Å; S391-T394 PolarHBondContact O-OG1 3.35Å; T394-V396 PolarHBondContact O-N 3.33Å; T394-V396 VanDerWaalsContact O-N 3.14Å |
| 395 | H | 93.6 | Very high | 92.4 | Very high | 135 Ų | 135 | 75 Ų | 75 | 63% | 0.625 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 9.4 | 179.7 | -48.3 | -62.8 | 0 | 0 | 0 | 116 | R174 Y397 | R174-H395 PolarHBondContact NH1-CD2 2.96Å; H395-Y397 VanDerWaalsContact C-N 3.27Å; H395-Y397 CarbonylContact C-O 3.6Å; H395-Y397 WeakPolarHBondContact CA-O 3.3Å |
| 396 | V | 96.5 | Very high | 92.6 | Very high | 86 Ų | 86 | 77.9 Ų | 77.9 | 52% | 0.521 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -62.9 | -41.9 | 163 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | T394 L404 | T394-V396 PolarHBondContact O-N 3.33Å; T394-V396 VanDerWaalsContact O-N 3.14Å; V396-L404 HydrophobicContact CB-CD1 4.01Å; V396-L404 HydrophobicContact CG1-CD1 4.1Å |
| 397 | Y | 96.2 | Very high | 92.7 | Very high | 153 Ų | 153 | 77.8 Ų | 77.8 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -126.8 | 168.9 | 164.7 | -67.9 | -87.9 | 0 | 0 | 0 | 108 | H395 V399 T401 L404 | H395-Y397 VanDerWaalsContact C-N 3.27Å; H395-Y397 CarbonylContact C-O 3.6Å; H395-Y397 WeakPolarHBondContact CA-O 3.3Å; Y397-V399 VanDerWaalsContact C-N 3.31Å; Y397-V399 WeakPolarHBondContact CB-O 3.39Å; Y397-V399 PolarHBondContact O-N 3.47Å; Y397-T401 HydrophobicContact CD2-CG2 3.94Å; Y397-T401 HydrophobicContact CE2-CG2 4.3Å; Y397-T401 HydrophobicContact CG-CG2 4.4Å; Y397-L404 HydrophobicContact CD2-CD1 4.08Å |
| 398 | D | 93 | Very high | 92.7 | Very high | 159 Ų | 159 | 80 Ų | 80 | 85% | 0.85 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -59.8 | -43.1 | 175.1 | -172.6 | 39 | 0 | 0 | 0 | 111.6 | ||
| 399 | V | 91 | Very high | 92.7 | Very high | 109 Ų | 109 | 81.6 Ų | 81.6 | 66% | 0.661 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -114.9 | 138 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 110 | Y397 T401 | Y397-V399 VanDerWaalsContact C-N 3.31Å; Y397-V399 WeakPolarHBondContact CB-O 3.39Å; Y397-V399 PolarHBondContact O-N 3.47Å; V399-T401 PolarHBondContact O-N 3.21Å |
| 400 | L | 89.7 | Confident | 92.8 | Very high | 40 Ų | 40 | 84.7 Ų | 84.7 | 21% | 0.209 | 42% | 0.424 | C | S | . | . | trans | -63.9 | 126 | 178.6 | -160.9 | 63.8 | 0 | 0 | 0 | 110 | F393 L404 E405 K408 | F393-L400 HydrophobicContact CB-CD1 4.13Å; F393-L400 WeakPolarHBondContact O-CD1 3.09Å; L400-L404 HydrophobicContact CD1-CB 3.47Å; L400-L404 VanDerWaalsContact CD1-CB 3.47Å; L400-L404 HydrophobicContact CD1-CD1 4Å; L400-L404 HydrophobicContact CD1-CG 4.36Å; L400-L404 HydrophobicContact CG-CB 3.91Å; L400-E405 HydrophobicContact CB-CG 4.18Å; L400-E405 HydrophobicContact CD2-CB 4.33Å; L400-E405 HydrophobicContact CD2-CG 3.44Å; L400-E405 VanDerWaalsContact CD2-CG 3.44Å; L400-E405 HydrophobicContact CG-CG 3.74Å; L400-K408 HydrophobicContact CD2-CD 4.2Å | ||
| 401 | T | 94.7 | Very high | 92.8 | Very high | 46 Ų | 46 | 85.8 Ų | 85.8 | 28% | 0.282 | 43% | 0.43 | S | S | . | . | trans | -75.5 | 153.7 | 178.4 | 67 | 0 | 0 | 0 | 0 | 110.4 | Y397 V399 R403 L404 E405 | Y397-T401 HydrophobicContact CD2-CG2 3.94Å; Y397-T401 HydrophobicContact CE2-CG2 4.3Å; Y397-T401 HydrophobicContact CG-CG2 4.4Å; V399-T401 PolarHBondContact O-N 3.21Å; T401-R403 PolarHBondContact O-N 3.46Å; T401-L404 PolarHBondContact O-N 2.99Å; T401-L404 WeakPolarHBondContact OG1-CG 3.35Å; T401-L404 PolarHBondContact OG1-N 3.08Å; T401-E405 PolarHBondContact O-N 3.38Å | ||
| 402 | P | 95.5 | Very high | 92.4 | Very high | 106 Ų | 106 | 86.7 Ų | 86.7 | 69% | 0.688 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -54.7 | -31.7 | 177.5 | -28.4 | 35.3 | 0 | 0 | 0 | 113.6 | K406 | P402-K406 WeakPolarHBondContact O-CB 3.17Å; P402-K406 PolarHBondContact O-N 3.03Å |
| 403 | R | 96.8 | Very high | 91.7 | Very high | 188 Ų | 188 | 82.4 Ų | 82.4 | 71% | 0.709 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68 | -43 | 175 | -175 | 177.5 | 178.1 | 177.1 | 0.4 | 112 | T401 K406 Q407 | T401-R403 PolarHBondContact O-N 3.46Å; R403-K406 PolarHBondContact O-N 3.42Å; R403-Q407 WeakPolarHBondContact O-CG 3.45Å; R403-Q407 PolarHBondContact O-N 3.38Å |
| 404 | L | 95.5 | Very high | 91.1 | Very high | 22 Ų | 22 | 84.6 Ų | 84.6 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70 | -36.3 | 176.8 | -70.4 | 171.1 | 0 | 0 | 0 | 111.5 | F393 V396 Y397 L400 T401 K406 Q407 K408 | F393-L404 HydrophobicContact CD1-CD2 4.31Å; V396-L404 HydrophobicContact CB-CD1 4.01Å; V396-L404 HydrophobicContact CG1-CD1 4.1Å; Y397-L404 HydrophobicContact CD2-CD1 4.08Å; L400-L404 HydrophobicContact CD1-CB 3.47Å; L400-L404 VanDerWaalsContact CD1-CB 3.47Å; L400-L404 HydrophobicContact CD1-CD1 4Å; L400-L404 HydrophobicContact CD1-CG 4.36Å; L400-L404 HydrophobicContact CG-CB 3.91Å; T401-L404 PolarHBondContact O-N 2.99Å; T401-L404 WeakPolarHBondContact OG1-CG 3.35Å; T401-L404 PolarHBondContact OG1-N 3.08Å; L404-K406 VanDerWaalsContact C-N 3.33Å; L404-K406 PolarHBondContact O-N 2.54Å; L404-Q407 PolarHBondContact O-N 3.15Å; L404-K408 VanDerWaalsContact O-CB 3.3Å; L404-K408 WeakPolarHBondContact O-CB 3.27Å; L404-K408 PolarHBondContact O-N 3.03Å |
| 405 | E | 91.3 | Very high | 90.4 | Very high | 103 Ų | 103 | 83.2 Ų | 83.2 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 171.2 | -78.9 | -178.5 | 177.2 | 0 | 0 | 112.2 | L400 T401 K408 S409 | L400-E405 HydrophobicContact CB-CG 4.18Å; L400-E405 HydrophobicContact CD2-CB 4.33Å; L400-E405 HydrophobicContact CD2-CG 3.44Å; L400-E405 VanDerWaalsContact CD2-CG 3.44Å; L400-E405 HydrophobicContact CG-CG 3.74Å; T401-E405 PolarHBondContact O-N 3.38Å; E405-K408 PolarHBondContact O-N 2.88Å; E405-S409 WeakPolarHBondContact O-CB 3.05Å; E405-S409 PolarHBondContact O-N 3.2Å; E405-S409 PolarHBondContact O-OG 2.9Å |
| 406 | K | 93.7 | Very high | 89.3 | Confident | 133 Ų | 133 | 79.8 Ų | 79.8 | 58% | 0.578 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.8 | -49.9 | 174.6 | -179 | 178.7 | 171.7 | 180 | 0 | 111.4 | P402 R403 L404 K408 S409 E410 | P402-K406 WeakPolarHBondContact O-CB 3.17Å; P402-K406 PolarHBondContact O-N 3.03Å; R403-K406 PolarHBondContact O-N 3.42Å; L404-K406 VanDerWaalsContact C-N 3.33Å; L404-K406 PolarHBondContact O-N 2.54Å; K406-K408 PolarHBondContact O-N 2.88Å; K406-S409 WeakPolarHBondContact O-CB 3.46Å; K406-S409 PolarHBondContact O-N 3.46Å; K406-S409 VanDerWaalsContact O-N 3.14Å; K406-E410 WeakPolarHBondContact CE-OE1 3.07Å; K406-E410 IonicContact NZ-OE1 3.65Å; K406-E410 WeakPolarHBondContact O-CG 3.42Å; K406-E410 PolarHBondContact O-N 3.12Å |
| 407 | Q | 95.7 | Very high | 88 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 178.8 | -72.1 | 174.7 | -1.1 | 0 | 0 | 112.4 | F393 R403 L404 S409 E410 L411 | F393-Q407 HydrophobicContact CD1-CB 4.37Å; F393-Q407 HydrophobicContact CE1-CB 3.75Å; F393-Q407 HydrophobicContact CZ-CB 4.39Å; R403-Q407 WeakPolarHBondContact O-CG 3.45Å; R403-Q407 PolarHBondContact O-N 3.38Å; L404-Q407 PolarHBondContact O-N 3.15Å; Q407-S409 VanDerWaalsContact C-N 3.32Å; Q407-S409 PolarHBondContact O-N 3Å; Q407-E410 PolarHBondContact O-N 3.46Å; Q407-L411 PolarHBondContact O-N 2.79Å |
| 408 | K | 90 | Very high | 86.6 | Confident | 52 Ų | 52 | 80.8 Ų | 80.8 | 23% | 0.226 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56.4 | -46.8 | 172.7 | 171.4 | 175.5 | 168.6 | 158.5 | 0 | 111.4 | D390 F393 L400 L404 E405 K406 L411 L412 | D390-K408 HydrophobicContact CB-CD 4.13Å; D390-K408 HydrophobicContact CB-CG 4.1Å; D390-K408 WeakPolarHBondContact OD2-CE 3.3Å; D390-K408 IonicContact OD2-NZ 3.95Å; D390-K408 PolarHBondContact OD2-NZ 3Å; F393-K408 HydrophobicContact CB-CB 4.35Å; F393-K408 HydrophobicContact CD1-CB 4.47Å; F393-K408 HydrophobicContact CD2-CB 3.67Å; F393-K408 HydrophobicContact CD2-CG 4.04Å; F393-K408 HydrophobicContact CE2-CB 4.03Å; F393-K408 HydrophobicContact CE2-CG 4.5Å; F393-K408 HydrophobicContact CG-CB 3.91Å; L400-K408 HydrophobicContact CD2-CD 4.2Å; L404-K408 VanDerWaalsContact O-CB 3.3Å; L404-K408 WeakPolarHBondContact O-CB 3.27Å; L404-K408 PolarHBondContact O-N 3.03Å; E405-K408 PolarHBondContact O-N 2.88Å; K406-K408 PolarHBondContact O-N 2.88Å; K408-L411 PolarHBondContact O-N 3.21Å; K408-L412 HydrophobicContact CG-CD1 3.99Å; K408-L412 WeakPolarHBondContact O-CG 3.3Å; K408-L412 PolarHBondContact O-N 3.02Å |
| 409 | S | 86.1 | Confident | 84.9 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 41% | 0.413 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 179.2 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | E405 K406 Q407 L412 A413 | E405-S409 WeakPolarHBondContact O-CB 3.05Å; E405-S409 PolarHBondContact O-N 3.2Å; E405-S409 PolarHBondContact O-OG 2.9Å; K406-S409 WeakPolarHBondContact O-CB 3.46Å; K406-S409 PolarHBondContact O-N 3.46Å; K406-S409 VanDerWaalsContact O-N 3.14Å; Q407-S409 VanDerWaalsContact C-N 3.32Å; Q407-S409 PolarHBondContact O-N 3Å; S409-L412 PolarHBondContact O-N 2.77Å; S409-A413 WeakPolarHBondContact O-CB 3.45Å; S409-A413 PolarHBondContact O-N 2.68Å |
| 410 | E | 89.7 | Confident | 83.4 | Confident | 106 Ų | 106 | 74.5 Ų | 74.5 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 175 | -74 | 171.9 | 171.4 | 0 | 0 | 111.7 | K406 Q407 A413 H414 | K406-E410 WeakPolarHBondContact CE-OE1 3.07Å; K406-E410 IonicContact NZ-OE1 3.65Å; K406-E410 WeakPolarHBondContact O-CG 3.42Å; K406-E410 PolarHBondContact O-N 3.12Å; Q407-E410 PolarHBondContact O-N 3.46Å; E410-A413 PolarHBondContact O-N 2.72Å; E410-H414 WeakPolarHBondContact O-CB 3.47Å; E410-H414 PolarHBondContact O-N 2.92Å |
| 411 | L | 88.3 | Confident | 82.3 | Confident | 38 Ų | 38 | 78.8 Ų | 78.8 | 20% | 0.199 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 175.8 | 179.1 | 67.4 | 0 | 0 | 0 | 111.5 | I389 M392 F393 Q407 K408 A413 H414 C415 | I389-L411 HydrophobicContact CD1-CD2 4.15Å; I389-L411 HydrophobicContact CG1-CD2 4.06Å; M392-L411 HydrophobicContact SD-CD2 3.6Å; F393-L411 HydrophobicContact CE2-CB 4.17Å; F393-L411 HydrophobicContact CE2-CD2 3.58Å; F393-L411 HydrophobicContact CZ-CB 4.17Å; F393-L411 HydrophobicContact CZ-CD2 4Å; Q407-L411 PolarHBondContact O-N 2.79Å; K408-L411 PolarHBondContact O-N 3.21Å; L411-A413 VanDerWaalsContact C-N 3.28Å; L411-A413 PolarHBondContact O-N 2.71Å; L411-H414 WeakPolarHBondContact O-CA 3.41Å; L411-H414 WeakPolarHBondContact O-CB 3.41Å; L411-H414 PolarHBondContact O-N 2.88Å; L411-H414 VanDerWaalsContact O-N 3.07Å; L411-C415 PolarHBondContact O-N 3.39Å; L411-C415 PolarHBondContact O-SG 2.86Å |
| 412 | L | 81.5 | Confident | 81.7 | Confident | 37 Ų | 37 | 79.2 Ų | 79.2 | 19% | 0.194 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.2 | -36 | -178.6 | -69.7 | 171.8 | 0 | 0 | 0 | 111.6 | I389 D390 K408 S409 S416 P556 | I389-L412 HydrophobicContact CG2-CD2 4.05Å; D390-L412 HydrophobicContact CB-CD1 4.02Å; D390-L412 HydrophobicContact CB-CD2 4.24Å; D390-L412 HydrophobicContact CB-CG 4.4Å; K408-L412 HydrophobicContact CG-CD1 3.99Å; K408-L412 WeakPolarHBondContact O-CG 3.3Å; K408-L412 PolarHBondContact O-N 3.02Å; S409-L412 PolarHBondContact O-N 2.77Å; L412-S416 WeakPolarHBondContact O-CB 3.14Å; L412-S416 PolarHBondContact O-N 2.76Å; L412-P556 HydrophobicContact CB-CB 3.76Å; L412-P556 HydrophobicContact CB-CG 3.57Å; L412-P556 HydrophobicContact CD1-CG 3.57Å; L412-P556 HydrophobicContact CG-CG 4.18Å |
| 413 | A | 79.9 | Confident | 80.9 | Confident | 22 Ų | 22 | 78.5 Ų | 78.5 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S409 E410 L411 S416 K417 | S409-A413 WeakPolarHBondContact O-CB 3.45Å; S409-A413 PolarHBondContact O-N 2.68Å; E410-A413 PolarHBondContact O-N 2.72Å; L411-A413 VanDerWaalsContact C-N 3.28Å; L411-A413 PolarHBondContact O-N 2.71Å; A413-S416 PolarHBondContact O-N 2.87Å; A413-S416 PolarHBondContact O-OG 3.05Å; A413-K417 WeakPolarHBondContact O-CG 3.47Å; A413-K417 PolarHBondContact O-N 3.4Å |
| 414 | H | 83.5 | Confident | 80.2 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 32% | 0.315 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -51.5 | 176.2 | -178.3 | 81.6 | 0 | 0 | 0 | 112.2 | E410 L411 S416 K417 M418 Y423 | E410-H414 WeakPolarHBondContact O-CB 3.47Å; E410-H414 PolarHBondContact O-N 2.92Å; L411-H414 WeakPolarHBondContact O-CA 3.41Å; L411-H414 WeakPolarHBondContact O-CB 3.41Å; L411-H414 PolarHBondContact O-N 2.88Å; L411-H414 VanDerWaalsContact O-N 3.07Å; H414-S416 PolarHBondContact O-N 3.41Å; H414-K417 PolarHBondContact O-N 3.12Å; H414-M418 VanDerWaalsContact CE1-CE 3.44Å; H414-M418 WeakPolarHBondContact CE1-CE 3.4Å; H414-M418 WeakPolarHBondContact O-CG 3.23Å; H414-M418 PolarHBondContact O-N 2.78Å; H414-Y423 AromaticContact CD2-CE2 3.83Å; H414-Y423 AromaticContact CD2-CZ 3.89Å; H414-Y423 AromaticContact NE2-CE2 3.51Å; H414-Y423 AromaticContact NE2-CZ 3.53Å; H414-Y423 PolarHBondContact NE2-OH 2.75Å |
| 415 | C | 76.3 | Confident | 79 | Confident | 16 Ų | 16 | 75 Ų | 75 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.4 | -30.3 | 177.5 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | L411 | L411-C415 PolarHBondContact O-N 3.39Å; L411-C415 PolarHBondContact O-SG 2.86Å |
| 416 | S | 69.5 | Low | 78.1 | Confident | 63 Ų | 63 | 77.4 Ų | 77.4 | 44% | 0.441 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -75.9 | -22.2 | 177 | 78.5 | 0 | 0 | 0 | 0 | 114.6 | L412 A413 H414 S557 | L412-S416 WeakPolarHBondContact O-CB 3.14Å; L412-S416 PolarHBondContact O-N 2.76Å; A413-S416 PolarHBondContact O-N 2.87Å; A413-S416 PolarHBondContact O-OG 3.05Å; H414-S416 PolarHBondContact O-N 3.41Å; S416-S557 WeakPolarHBondContact OG-CB 3.34Å |
| 417 | K | 71.1 | Confident | 77.5 | Confident | 172 Ų | 172 | 73.9 Ų | 73.9 | 75% | 0.748 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -91.7 | -34.4 | -179.6 | -72.1 | 176.6 | -177.8 | 179.9 | 0 | 112 | A413 H414 | A413-K417 WeakPolarHBondContact O-CG 3.47Å; A413-K417 PolarHBondContact O-N 3.4Å; H414-K417 PolarHBondContact O-N 3.12Å |
| 418 | M | 66.4 | Low | 76.8 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 43% | 0.433 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -75 | 146.5 | -178.7 | -66.3 | -62.6 | 165.1 | 0 | 0 | 110.8 | H414 A422 Y423 | H414-M418 VanDerWaalsContact CE1-CE 3.44Å; H414-M418 WeakPolarHBondContact CE1-CE 3.4Å; H414-M418 WeakPolarHBondContact O-CG 3.23Å; H414-M418 PolarHBondContact O-N 2.78Å; M418-A422 HydrophobicContact CB-CB 4.24Å; M418-Y423 HydrophobicContact CB-CD2 4.2Å; M418-Y423 HydrophobicContact CB-CE2 4.18Å; M418-Y423 HydrophobicContact CG-CE2 4.13Å |
| 419 | S | 56.6 | Low | 76.1 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 47% | 0.469 | 41% | 0.405 | S | S | . | . | trans | -59.4 | 150.4 | 175.3 | 58.1 | 0 | 0 | 0 | 0 | 110.1 | T421 A422 | S419-T421 WeakPolarHBondContact CB-OG1 3.25Å; S419-T421 PolarHBondContact O-N 2.67Å; S419-T421 PolarHBondContact OG-OG1 3.17Å; S419-A422 PolarHBondContact O-N 3.18Å | ||
| 420 | A | 60.6 | Low | 75.3 | Confident | 70 Ų | 70 | 72.9 Ų | 72.9 | 58% | 0.579 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -14.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 421 | T | 66.6 | Low | 74.3 | Confident | 130 Ų | 130 | 69.9 Ų | 69.9 | 80% | 0.798 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18.5 | 176.7 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | S419 | S419-T421 WeakPolarHBondContact CB-OG1 3.25Å; S419-T421 PolarHBondContact O-N 2.67Å; S419-T421 PolarHBondContact OG-OG1 3.17Å |
| 422 | A | 80.3 | Confident | 73.4 | Confident | 55 Ų | 55 | 71 Ų | 71 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -26 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M418 S419 | M418-A422 HydrophobicContact CB-CB 4.24Å; S419-A422 PolarHBondContact O-N 3.18Å |
| 423 | Y | 80.1 | Confident | 73.3 | Confident | 90 Ų | 90 | 71.9 Ų | 71.9 | 35% | 0.353 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -137.6 | 143.2 | -179.8 | -67.1 | -88 | 0 | 0 | 0 | 109.8 | H414 M418 N425 | H414-Y423 AromaticContact CD2-CE2 3.83Å; H414-Y423 AromaticContact CD2-CZ 3.89Å; H414-Y423 AromaticContact NE2-CE2 3.51Å; H414-Y423 AromaticContact NE2-CZ 3.53Å; H414-Y423 PolarHBondContact NE2-OH 2.75Å; M418-Y423 HydrophobicContact CB-CD2 4.2Å; M418-Y423 HydrophobicContact CB-CE2 4.18Å; M418-Y423 HydrophobicContact CG-CE2 4.13Å; Y423-N425 WeakPolarHBondContact CB-OD1 3.31Å; Y423-N425 PolarHBondContact O-N 3.24Å |
| 424 | P | 81.5 | Confident | 73.2 | Confident | 86 Ų | 86 | 79 Ų | 79 | 56% | 0.558 | 43% | 0.427 | S | S | * | . | trans | -76.3 | 52.2 | 178.4 | 31.9 | -33.8 | 0 | 0 | 0 | 112 | E426 S427 F428 | P424-E426 PolarHBondContact O-N 3.05Å; P424-E426 VanDerWaalsContact O-N 3.16Å; P424-S427 VanDerWaalsContact O-CB 3.31Å; P424-S427 WeakPolarHBondContact O-CB 3.18Å; P424-S427 PolarHBondContact O-N 2.99Å; P424-S427 PolarHBondContact O-OG 3.4Å; P424-F428 HydrophobicContact CG-CE2 4.26Å; P424-F428 WeakPolarHBondContact O-CD2 3.37Å | ||
| 425 | N | 70.3 | Confident | 73.2 | Confident | 51 Ų | 51 | 76.6 Ų | 76.6 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -58.3 | -32.2 | -172.3 | -70 | -30.2 | 0 | 0 | 0 | 112.8 | Y423 S427 F428 | Y423-N425 WeakPolarHBondContact CB-OD1 3.31Å; Y423-N425 PolarHBondContact O-N 3.24Å; N425-S427 PolarHBondContact O-N 3.27Å; N425-F428 PolarHBondContact O-N 3.35Å; N425-F428 VanDerWaalsContact O-N 3.15Å |
| 426 | E | 73.5 | Confident | 73.6 | Confident | 153 Ų | 153 | 81.8 Ų | 81.8 | 72% | 0.715 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -65.1 | -25.8 | -179.9 | -62.2 | -175.4 | 178.3 | 0 | 0 | 113 | K385 P424 F428 | K385-E426 PolarHBondContact NZ-O 3.15Å; P424-E426 PolarHBondContact O-N 3.05Å; P424-E426 VanDerWaalsContact O-N 3.16Å; E426-F428 VanDerWaalsContact C-N 3.29Å; E426-F428 PolarHBondContact O-N 3.1Å |
| 427 | S | 79.2 | Confident | 74.5 | Confident | 60 Ų | 60 | 80 Ų | 80 | 42% | 0.42 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -73.3 | -18.3 | 177.2 | -52.9 | 0 | 0 | 0 | 0 | 113 | K385 K386 P424 N425 | K385-S427 CarbonylContact C-O 3.5Å; K385-S427 WeakPolarHBondContact CA-O 3.46Å; K385-S427 WeakPolarHBondContact CB-O 3.3Å; K386-S427 PolarHBondContact N-O 3.39Å; P424-S427 VanDerWaalsContact O-CB 3.31Å; P424-S427 WeakPolarHBondContact O-CB 3.18Å; P424-S427 PolarHBondContact O-N 2.99Å; P424-S427 PolarHBondContact O-OG 3.4Å; N425-S427 PolarHBondContact O-N 3.27Å |
| 428 | F | 81 | Confident | 75.4 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 27% | 0.268 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -92.4 | 141.5 | -179.4 | -66.8 | -103.5 | 0 | 0 | 0 | 110.9 | K385 K386 P387 I389 P424 N425 E426 | K385-F428 WeakPolarHBondContact CD-O 3.32Å; K386-F428 HydrophobicContact CB-CD1 3.99Å; K386-F428 HydrophobicContact CB-CE1 4.18Å; K386-F428 HydrophobicContact CB-CG 4.29Å; P387-F428 WeakPolarHBondContact O-CD1 3.41Å; I389-F428 HydrophobicContact CB-CD1 3.88Å; I389-F428 HydrophobicContact CB-CE1 4.3Å; I389-F428 HydrophobicContact CB-CG 4.33Å; I389-F428 HydrophobicContact CG1-CD1 4.37Å; I389-F428 HydrophobicContact CG1-CE1 4.3Å; P424-F428 HydrophobicContact CG-CE2 4.26Å; P424-F428 WeakPolarHBondContact O-CD2 3.37Å; N425-F428 PolarHBondContact O-N 3.35Å; N425-F428 VanDerWaalsContact O-N 3.15Å; E426-F428 VanDerWaalsContact C-N 3.29Å; E426-F428 PolarHBondContact O-N 3.1Å |
| 429 | S | 76.4 | Confident | 76.4 | Confident | 12 Ų | 12 | 75 Ų | 75 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 161.9 | 170.4 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | E167 K386 P387 P388 | E167-S429 WeakPolarHBondContact OE2-CB 3.39Å; K386-S429 VanDerWaalsContact O-CB 3.25Å; K386-S429 WeakPolarHBondContact O-CB 3.18Å; K386-S429 PolarHBondContact O-N 3.32Å; K386-S429 PolarHBondContact O-OG 3.36Å; P387-S429 VanDerWaalsContact C-OG 3.26Å; P388-S429 WeakPolarHBondContact CA-O 3.4Å; P388-S429 WeakPolarHBondContact CD-OG 3.45Å; P388-S429 WeakPolarHBondContact CG-OG 3.43Å; P388-S429 VanDerWaalsContact N-OG 3.12Å |
| 430 | Y | 69.5 | Low | 78 | Confident | 85 Ų | 85 | 76.8 Ų | 76.8 | 33% | 0.333 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 154.3 | 176.1 | -63.4 | -84.8 | 0 | 0 | 0 | 110 | C432 Q536 | Y430-C432 PolarHBondContact O-N 3.4Å; Y430-Q536 WeakPolarHBondContact CD1-O 3.38Å; Y430-Q536 HydrophobicContact CD2-CB 3.68Å; Y430-Q536 HydrophobicContact CD2-CG 3.7Å; Y430-Q536 HydrophobicContact CE1-CB 4.48Å; Y430-Q536 WeakPolarHBondContact CE1-O 3.34Å; Y430-Q536 HydrophobicContact CE2-CB 3.58Å; Y430-Q536 HydrophobicContact CE2-CG 4.15Å; Y430-Q536 HydrophobicContact CG-CB 4.16Å; Y430-Q536 HydrophobicContact CG-CG 3.92Å; Y430-Q536 VanDerWaalsContact CZ-O 3.3Å |
| 431 | P | 68 | Low | 79.3 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 29% | 0.286 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 128.3 | 174.1 | -25.6 | 34.1 | 0 | 0 | 0 | 111.2 | L539 | P431-L539 PolarHBondContact O-N 2.93Š|
| 432 | C | 69.7 | Low | 80.1 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 41% | 0.405 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 107.5 | 172.7 | -170.2 | 0 | 0 | 0 | 0 | 108.9 | Y430 L539 | Y430-C432 PolarHBondContact O-N 3.4Å; C432-L539 CarbonylContact C-O 3.57Å; C432-L539 VanDerWaalsContact CA-O 3.3Å; C432-L539 WeakPolarHBondContact CA-O 3.39Å; C432-L539 HydrophobicContact CB-CB 4.44Å |
| 433 | L | 78.5 | Confident | 80.2 | Confident | 56 Ų | 56 | 75.2 Ų | 75.2 | 29% | 0.293 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 120.1 | 178.7 | -60.1 | 175.3 | 0 | 0 | 0 | 109.3 | I435 C538 L539 V540 E541 V551 | L433-I435 HydrophobicContact CB-CD1 4.19Å; L433-I435 HydrophobicContact CB-CG1 4.14Å; L433-C538 HydrophobicContact CD1-CB 4.13Å; L433-C538 HydrophobicContact CG-CB 4.4Å; L433-L539 PolarHBondContact N-O 3.17Å; L433-V540 HydrophobicContact CB-CG2 4.36Å; L433-V540 CarbonylContact O-C 3.53Å; L433-V540 VanDerWaalsContact O-CA 3.3Å; L433-V540 WeakPolarHBondContact O-CA 3.16Å; L433-E541 PolarHBondContact O-N 2.76Å; L433-V551 HydrophobicContact CD1-CG1 4.12Å |
| 434 | R | 78.9 | Confident | 80.2 | Confident | 171 Ų | 171 | 75.4 Ų | 75.4 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 116 | 169.9 | -67.6 | -178.4 | -178.4 | 146.4 | 5.1 | 108.9 | E541 | R434-E541 WeakPolarHBondContact CA-O 3.38Å; R434-E541 HydrophobicContact CG-CB 4.34Å; R434-E541 IonicContact NE-OE2 3.52Å; R434-E541 PolarHBondContact NE-OE2 2.8Å |
| 435 | I | 83.8 | Confident | 80.3 | Confident | 18 Ų | 18 | 71.8 Ų | 71.8 | 9% | 0.092 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.3 | -171.3 | -56.4 | -175.7 | 0 | 0 | 0 | 109.4 | L433 V540 E541 R543 M550 V551 | L433-I435 HydrophobicContact CB-CD1 4.19Å; L433-I435 HydrophobicContact CB-CG1 4.14Å; I435-V540 HydrophobicContact CB-CG1 4.29Å; I435-V540 HydrophobicContact CD1-CG1 3.48Å; I435-V540 VanDerWaalsContact CD1-CG1 3.48Å; I435-V540 HydrophobicContact CD1-CG2 4.35Å; I435-V540 HydrophobicContact CG1-CG1 3.84Å; I435-E541 PolarHBondContact N-O 3.37Å; I435-R543 PolarHBondContact O-N 2.9Å; I435-M550 VanDerWaalsContact CD1-O 3.26Å; I435-M550 WeakPolarHBondContact CD1-O 3.21Å; I435-V551 HydrophobicContact CD1-CB 4.11Å; I435-V551 HydrophobicContact CD1-CG1 4.22Å; I435-V551 HydrophobicContact CD1-CG2 3.81Å |
| 436 | H | 83.9 | Confident | 80.8 | Confident | 126 Ų | 126 | 72.6 Ų | 72.6 | 58% | 0.583 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136.5 | 170.2 | -63.1 | 86.9 | 0 | 0 | 0 | 108.8 | ||
| 437 | C | 88.3 | Confident | 80.9 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | trans | -73.2 | 150.6 | 177.2 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | I542 N546 W548 | C437-I542 WeakPolarHBondContact SG-CG2 3.45Å; C437-N546 WeakPolarHBondContact CB-O 3.42Å; C437-W548 VanDerWaalsContact CA-O 3.32Å; C437-W548 WeakPolarHBondContact CA-O 3.39Å | ||
| 438 | T | 89.8 | Confident | 80.4 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 27% | 0.27 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -120 | 143 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 110 | T440 G547 W548 M550 | T438-T440 PolarHBondContact O-N 3.43Å; T438-T440 PolarHBondContact OG1-O 2.86Å; T438-G547 CarbonylContact O-C 3.52Å; T438-G547 WeakPolarHBondContact O-CA 3.47Å; T438-W548 PolarHBondContact N-O 3.45Å; T438-W548 PolarHBondContact O-N 2.87Å; T438-W548 PolarHBondContact OG1-O 3.07Å; T438-M550 HydrophobicContact CG2-CE 4.01Å |
| 439 | P | 88.1 | Confident | 80.3 | Confident | 111 Ų | 111 | 73.9 Ų | 73.9 | 72% | 0.721 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -59.4 | -34 | -179.5 | -25.7 | 34.7 | 0 | 0 | 0 | 113.4 | ||
| 440 | T | 90.2 | Very high | 80.6 | Confident | 105 Ų | 105 | 79.1 Ų | 79.1 | 64% | 0.644 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -130.8 | 149.9 | -178.5 | 55 | 0 | 0 | 0 | 0 | 110.5 | T438 | T438-T440 PolarHBondContact O-N 3.43Å; T438-T440 PolarHBondContact OG1-O 2.86Å |
| 441 | L | 88.4 | Confident | 81.5 | Confident | 16 Ų | 16 | 77.7 Ų | 77.7 | 8% | 0.084 | 41% | 0.407 | C | S | . | . | trans | -63.8 | 137.6 | 168.6 | -70.7 | 168.5 | 0 | 0 | 0 | 110 | T446 C507 W548 M550 F589 | L441-T446 HydrophobicContact CB-CG2 3.71Å; L441-T446 HydrophobicContact CD1-CG2 4.24Å; L441-C507 HydrophobicContact CD2-CB 3.83Å; L441-W548 HydrophobicContact CD1-CD2 4.05Å; L441-W548 HydrophobicContact CD1-CE3 4.26Å; L441-W548 HydrophobicContact CD1-CH2 4.22Å; L441-W548 HydrophobicContact CD1-CZ2 4.02Å; L441-W548 HydrophobicContact CD1-CZ3 4.34Å; L441-W548 HydrophobicContact CD2-CB 3.97Å; L441-W548 HydrophobicContact CD2-CD2 3.7Å; L441-W548 HydrophobicContact CD2-CE3 3.86Å; L441-W548 HydrophobicContact CD2-CG 3.77Å; L441-W548 HydrophobicContact CG-CB 4.42Å; L441-W548 HydrophobicContact CG-CD2 3.63Å; L441-W548 HydrophobicContact CG-CE3 4.14Å; L441-W548 HydrophobicContact CG-CG 3.76Å; L441-W548 HydrophobicContact CG-CZ2 4.39Å; L441-M550 HydrophobicContact CD2-CG 4.09Å; L441-M550 HydrophobicContact CD2-SD 4.35Å; L441-F589 HydrophobicContact CD1-CE2 4.32Å; L441-F589 HydrophobicContact CD1-CZ 4.11Å | ||
| 442 | P | 81.9 | Confident | 82.6 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | trans | -54.6 | 145.2 | 175.5 | -26.7 | 33 | 0 | 0 | 0 | 112.2 | E444 L445 T446 M550 | P442-E444 PolarHBondContact O-N 3.12Å; P442-E444 VanDerWaalsContact O-N 3.16Å; P442-L445 PolarHBondContact O-N 2.88Å; P442-T446 PolarHBondContact O-N 2.84Å; P442-T446 PolarHBondContact O-OG1 2.71Å; P442-M550 WeakPolarHBondContact CD-SD 3.49Å; P442-M550 HydrophobicContact CG-CE 3.77Å; P442-M550 HydrophobicContact CG-SD 3.38Å; P442-M550 WeakPolarHBondContact CG-SD 3.34Å | ||
| 443 | E | 82.5 | Confident | 83.7 | Confident | 157 Ų | 157 | 78.9 Ų | 78.9 | 73% | 0.734 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -56.9 | -29.8 | 174 | -69.8 | -172 | 167.2 | 0 | 0 | 112 | L445 T446 N447 S448 | E443-L445 VanDerWaalsContact C-N 3.28Å; E443-L445 PolarHBondContact O-N 2.89Å; E443-T446 WeakPolarHBondContact CA-OG1 3.37Å; E443-T446 PolarHBondContact O-N 3.46Å; E443-N447 CarbonylContact O-C 3.56Å; E443-N447 WeakPolarHBondContact O-CA 3.44Å; E443-N447 PolarHBondContact O-N 2.81Å; E443-S448 PolarHBondContact O-N 2.74Å |
| 444 | E | 80.9 | Confident | 84.4 | Confident | 94 Ų | 94 | 76.3 Ų | 76.3 | 44% | 0.439 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.7 | -34.5 | 176.4 | -171.5 | 171.9 | -157.5 | 0 | 0 | 112.4 | P442 S448 K450 Y451 | P442-E444 PolarHBondContact O-N 3.12Å; P442-E444 VanDerWaalsContact O-N 3.16Å; E444-S448 WeakPolarHBondContact O-CB 3.33Å; E444-S448 PolarHBondContact O-OG 2.87Å; E444-K450 WeakPolarHBondContact OE1-CD 3.49Å; E444-K450 IonicContact OE1-NZ 3.86Å; E444-K450 PolarHBondContact OE1-NZ 3.32Å; E444-Y451 HydrophobicContact CG-CD2 4.27Å; E444-Y451 HydrophobicContact CG-CE2 4.04Å |
| 445 | L | 83.2 | Confident | 85 | Confident | 10 Ų | 10 | 68.2 Ų | 68.2 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -82.1 | -33.4 | 177.8 | -72.3 | 175.9 | 0 | 0 | 0 | 112.5 | P442 E443 Y451 H505 M550 F589 | P442-L445 PolarHBondContact O-N 2.88Å; E443-L445 VanDerWaalsContact C-N 3.28Å; E443-L445 PolarHBondContact O-N 2.89Å; L445-Y451 HydrophobicContact CD2-CD2 3.9Å; L445-Y451 HydrophobicContact CD2-CE2 4.38Å; L445-Y451 HydrophobicContact CD2-CG 4.05Å; L445-H505 HydrophobicContact CD2-CB 4.37Å; L445-M550 HydrophobicContact CD1-SD 4.1Å; L445-F589 HydrophobicContact CB-CD1 4.32Å; L445-F589 HydrophobicContact CB-CE1 4.12Å; L445-F589 HydrophobicContact CB-CE2 4.46Å; L445-F589 HydrophobicContact CB-CZ 4.19Å; L445-F589 HydrophobicContact CD1-CD2 4.49Å; L445-F589 HydrophobicContact CD2-CB 4.31Å; L445-F589 HydrophobicContact CD2-CD1 4.48Å; L445-F589 HydrophobicContact CD2-CD2 4.43Å; L445-F589 HydrophobicContact CD2-CG 4.16Å; L445-F589 WeakPolarHBondContact O-CD1 3.38Å; L445-F589 WeakPolarHBondContact O-CE1 3.35Å |
| 446 | T | 81.8 | Confident | 85.4 | Confident | 68 Ų | 68 | 73.9 Ų | 73.9 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -95.1 | -33.2 | -169.9 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | L441 P442 E443 | L441-T446 HydrophobicContact CB-CG2 3.71Å; L441-T446 HydrophobicContact CD1-CG2 4.24Å; P442-T446 PolarHBondContact O-N 2.84Å; P442-T446 PolarHBondContact O-OG1 2.71Å; E443-T446 WeakPolarHBondContact CA-OG1 3.37Å; E443-T446 PolarHBondContact O-N 3.46Å |
| 447 | N | 74.1 | Confident | 85.7 | Confident | 134 Ų | 134 | 71.7 Ų | 71.7 | 72% | 0.717 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -130.6 | 12.8 | -169.7 | -152.7 | 14.9 | 0 | 0 | 0 | 113.9 | E443 | E443-N447 CarbonylContact O-C 3.56Å; E443-N447 WeakPolarHBondContact O-CA 3.44Å; E443-N447 PolarHBondContact O-N 2.81Å |
| 448 | S | 70.6 | Confident | 86 | Confident | 21 Ų | 21 | 71.2 Ų | 71.2 | 15% | 0.147 | 38% | 0.378 | C | S | . | . | trans | -91.9 | 159.2 | 174.6 | 82.7 | 0 | 0 | 0 | 0 | 113.5 | E443 E444 K450 Y451 K592 | E443-S448 PolarHBondContact O-N 2.74Å; E444-S448 WeakPolarHBondContact O-CB 3.33Å; E444-S448 PolarHBondContact O-OG 2.87Å; S448-K450 PolarHBondContact O-N 2.84Å; S448-K450 WeakPolarHBondContact OG-CB 3.36Å; S448-K450 PolarHBondContact OG-N 3.13Å; S448-Y451 PolarHBondContact OG-N 3.38Å; S448-K592 PolarHBondContact O-NZ 2.96Å | ||
| 449 | D | 78.2 | Confident | 86.2 | Confident | 146 Ų | 146 | 75.8 Ų | 75.8 | 78% | 0.781 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -74.8 | -1.8 | 166.1 | -69 | -33.7 | 0 | 0 | 0 | 113.2 | K592 | D449-K592 WeakPolarHBondContact O-CB 3.47Š|
| 450 | K | 81.6 | Confident | 86.6 | Confident | 122 Ų | 122 | 71.8 Ų | 71.8 | 53% | 0.53 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -89.6 | -34.2 | -177 | -61.9 | -176 | -172.9 | 170.6 | 0 | 113.2 | E444 S448 P591 K592 | E444-K450 WeakPolarHBondContact OE1-CD 3.49Å; E444-K450 IonicContact OE1-NZ 3.86Å; E444-K450 PolarHBondContact OE1-NZ 3.32Å; S448-K450 PolarHBondContact O-N 2.84Å; S448-K450 WeakPolarHBondContact OG-CB 3.36Å; S448-K450 PolarHBondContact OG-N 3.13Å; K450-P591 CarbonylContact O-C 3.48Å; K450-P591 VanDerWaalsContact O-CA 3.28Å; K450-P591 WeakPolarHBondContact O-CA 3.24Å; K450-K592 PolarHBondContact O-N 3.12Å |
| 451 | Y | 88.6 | Confident | 86.9 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 21% | 0.212 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.7 | -173.1 | -56.2 | -72.2 | 0 | 0 | 0 | 112 | E444 L445 S448 S504 H505 G590 K592 | E444-Y451 HydrophobicContact CG-CD2 4.27Å; E444-Y451 HydrophobicContact CG-CE2 4.04Å; L445-Y451 HydrophobicContact CD2-CD2 3.9Å; L445-Y451 HydrophobicContact CD2-CE2 4.38Å; L445-Y451 HydrophobicContact CD2-CG 4.05Å; S448-Y451 PolarHBondContact OG-N 3.38Å; Y451-S504 WeakPolarHBondContact CD1-OG 3.47Å; Y451-H505 AromaticContact CE1-CE1 3.98Å; Y451-H505 AromaticContact CZ-CE1 3.93Å; Y451-G590 CarbonylContact C-O 3.58Å; Y451-G590 VanDerWaalsContact CA-O 3.28Å; Y451-G590 WeakPolarHBondContact CA-O 3.4Å; Y451-K592 WeakPolarHBondContact O-CD 3.32Å; Y451-K592 WeakPolarHBondContact O-CE 3.34Å; Y451-K592 WeakPolarHBondContact O-CG 3.39Å; Y451-K592 PolarHBondContact O-NZ 2.69Å |
| 452 | K | 91.3 | Very high | 87.2 | Confident | 78 Ų | 78 | 70.6 Ų | 70.6 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.4 | 167.6 | 55.6 | 162.8 | -167 | 146.2 | 0 | 109.6 | I454 D457 F589 G590 K592 | K452-I454 HydrophobicContact CD-CG2 3.97Å; K452-I454 VanDerWaalsContact CE-CG2 3.5Å; K452-I454 HydrophobicContact CG-CG2 3.82Å; K452-D457 IonicContact NZ-OD2 2.96Å; K452-D457 PolarHBondContact NZ-OD2 2.86Å; K452-F589 CarbonylContact O-C 3.59Å; K452-F589 VanDerWaalsContact O-CA 3.28Å; K452-F589 WeakPolarHBondContact O-CA 3.37Å; K452-G590 PolarHBondContact N-O 2.88Å; K452-G590 PolarHBondContact O-N 2.78Å; K452-K592 HydrophobicContact CB-CD 4.32Å; K452-K592 HydrophobicContact CB-CG 3.62Å; K452-K592 HydrophobicContact CG-CG 3.95Å |
| 453 | E | 92.6 | Very high | 87.8 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 24% | 0.238 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 135.3 | 164.1 | -145.2 | -71.8 | 154.6 | 0 | 0 | 108.2 | G455 R475 R587 I588 F589 | E453-G455 VanDerWaalsContact CD-N 3.28Å; E453-G455 PolarHBondContact OE1-N 3.34Å; E453-G455 WeakPolarHBondContact OE2-CA 3.31Å; E453-G455 PolarHBondContact OE2-N 3.18Å; E453-R475 IonicContact OE1-CZ 2.68Å; E453-R475 IonicContact OE1-NH1 3.85Å; E453-R475 PolarHBondContact OE1-NH1 3.02Å; E453-R475 IonicContact OE1-NH2 2.74Å; E453-R475 PolarHBondContact OE1-NH2 3.49Å; E453-R475 IonicContact OE2-NH2 3.42Å; E453-R475 PolarHBondContact OE2-NH2 2.93Å; E453-R475 VanDerWaalsContact OE2-NH2 3.15Å; E453-R587 HydrophobicContact CG-CB 4.38Å; E453-I588 CarbonylContact C-O 3.54Å; E453-I588 WeakPolarHBondContact CA-O 3.35Å; E453-I588 PolarHBondContact OE1-N 3.36Å; E453-F589 HydrophobicContact CB-CD1 4.36Å; E453-F589 HydrophobicContact CB-CE1 4.15Å; E453-F589 HydrophobicContact CG-CE1 4.18Å; E453-F589 HydrophobicContact CG-CZ 4.33Å |
| 454 | I | 93.3 | Very high | 88.3 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.015 | 34% | 0.34 | C | S | . | . | trans | -129.8 | 10.6 | -176.6 | 58.5 | 169.3 | 0 | 0 | 0 | 112 | K452 D456 D457 F497 T501 V503 I588 | K452-I454 HydrophobicContact CD-CG2 3.97Å; K452-I454 VanDerWaalsContact CE-CG2 3.5Å; K452-I454 HydrophobicContact CG-CG2 3.82Å; I454-D456 VanDerWaalsContact C-N 3.3Å; I454-D457 WeakPolarHBondContact O-CB 3.47Å; I454-D457 PolarHBondContact O-N 2.93Å; I454-F497 HydrophobicContact CD1-CE1 3.92Å; I454-F497 HydrophobicContact CD1-CZ 4.03Å; I454-F497 HydrophobicContact CG1-CE1 4.21Å; I454-F497 HydrophobicContact CG1-CZ 4.48Å; I454-T501 HydrophobicContact CD1-CG2 3.74Å; I454-V503 HydrophobicContact CD1-CB 4.49Å; I454-V503 HydrophobicContact CD1-CG1 4.5Å; I454-V503 HydrophobicContact CD1-CG2 3.97Å; I454-I588 HydrophobicContact CD1-CG2 4.02Å; I454-I588 HydrophobicContact CG1-CB 4.36Å; I454-I588 HydrophobicContact CG1-CG2 3.84Å; I454-I588 WeakPolarHBondContact CG1-O 2.97Å; I454-I588 PolarHBondContact N-O 3.13Å | ||
| 455 | G | 91.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -68 | -31.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E453 D457 A458 W460 | E453-G455 VanDerWaalsContact CD-N 3.28Å; E453-G455 PolarHBondContact OE1-N 3.34Å; E453-G455 WeakPolarHBondContact OE2-CA 3.31Å; E453-G455 PolarHBondContact OE2-N 3.18Å; G455-D457 VanDerWaalsContact C-N 3.26Å; G455-D457 PolarHBondContact O-N 2.75Å; G455-A458 PolarHBondContact O-N 3.42Å; G455-W460 PolarHBondContact O-NE1 3.2Å |
| 456 | D | 92.1 | Very high | 89.4 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 73% | 0.727 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -16.2 | 175.9 | -59.7 | -19.7 | 0 | 0 | 0 | 112.6 | I454 A458 R475 | I454-D456 VanDerWaalsContact C-N 3.3Å; D456-A458 PolarHBondContact O-N 3.09Å; D456-R475 IonicContact OD1-CZ 2.86Å; D456-R475 IonicContact OD1-NH2 2.72Å; D456-R475 PolarHBondContact OD1-NH2 3.46Å |
| 457 | D | 90.5 | Very high | 89.8 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 7.9 | 173.6 | -68.5 | -30 | 0 | 0 | 0 | 112 | K452 I454 G455 | K452-D457 IonicContact NZ-OD2 2.96Å; K452-D457 PolarHBondContact NZ-OD2 2.86Å; I454-D457 WeakPolarHBondContact O-CB 3.47Å; I454-D457 PolarHBondContact O-N 2.93Å; G455-D457 VanDerWaalsContact C-N 3.26Å; G455-D457 PolarHBondContact O-N 2.75Å |
| 458 | A | 94.1 | Very high | 90.7 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 11% | 0.107 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G455 D456 W460 I495 F496 F497 | G455-A458 PolarHBondContact O-N 3.42Å; D456-A458 PolarHBondContact O-N 3.09Å; A458-W460 VanDerWaalsContact O-CD1 3.25Å; A458-I495 HydrophobicContact CB-CG2 3.39Å; A458-F496 CarbonylContact C-O 3.56Å; A458-F496 VanDerWaalsContact CA-O 3.24Å; A458-F496 WeakPolarHBondContact CA-O 3.44Å; A458-F496 WeakPolarHBondContact CB-O 3.36Å; A458-F497 HydrophobicContact CB-CD1 3.75Å; A458-F497 HydrophobicContact CB-CE1 3.68Å; A458-F497 HydrophobicContact CB-CG 4.4Å; A458-F497 HydrophobicContact CB-CZ 4.25Å |
| 459 | E | 95.3 | Very high | 91.8 | Very high | 141 Ų | 141 | 68.4 Ų | 68.4 | 66% | 0.659 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137.2 | 170.8 | -68.6 | -65.7 | 165.6 | 0 | 0 | 110 | F496 | E459-F496 HydrophobicContact CB-CB 4.27Å; E459-F496 PolarHBondContact N-O 2.93Å; E459-F496 PolarHBondContact O-N 2.86Å |
| 460 | W | 96.7 | Very high | 92.6 | Very high | 27 Ų | 27 | 62 Ų | 62 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.2 | -173.7 | -65.7 | 70.3 | 0 | 0 | 0 | 111 | G455 A458 V471 L474 I493 N494 I495 V586 I588 | G455-W460 PolarHBondContact O-NE1 3.2Å; A458-W460 VanDerWaalsContact O-CD1 3.25Å; W460-V471 HydrophobicContact CB-CG1 3.66Å; W460-V471 HydrophobicContact CB-CG2 4.07Å; W460-V471 HydrophobicContact CG-CG1 4.28Å; W460-L474 HydrophobicContact CE3-CD2 4.11Å; W460-L474 HydrophobicContact CZ3-CD2 4.14Å; W460-I493 HydrophobicContact CE3-CG2 3.5Å; W460-I493 VanDerWaalsContact CE3-CG2 3.5Å; W460-I493 HydrophobicContact CZ3-CG2 3.65Å; W460-N494 CarbonylContact C-O 3.44Å; W460-N494 WeakPolarHBondContact CA-O 3.28Å; W460-I495 HydrophobicContact CD2-CG1 3.69Å; W460-I495 HydrophobicContact CD2-CG2 4.44Å; W460-I495 HydrophobicContact CE3-CD1 4.18Å; W460-I495 HydrophobicContact CE3-CG1 3.4Å; W460-I495 HydrophobicContact CH2-CD1 4.12Å; W460-I495 HydrophobicContact CH2-CG1 3.62Å; W460-I495 HydrophobicContact CZ2-CG1 3.88Å; W460-I495 HydrophobicContact CZ2-CG2 4.21Å; W460-I495 HydrophobicContact CZ3-CD1 3.77Å; W460-I495 HydrophobicContact CZ3-CG1 3.36Å; W460-V586 HydrophobicContact CH2-CB 4.21Å; W460-V586 HydrophobicContact CH2-CG1 3.74Å; W460-V586 HydrophobicContact CZ3-CB 4.1Å; W460-V586 HydrophobicContact CZ3-CG1 3.81Å; W460-I588 HydrophobicContact CH2-CD1 3.47Å; W460-I588 VanDerWaalsContact CH2-CD1 3.47Å; W460-I588 HydrophobicContact CH2-CG1 3.88Å; W460-I588 HydrophobicContact CZ2-CD1 3.79Å; W460-I588 HydrophobicContact CZ2-CG1 4.27Å; W460-I588 HydrophobicContact CZ3-CD1 4.3Å |
| 461 | V | 95.5 | Very high | 93.2 | Very high | 75 Ų | 75 | 58.4 Ų | 58.4 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 122.3 | 178.3 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | N494 F496 | V461-N494 HydrophobicContact CB-CB 4.36Å; V461-N494 PolarHBondContact N-O 3.16Å; V461-N494 WeakPolarHBondContact O-CB 3.31Å; V461-N494 PolarHBondContact O-N 2.92Å; V461-N494 PolarHBondContact O-ND2 2.92Å; V461-N494 VanDerWaalsContact O-ND2 3.13Å; V461-F496 HydrophobicContact CB-CE2 3.96Å; V461-F496 HydrophobicContact CG2-CD2 4.06Å; V461-F496 HydrophobicContact CG2-CE2 3.7Å |
| 462 | L | 95.5 | Very high | 93.4 | Very high | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 147.2 | 175.7 | -55.9 | 170.3 | 0 | 0 | 0 | 109.4 | T464 C465 V471 L474 W483 T492 I493 | L462-T464 VanDerWaalsContact C-N 3.3Å; L462-T464 PolarHBondContact O-N 3.2Å; L462-C465 HydrophobicContact CD1-CB 4.31Å; L462-V471 HydrophobicContact CD1-CB 4.42Å; L462-V471 HydrophobicContact CD1-CG2 3.64Å; L462-V471 HydrophobicContact CD2-CG2 4.37Å; L462-V471 HydrophobicContact CG-CG2 3.63Å; L462-L474 HydrophobicContact CD2-CD2 4.11Å; L462-W483 HydrophobicContact CB-CZ2 4.31Å; L462-W483 HydrophobicContact CD1-CD2 4.34Å; L462-W483 HydrophobicContact CD1-CG 3.96Å; L462-W483 HydrophobicContact CD2-CD2 3.98Å; L462-W483 HydrophobicContact CD2-CE3 4.32Å; L462-W483 HydrophobicContact CD2-CG 4.36Å; L462-W483 HydrophobicContact CD2-CZ2 4.19Å; L462-T492 CarbonylContact C-O 3.53Å; L462-T492 WeakPolarHBondContact CA-O 3.28Å; L462-I493 HydrophobicContact CD2-CB 4.19Å; L462-I493 HydrophobicContact CD2-CG1 3.82Å; L462-I493 HydrophobicContact CD2-CG2 3.96Å |
| 463 | S | 93.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 61 Ų | 61 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -57.7 | -47.2 | 174 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | T492 | S463-T492 WeakPolarHBondContact CB-OG1 3.29Å; S463-T492 PolarHBondContact N-O 3.29Å; S463-T492 PolarHBondContact OG-N 3.15Å |
| 464 | T | 93.8 | Very high | 93.5 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | trans | -156.1 | 157 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | L462 W483 D486 | L462-T464 VanDerWaalsContact C-N 3.3Å; L462-T464 PolarHBondContact O-N 3.2Å; T464-W483 PolarHBondContact O-NE1 2.76Å; T464-D486 WeakPolarHBondContact CB-O 3.07Å; T464-D486 WeakPolarHBondContact CG2-O 3.19Å; T464-D486 PolarHBondContact OG1-N 2.95Å; T464-D486 PolarHBondContact OG1-O 2.64Å | ||
| 465 | C | 93.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 41% | 0.405 | 34% | 0.34 | S | S | . | . | trans | -153 | 145.4 | 171.6 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | L462 Y469 Q484 | L462-C465 HydrophobicContact CD1-CB 4.31Å; C465-Y469 WeakPolarHBondContact CB-O 3.28Å; C465-Q484 VanDerWaalsContact CA-O 3.26Å; C465-Q484 WeakPolarHBondContact CA-O 3.37Å | ||
| 466 | K | 92.6 | Very high | 93.6 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | trans | -68.7 | 149.4 | 167.6 | -67.9 | -168.5 | -174 | 159.8 | 0 | 109.9 | G468 Y469 Q484 D486 D580 | K466-G468 PolarHBondContact O-N 2.79Å; K466-Y469 HydrophobicContact CB-CD2 4Å; K466-Y469 PolarHBondContact O-N 2.8Å; K466-Q484 HydrophobicContact CD-CG 4.07Å; K466-Q484 HydrophobicContact CG-CG 4.28Å; K466-Q484 PolarHBondContact N-O 3.28Å; K466-D486 HydrophobicContact CG-CB 3.84Å; K466-D580 IonicContact NZ-OD2 3.25Å; K466-D580 PolarHBondContact NZ-OD2 2.8Å | ||
| 467 | P | 91.4 | Very high | 93.5 | Very high | 121 Ų | 121 | 58.7 Ų | 58.7 | 79% | 0.786 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 125.2 | 178.1 | -26.4 | 34.5 | 0 | 0 | 0 | 111.7 | Y469 | P467-Y469 WeakPolarHBondContact O-CD2 3.45Š|
| 468 | G | 92.5 | Very high | 93.5 | Very high | 60 Ų | 60 | 61 Ų | 61 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -1.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K466 Q473 | K466-G468 PolarHBondContact O-N 2.79Å; G468-Q473 PolarHBondContact O-NE2 3.44Å; G468-Q473 PolarHBondContact O-OE1 3.45Å |
| 469 | Y | 94.1 | Very high | 93.5 | Very high | 87 Ų | 87 | 64.6 Ų | 64.6 | 34% | 0.341 | 36% | 0.356 | S | S | . | . | trans | -120.1 | 51.5 | 179.5 | -60.4 | -89.9 | 0 | 0 | 0 | 110.8 | C465 K466 P467 Y482 W483 Q484 | C465-Y469 WeakPolarHBondContact CB-O 3.28Å; K466-Y469 HydrophobicContact CB-CD2 4Å; K466-Y469 PolarHBondContact O-N 2.8Å; P467-Y469 WeakPolarHBondContact O-CD2 3.45Å; Y469-Y482 AromaticContact CD1-CD2 3.9Å; Y469-Y482 HydrophobicContact CD1-CD2 3.9Å; Y469-Y482 AromaticContact CD1-CE2 3.58Å; Y469-Y482 HydrophobicContact CD1-CE2 3.58Å; Y469-Y482 WeakPolarHBondContact CD1-O 3.3Å; Y469-Y482 HydrophobicContact CE1-CD2 4.33Å; Y469-Y482 HydrophobicContact CE1-CE1 4.25Å; Y469-Y482 AromaticContact CE1-CE2 3.63Å; Y469-Y482 HydrophobicContact CE1-CE2 3.63Å; Y469-Y482 AromaticContact CE1-CZ 3.58Å; Y469-W483 WeakPolarHBondContact O-CA 3.35Å; Y469-Q484 HydrophobicContact CD1-CB 4.37Å; Y469-Q484 HydrophobicContact CG-CB 4.06Å; Y469-Q484 PolarHBondContact O-N 3.29Å | ||
| 470 | G | 94.2 | Very high | 93.3 | Very high | 12 Ų | 12 | 64.8 Ų | 64.8 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -99.3 | -155.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q472 Q473 L474 | G470-Q472 PolarHBondContact O-N 3.46Å; G470-Q473 PolarHBondContact O-N 2.97Å; G470-Q473 PolarHBondContact O-OE1 2.81Å; G470-L474 PolarHBondContact O-N 3.17Å |
| 471 | V | 93.9 | Very high | 93.1 | Very high | 47 Ų | 47 | 65.2 Ų | 65.2 | 29% | 0.285 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.9 | -34.8 | 179 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | W460 L462 Q473 L474 R475 | W460-V471 HydrophobicContact CB-CG1 3.66Å; W460-V471 HydrophobicContact CB-CG2 4.07Å; W460-V471 HydrophobicContact CG-CG1 4.28Å; L462-V471 HydrophobicContact CD1-CB 4.42Å; L462-V471 HydrophobicContact CD1-CG2 3.64Å; L462-V471 HydrophobicContact CD2-CG2 4.37Å; L462-V471 HydrophobicContact CG-CG2 3.63Å; V471-Q473 VanDerWaalsContact C-N 3.32Å; V471-Q473 PolarHBondContact O-N 2.95Å; V471-L474 WeakPolarHBondContact O-CB 3.47Å; V471-L474 PolarHBondContact O-N 2.75Å; V471-L474 VanDerWaalsContact O-N 3.12Å; V471-R475 HydrophobicContact CG1-CG 4.49Å; V471-R475 PolarHBondContact O-N 3.39Å |
| 472 | Q | 92.9 | Very high | 93.1 | Very high | 151 Ų | 151 | 63.9 Ų | 63.9 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.8 | -45.5 | -179.7 | -171.9 | 177.6 | 13.4 | 0 | 0 | 111.4 | G470 L474 R475 D476 | G470-Q472 PolarHBondContact O-N 3.46Å; Q472-L474 VanDerWaalsContact C-N 3.31Å; Q472-L474 PolarHBondContact O-N 2.71Å; Q472-R475 PolarHBondContact O-N 2.78Å; Q472-D476 VanDerWaalsContact O-CB 3.31Å; Q472-D476 WeakPolarHBondContact O-CB 3.33Å; Q472-D476 PolarHBondContact O-N 3.34Å |
| 473 | Q | 94.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 62.9 Ų | 62.9 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.3 | -29.4 | 178.9 | -71.5 | 66.2 | 37.7 | 0 | 0 | 112.1 | G468 G470 V471 R475 Y482 Q585 | G468-Q473 PolarHBondContact O-NE2 3.44Å; G468-Q473 PolarHBondContact O-OE1 3.45Å; G470-Q473 PolarHBondContact O-N 2.97Å; G470-Q473 PolarHBondContact O-OE1 2.81Å; V471-Q473 VanDerWaalsContact C-N 3.32Å; V471-Q473 PolarHBondContact O-N 2.95Å; Q473-R475 PolarHBondContact O-N 2.98Å; Q473-Y482 VanDerWaalsContact CB-O 3.28Å; Q473-Y482 WeakPolarHBondContact CB-O 3.33Å; Q473-Q585 PolarHBondContact O-NE2 2.79Å |
| 474 | L | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.1 | -20 | 177 | -166.2 | 72.1 | 0 | 0 | 0 | 113.4 | W460 L462 G470 V471 Q472 W483 I493 V583 Q585 V586 | W460-L474 HydrophobicContact CE3-CD2 4.11Å; W460-L474 HydrophobicContact CZ3-CD2 4.14Å; L462-L474 HydrophobicContact CD2-CD2 4.11Å; G470-L474 PolarHBondContact O-N 3.17Å; V471-L474 WeakPolarHBondContact O-CB 3.47Å; V471-L474 PolarHBondContact O-N 2.75Å; V471-L474 VanDerWaalsContact O-N 3.12Å; Q472-L474 VanDerWaalsContact C-N 3.31Å; Q472-L474 PolarHBondContact O-N 2.71Å; L474-W483 HydrophobicContact CB-CB 4.37Å; L474-W483 HydrophobicContact CD1-CB 3.91Å; L474-W483 HydrophobicContact CD1-CE3 4.44Å; L474-I493 HydrophobicContact CD1-CD1 4.28Å; L474-I493 HydrophobicContact CD2-CD1 3.94Å; L474-I493 HydrophobicContact CD2-CG1 4.38Å; L474-I493 HydrophobicContact CD2-CG2 3.82Å; L474-V583 HydrophobicContact CD1-CB 3.72Å; L474-V583 HydrophobicContact CD1-CG1 3.53Å; L474-Q585 WeakPolarHBondContact O-CA 3.24Å; L474-Q585 PolarHBondContact O-OE1 3.13Å; L474-V586 HydrophobicContact CD1-CB 4.39Å; L474-V586 HydrophobicContact CD1-CG2 3.65Å; L474-V586 HydrophobicContact CD2-CB 4.29Å; L474-V586 HydrophobicContact CD2-CG2 4.11Å; L474-V586 HydrophobicContact CG-CB 4.15Å; L474-V586 HydrophobicContact CG-CG2 3.93Å; L474-V586 PolarHBondContact O-N 2.95Å; L474-V586 VanDerWaalsContact O-N 3.1Å |
| 475 | R | 93.2 | Very high | 93.2 | Very high | 52 Ų | 52 | 59 Ų | 59 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -127.7 | -2.4 | -167.5 | -69.7 | -67.6 | -60.7 | 176.7 | -2.7 | 114.6 | E453 D456 V471 Q472 Q473 G477 V586 | E453-R475 IonicContact OE1-CZ 2.68Å; E453-R475 IonicContact OE1-NH1 3.85Å; E453-R475 PolarHBondContact OE1-NH1 3.02Å; E453-R475 IonicContact OE1-NH2 2.74Å; E453-R475 PolarHBondContact OE1-NH2 3.49Å; E453-R475 IonicContact OE2-NH2 3.42Å; E453-R475 PolarHBondContact OE2-NH2 2.93Å; E453-R475 VanDerWaalsContact OE2-NH2 3.15Å; D456-R475 IonicContact OD1-CZ 2.86Å; D456-R475 IonicContact OD1-NH2 2.72Å; D456-R475 PolarHBondContact OD1-NH2 3.46Å; V471-R475 HydrophobicContact CG1-CG 4.49Å; V471-R475 PolarHBondContact O-N 3.39Å; Q472-R475 PolarHBondContact O-N 2.78Å; Q473-R475 PolarHBondContact O-N 2.98Å; R475-G477 PolarHBondContact O-N 3.48Å; R475-V586 WeakPolarHBondContact CD-O 3.44Å; R475-V586 PolarHBondContact NH1-O 2.82Å |
| 476 | D | 92.3 | Very high | 93 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -73.3 | -3.5 | -176.1 | 66.3 | 6.6 | 0 | 0 | 0 | 114.9 | Q472 K478 T481 Q585 | Q472-D476 VanDerWaalsContact O-CB 3.31Å; Q472-D476 WeakPolarHBondContact O-CB 3.33Å; Q472-D476 PolarHBondContact O-N 3.34Å; D476-K478 VanDerWaalsContact C-N 3.26Å; D476-K478 PolarHBondContact O-N 3.24Å; D476-K478 PolarHBondContact OD1-N 3.17Å; D476-T481 VanDerWaalsContact CG-OG1 3.22Å; D476-T481 PolarHBondContact OD1-OG1 2.79Å; D476-T481 WeakPolarHBondContact OD2-CB 3.17Å; D476-T481 WeakPolarHBondContact OD2-CG2 3.31Å; D476-T481 PolarHBondContact OD2-OG1 2.93Å; D476-Q585 PolarHBondContact OD1-NE2 3.39Å |
| 477 | G | 90.5 | Very high | 92.7 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 74.5 | 7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R475 Q585 | R475-G477 PolarHBondContact O-N 3.48Å; G477-Q585 VanDerWaalsContact CA-OE1 3.28Å |
| 478 | K | 92.1 | Very high | 92.4 | Very high | 129 Ų | 129 | 57.9 Ų | 57.9 | 56% | 0.561 | 32% | 0.323 | S | S | * | . | trans | -99.6 | 140.4 | 179.6 | -61.2 | 176.9 | -177.5 | 177.1 | 0 | 110.4 | D476 T481 Q585 | D476-K478 VanDerWaalsContact C-N 3.26Å; D476-K478 PolarHBondContact O-N 3.24Å; D476-K478 PolarHBondContact OD1-N 3.17Å; K478-T481 PolarHBondContact O-OG1 2.94Å; K478-Q585 PolarHBondContact O-NE2 3.36Å | ||
| 479 | F | 92.1 | Very high | 92.1 | Very high | 90 Ų | 90 | 58.3 Ų | 58.3 | 40% | 0.395 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -86.9 | -12.2 | 177.7 | -59.9 | -58.2 | 0 | 0 | 0 | 113.1 | F509 W548 R584 Q585 | F479-F509 AromaticContact CD1-CD1 3.86Å; F479-F509 HydrophobicContact CD1-CD1 3.86Å; F479-F509 HydrophobicContact CD1-CD2 4.02Å; F479-F509 AromaticContact CD1-CE1 3.81Å; F479-F509 HydrophobicContact CD1-CE1 3.81Å; F479-F509 AromaticContact CD1-CE2 3.96Å; F479-F509 HydrophobicContact CD1-CE2 3.96Å; F479-F509 AromaticContact CD1-CG 3.94Å; F479-F509 HydrophobicContact CD1-CG 3.94Å; F479-F509 AromaticContact CD1-CZ 3.85Å; F479-F509 HydrophobicContact CD1-CZ 3.85Å; F479-F509 HydrophobicContact CE1-CD1 4.33Å; F479-F509 AromaticContact CE1-CD2 3.67Å; F479-F509 HydrophobicContact CE1-CD2 3.67Å; F479-F509 HydrophobicContact CE1-CE1 4.41Å; F479-F509 AromaticContact CE1-CE2 3.76Å; F479-F509 HydrophobicContact CE1-CE2 3.76Å; F479-F509 AromaticContact CE1-CG 3.94Å; F479-F509 HydrophobicContact CE1-CG 3.94Å; F479-F509 HydrophobicContact CE1-CZ 4.13Å; F479-F509 HydrophobicContact CG-CE1 4.35Å; F479-F509 HydrophobicContact CG-CZ 4.29Å; F479-F509 HydrophobicContact CZ-CE2 4.32Å; F479-W548 AromaticContact CE1-CZ2 3.84Å; F479-W548 HydrophobicContact CE1-CZ2 3.84Å; F479-W548 HydrophobicContact CZ-CZ2 4.25Å; F479-R584 WeakPolarHBondContact O-CD 3.38Å; F479-R584 PolarHBondContact O-NH1 3.33Å; F479-Q585 HydrophobicContact CD1-CG 4.17Å; F479-Q585 HydrophobicContact CE1-CG 4.23Å |
| 480 | D | 91.7 | Very high | 92 | Very high | 144 Ų | 144 | 57.2 Ų | 57.2 | 77% | 0.77 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -86 | -15.8 | -179.6 | -57 | -35 | 0 | 0 | 0 | 113 | ||
| 481 | T | 93.6 | Very high | 92 | Very high | 37 Ų | 37 | 56.7 Ų | 56.7 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | trans | -100.8 | 156.5 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | D476 K478 R584 | D476-T481 VanDerWaalsContact CG-OG1 3.22Å; D476-T481 PolarHBondContact OD1-OG1 2.79Å; D476-T481 WeakPolarHBondContact OD2-CB 3.17Å; D476-T481 WeakPolarHBondContact OD2-CG2 3.31Å; D476-T481 PolarHBondContact OD2-OG1 2.93Å; K478-T481 PolarHBondContact O-OG1 2.94Å; T481-R584 WeakPolarHBondContact O-CA 3.45Å | ||
| 482 | Y | 94.8 | Very high | 92.1 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 18% | 0.18 | 30% | 0.298 | C | S | . | . | trans | -153.4 | 154.1 | -179.6 | 52.3 | -88.7 | 0 | 0 | 0 | 112.1 | Y469 Q473 Q484 H582 V583 | Y469-Y482 AromaticContact CD1-CD2 3.9Å; Y469-Y482 HydrophobicContact CD1-CD2 3.9Å; Y469-Y482 AromaticContact CD1-CE2 3.58Å; Y469-Y482 HydrophobicContact CD1-CE2 3.58Å; Y469-Y482 WeakPolarHBondContact CD1-O 3.3Å; Y469-Y482 HydrophobicContact CE1-CD2 4.33Å; Y469-Y482 HydrophobicContact CE1-CE1 4.25Å; Y469-Y482 AromaticContact CE1-CE2 3.63Å; Y469-Y482 HydrophobicContact CE1-CE2 3.63Å; Y469-Y482 AromaticContact CE1-CZ 3.58Å; Q473-Y482 VanDerWaalsContact CB-O 3.28Å; Q473-Y482 WeakPolarHBondContact CB-O 3.33Å; Y482-Q484 HydrophobicContact CD2-CB 4.08Å; Y482-Q484 HydrophobicContact CE2-CB 3.98Å; Y482-H582 HydrophobicContact CD2-CB 4.19Å; Y482-H582 AromaticContact CD2-CD2 3.78Å; Y482-H582 AromaticContact CD2-CG 3.72Å; Y482-H582 AromaticContact CD2-ND1 3.93Å; Y482-H582 AromaticContact CE2-CD2 3.76Å; Y482-H582 AromaticContact CE2-CE1 3.52Å; Y482-H582 AromaticContact CE2-CG 3.91Å; Y482-H582 AromaticContact CE2-ND1 3.76Å; Y482-H582 AromaticContact CE2-NE2 3.52Å; Y482-H582 HydrophobicContact CG-CB 4.49Å; Y482-H582 AromaticContact CZ-CE1 3.87Å; Y482-V583 WeakPolarHBondContact CA-O 3.5Å | ||
| 483 | W | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133.5 | 157.7 | 166 | 43.7 | 0 | 0 | 0 | 109 | L462 T464 Y469 L474 H491 I493 I571 H582 V583 | L462-W483 HydrophobicContact CB-CZ2 4.31Å; L462-W483 HydrophobicContact CD1-CD2 4.34Å; L462-W483 HydrophobicContact CD1-CG 3.96Å; L462-W483 HydrophobicContact CD2-CD2 3.98Å; L462-W483 HydrophobicContact CD2-CE3 4.32Å; L462-W483 HydrophobicContact CD2-CG 4.36Å; L462-W483 HydrophobicContact CD2-CZ2 4.19Å; T464-W483 PolarHBondContact O-NE1 2.76Å; Y469-W483 WeakPolarHBondContact O-CA 3.35Å; L474-W483 HydrophobicContact CB-CB 4.37Å; L474-W483 HydrophobicContact CD1-CB 3.91Å; L474-W483 HydrophobicContact CD1-CE3 4.44Å; W483-H491 HydrophobicContact CH2-CB 3.69Å; W483-H491 HydrophobicContact CZ2-CB 4.13Å; W483-I493 HydrophobicContact CE3-CD1 3.74Å; W483-I493 HydrophobicContact CE3-CG1 3.77Å; W483-I493 HydrophobicContact CH2-CD1 4.42Å; W483-I493 HydrophobicContact CH2-CG1 3.7Å; W483-I493 HydrophobicContact CZ3-CD1 3.48Å; W483-I493 VanDerWaalsContact CZ3-CD1 3.48Å; W483-I493 HydrophobicContact CZ3-CG1 3.23Å; W483-I571 HydrophobicContact CH2-CD1 4.23Å; W483-I571 HydrophobicContact CZ3-CD1 3.67Å; W483-H582 VanDerWaalsContact O-CA 3.32Å; W483-H582 WeakPolarHBondContact O-CA 3.38Å; W483-V583 HydrophobicContact CE3-CB 3.97Å; W483-V583 HydrophobicContact CE3-CG2 3.76Å; W483-V583 HydrophobicContact CZ3-CG2 4.02Å; W483-V583 PolarHBondContact N-O 3.24Å; W483-V583 PolarHBondContact O-N 2.81Å; W483-V583 VanDerWaalsContact O-N 3.07Å |
| 484 | Q | 94.8 | Very high | 92.5 | Very high | 20 Ų | 20 | 47 Ų | 47 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117.7 | 168.6 | -177.2 | 168 | 13.8 | 0 | 0 | 109.3 | C465 K466 Y469 Y482 S581 H582 | C465-Q484 VanDerWaalsContact CA-O 3.26Å; C465-Q484 WeakPolarHBondContact CA-O 3.37Å; K466-Q484 HydrophobicContact CD-CG 4.07Å; K466-Q484 HydrophobicContact CG-CG 4.28Å; K466-Q484 PolarHBondContact N-O 3.28Å; Y469-Q484 HydrophobicContact CD1-CB 4.37Å; Y469-Q484 HydrophobicContact CG-CB 4.06Å; Y469-Q484 PolarHBondContact O-N 3.29Å; Y482-Q484 HydrophobicContact CD2-CB 4.08Å; Y482-Q484 HydrophobicContact CE2-CB 3.98Å; Q484-S581 WeakPolarHBondContact CA-O 3.33Å; Q484-H582 PolarHBondContact NE2-NE2 2.67Å |
| 485 | S | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -67 | 158.3 | 173.3 | 68.8 | 0 | 0 | 0 | 0 | 111.7 | H491 D580 S581 | S485-H491 PolarHBondContact OG-CE1 3.13Å; S485-H491 PolarHBondContact OG-ND1 3.28Å; S485-H491 PolarHBondContact OG-NE2 3.17Å; S485-D580 WeakPolarHBondContact OG-CA 3.5Å; S485-S581 PolarHBondContact N-O 2.8Å; S485-S581 VanDerWaalsContact N-O 3.17Å; S485-S581 PolarHBondContact OG-N 3Å | ||
| 486 | D | 89.6 | Confident | 92.8 | Very high | 84 Ų | 84 | 47.2 Ų | 47.2 | 45% | 0.449 | 26% | 0.262 | S | S | . | . | trans | -140.7 | 88 | 175 | -169.9 | 11.4 | 0 | 0 | 0 | 109.3 | T464 K466 | T464-D486 WeakPolarHBondContact CB-O 3.07Å; T464-D486 WeakPolarHBondContact CG2-O 3.19Å; T464-D486 PolarHBondContact OG1-N 2.95Å; T464-D486 PolarHBondContact OG1-O 2.64Å; K466-D486 HydrophobicContact CG-CB 3.84Å | ||
| 487 | G | 85 | Confident | 93 | Very high | 25 Ų | 25 | 45 Ų | 45 | 26% | 0.258 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 164.8 | -167.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H491 | G487-H491 PolarHBondContact O-NE2 3.18Š|
| 488 | S | 86.9 | Confident | 93.1 | Very high | 107 Ų | 107 | 49.5 Ų | 49.5 | 75% | 0.748 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -90 | 144.5 | 173 | 55.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 489 | Q | 85.7 | Confident | 93.1 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -61.1 | 150.2 | 169 | -73.5 | 172.9 | -12.5 | 0 | 0 | 111.6 | V572 N574 G578 | Q489-V572 PolarHBondContact OE1-O 2.5Å; Q489-N574 PolarHBondContact NE2-ND2 3.18Å; Q489-G578 PolarHBondContact NE2-O 2.88Å |
| 490 | P | 91.8 | Very high | 93 | Very high | 65 Ų | 65 | 53 Ų | 53 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | cis | -78.6 | 133.2 | 2.2 | 31.1 | -33.8 | 0 | 0 | 0 | 113.1 | A570 I571 | P490-A570 HydrophobicContact CB-CB 4.28Å; P490-I571 WeakPolarHBondContact CA-O 3.31Å; P490-I571 WeakPolarHBondContact CB-O 3.36Å |
| 491 | H | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 130.2 | 171.6 | -49.9 | 136.3 | 0 | 0 | 0 | 109 | W483 S485 G487 I571 R579 S581 | W483-H491 HydrophobicContact CH2-CB 3.69Å; W483-H491 HydrophobicContact CZ2-CB 4.13Å; S485-H491 PolarHBondContact OG-CE1 3.13Å; S485-H491 PolarHBondContact OG-ND1 3.28Å; S485-H491 PolarHBondContact OG-NE2 3.17Å; G487-H491 PolarHBondContact O-NE2 3.18Å; H491-I571 HydrophobicContact CB-CB 4.41Å; H491-I571 HydrophobicContact CB-CD1 4.47Å; H491-I571 PolarHBondContact N-O 2.85Å; H491-I571 PolarHBondContact O-N 2.74Å; H491-R579 PolarHBondContact CE1-O 3.01Å; H491-S581 WeakPolarHBondContact ND1-CB 3.33Å; H491-S581 PolarHBondContact ND1-OG 3.23Å |
| 492 | T | 96.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139 | -171.2 | 66.2 | 0 | 0 | 0 | 0 | 112.8 | L462 S463 N494 Q568 I569 A570 | L462-T492 CarbonylContact C-O 3.53Å; L462-T492 WeakPolarHBondContact CA-O 3.28Å; S463-T492 WeakPolarHBondContact CB-OG1 3.29Å; S463-T492 PolarHBondContact N-O 3.29Å; S463-T492 PolarHBondContact OG-N 3.15Å; T492-N494 PolarHBondContact OG1-ND2 3.48Å; T492-Q568 HydrophobicContact CG2-CG 4.19Å; T492-I569 CarbonylContact C-O 3.58Å; T492-I569 WeakPolarHBondContact CA-O 3.49Å; T492-A570 HydrophobicContact CG2-CB 4.06Å |
| 493 | I | 97.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 111.7 | 166.6 | -51.1 | 169.2 | 0 | 0 | 0 | 106.2 | W460 L462 L474 W483 I495 Q568 I569 V586 | W460-I493 HydrophobicContact CE3-CG2 3.5Å; W460-I493 VanDerWaalsContact CE3-CG2 3.5Å; W460-I493 HydrophobicContact CZ3-CG2 3.65Å; L462-I493 HydrophobicContact CD2-CB 4.19Å; L462-I493 HydrophobicContact CD2-CG1 3.82Å; L462-I493 HydrophobicContact CD2-CG2 3.96Å; L474-I493 HydrophobicContact CD1-CD1 4.28Å; L474-I493 HydrophobicContact CD2-CD1 3.94Å; L474-I493 HydrophobicContact CD2-CG1 4.38Å; L474-I493 HydrophobicContact CD2-CG2 3.82Å; W483-I493 HydrophobicContact CE3-CD1 3.74Å; W483-I493 HydrophobicContact CE3-CG1 3.77Å; W483-I493 HydrophobicContact CH2-CD1 4.42Å; W483-I493 HydrophobicContact CH2-CG1 3.7Å; W483-I493 HydrophobicContact CZ3-CD1 3.48Å; W483-I493 VanDerWaalsContact CZ3-CD1 3.48Å; W483-I493 HydrophobicContact CZ3-CG1 3.23Å; I493-I495 HydrophobicContact CG2-CD1 4.25Å; I493-Q568 CarbonylContact O-C 3.54Å; I493-Q568 WeakPolarHBondContact O-CA 3.46Å; I493-I569 HydrophobicContact CB-CB 4.19Å; I493-I569 HydrophobicContact CD1-CD1 4.45Å; I493-I569 PolarHBondContact N-O 3.05Å; I493-I569 PolarHBondContact O-N 2.86Å; I493-V586 HydrophobicContact CD1-CG2 3.97Å |
| 494 | N | 97 | Very high | 92.5 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.1 | -178.4 | -55 | -72.2 | 0 | 0 | 0 | 109.2 | W460 V461 T492 F496 L531 Q568 | W460-N494 CarbonylContact C-O 3.44Å; W460-N494 WeakPolarHBondContact CA-O 3.28Å; V461-N494 HydrophobicContact CB-CB 4.36Å; V461-N494 PolarHBondContact N-O 3.16Å; V461-N494 WeakPolarHBondContact O-CB 3.31Å; V461-N494 PolarHBondContact O-N 2.92Å; V461-N494 PolarHBondContact O-ND2 2.92Å; V461-N494 VanDerWaalsContact O-ND2 3.13Å; T492-N494 PolarHBondContact OG1-ND2 3.48Å; N494-F496 HydrophobicContact CB-CD2 4.31Å; N494-F496 HydrophobicContact CB-CE2 3.5Å; N494-F496 HydrophobicContact CB-CZ 3.96Å; N494-L531 HydrophobicContact CB-CD2 4.25Å; N494-L531 WeakPolarHBondContact OD1-CD2 3.31Å; N494-Q568 VanDerWaalsContact OD1-CG 3.27Å; N494-Q568 WeakPolarHBondContact OD1-CG 3.45Å; N494-Q568 PolarHBondContact OD1-NE2 2.87Å |
| 495 | I | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115.2 | 180 | -55.7 | 107.6 | 0 | 0 | 0 | 108.4 | A458 W460 I493 F497 V566 I567 I569 I588 | A458-I495 HydrophobicContact CB-CG2 3.39Å; W460-I495 HydrophobicContact CD2-CG1 3.69Å; W460-I495 HydrophobicContact CD2-CG2 4.44Å; W460-I495 HydrophobicContact CE3-CD1 4.18Å; W460-I495 HydrophobicContact CE3-CG1 3.4Å; W460-I495 HydrophobicContact CH2-CD1 4.12Å; W460-I495 HydrophobicContact CH2-CG1 3.62Å; W460-I495 HydrophobicContact CZ2-CG1 3.88Å; W460-I495 HydrophobicContact CZ2-CG2 4.21Å; W460-I495 HydrophobicContact CZ3-CD1 3.77Å; W460-I495 HydrophobicContact CZ3-CG1 3.36Å; I493-I495 HydrophobicContact CG2-CD1 4.25Å; I495-F497 HydrophobicContact CG2-CE1 4.37Å; I495-F497 HydrophobicContact CG2-CE2 3.87Å; I495-F497 HydrophobicContact CG2-CZ 3.76Å; I495-V566 CarbonylContact O-C 3.53Å; I495-V566 WeakPolarHBondContact O-CA 3.49Å; I495-I567 HydrophobicContact CB-CB 4.43Å; I495-I567 HydrophobicContact CD1-CB 4.38Å; I495-I567 HydrophobicContact CD1-CG2 4.2Å; I495-I567 WeakPolarHBondContact CD1-O 3.34Å; I495-I567 PolarHBondContact N-O 3.45Å; I495-I567 PolarHBondContact O-N 3.05Å; I495-I569 HydrophobicContact CD1-CD1 4.14Å; I495-I569 HydrophobicContact CD1-CG1 4.18Å; I495-I588 HydrophobicContact CB-CD1 4.01Å; I495-I588 HydrophobicContact CD1-CD1 3.39Å; I495-I588 HydrophobicContact CG1-CD1 3.49Å; I495-I588 VanDerWaalsContact CG1-CD1 3.49Å; I495-I588 HydrophobicContact CG2-CD1 3.85Å |
| 496 | F | 96.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 48 Ų | 48 | 25% | 0.25 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123 | -177.5 | -62.9 | -92.3 | 0 | 0 | 0 | 110.5 | A458 E459 V461 N494 L531 V566 | A458-F496 CarbonylContact C-O 3.56Å; A458-F496 VanDerWaalsContact CA-O 3.24Å; A458-F496 WeakPolarHBondContact CA-O 3.44Å; A458-F496 WeakPolarHBondContact CB-O 3.36Å; E459-F496 HydrophobicContact CB-CB 4.27Å; E459-F496 PolarHBondContact N-O 2.93Å; E459-F496 PolarHBondContact O-N 2.86Å; V461-F496 HydrophobicContact CB-CE2 3.96Å; V461-F496 HydrophobicContact CG2-CD2 4.06Å; V461-F496 HydrophobicContact CG2-CE2 3.7Å; N494-F496 HydrophobicContact CB-CD2 4.31Å; N494-F496 HydrophobicContact CB-CE2 3.5Å; N494-F496 HydrophobicContact CB-CZ 3.96Å; F496-L531 HydrophobicContact CE1-CD1 4.46Å; F496-L531 HydrophobicContact CE1-CD2 4.27Å; F496-L531 HydrophobicContact CE1-CG 3.98Å; F496-L531 HydrophobicContact CZ-CD1 3.85Å; F496-L531 HydrophobicContact CZ-CD2 3.86Å; F496-L531 HydrophobicContact CZ-CG 3.74Å; F496-V566 HydrophobicContact CD1-CB 4.44Å; F496-V566 HydrophobicContact CD1-CG1 4.18Å; F496-V566 HydrophobicContact CD1-CG2 3.54Å; F496-V566 HydrophobicContact CE1-CB 4.5Å; F496-V566 HydrophobicContact CE1-CG1 3.97Å; F496-V566 HydrophobicContact CE1-CG2 3.67Å; F496-V566 HydrophobicContact CZ-CG1 4.36Å |
| 497 | F | 95.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 44 Ų | 44 | 4% | 0.044 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.4 | 173.5 | -60.2 | -82.8 | 0 | 0 | 0 | 109.7 | I454 A458 I495 R499 T501 V503 F565 I567 I588 | I454-F497 HydrophobicContact CD1-CE1 3.92Å; I454-F497 HydrophobicContact CD1-CZ 4.03Å; I454-F497 HydrophobicContact CG1-CE1 4.21Å; I454-F497 HydrophobicContact CG1-CZ 4.48Å; A458-F497 HydrophobicContact CB-CD1 3.75Å; A458-F497 HydrophobicContact CB-CE1 3.68Å; A458-F497 HydrophobicContact CB-CG 4.4Å; A458-F497 HydrophobicContact CB-CZ 4.25Å; I495-F497 HydrophobicContact CG2-CE1 4.37Å; I495-F497 HydrophobicContact CG2-CE2 3.87Å; I495-F497 HydrophobicContact CG2-CZ 3.76Å; F497-R499 VanDerWaalsContact CB-O 3.23Å; F497-R499 WeakPolarHBondContact CB-O 3.49Å; F497-R499 PolarHBondContact O-N 3.17Å; F497-R499 VanDerWaalsContact O-N 3.12Å; F497-T501 HydrophobicContact CD1-CG2 3.86Å; F497-T501 HydrophobicContact CE1-CG2 4.01Å; F497-T501 HydrophobicContact CG-CG2 4.29Å; F497-V503 HydrophobicContact CE2-CG2 3.92Å; F497-V503 HydrophobicContact CZ-CG2 3.99Å; F497-F565 PolarHBondContact N-O 3.4Å; F497-I567 HydrophobicContact CE2-CG1 3.98Å; F497-I588 HydrophobicContact CZ-CG2 4.4Å |
| 498 | T | 91.7 | Very high | 93.1 | Very high | 129 Ų | 129 | 43 Ų | 43 | 79% | 0.791 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -62 | -20.2 | 177 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 499 | R | 92.4 | Very high | 93.5 | Very high | 165 Ų | 165 | 38.9 Ų | 38.9 | 62% | 0.623 | 19% | 0.188 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 160.6 | 176 | 62.8 | -175.3 | 175.5 | -149.9 | -7.3 | 110.2 | F497 T501 | F497-R499 VanDerWaalsContact CB-O 3.23Å; F497-R499 WeakPolarHBondContact CB-O 3.49Å; F497-R499 PolarHBondContact O-N 3.17Å; F497-R499 VanDerWaalsContact O-N 3.12Å; R499-T501 PolarHBondContact O-N 2.69Å; R499-T501 PolarHBondContact O-OG1 3.37Å |
| 500 | K | 89.7 | Confident | 93.8 | Very high | 128 Ų | 128 | 35.7 Ų | 35.7 | 56% | 0.557 | 17% | 0.173 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 102.5 | 174.5 | -163.1 | 171.3 | -171.3 | 168.6 | 0 | 110.4 | R563 F565 | K500-R563 HydrophobicContact CG-CB 4.27Å; K500-F565 HydrophobicContact CB-CD2 4.12Å; K500-F565 HydrophobicContact CB-CE1 4.36Å; K500-F565 HydrophobicContact CB-CE2 3.66Å; K500-F565 HydrophobicContact CB-CZ 3.8Å; K500-F565 HydrophobicContact CD-CE2 4.22Å; K500-F565 HydrophobicContact CG-CD2 4.27Å; K500-F565 HydrophobicContact CG-CE2 4.08Å; K500-F565 VanDerWaalsContact N-CE1 3.29Å |
| 501 | T | 92.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 33.8 Ų | 33.8 | 13% | 0.129 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 144.7 | -169.6 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | I454 F497 R499 R563 A564 | I454-T501 HydrophobicContact CD1-CG2 3.74Å; F497-T501 HydrophobicContact CD1-CG2 3.86Å; F497-T501 HydrophobicContact CE1-CG2 4.01Å; F497-T501 HydrophobicContact CG-CG2 4.29Å; R499-T501 PolarHBondContact O-N 2.69Å; R499-T501 PolarHBondContact O-OG1 3.37Å; T501-R563 WeakPolarHBondContact O-CA 3.34Å; T501-A564 PolarHBondContact N-O 3.18Å; T501-A564 PolarHBondContact O-N 3.19Å; T501-A564 VanDerWaalsContact O-N 3.11Å |
| 502 | K | 91.5 | Very high | 93.7 | Very high | 86 Ų | 86 | 35.5 Ų | 35.5 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118.3 | 174.3 | -71.2 | 176.4 | -179.9 | -176.8 | 0 | 108.9 | V561 V562 R563 G590 P591 | K502-V561 HydrophobicContact CB-CB 4.38Å; K502-V561 HydrophobicContact CB-CG2 4.06Å; K502-V561 HydrophobicContact CD-CG2 4.11Å; K502-V561 HydrophobicContact CG-CG2 4.03Å; K502-V562 CarbonylContact C-O 3.59Å; K502-V562 WeakPolarHBondContact CA-O 3.42Å; K502-R563 HydrophobicContact CG-CG 3.96Å; K502-G590 WeakPolarHBondContact O-CA 3.4Å; K502-P591 HydrophobicContact CB-CG 3.97Å; K502-P591 HydrophobicContact CD-CG 4.14Å; K502-P591 WeakPolarHBondContact O-CD 3.23Å |
| 503 | V | 91.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.4 | 179 | -170.2 | 0 | 0 | 0 | 0 | 108.8 | I454 F497 L553 V561 V562 I567 I588 | I454-V503 HydrophobicContact CD1-CB 4.49Å; I454-V503 HydrophobicContact CD1-CG1 4.5Å; I454-V503 HydrophobicContact CD1-CG2 3.97Å; F497-V503 HydrophobicContact CE2-CG2 3.92Å; F497-V503 HydrophobicContact CZ-CG2 3.99Å; V503-L553 HydrophobicContact CB-CD1 4.2Å; V503-L553 HydrophobicContact CG1-CD1 3.72Å; V503-V561 CarbonylContact O-C 3.57Å; V503-V561 WeakPolarHBondContact O-CA 3.29Å; V503-V562 PolarHBondContact N-O 2.78Å; V503-V562 PolarHBondContact O-N 3.25Å; V503-I567 HydrophobicContact CG2-CD1 4.39Å; V503-I567 HydrophobicContact CG2-CG1 4.01Å; V503-I588 HydrophobicContact CG1-CG2 3.38Å |
| 504 | S | 91 | Very high | 93.3 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | trans | -100.1 | -40.5 | -178.8 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | Y451 L553 F589 | Y451-S504 WeakPolarHBondContact CD1-OG 3.47Å; S504-L553 WeakPolarHBondContact O-CA 3.48Å; S504-L553 WeakPolarHBondContact O-CB 3.15Å; S504-L553 PolarHBondContact O-N 3.07Å; S504-F589 WeakPolarHBondContact CA-O 3.45Å; S504-F589 PolarHBondContact N-O 2.85Å; S504-F589 VanDerWaalsContact OG-C 3.28Å; S504-F589 PolarHBondContact OG-O 2.84Å | ||
| 505 | H | 92.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 145.6 | -175.6 | -60 | 77.6 | 0 | 0 | 0 | 111 | L445 Y451 V551 I588 F589 | L445-H505 HydrophobicContact CD2-CB 4.37Å; Y451-H505 AromaticContact CE1-CE1 3.98Å; Y451-H505 AromaticContact CZ-CE1 3.93Å; H505-V551 VanDerWaalsContact CA-O 3.31Å; H505-V551 WeakPolarHBondContact CA-O 3.28Å; H505-I588 WeakPolarHBondContact O-CA 3.14Å; H505-F589 HydrophobicContact CB-CB 4.23Å; H505-F589 HydrophobicContact CB-CD2 4.39Å; H505-F589 PolarHBondContact N-O 2.78Å; H505-F589 VanDerWaalsContact N-O 3.17Å; H505-F589 PolarHBondContact O-N 3.31Å |
| 506 | V | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.8 | 165.3 | 171.5 | 0 | 0 | 0 | 0 | 107.1 | I508 I525 V551 L553 I567 I569 I588 | V506-I508 HydrophobicContact CG1-CD1 4.4Å; V506-I508 HydrophobicContact CG1-CG1 4.15Å; V506-I525 HydrophobicContact CB-CD1 4.45Å; V506-I525 HydrophobicContact CG1-CD1 4.1Å; V506-V551 HydrophobicContact CB-CB 4.41Å; V506-V551 PolarHBondContact N-O 2.87Å; V506-V551 WeakPolarHBondContact O-CA 3.48Å; V506-V551 VanDerWaalsContact O-CB 3.31Å; V506-V551 WeakPolarHBondContact O-CB 3.48Å; V506-V551 PolarHBondContact O-N 3.46Å; V506-L553 HydrophobicContact CG2-CD1 3.87Å; V506-L553 HydrophobicContact CG2-CD2 4.45Å; V506-L553 HydrophobicContact CG2-CG 4.32Å; V506-I567 HydrophobicContact CG2-CG2 4.27Å; V506-I569 HydrophobicContact CG1-CD1 3.45Å; V506-I569 VanDerWaalsContact CG1-CD1 3.45Å; V506-I569 HydrophobicContact CG1-CG1 3.97Å; V506-I588 HydrophobicContact CG2-CG1 4.38Å |
| 507 | C | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.1 | -178 | -64 | 0 | 0 | 0 | 0 | 109.2 | L441 W548 A549 V586 R587 F589 | L441-C507 HydrophobicContact CD2-CB 3.83Å; C507-W548 HydrophobicContact CB-CE3 3.89Å; C507-W548 HydrophobicContact CB-CZ3 4.08Å; C507-A549 WeakPolarHBondContact CA-O 3.38Å; C507-V586 CarbonylContact O-C 3.57Å; C507-V586 WeakPolarHBondContact O-CA 3.4Å; C507-R587 HydrophobicContact CB-CB 4.33Å; C507-R587 PolarHBondContact N-O 3.38Å; C507-R587 PolarHBondContact O-N 3.02Å; C507-F589 HydrophobicContact CB-CE2 4.28Å |
| 508 | I | 94.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 128.9 | -177.6 | -53.9 | -178.7 | 0 | 0 | 0 | 108.1 | V506 T510 I523 A549 I569 V583 V586 | V506-I508 HydrophobicContact CG1-CD1 4.4Å; V506-I508 HydrophobicContact CG1-CG1 4.15Å; I508-T510 HydrophobicContact CG2-CG2 4.27Å; I508-I523 HydrophobicContact CD1-CD1 3.46Å; I508-I523 VanDerWaalsContact CD1-CD1 3.46Å; I508-A549 PolarHBondContact N-O 3.07Å; I508-A549 PolarHBondContact O-N 3.44Å; I508-I569 HydrophobicContact CD1-CD1 4.13Å; I508-I569 HydrophobicContact CD1-CG2 3.64Å; I508-I569 HydrophobicContact CG1-CD1 4.44Å; I508-V583 HydrophobicContact CG2-CG1 3.58Å; I508-V586 HydrophobicContact CG1-CG2 4.28Å; I508-V586 HydrophobicContact CG2-CG2 4.31Å |
| 509 | F | 95.2 | Very high | 92.5 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.5 | 172.9 | -165.5 | -88.6 | 0 | 0 | 0 | 110.2 | F479 D511 W548 R584 Q585 | F479-F509 AromaticContact CD1-CD1 3.86Å; F479-F509 HydrophobicContact CD1-CD1 3.86Å; F479-F509 HydrophobicContact CD1-CD2 4.02Å; F479-F509 AromaticContact CD1-CE1 3.81Å; F479-F509 HydrophobicContact CD1-CE1 3.81Å; F479-F509 AromaticContact CD1-CE2 3.96Å; F479-F509 HydrophobicContact CD1-CE2 3.96Å; F479-F509 AromaticContact CD1-CG 3.94Å; F479-F509 HydrophobicContact CD1-CG 3.94Å; F479-F509 AromaticContact CD1-CZ 3.85Å; F479-F509 HydrophobicContact CD1-CZ 3.85Å; F479-F509 HydrophobicContact CE1-CD1 4.33Å; F479-F509 AromaticContact CE1-CD2 3.67Å; F479-F509 HydrophobicContact CE1-CD2 3.67Å; F479-F509 HydrophobicContact CE1-CE1 4.41Å; F479-F509 AromaticContact CE1-CE2 3.76Å; F479-F509 HydrophobicContact CE1-CE2 3.76Å; F479-F509 AromaticContact CE1-CG 3.94Å; F479-F509 HydrophobicContact CE1-CG 3.94Å; F479-F509 HydrophobicContact CE1-CZ 4.13Å; F479-F509 HydrophobicContact CG-CE1 4.35Å; F479-F509 HydrophobicContact CG-CZ 4.29Å; F479-F509 HydrophobicContact CZ-CE2 4.32Å; F509-D511 HydrophobicContact CE1-CB 4.33Å; F509-W548 HydrophobicContact CB-CD2 4.12Å; F509-W548 HydrophobicContact CB-CE3 4Å; F509-W548 HydrophobicContact CB-CH2 4.19Å; F509-W548 HydrophobicContact CB-CZ2 4.28Å; F509-W548 HydrophobicContact CB-CZ3 4.04Å; F509-W548 AromaticContact CD2-CD1 3.57Å; F509-W548 AromaticContact CD2-CD2 3.76Å; F509-W548 HydrophobicContact CD2-CD2 3.76Å; F509-W548 AromaticContact CD2-CE2 3.6Å; F509-W548 HydrophobicContact CD2-CE3 4.48Å; F509-W548 AromaticContact CD2-CG 3.78Å; F509-W548 HydrophobicContact CD2-CG 3.78Å; F509-W548 HydrophobicContact CD2-CZ2 4.23Å; F509-W548 AromaticContact CD2-NE1 3.45Å; F509-W548 AromaticContact CE2-CD1 3.91Å; F509-W548 HydrophobicContact CE2-CG 4.47Å; F509-W548 AromaticContact CE2-NE1 3.87Å; F509-W548 HydrophobicContact CG-CD2 4.45Å; F509-R584 HydrophobicContact CD1-CB 3.92Å; F509-Q585 HydrophobicContact CB-CB 3.96Å; F509-Q585 PolarHBondContact N-O 3.45Å |
| 510 | T | 92.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.8 | 179.2 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | I508 T519 I542 P545 N546 G547 | I508-T510 HydrophobicContact CG2-CG2 4.27Å; T510-T519 HydrophobicContact CG2-CG2 4.35Å; T510-I542 HydrophobicContact CG2-CD1 4.13Å; T510-P545 CarbonylContact C-O 3.51Å; T510-P545 HydrophobicContact CG2-CB 4.32Å; T510-P545 WeakPolarHBondContact OG1-CA 3.41Å; T510-P545 WeakPolarHBondContact OG1-CB 3.38Å; T510-P545 PolarHBondContact OG1-O 3.39Å; T510-N546 CarbonylContact O-C 3.57Å; T510-N546 VanDerWaalsContact O-CA 3.3Å; T510-N546 WeakPolarHBondContact O-CA 3.48Å; T510-G547 PolarHBondContact N-O 2.94Å; T510-G547 PolarHBondContact O-N 3Å; T510-G547 PolarHBondContact OG1-O 2.72Å |
| 511 | D | 93.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 88.7 | 174.9 | -177.9 | -0.2 | 0 | 0 | 0 | 111 | F509 K513 T514 D515 | F509-D511 HydrophobicContact CE1-CB 4.33Å; D511-K513 PolarHBondContact O-N 3.02Å; D511-K513 WeakPolarHBondContact OD1-CB 3.4Å; D511-K513 PolarHBondContact OD1-N 3.41Å; D511-T514 PolarHBondContact O-N 2.82Å; D511-T514 PolarHBondContact OD1-N 3.07Å; D511-T514 WeakPolarHBondContact OD2-CB 3.41Å; D511-T514 PolarHBondContact OD2-OG1 2.78Å; D511-D515 WeakPolarHBondContact O-CB 2.84Å; D511-D515 PolarHBondContact O-N 3.12Å |
| 512 | V | 91.6 | Very high | 92.6 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 22% | 0.218 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -21.7 | 178 | 75.1 | 0 | 0 | 0 | 0 | 114.3 | E516 T519 P545 N546 | V512-E516 WeakPolarHBondContact O-CA 3.4Å; V512-E516 PolarHBondContact O-N 3.37Å; V512-E516 VanDerWaalsContact O-N 3.12Å; V512-T519 WeakPolarHBondContact CA-OG1 3.21Å; V512-T519 HydrophobicContact CB-CG2 4.18Å; V512-P545 HydrophobicContact CB-CG 4.05Å; V512-P545 WeakPolarHBondContact CB-O 3.43Å; V512-P545 HydrophobicContact CG2-CG 4.25Å; V512-P545 PolarHBondContact N-O 2.7Å; V512-N546 HydrophobicContact CG1-CB 4.23Å |
| 513 | K | 91.6 | Very high | 92.7 | Very high | 159 Ų | 159 | 35.8 Ų | 35.8 | 69% | 0.691 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -74 | -34.7 | -180 | -64.2 | -177.7 | 177.1 | -177.5 | 0 | 111.2 | D511 | D511-K513 PolarHBondContact O-N 3.02Å; D511-K513 WeakPolarHBondContact OD1-CB 3.4Å; D511-K513 PolarHBondContact OD1-N 3.41Å |
| 514 | T | 92.5 | Very high | 92.7 | Very high | 89 Ų | 89 | 35.8 Ų | 35.8 | 55% | 0.546 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -96.8 | -37.7 | -178.3 | -48.3 | 0 | 0 | 0 | 0 | 112 | D511 | D511-T514 PolarHBondContact O-N 2.82Å; D511-T514 PolarHBondContact OD1-N 3.07Å; D511-T514 WeakPolarHBondContact OD2-CB 3.41Å; D511-T514 PolarHBondContact OD2-OG1 2.78Å |
| 515 | D | 92 | Very high | 92.8 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.032 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -94 | -11.8 | -175.3 | -62.5 | -42.1 | 0 | 0 | 0 | 113.5 | D511 S517 Y518 T519 H582 R584 | D511-D515 WeakPolarHBondContact O-CB 2.84Å; D511-D515 PolarHBondContact O-N 3.12Å; D515-S517 PolarHBondContact O-N 3.38Å; D515-S517 VanDerWaalsContact O-N 3.13Å; D515-Y518 WeakPolarHBondContact O-CB 3.46Å; D515-Y518 WeakPolarHBondContact O-CD2 3.46Å; D515-Y518 PolarHBondContact O-N 2.89Å; D515-T519 WeakPolarHBondContact CB-OG1 3.43Å; D515-H582 HydrophobicContact CB-CB 4Å; D515-H582 IonicContact OD1-CG 2.95Å; D515-H582 IonicContact OD1-ND1 3.15Å; D515-H582 PolarHBondContact OD1-ND1 2.91Å; D515-R584 IonicContact OD1-CZ 2.66Å; D515-R584 IonicContact OD1-NE 2.79Å; D515-R584 IonicContact OD1-NH2 2.8Å; D515-R584 PolarHBondContact OD1-NH2 3.2Å; D515-R584 IonicContact OD2-CZ 3.13Å; D515-R584 IonicContact OD2-NE 2.94Å; D515-R584 PolarHBondContact OD2-NE 3Å; D515-R584 IonicContact OD2-NH2 2.69Å; D515-R584 PolarHBondContact OD2-NH2 2.96Å |
| 516 | E | 91.5 | Very high | 92.7 | Very high | 124 Ų | 124 | 37.4 Ų | 37.4 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | 45.3 | -116.3 | 177.4 | -59.7 | -174.9 | 171.5 | 0 | 0 | 112.8 | V512 Y518 T519 | V512-E516 WeakPolarHBondContact O-CA 3.4Å; V512-E516 PolarHBondContact O-N 3.37Å; V512-E516 VanDerWaalsContact O-N 3.12Å; E516-Y518 VanDerWaalsContact C-N 3.27Å; E516-Y518 PolarHBondContact O-N 2.77Å; E516-T519 WeakPolarHBondContact O-CB 3.4Å; E516-T519 PolarHBondContact O-N 3.21Å; E516-T519 PolarHBondContact O-OG1 2.85Å |
| 517 | S | 91.9 | Very high | 92.6 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -68.6 | -17.6 | -179.3 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | D515 T519 N574 H575 G578 | D515-S517 PolarHBondContact O-N 3.38Å; D515-S517 VanDerWaalsContact O-N 3.13Å; S517-T519 PolarHBondContact O-N 3.1Å; S517-N574 WeakPolarHBondContact O-CB 3.29Å; S517-H575 CarbonylContact C-O 3.47Å; S517-H575 VanDerWaalsContact CA-O 3.29Å; S517-H575 WeakPolarHBondContact CA-O 3.15Å; S517-G578 VanDerWaalsContact O-CA 3.31Å; S517-G578 WeakPolarHBondContact O-CA 3.34Å; S517-G578 PolarHBondContact O-N 3.21Å |
| 518 | Y | 92.2 | Very high | 92.3 | Very high | 91 Ų | 91 | 42 Ų | 42 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -79.8 | -4.8 | 177.7 | -57.7 | -77.1 | 0 | 0 | 0 | 112.8 | D515 E516 P520 D580 S581 H582 | D515-Y518 WeakPolarHBondContact O-CB 3.46Å; D515-Y518 WeakPolarHBondContact O-CD2 3.46Å; D515-Y518 PolarHBondContact O-N 2.89Å; E516-Y518 VanDerWaalsContact C-N 3.27Å; E516-Y518 PolarHBondContact O-N 2.77Å; Y518-P520 WeakPolarHBondContact O-CD 3.31Å; Y518-D580 HydrophobicContact CD1-CB 3.84Å; Y518-D580 WeakPolarHBondContact CD1-O 3.35Å; Y518-D580 HydrophobicContact CE1-CB 3.99Å; Y518-S581 CarbonylContact O-C 3.58Å; Y518-S581 VanDerWaalsContact O-CA 3.31Å; Y518-S581 WeakPolarHBondContact O-CA 2.95Å; Y518-H582 PolarHBondContact O-N 3.42Å |
| 519 | T | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -77.8 | 125.3 | -175.2 | -46.8 | 0 | 0 | 0 | 0 | 111.7 | T510 V512 D515 E516 S517 N521 P545 N574 H575 | T510-T519 HydrophobicContact CG2-CG2 4.35Å; V512-T519 WeakPolarHBondContact CA-OG1 3.21Å; V512-T519 HydrophobicContact CB-CG2 4.18Å; D515-T519 WeakPolarHBondContact CB-OG1 3.43Å; E516-T519 WeakPolarHBondContact O-CB 3.4Å; E516-T519 PolarHBondContact O-N 3.21Å; E516-T519 PolarHBondContact O-OG1 2.85Å; S517-T519 PolarHBondContact O-N 3.1Å; T519-N521 PolarHBondContact O-N 3.17Å; T519-P545 HydrophobicContact CG2-CB 3.69Å; T519-P545 HydrophobicContact CG2-CG 3.77Å; T519-N574 CarbonylContact O-C 3.55Å; T519-N574 WeakPolarHBondContact O-CA 3.49Å; T519-H575 WeakPolarHBondContact O-CB 3.39Å; T519-H575 PolarHBondContact O-N 2.96Å |
| 520 | P | 93.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 133.5 | 174.3 | -25.3 | 36 | 0 | 0 | 0 | 112.2 | Y518 I523 I571 N574 H582 V583 | Y518-P520 WeakPolarHBondContact O-CD 3.31Å; P520-I523 HydrophobicContact CB-CG2 4.18Å; P520-I571 HydrophobicContact CB-CD1 4.43Å; P520-I571 HydrophobicContact CB-CG1 4.29Å; P520-I571 HydrophobicContact CB-CG2 3.88Å; P520-I571 HydrophobicContact CG-CD1 3.8Å; P520-I571 HydrophobicContact CG-CG1 4.2Å; P520-I571 HydrophobicContact CG-CG2 4.14Å; P520-N574 WeakPolarHBondContact CA-OD1 3.46Å; P520-H582 VanDerWaalsContact CD-O 3.28Å; P520-H582 WeakPolarHBondContact CD-O 3.34Å; P520-V583 HydrophobicContact CG-CG2 3.99Å |
| 521 | N | 91.8 | Very high | 91.8 | Very high | 34 Ų | 34 | 51.1 Ų | 51.1 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -21.1 | 172.8 | 72.7 | -10 | 0 | 0 | 0 | 113.1 | T519 E541 I542 Q573 | T519-N521 PolarHBondContact O-N 3.17Å; N521-E541 CarbonylContact O-C 3.52Å; N521-E541 WeakPolarHBondContact O-CA 3.48Å; N521-I542 PolarHBondContact O-N 3.1Å; N521-Q573 PolarHBondContact N-O 2.79Å; N521-Q573 VanDerWaalsContact N-O 3.09Å; N521-Q573 WeakPolarHBondContact OD1-CB 3.39Å; N521-Q573 WeakPolarHBondContact OD1-CG 3.35Å; N521-Q573 PolarHBondContact OD1-O 3.47Å |
| 522 | R | 91.7 | Very high | 91.6 | Very high | 99 Ų | 99 | 56 Ų | 56 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 120.9 | 177.6 | -160 | 176 | -178.7 | 177.7 | 0.7 | 110.8 | L539 V540 V572 Q573 | R522-L539 HydrophobicContact CG-CD1 4.3Å; R522-L539 HydrophobicContact CG-CG 4.39Å; R522-V540 WeakPolarHBondContact CA-O 3.43Å; R522-V572 PolarHBondContact O-N 2.98Å; R522-Q573 HydrophobicContact CB-CB 3.86Å; R522-Q573 PolarHBondContact N-O 2.78Å; R522-Q573 PolarHBondContact O-N 2.87Å |
| 523 | I | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146.6 | -178.1 | 65.6 | 178.7 | 0 | 0 | 0 | 110.7 | I508 P520 I525 L539 V540 I542 V551 A570 I571 | I508-I523 HydrophobicContact CD1-CD1 3.46Å; I508-I523 VanDerWaalsContact CD1-CD1 3.46Å; P520-I523 HydrophobicContact CB-CG2 4.18Å; I523-I525 HydrophobicContact CD1-CD1 4.26Å; I523-L539 WeakPolarHBondContact O-CD1 3.42Å; I523-V540 HydrophobicContact CD1-CB 4.07Å; I523-V540 HydrophobicContact CD1-CG1 4.27Å; I523-V540 HydrophobicContact CD1-CG2 4.45Å; I523-V540 HydrophobicContact CG1-CB 3.56Å; I523-V540 HydrophobicContact CG1-CG1 4.16Å; I523-V540 HydrophobicContact CG1-CG2 4.19Å; I523-V540 PolarHBondContact N-O 2.66Å; I523-V540 PolarHBondContact O-N 2.74Å; I523-I542 HydrophobicContact CD1-CD1 4.36Å; I523-V551 HydrophobicContact CD1-CG2 4.2Å; I523-A570 CarbonylContact C-O 3.6Å; I523-A570 VanDerWaalsContact CA-O 3.3Å; I523-A570 WeakPolarHBondContact CA-O 3.4Å; I523-I571 HydrophobicContact CG2-CG1 4.09Å |
| 524 | S | 91.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.2 | 173 | 170.1 | 0 | 0 | 0 | 0 | 108.2 | R526 Q536 A570 | S524-R526 WeakPolarHBondContact OG-CG 3.44Å; S524-R526 PolarHBondContact OG-NE 2.74Å; S524-Q536 VanDerWaalsContact OG-CD 3.29Å; S524-Q536 PolarHBondContact OG-OE1 2.95Å; S524-A570 PolarHBondContact N-O 2.83Å; S524-A570 PolarHBondContact O-N 2.99Å |
| 525 | I | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.4 | 172 | -54.1 | -58.8 | 0 | 0 | 0 | 107.8 | V506 I523 V537 C538 V540 V551 L553 I567 Q568 I569 | V506-I525 HydrophobicContact CB-CD1 4.45Å; V506-I525 HydrophobicContact CG1-CD1 4.1Å; I523-I525 HydrophobicContact CD1-CD1 4.26Å; I525-V537 WeakPolarHBondContact O-CB 3.32Å; I525-V537 PolarHBondContact O-N 3.34Å; I525-C538 PolarHBondContact N-O 2.87Å; I525-C538 PolarHBondContact O-N 2.83Å; I525-V540 HydrophobicContact CG1-CG2 4.44Å; I525-V551 HydrophobicContact CG1-CG1 4.16Å; I525-L553 HydrophobicContact CB-CD2 4.4Å; I525-L553 HydrophobicContact CG1-CD2 4.45Å; I525-L553 HydrophobicContact CG2-CD1 4.37Å; I525-L553 HydrophobicContact CG2-CD2 3.83Å; I525-I567 HydrophobicContact CG2-CG2 4.3Å; I525-Q568 WeakPolarHBondContact CA-O 3.26Å; I525-I569 HydrophobicContact CD1-CB 4.27Å; I525-I569 HydrophobicContact CD1-CG1 3.93Å; I525-I569 HydrophobicContact CD1-CG2 4.03Å |
| 526 | R | 91.9 | Very high | 90.4 | Very high | 68 Ų | 68 | 51.7 Ų | 51.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 156.1 | -178.8 | -45.9 | -179.2 | -177.4 | 163.3 | -13.3 | 110.7 | S524 L534 S535 Q536 I567 Q568 | S524-R526 WeakPolarHBondContact OG-CG 3.44Å; S524-R526 PolarHBondContact OG-NE 2.74Å; R526-L534 HydrophobicContact CB-CB 4.3Å; R526-L534 HydrophobicContact CB-CD2 4.43Å; R526-S535 CarbonylContact C-O 3.59Å; R526-S535 WeakPolarHBondContact CA-O 3.4Å; R526-S535 WeakPolarHBondContact CB-O 3.46Å; R526-Q536 HydrophobicContact CG-CB 4.26Å; R526-I567 CarbonylContact O-C 3.57Å; R526-I567 WeakPolarHBondContact O-CA 3.38Å; R526-Q568 HydrophobicContact CB-CB 4.26Å; R526-Q568 PolarHBondContact N-O 3.07Å; R526-Q568 PolarHBondContact O-N 2.8Å |
| 527 | R | 91.5 | Very high | 90 | Very high | 88 Ų | 88 | 47.2 Ų | 47.2 | 33% | 0.332 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 149.1 | 178 | 73.9 | 175.4 | -175 | 125.9 | -1.3 | 111.8 | L534 S535 V537 V562 R563 A564 V566 I567 | R527-L534 WeakPolarHBondContact O-CA 3.48Å; R527-S535 PolarHBondContact N-O 3.31Å; R527-S535 PolarHBondContact O-N 3.24Å; R527-S535 PolarHBondContact O-OG 2.84Å; R527-S535 VanDerWaalsContact O-OG 3.1Å; R527-V537 HydrophobicContact CB-CG2 3.84Å; R527-V537 HydrophobicContact CG-CG2 3.57Å; R527-V562 HydrophobicContact CB-CG1 4.05Å; R527-V562 HydrophobicContact CG-CG1 4.29Å; R527-R563 PolarHBondContact NH1-O 2.82Å; R527-A564 HydrophobicContact CB-CB 3.88Å; R527-V566 CarbonylContact C-O 3.45Å; R527-V566 VanDerWaalsContact CA-O 3.24Å; R527-V566 WeakPolarHBondContact CA-O 3.43Å; R527-I567 HydrophobicContact CB-CD1 3.87Å |
| 528 | G | 89.2 | Confident | 89.7 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 177.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F565 V566 | G528-F565 PolarHBondContact O-N 2.86Å; G528-V566 PolarHBondContact N-O 3.35Å; G528-V566 PolarHBondContact O-N 3.44Å |
| 529 | T | 90.6 | Very high | 89.3 | Confident | 88 Ų | 88 | 43 Ų | 43 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -84.4 | -22.8 | 162.3 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | D533 F565 | T529-D533 WeakPolarHBondContact CB-OD2 3.38Å; T529-D533 PolarHBondContact N-OD1 3.15Å; T529-D533 VanDerWaalsContact N-OD1 3.12Å; T529-D533 PolarHBondContact N-OD2 2.75Å; T529-D533 VanDerWaalsContact OG1-CG 3.22Å; T529-D533 PolarHBondContact OG1-OD1 3.04Å; T529-D533 PolarHBondContact OG1-OD2 2.88Å; T529-F565 HydrophobicContact CG2-CD2 4.27Å; T529-F565 WeakPolarHBondContact O-CB 3.45Å |
| 530 | S | 90.2 | Very high | 89.1 | Confident | 45 Ų | 45 | 43 Ų | 43 | 32% | 0.315 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -148.5 | -176.4 | 179.2 | 72.5 | 0 | 0 | 0 | 0 | 109.8 | C532 D533 | S530-C532 VanDerWaalsContact C-N 3.29Å; S530-C532 PolarHBondContact OG-N 3.3Å; S530-C532 VanDerWaalsContact OG-N 3.1Å; S530-D533 WeakPolarHBondContact CA-OD1 3.4Å; S530-D533 PolarHBondContact N-OD1 3.18Å; S530-D533 PolarHBondContact OG-OD1 2.85Å |
| 531 | L | 90.6 | Very high | 88.8 | Confident | 83 Ų | 83 | 45.3 Ų | 45.3 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -74 | -20.4 | 169.6 | -69.9 | 178.8 | 0 | 0 | 0 | 113.1 | N494 F496 L534 V566 | N494-L531 HydrophobicContact CB-CD2 4.25Å; N494-L531 WeakPolarHBondContact OD1-CD2 3.31Å; F496-L531 HydrophobicContact CE1-CD1 4.46Å; F496-L531 HydrophobicContact CE1-CD2 4.27Å; F496-L531 HydrophobicContact CE1-CG 3.98Å; F496-L531 HydrophobicContact CZ-CD1 3.85Å; F496-L531 HydrophobicContact CZ-CD2 3.86Å; F496-L531 HydrophobicContact CZ-CG 3.74Å; L531-L534 HydrophobicContact CD2-CD1 3.9Å; L531-V566 HydrophobicContact CD2-CG1 3.99Å |
| 532 | C | 88.4 | Confident | 88.7 | Confident | 129 Ų | 129 | 44 Ų | 44 | 87% | 0.872 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -18 | -174.4 | -58 | 0 | 0 | 0 | 0 | 113.4 | S530 | S530-C532 VanDerWaalsContact C-N 3.29Å; S530-C532 PolarHBondContact OG-N 3.3Å; S530-C532 VanDerWaalsContact OG-N 3.1Å |
| 533 | D | 87.3 | Confident | 88.2 | Confident | 66 Ų | 66 | 44.6 Ų | 44.6 | 35% | 0.353 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | 25.8 | -177.4 | 71.5 | -41.4 | 0 | 0 | 0 | 112.1 | T529 S530 S535 | T529-D533 WeakPolarHBondContact CB-OD2 3.38Å; T529-D533 PolarHBondContact N-OD1 3.15Å; T529-D533 VanDerWaalsContact N-OD1 3.12Å; T529-D533 PolarHBondContact N-OD2 2.75Å; T529-D533 VanDerWaalsContact OG1-CG 3.22Å; T529-D533 PolarHBondContact OG1-OD1 3.04Å; T529-D533 PolarHBondContact OG1-OD2 2.88Å; S530-D533 WeakPolarHBondContact CA-OD1 3.4Å; S530-D533 PolarHBondContact N-OD1 3.18Å; S530-D533 PolarHBondContact OG-OD1 2.85Å; D533-S535 PolarHBondContact O-N 2.84Å |
| 534 | L | 88.3 | Confident | 87.7 | Confident | 42 Ų | 42 | 52.1 Ų | 52.1 | 22% | 0.22 | 27% | 0.272 | C | S | . | . | trans | -62.1 | 123.5 | 177.7 | -71.5 | 175.3 | 0 | 0 | 0 | 110.9 | R526 R527 L531 V566 Q568 | R526-L534 HydrophobicContact CB-CB 4.3Å; R526-L534 HydrophobicContact CB-CD2 4.43Å; R527-L534 WeakPolarHBondContact O-CA 3.48Å; L531-L534 HydrophobicContact CD2-CD1 3.9Å; L534-V566 HydrophobicContact CD2-CB 4.25Å; L534-V566 HydrophobicContact CD2-CG1 4.07Å; L534-Q568 HydrophobicContact CD1-CB 3.96Å; L534-Q568 VanDerWaalsContact CD1-CD 3.49Å; L534-Q568 HydrophobicContact CD1-CG 4.35Å; L534-Q568 VanDerWaalsContact CD1-NE2 3.33Å; L534-Q568 HydrophobicContact CD2-CB 4.29Å | ||
| 535 | S | 82.5 | Confident | 87.4 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 31% | 0.308 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.6 | 171.9 | 57.3 | 0 | 0 | 0 | 0 | 109.4 | R526 R527 D533 | R526-S535 CarbonylContact C-O 3.59Å; R526-S535 WeakPolarHBondContact CA-O 3.4Å; R526-S535 WeakPolarHBondContact CB-O 3.46Å; R527-S535 PolarHBondContact N-O 3.31Å; R527-S535 PolarHBondContact O-N 3.24Å; R527-S535 PolarHBondContact O-OG 2.84Å; R527-S535 VanDerWaalsContact O-OG 3.1Å; D533-S535 PolarHBondContact O-N 2.84Å |
| 536 | Q | 84.5 | Confident | 87.3 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 22% | 0.22 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 138.1 | 174.9 | 179.4 | 170.8 | -60.5 | 0 | 0 | 109.7 | Y430 S524 R526 | Y430-Q536 WeakPolarHBondContact CD1-O 3.38Å; Y430-Q536 HydrophobicContact CD2-CB 3.68Å; Y430-Q536 HydrophobicContact CD2-CG 3.7Å; Y430-Q536 HydrophobicContact CE1-CB 4.48Å; Y430-Q536 WeakPolarHBondContact CE1-O 3.34Å; Y430-Q536 HydrophobicContact CE2-CB 3.58Å; Y430-Q536 HydrophobicContact CE2-CG 4.15Å; Y430-Q536 HydrophobicContact CG-CB 4.16Å; Y430-Q536 HydrophobicContact CG-CG 3.92Å; Y430-Q536 VanDerWaalsContact CZ-O 3.3Å; S524-Q536 VanDerWaalsContact OG-CD 3.29Å; S524-Q536 PolarHBondContact OG-OE1 2.95Å; R526-Q536 HydrophobicContact CG-CB 4.26Å |
| 537 | V | 83.7 | Confident | 87.4 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -50.8 | 177.4 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | I525 R527 V562 | I525-V537 WeakPolarHBondContact O-CB 3.32Å; I525-V537 PolarHBondContact O-N 3.34Å; R527-V537 HydrophobicContact CB-CG2 3.84Å; R527-V537 HydrophobicContact CG-CG2 3.57Å; V537-V562 HydrophobicContact CG1-CG2 3.88Å; V537-V562 HydrophobicContact CG2-CG2 4.38Å |
| 538 | C | 84.2 | Confident | 87.5 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 158 | 176.9 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | L433 I525 | L433-C538 HydrophobicContact CD1-CB 4.13Å; L433-C538 HydrophobicContact CG-CB 4.4Å; I525-C538 PolarHBondContact N-O 2.87Å; I525-C538 PolarHBondContact O-N 2.83Å |
| 539 | L | 85 | Confident | 87.7 | Confident | 21 Ų | 21 | 48.2 Ų | 48.2 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 145.3 | 162.1 | -167.8 | 70 | 0 | 0 | 0 | 107.5 | P431 C432 L433 R522 I523 | P431-L539 PolarHBondContact O-N 2.93Å; C432-L539 CarbonylContact C-O 3.57Å; C432-L539 VanDerWaalsContact CA-O 3.3Å; C432-L539 WeakPolarHBondContact CA-O 3.39Å; C432-L539 HydrophobicContact CB-CB 4.44Å; L433-L539 PolarHBondContact N-O 3.17Å; R522-L539 HydrophobicContact CG-CD1 4.3Å; R522-L539 HydrophobicContact CG-CG 4.39Å; I523-L539 WeakPolarHBondContact O-CD1 3.42Å |
| 540 | V | 88.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131.5 | 179.5 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | L433 I435 R522 I523 I525 I542 V551 | L433-V540 HydrophobicContact CB-CG2 4.36Å; L433-V540 CarbonylContact O-C 3.53Å; L433-V540 VanDerWaalsContact O-CA 3.3Å; L433-V540 WeakPolarHBondContact O-CA 3.16Å; I435-V540 HydrophobicContact CB-CG1 4.29Å; I435-V540 HydrophobicContact CD1-CG1 3.48Å; I435-V540 VanDerWaalsContact CD1-CG1 3.48Å; I435-V540 HydrophobicContact CD1-CG2 4.35Å; I435-V540 HydrophobicContact CG1-CG1 3.84Å; R522-V540 WeakPolarHBondContact CA-O 3.43Å; I523-V540 HydrophobicContact CD1-CB 4.07Å; I523-V540 HydrophobicContact CD1-CG1 4.27Å; I523-V540 HydrophobicContact CD1-CG2 4.45Å; I523-V540 HydrophobicContact CG1-CB 3.56Å; I523-V540 HydrophobicContact CG1-CG1 4.16Å; I523-V540 HydrophobicContact CG1-CG2 4.19Å; I523-V540 PolarHBondContact N-O 2.66Å; I523-V540 PolarHBondContact O-N 2.74Å; I525-V540 HydrophobicContact CG1-CG2 4.44Å; V540-I542 HydrophobicContact CG1-CG1 4.19Å; V540-V551 HydrophobicContact CB-CG2 4.49Å; V540-V551 HydrophobicContact CG1-CG2 4.13Å; V540-V551 HydrophobicContact CG2-CB 4.33Å; V540-V551 HydrophobicContact CG2-CG1 3.49Å; V540-V551 VanDerWaalsContact CG2-CG1 3.49Å; V540-V551 HydrophobicContact CG2-CG2 3.85Å |
| 541 | E | 87.6 | Confident | 87.7 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 24% | 0.243 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115 | 171.7 | -166.9 | -168.2 | 155.4 | 0 | 0 | 108 | L433 R434 I435 N521 R543 | L433-E541 PolarHBondContact O-N 2.76Å; R434-E541 WeakPolarHBondContact CA-O 3.38Å; R434-E541 HydrophobicContact CG-CB 4.34Å; R434-E541 IonicContact NE-OE2 3.52Å; R434-E541 PolarHBondContact NE-OE2 2.8Å; I435-E541 PolarHBondContact N-O 3.37Å; N521-E541 CarbonylContact O-C 3.52Å; N521-E541 WeakPolarHBondContact O-CA 3.48Å; E541-R543 PolarHBondContact O-N 3.03Å; E541-R543 IonicContact OE1-CZ 3.12Å; E541-R543 IonicContact OE1-NE 3.92Å; E541-R543 PolarHBondContact OE1-NE 3.15Å; E541-R543 IonicContact OE1-NH2 2.65Å; E541-R543 PolarHBondContact OE1-NH2 2.9Å; E541-R543 IonicContact OE2-NH2 2.8Å |
| 542 | I | 89 | Confident | 87.6 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 107.7 | -178.4 | -51.7 | 174.6 | 0 | 0 | 0 | 108.1 | C437 T510 N521 I523 V540 P545 A549 | C437-I542 WeakPolarHBondContact SG-CG2 3.45Å; T510-I542 HydrophobicContact CG2-CD1 4.13Å; N521-I542 PolarHBondContact O-N 3.1Å; I523-I542 HydrophobicContact CD1-CD1 4.36Å; V540-I542 HydrophobicContact CG1-CG1 4.19Å; I542-P545 HydrophobicContact CB-CB 4.3Å; I542-P545 HydrophobicContact CG2-CB 3.68Å; I542-A549 HydrophobicContact CD1-CB 3.79Å; I542-A549 HydrophobicContact CG1-CB 4.06Å; I542-A549 HydrophobicContact CG2-CB 3.99Å |
| 543 | R | 82.5 | Confident | 87.4 | Confident | 111 Ų | 111 | 35.7 Ų | 35.7 | 42% | 0.419 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125 | 176.7 | -68.6 | -85.8 | 169.9 | 149.9 | -4.8 | 107.9 | I435 E541 | I435-R543 PolarHBondContact O-N 2.9Å; E541-R543 PolarHBondContact O-N 3.03Å; E541-R543 IonicContact OE1-CZ 3.12Å; E541-R543 IonicContact OE1-NE 3.92Å; E541-R543 PolarHBondContact OE1-NE 3.15Å; E541-R543 IonicContact OE1-NH2 2.65Å; E541-R543 PolarHBondContact OE1-NH2 2.9Å; E541-R543 IonicContact OE2-NH2 2.8Å |
| 544 | Q | 82.7 | Confident | 86.5 | Confident | 159 Ų | 159 | 39.6 Ų | 39.6 | 74% | 0.743 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 54.1 | 71.9 | -175.7 | -60.2 | 176.7 | -20.6 | 0 | 0 | 112 | N546 | Q544-N546 PolarHBondContact O-N 2.95Š|
| 545 | P | 84.5 | Confident | 84.9 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | trans | -72.2 | 71.4 | -171.3 | 27.5 | -30 | 0 | 0 | 0 | 112.6 | T510 V512 T519 I542 | T510-P545 CarbonylContact C-O 3.51Å; T510-P545 HydrophobicContact CG2-CB 4.32Å; T510-P545 WeakPolarHBondContact OG1-CA 3.41Å; T510-P545 WeakPolarHBondContact OG1-CB 3.38Å; T510-P545 PolarHBondContact OG1-O 3.39Å; V512-P545 HydrophobicContact CB-CG 4.05Å; V512-P545 WeakPolarHBondContact CB-O 3.43Å; V512-P545 HydrophobicContact CG2-CG 4.25Å; V512-P545 PolarHBondContact N-O 2.7Å; T519-P545 HydrophobicContact CG2-CB 3.69Å; T519-P545 HydrophobicContact CG2-CG 3.77Å; I542-P545 HydrophobicContact CB-CB 4.3Å; I542-P545 HydrophobicContact CG2-CB 3.68Å | ||
| 546 | N | 91.3 | Very high | 82.9 | Confident | 64 Ų | 64 | 39 Ų | 39 | 34% | 0.342 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 100.9 | 179.7 | -175.7 | 22 | 0 | 0 | 0 | 109.8 | C437 T510 V512 Q544 | C437-N546 WeakPolarHBondContact CB-O 3.42Å; T510-N546 CarbonylContact O-C 3.57Å; T510-N546 VanDerWaalsContact O-CA 3.3Å; T510-N546 WeakPolarHBondContact O-CA 3.48Å; V512-N546 HydrophobicContact CG1-CB 4.23Å; Q544-N546 PolarHBondContact O-N 2.95Å |
| 547 | G | 93.5 | Very high | 80.8 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 111 | -162.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T438 T510 A549 | T438-G547 CarbonylContact O-C 3.52Å; T438-G547 WeakPolarHBondContact O-CA 3.47Å; T510-G547 PolarHBondContact N-O 2.94Å; T510-G547 PolarHBondContact O-N 3Å; T510-G547 PolarHBondContact OG1-O 2.72Å; G547-A549 PolarHBondContact O-N 3.28Å |
| 548 | W | 94 | Very high | 79 | Confident | 8 Ų | 8 | 39 Ų | 39 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 113 | 177.3 | -71.6 | 99.1 | 0 | 0 | 0 | 112.2 | C437 T438 L441 F479 C507 F509 Q585 R587 | C437-W548 VanDerWaalsContact CA-O 3.32Å; C437-W548 WeakPolarHBondContact CA-O 3.39Å; T438-W548 PolarHBondContact N-O 3.45Å; T438-W548 PolarHBondContact O-N 2.87Å; T438-W548 PolarHBondContact OG1-O 3.07Å; L441-W548 HydrophobicContact CD1-CD2 4.05Å; L441-W548 HydrophobicContact CD1-CE3 4.26Å; L441-W548 HydrophobicContact CD1-CH2 4.22Å; L441-W548 HydrophobicContact CD1-CZ2 4.02Å; L441-W548 HydrophobicContact CD1-CZ3 4.34Å; L441-W548 HydrophobicContact CD2-CB 3.97Å; L441-W548 HydrophobicContact CD2-CD2 3.7Å; L441-W548 HydrophobicContact CD2-CE3 3.86Å; L441-W548 HydrophobicContact CD2-CG 3.77Å; L441-W548 HydrophobicContact CG-CB 4.42Å; L441-W548 HydrophobicContact CG-CD2 3.63Å; L441-W548 HydrophobicContact CG-CE3 4.14Å; L441-W548 HydrophobicContact CG-CG 3.76Å; L441-W548 HydrophobicContact CG-CZ2 4.39Å; F479-W548 AromaticContact CE1-CZ2 3.84Å; F479-W548 HydrophobicContact CE1-CZ2 3.84Å; F479-W548 HydrophobicContact CZ-CZ2 4.25Å; C507-W548 HydrophobicContact CB-CE3 3.89Å; C507-W548 HydrophobicContact CB-CZ3 4.08Å; F509-W548 HydrophobicContact CB-CD2 4.12Å; F509-W548 HydrophobicContact CB-CE3 4Å; F509-W548 HydrophobicContact CB-CH2 4.19Å; F509-W548 HydrophobicContact CB-CZ2 4.28Å; F509-W548 HydrophobicContact CB-CZ3 4.04Å; F509-W548 AromaticContact CD2-CD1 3.57Å; F509-W548 AromaticContact CD2-CD2 3.76Å; F509-W548 HydrophobicContact CD2-CD2 3.76Å; F509-W548 AromaticContact CD2-CE2 3.6Å; F509-W548 HydrophobicContact CD2-CE3 4.48Å; F509-W548 AromaticContact CD2-CG 3.78Å; F509-W548 HydrophobicContact CD2-CG 3.78Å; F509-W548 HydrophobicContact CD2-CZ2 4.23Å; F509-W548 AromaticContact CD2-NE1 3.45Å; F509-W548 AromaticContact CE2-CD1 3.91Å; F509-W548 HydrophobicContact CE2-CG 4.47Å; F509-W548 AromaticContact CE2-NE1 3.87Å; F509-W548 HydrophobicContact CG-CD2 4.45Å; W548-Q585 HydrophobicContact CH2-CB 3.59Å; W548-Q585 HydrophobicContact CZ2-CB 4.24Å; W548-Q585 HydrophobicContact CZ3-CB 4.25Å; W548-R587 HydrophobicContact CH2-CG 3.93Å; W548-R587 HydrophobicContact CZ3-CB 4.45Å; W548-R587 HydrophobicContact CZ3-CG 4.26Å |
| 549 | A | 92.9 | Very high | 77.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | C507 I508 I542 G547 | C507-A549 WeakPolarHBondContact CA-O 3.38Å; I508-A549 PolarHBondContact N-O 3.07Å; I508-A549 PolarHBondContact O-N 3.44Å; I542-A549 HydrophobicContact CD1-CB 3.79Å; I542-A549 HydrophobicContact CG1-CB 4.06Å; I542-A549 HydrophobicContact CG2-CB 3.99Å; G547-A549 PolarHBondContact O-N 3.28Å |
| 550 | M | 91 | Very high | 76.4 | Confident | 42 Ų | 42 | 47.8 Ų | 47.8 | 21% | 0.207 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 111.6 | -177.4 | -59.4 | 179 | -70.5 | 0 | 0 | 110.5 | I435 T438 L441 P442 L445 P552 | I435-M550 VanDerWaalsContact CD1-O 3.26Å; I435-M550 WeakPolarHBondContact CD1-O 3.21Å; T438-M550 HydrophobicContact CG2-CE 4.01Å; L441-M550 HydrophobicContact CD2-CG 4.09Å; L441-M550 HydrophobicContact CD2-SD 4.35Å; P442-M550 WeakPolarHBondContact CD-SD 3.49Å; P442-M550 HydrophobicContact CG-CE 3.77Å; P442-M550 HydrophobicContact CG-SD 3.38Å; P442-M550 WeakPolarHBondContact CG-SD 3.34Å; L445-M550 HydrophobicContact CD1-SD 4.1Å; M550-P552 WeakPolarHBondContact O-CD 3.48Å |
| 551 | V | 90.4 | Very high | 75.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 104.9 | 179.6 | -168.6 | 0 | 0 | 0 | 0 | 109.7 | L433 I435 H505 V506 I523 I525 V540 L553 | L433-V551 HydrophobicContact CD1-CG1 4.12Å; I435-V551 HydrophobicContact CD1-CB 4.11Å; I435-V551 HydrophobicContact CD1-CG1 4.22Å; I435-V551 HydrophobicContact CD1-CG2 3.81Å; H505-V551 VanDerWaalsContact CA-O 3.31Å; H505-V551 WeakPolarHBondContact CA-O 3.28Å; V506-V551 HydrophobicContact CB-CB 4.41Å; V506-V551 PolarHBondContact N-O 2.87Å; V506-V551 WeakPolarHBondContact O-CA 3.48Å; V506-V551 VanDerWaalsContact O-CB 3.31Å; V506-V551 WeakPolarHBondContact O-CB 3.48Å; V506-V551 PolarHBondContact O-N 3.46Å; I523-V551 HydrophobicContact CD1-CG2 4.2Å; I525-V551 HydrophobicContact CG1-CG1 4.16Å; V540-V551 HydrophobicContact CB-CG2 4.49Å; V540-V551 HydrophobicContact CG1-CG2 4.13Å; V540-V551 HydrophobicContact CG2-CB 4.33Å; V540-V551 HydrophobicContact CG2-CG1 3.49Å; V540-V551 VanDerWaalsContact CG2-CG1 3.49Å; V540-V551 HydrophobicContact CG2-CG2 3.85Å; V551-L553 HydrophobicContact CG1-CD2 4Å; V551-L553 PolarHBondContact O-N 3Å |
| 552 | P | 87.5 | Confident | 75.7 | Confident | 40 Ų | 40 | 46 Ų | 46 | 26% | 0.26 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 123.5 | 171.7 | 30.9 | -34.3 | 0 | 0 | 0 | 109.6 | M550 Q554 | M550-P552 WeakPolarHBondContact O-CD 3.48Å; P552-Q554 VanDerWaalsContact C-N 3.27Å; P552-Q554 HydrophobicContact CB-CG 4.29Å; P552-Q554 PolarHBondContact O-N 3.38Å; P552-Q554 VanDerWaalsContact O-N 3.15Å |
| 553 | L | 85.1 | Confident | 75.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | trans | -89.9 | 67 | 175.9 | -56.7 | -166.5 | 0 | 0 | 0 | 109.7 | V503 S504 V506 I525 V551 C555 V562 | V503-L553 HydrophobicContact CB-CD1 4.2Å; V503-L553 HydrophobicContact CG1-CD1 3.72Å; S504-L553 WeakPolarHBondContact O-CA 3.48Å; S504-L553 WeakPolarHBondContact O-CB 3.15Å; S504-L553 PolarHBondContact O-N 3.07Å; V506-L553 HydrophobicContact CG2-CD1 3.87Å; V506-L553 HydrophobicContact CG2-CD2 4.45Å; V506-L553 HydrophobicContact CG2-CG 4.32Å; I525-L553 HydrophobicContact CB-CD2 4.4Å; I525-L553 HydrophobicContact CG1-CD2 4.45Å; I525-L553 HydrophobicContact CG2-CD1 4.37Å; I525-L553 HydrophobicContact CG2-CD2 3.83Å; V551-L553 HydrophobicContact CG1-CD2 4Å; V551-L553 PolarHBondContact O-N 3Å; L553-C555 PolarHBondContact O-N 3.37Å; L553-V562 HydrophobicContact CB-CB 4.27Å; L553-V562 HydrophobicContact CB-CG2 3.81Å; L553-V562 HydrophobicContact CD1-CB 4.28Å; L553-V562 HydrophobicContact CD1-CG2 4.35Å | ||
| 554 | Q | 68 | Low | 76 | Confident | 148 Ų | 148 | 45.9 Ų | 45.9 | 69% | 0.692 | 24% | 0.24 | S | C | * | . | trans | -77.2 | 111.6 | 177 | -69.1 | -178.4 | 2.1 | 0 | 0 | 110 | P552 | P552-Q554 VanDerWaalsContact C-N 3.27Å; P552-Q554 HydrophobicContact CB-CG 4.29Å; P552-Q554 PolarHBondContact O-N 3.38Å; P552-Q554 VanDerWaalsContact O-N 3.15Å | ||
| 555 | C | 54.3 | Low | 76.5 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | trans | -110.3 | 113.8 | 164.8 | -170.8 | 0 | 0 | 0 | 0 | 107.9 | L553 S557 T558 G560 V562 | L553-C555 PolarHBondContact O-N 3.37Å; C555-S557 PolarHBondContact O-N 3.28Å; C555-S557 VanDerWaalsContact O-N 3.17Å; C555-S557 PolarHBondContact SG-OG 3.45Å; C555-T558 VanDerWaalsContact CB-OG1 3.29Å; C555-T558 WeakPolarHBondContact CB-OG1 3.39Å; C555-T558 PolarHBondContact O-N 3.29Å; C555-T558 VanDerWaalsContact O-N 3.13Å; C555-T558 PolarHBondContact O-OG1 3.43Å; C555-G560 PolarHBondContact O-N 3.39Å; C555-V562 HydrophobicContact CB-CG2 4.25Å | ||
| 556 | P | 42 | Very low | 77.1 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 32% | 0.318 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -59.6 | -28.1 | -176.2 | -29.8 | 39 | 0 | 0 | 0 | 113.3 | L412 T558 | L412-P556 HydrophobicContact CB-CB 3.76Å; L412-P556 HydrophobicContact CB-CG 3.57Å; L412-P556 HydrophobicContact CD1-CG 3.57Å; L412-P556 HydrophobicContact CG-CG 4.18Å; P556-T558 VanDerWaalsContact C-N 3.28Å; P556-T558 PolarHBondContact O-N 3.12Å |
| 557 | S | 39.6 | Very low | 77.3 | Confident | 44 Ų | 44 | 38.5 Ų | 38.5 | 31% | 0.308 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -72.5 | -18.1 | -179.8 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | S416 C555 | S416-S557 WeakPolarHBondContact OG-CB 3.34Å; C555-S557 PolarHBondContact O-N 3.28Å; C555-S557 VanDerWaalsContact O-N 3.17Å; C555-S557 PolarHBondContact SG-OG 3.45Å |
| 558 | T | 46.4 | Very low | 77.4 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 19% | 0.19 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -123.5 | 22.3 | -170.2 | 43.9 | 0 | 0 | 0 | 0 | 113.4 | C555 P556 V561 | C555-T558 VanDerWaalsContact CB-OG1 3.29Å; C555-T558 WeakPolarHBondContact CB-OG1 3.39Å; C555-T558 PolarHBondContact O-N 3.29Å; C555-T558 VanDerWaalsContact O-N 3.13Å; C555-T558 PolarHBondContact O-OG1 3.43Å; P556-T558 VanDerWaalsContact C-N 3.28Å; P556-T558 PolarHBondContact O-N 3.12Å; T558-V561 WeakPolarHBondContact CB-O 3.47Å; T558-V561 WeakPolarHBondContact O-CG2 3.36Å; T558-V561 PolarHBondContact OG1-O 3.25Å |
| 559 | H | 52.1 | Low | 77.6 | Confident | 184 Ų | 184 | 38.7 Ų | 38.7 | 85% | 0.852 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 46.8 | -178.7 | -59.4 | 19.3 | 0 | 0 | 0 | 111.5 | ||
| 560 | G | 61.3 | Low | 77.7 | Confident | 30 Ų | 30 | 38.7 Ų | 38.7 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 79.9 | 19.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | C555 | C555-G560 PolarHBondContact O-N 3.39Š|
| 561 | V | 77.1 | Confident | 77.9 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 9% | 0.085 | 19% | 0.193 | C | C | . | . | trans | -136 | 135.9 | 175.5 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | K502 V503 T558 P591 | K502-V561 HydrophobicContact CB-CB 4.38Å; K502-V561 HydrophobicContact CB-CG2 4.06Å; K502-V561 HydrophobicContact CD-CG2 4.11Å; K502-V561 HydrophobicContact CG-CG2 4.03Å; V503-V561 CarbonylContact O-C 3.57Å; V503-V561 WeakPolarHBondContact O-CA 3.29Å; T558-V561 WeakPolarHBondContact CB-O 3.47Å; T558-V561 WeakPolarHBondContact O-CG2 3.36Å; T558-V561 PolarHBondContact OG1-O 3.25Å; V561-P591 HydrophobicContact CG1-CG 4.23Å | ||
| 562 | V | 84.6 | Confident | 77.9 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 135.5 | 171.2 | 165 | 0 | 0 | 0 | 0 | 110.5 | K502 V503 R527 V537 L553 C555 A564 I567 | K502-V562 CarbonylContact C-O 3.59Å; K502-V562 WeakPolarHBondContact CA-O 3.42Å; V503-V562 PolarHBondContact N-O 2.78Å; V503-V562 PolarHBondContact O-N 3.25Å; R527-V562 HydrophobicContact CB-CG1 4.05Å; R527-V562 HydrophobicContact CG-CG1 4.29Å; V537-V562 HydrophobicContact CG1-CG2 3.88Å; V537-V562 HydrophobicContact CG2-CG2 4.38Å; L553-V562 HydrophobicContact CB-CB 4.27Å; L553-V562 HydrophobicContact CB-CG2 3.81Å; L553-V562 HydrophobicContact CD1-CB 4.28Å; L553-V562 HydrophobicContact CD1-CG2 4.35Å; C555-V562 HydrophobicContact CB-CG2 4.25Å; V562-A564 HydrophobicContact CG1-CB 4.23Å; V562-I567 HydrophobicContact CG1-CD1 3.94Å |
| 563 | R | 87.4 | Confident | 78.1 | Confident | 110 Ų | 110 | 40.8 Ų | 40.8 | 42% | 0.415 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.3 | 168.7 | -63.9 | -175 | -169.1 | -172.1 | 5.5 | 109.9 | K500 T501 K502 R527 | K500-R563 HydrophobicContact CG-CB 4.27Å; T501-R563 WeakPolarHBondContact O-CA 3.34Å; K502-R563 HydrophobicContact CG-CG 3.96Å; R527-R563 PolarHBondContact NH1-O 2.82Å |
| 564 | A | 90.1 | Very high | 78.4 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 158.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T501 R527 V562 V566 I567 | T501-A564 PolarHBondContact N-O 3.18Å; T501-A564 PolarHBondContact O-N 3.19Å; T501-A564 VanDerWaalsContact O-N 3.11Å; R527-A564 HydrophobicContact CB-CB 3.88Å; V562-A564 HydrophobicContact CG1-CB 4.23Å; A564-V566 WeakPolarHBondContact CB-O 3.28Å; A564-I567 HydrophobicContact CB-CD1 3.71Å; A564-I567 HydrophobicContact CB-CG1 4.27Å |
| 565 | F | 94.4 | Very high | 79.2 | Confident | 75 Ų | 75 | 36.7 Ų | 36.7 | 33% | 0.329 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -31 | 161.1 | -74 | -92.6 | 0 | 0 | 0 | 110.6 | F497 K500 G528 T529 | F497-F565 PolarHBondContact N-O 3.4Å; K500-F565 HydrophobicContact CB-CD2 4.12Å; K500-F565 HydrophobicContact CB-CE1 4.36Å; K500-F565 HydrophobicContact CB-CE2 3.66Å; K500-F565 HydrophobicContact CB-CZ 3.8Å; K500-F565 HydrophobicContact CD-CE2 4.22Å; K500-F565 HydrophobicContact CG-CD2 4.27Å; K500-F565 HydrophobicContact CG-CE2 4.08Å; K500-F565 VanDerWaalsContact N-CE1 3.29Å; G528-F565 PolarHBondContact O-N 2.86Å; T529-F565 HydrophobicContact CG2-CD2 4.27Å; T529-F565 WeakPolarHBondContact O-CB 3.45Å |
| 566 | V | 95.5 | Very high | 80.6 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.9 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | I495 F496 R527 G528 L531 L534 A564 | I495-V566 CarbonylContact O-C 3.53Å; I495-V566 WeakPolarHBondContact O-CA 3.49Å; F496-V566 HydrophobicContact CD1-CB 4.44Å; F496-V566 HydrophobicContact CD1-CG1 4.18Å; F496-V566 HydrophobicContact CD1-CG2 3.54Å; F496-V566 HydrophobicContact CE1-CB 4.5Å; F496-V566 HydrophobicContact CE1-CG1 3.97Å; F496-V566 HydrophobicContact CE1-CG2 3.67Å; F496-V566 HydrophobicContact CZ-CG1 4.36Å; R527-V566 CarbonylContact C-O 3.45Å; R527-V566 VanDerWaalsContact CA-O 3.24Å; R527-V566 WeakPolarHBondContact CA-O 3.43Å; G528-V566 PolarHBondContact N-O 3.35Å; G528-V566 PolarHBondContact O-N 3.44Å; L531-V566 HydrophobicContact CD2-CG1 3.99Å; L534-V566 HydrophobicContact CD2-CB 4.25Å; L534-V566 HydrophobicContact CD2-CG1 4.07Å; A564-V566 WeakPolarHBondContact CB-O 3.28Å |
| 567 | I | 96 | Very high | 82.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.1 | 162.1 | -63.9 | -64.6 | 0 | 0 | 0 | 107.4 | I495 F497 V503 V506 I525 R526 R527 V562 A564 | I495-I567 HydrophobicContact CB-CB 4.43Å; I495-I567 HydrophobicContact CD1-CB 4.38Å; I495-I567 HydrophobicContact CD1-CG2 4.2Å; I495-I567 WeakPolarHBondContact CD1-O 3.34Å; I495-I567 PolarHBondContact N-O 3.45Å; I495-I567 PolarHBondContact O-N 3.05Å; F497-I567 HydrophobicContact CE2-CG1 3.98Å; V503-I567 HydrophobicContact CG2-CD1 4.39Å; V503-I567 HydrophobicContact CG2-CG1 4.01Å; V506-I567 HydrophobicContact CG2-CG2 4.27Å; I525-I567 HydrophobicContact CG2-CG2 4.3Å; R526-I567 CarbonylContact O-C 3.57Å; R526-I567 WeakPolarHBondContact O-CA 3.38Å; R527-I567 HydrophobicContact CB-CD1 3.87Å; V562-I567 HydrophobicContact CG1-CD1 3.94Å; A564-I567 HydrophobicContact CB-CD1 3.71Å; A564-I567 HydrophobicContact CB-CG1 4.27Å |
| 568 | Q | 96.7 | Very high | 84.5 | Confident | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.065 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.1 | 173.8 | 175.9 | -179.2 | 91.9 | 0 | 0 | 109.2 | T492 I493 N494 I525 R526 L534 A570 | T492-Q568 HydrophobicContact CG2-CG 4.19Å; I493-Q568 CarbonylContact O-C 3.54Å; I493-Q568 WeakPolarHBondContact O-CA 3.46Å; N494-Q568 VanDerWaalsContact OD1-CG 3.27Å; N494-Q568 WeakPolarHBondContact OD1-CG 3.45Å; N494-Q568 PolarHBondContact OD1-NE2 2.87Å; I525-Q568 WeakPolarHBondContact CA-O 3.26Å; R526-Q568 HydrophobicContact CB-CB 4.26Å; R526-Q568 PolarHBondContact N-O 3.07Å; R526-Q568 PolarHBondContact O-N 2.8Å; L534-Q568 HydrophobicContact CD1-CB 3.96Å; L534-Q568 VanDerWaalsContact CD1-CD 3.49Å; L534-Q568 HydrophobicContact CD1-CG 4.35Å; L534-Q568 VanDerWaalsContact CD1-NE2 3.33Å; L534-Q568 HydrophobicContact CD2-CB 4.29Å; Q568-A570 HydrophobicContact CG-CB 4.47Å |
| 569 | I | 96.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 110.5 | 165.8 | -51.2 | 172.2 | 0 | 0 | 0 | 106.2 | T492 I493 I495 V506 I508 I525 V586 | T492-I569 CarbonylContact C-O 3.58Å; T492-I569 WeakPolarHBondContact CA-O 3.49Å; I493-I569 HydrophobicContact CB-CB 4.19Å; I493-I569 HydrophobicContact CD1-CD1 4.45Å; I493-I569 PolarHBondContact N-O 3.05Å; I493-I569 PolarHBondContact O-N 2.86Å; I495-I569 HydrophobicContact CD1-CD1 4.14Å; I495-I569 HydrophobicContact CD1-CG1 4.18Å; V506-I569 HydrophobicContact CG1-CD1 3.45Å; V506-I569 VanDerWaalsContact CG1-CD1 3.45Å; V506-I569 HydrophobicContact CG1-CG1 3.97Å; I508-I569 HydrophobicContact CD1-CD1 4.13Å; I508-I569 HydrophobicContact CD1-CG2 3.64Å; I508-I569 HydrophobicContact CG1-CD1 4.44Å; I525-I569 HydrophobicContact CD1-CB 4.27Å; I525-I569 HydrophobicContact CD1-CG1 3.93Å; I525-I569 HydrophobicContact CD1-CG2 4.03Å; I569-V586 HydrophobicContact CD1-CG1 3.68Å |
| 570 | A | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P490 T492 I523 S524 Q568 V572 | P490-A570 HydrophobicContact CB-CB 4.28Å; T492-A570 HydrophobicContact CG2-CB 4.06Å; I523-A570 CarbonylContact C-O 3.6Å; I523-A570 VanDerWaalsContact CA-O 3.3Å; I523-A570 WeakPolarHBondContact CA-O 3.4Å; S524-A570 PolarHBondContact N-O 2.83Å; S524-A570 PolarHBondContact O-N 2.99Å; Q568-A570 HydrophobicContact CG-CB 4.47Å; A570-V572 PolarHBondContact O-N 3.34Å |
| 571 | I | 94.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 109.6 | 173.7 | -59.2 | 163.6 | 0 | 0 | 0 | 107.6 | W483 P490 H491 P520 I523 N574 S581 V583 | W483-I571 HydrophobicContact CH2-CD1 4.23Å; W483-I571 HydrophobicContact CZ3-CD1 3.67Å; P490-I571 WeakPolarHBondContact CA-O 3.31Å; P490-I571 WeakPolarHBondContact CB-O 3.36Å; H491-I571 HydrophobicContact CB-CB 4.41Å; H491-I571 HydrophobicContact CB-CD1 4.47Å; H491-I571 PolarHBondContact N-O 2.85Å; H491-I571 PolarHBondContact O-N 2.74Å; P520-I571 HydrophobicContact CB-CD1 4.43Å; P520-I571 HydrophobicContact CB-CG1 4.29Å; P520-I571 HydrophobicContact CB-CG2 3.88Å; P520-I571 HydrophobicContact CG-CD1 3.8Å; P520-I571 HydrophobicContact CG-CG1 4.2Å; P520-I571 HydrophobicContact CG-CG2 4.14Å; I523-I571 HydrophobicContact CG2-CG1 4.09Å; I571-N574 WeakPolarHBondContact CG2-OD1 3.27Å; I571-S581 WeakPolarHBondContact CG2-OG 3.37Å; I571-V583 HydrophobicContact CD1-CG2 3.71Å |
| 572 | V | 91.6 | Very high | 90.8 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 37% | 0.37 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -30.1 | -174.2 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | Q489 R522 A570 | Q489-V572 PolarHBondContact OE1-O 2.5Å; R522-V572 PolarHBondContact O-N 2.98Å; A570-V572 PolarHBondContact O-N 3.34Å |
| 573 | Q | 91.4 | Very high | 91.2 | Very high | 63 Ų | 63 | 42.9 Ų | 42.9 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 146.1 | 179.7 | -167.1 | 178.8 | 7.6 | 0 | 0 | 110.6 | N521 R522 N577 | N521-Q573 PolarHBondContact N-O 2.79Å; N521-Q573 VanDerWaalsContact N-O 3.09Å; N521-Q573 WeakPolarHBondContact OD1-CB 3.39Å; N521-Q573 WeakPolarHBondContact OD1-CG 3.35Å; N521-Q573 PolarHBondContact OD1-O 3.47Å; R522-Q573 HydrophobicContact CB-CB 3.86Å; R522-Q573 PolarHBondContact N-O 2.78Å; R522-Q573 PolarHBondContact O-N 2.87Å; Q573-N577 PolarHBondContact NE2-OD1 2.74Å |
| 574 | N | 90.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 161.6 | 171.4 | -67 | -38.3 | 0 | 0 | 0 | 111 | Q489 S517 T519 P520 I571 N577 G578 D580 S581 | Q489-N574 PolarHBondContact NE2-ND2 3.18Å; S517-N574 WeakPolarHBondContact O-CB 3.29Å; T519-N574 CarbonylContact O-C 3.55Å; T519-N574 WeakPolarHBondContact O-CA 3.49Å; P520-N574 WeakPolarHBondContact CA-OD1 3.46Å; I571-N574 WeakPolarHBondContact CG2-OD1 3.27Å; N574-N577 PolarHBondContact O-N 3.28Å; N574-N577 VanDerWaalsContact O-N 3.13Å; N574-G578 PolarHBondContact ND2-O 2.89Å; N574-D580 PolarHBondContact ND2-O 3.05Å; N574-S581 VanDerWaalsContact CG-OG 3.3Å; N574-S581 PolarHBondContact ND2-OG 3.46Å; N574-S581 PolarHBondContact OD1-OG 3.16Å |
| 575 | H | 85 | Confident | 91.8 | Very high | 62 Ų | 62 | 38.2 Ų | 38.2 | 29% | 0.287 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -55.1 | 139.1 | 169.5 | -166.2 | 64.7 | 0 | 0 | 0 | 110.3 | S517 T519 N577 G578 | S517-H575 CarbonylContact C-O 3.47Å; S517-H575 VanDerWaalsContact CA-O 3.29Å; S517-H575 WeakPolarHBondContact CA-O 3.15Å; T519-H575 WeakPolarHBondContact O-CB 3.39Å; T519-H575 PolarHBondContact O-N 2.96Å; H575-N577 PolarHBondContact O-N 2.91Å; H575-G578 PolarHBondContact O-N 2.82Å |
| 576 | Q | 84.5 | Confident | 91.9 | Very high | 143 Ų | 143 | 34.6 Ų | 34.6 | 67% | 0.668 | 16% | 0.163 | S | C | * | . | G | 310 helix | trans | 51.4 | 22.8 | -176.2 | -60.5 | 174.3 | 6.7 | 0 | 0 | 114.8 | G578 | Q576-G578 VanDerWaalsContact C-N 3.29Å; Q576-G578 PolarHBondContact O-N 3.11Å |
| 577 | N | 81.5 | Confident | 91.9 | Very high | 120 Ų | 120 | 38.4 Ų | 38.4 | 64% | 0.642 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | 56.6 | 35.8 | -178 | -54.1 | -45 | 0 | 0 | 0 | 114.1 | Q573 N574 H575 | Q573-N577 PolarHBondContact NE2-OD1 2.74Å; N574-N577 PolarHBondContact O-N 3.28Å; N574-N577 VanDerWaalsContact O-N 3.13Å; H575-N577 PolarHBondContact O-N 2.91Å |
| 578 | G | 81.6 | Confident | 91.8 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 8% | 0.082 | 18% | 0.177 | C | C | . | . | trans | -57.5 | 143.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q489 S517 N574 H575 Q576 | Q489-G578 PolarHBondContact NE2-O 2.88Å; S517-G578 VanDerWaalsContact O-CA 3.31Å; S517-G578 WeakPolarHBondContact O-CA 3.34Å; S517-G578 PolarHBondContact O-N 3.21Å; N574-G578 PolarHBondContact ND2-O 2.89Å; H575-G578 PolarHBondContact O-N 2.82Å; Q576-G578 VanDerWaalsContact C-N 3.29Å; Q576-G578 PolarHBondContact O-N 3.11Å | ||
| 579 | R | 88.7 | Confident | 91.7 | Very high | 203 Ų | 203 | 38 Ų | 38 | 77% | 0.766 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -72.8 | -45.1 | -172.4 | -176.6 | 178.7 | 176.5 | 175.7 | -1.2 | 113.5 | H491 | H491-R579 PolarHBondContact CE1-O 3.01Š|
| 580 | D | 91.2 | Very high | 91.4 | Very high | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -99 | 163.6 | 177.2 | -59.8 | -20.1 | 0 | 0 | 0 | 109.5 | K466 S485 Y518 N574 | K466-D580 IonicContact NZ-OD2 3.25Å; K466-D580 PolarHBondContact NZ-OD2 2.8Å; S485-D580 WeakPolarHBondContact OG-CA 3.5Å; Y518-D580 HydrophobicContact CD1-CB 3.84Å; Y518-D580 WeakPolarHBondContact CD1-O 3.35Å; Y518-D580 HydrophobicContact CE1-CB 3.99Å; N574-D580 PolarHBondContact ND2-O 3.05Å |
| 581 | S | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -118.1 | 136.7 | 175.4 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | Q484 S485 H491 Y518 I571 N574 | Q484-S581 WeakPolarHBondContact CA-O 3.33Å; S485-S581 PolarHBondContact N-O 2.8Å; S485-S581 VanDerWaalsContact N-O 3.17Å; S485-S581 PolarHBondContact OG-N 3Å; H491-S581 WeakPolarHBondContact ND1-CB 3.33Å; H491-S581 PolarHBondContact ND1-OG 3.23Å; Y518-S581 CarbonylContact O-C 3.58Å; Y518-S581 VanDerWaalsContact O-CA 3.31Å; Y518-S581 WeakPolarHBondContact O-CA 2.95Å; I571-S581 WeakPolarHBondContact CG2-OG 3.37Å; N574-S581 VanDerWaalsContact CG-OG 3.3Å; N574-S581 PolarHBondContact ND2-OG 3.46Å; N574-S581 PolarHBondContact OD1-OG 3.16Å | ||
| 582 | H | 95 | Very high | 90.2 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.065 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.2 | 167.8 | -69.4 | -177.7 | 0 | 0 | 0 | 109.9 | Y482 W483 Q484 D515 Y518 P520 | Y482-H582 HydrophobicContact CD2-CB 4.19Å; Y482-H582 AromaticContact CD2-CD2 3.78Å; Y482-H582 AromaticContact CD2-CG 3.72Å; Y482-H582 AromaticContact CD2-ND1 3.93Å; Y482-H582 AromaticContact CE2-CD2 3.76Å; Y482-H582 AromaticContact CE2-CE1 3.52Å; Y482-H582 AromaticContact CE2-CG 3.91Å; Y482-H582 AromaticContact CE2-ND1 3.76Å; Y482-H582 AromaticContact CE2-NE2 3.52Å; Y482-H582 HydrophobicContact CG-CB 4.49Å; Y482-H582 AromaticContact CZ-CE1 3.87Å; W483-H582 VanDerWaalsContact O-CA 3.32Å; W483-H582 WeakPolarHBondContact O-CA 3.38Å; Q484-H582 PolarHBondContact NE2-NE2 2.67Å; D515-H582 HydrophobicContact CB-CB 4Å; D515-H582 IonicContact OD1-CG 2.95Å; D515-H582 IonicContact OD1-ND1 3.15Å; D515-H582 PolarHBondContact OD1-ND1 2.91Å; Y518-H582 PolarHBondContact O-N 3.42Å; P520-H582 VanDerWaalsContact CD-O 3.28Å; P520-H582 WeakPolarHBondContact CD-O 3.34Å |
| 583 | V | 94.5 | Very high | 88.7 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 116.4 | 170.7 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | L474 Y482 W483 I508 P520 I571 V586 | L474-V583 HydrophobicContact CD1-CB 3.72Å; L474-V583 HydrophobicContact CD1-CG1 3.53Å; Y482-V583 WeakPolarHBondContact CA-O 3.5Å; W483-V583 HydrophobicContact CE3-CB 3.97Å; W483-V583 HydrophobicContact CE3-CG2 3.76Å; W483-V583 HydrophobicContact CZ3-CG2 4.02Å; W483-V583 PolarHBondContact N-O 3.24Å; W483-V583 PolarHBondContact O-N 2.81Å; W483-V583 VanDerWaalsContact O-N 3.07Å; I508-V583 HydrophobicContact CG2-CG1 3.58Å; P520-V583 HydrophobicContact CG-CG2 3.99Å; I571-V583 HydrophobicContact CD1-CG2 3.71Å; V583-V586 HydrophobicContact CG1-CG2 3.64Å |
| 584 | R | 94.7 | Very high | 86.3 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | trans | -76.6 | -46.2 | -173.9 | -72.6 | 171.7 | -177.7 | -86.8 | -8 | 112.2 | F479 T481 F509 D515 | F479-R584 WeakPolarHBondContact O-CD 3.38Å; F479-R584 PolarHBondContact O-NH1 3.33Å; T481-R584 WeakPolarHBondContact O-CA 3.45Å; F509-R584 HydrophobicContact CD1-CB 3.92Å; D515-R584 IonicContact OD1-CZ 2.66Å; D515-R584 IonicContact OD1-NE 2.79Å; D515-R584 IonicContact OD1-NH2 2.8Å; D515-R584 PolarHBondContact OD1-NH2 3.2Å; D515-R584 IonicContact OD2-CZ 3.13Å; D515-R584 IonicContact OD2-NE 2.94Å; D515-R584 PolarHBondContact OD2-NE 3Å; D515-R584 IonicContact OD2-NH2 2.69Å; D515-R584 PolarHBondContact OD2-NH2 2.96Å | ||
| 585 | Q | 95.5 | Very high | 83.4 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 146.4 | 178.5 | -68.2 | -66 | -52.2 | 0 | 0 | 111.9 | Q473 L474 D476 G477 K478 F479 F509 W548 | Q473-Q585 PolarHBondContact O-NE2 2.79Å; L474-Q585 WeakPolarHBondContact O-CA 3.24Å; L474-Q585 PolarHBondContact O-OE1 3.13Å; D476-Q585 PolarHBondContact OD1-NE2 3.39Å; G477-Q585 VanDerWaalsContact CA-OE1 3.28Å; K478-Q585 PolarHBondContact O-NE2 3.36Å; F479-Q585 HydrophobicContact CD1-CG 4.17Å; F479-Q585 HydrophobicContact CE1-CG 4.23Å; F509-Q585 HydrophobicContact CB-CB 3.96Å; F509-Q585 PolarHBondContact N-O 3.45Å; W548-Q585 HydrophobicContact CH2-CB 3.59Å; W548-Q585 HydrophobicContact CZ2-CB 4.24Å; W548-Q585 HydrophobicContact CZ3-CB 4.25Å |
| 586 | V | 96 | Very high | 80.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.9 | 168.5 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | W460 L474 R475 I493 C507 I508 I569 V583 I588 | W460-V586 HydrophobicContact CH2-CB 4.21Å; W460-V586 HydrophobicContact CH2-CG1 3.74Å; W460-V586 HydrophobicContact CZ3-CB 4.1Å; W460-V586 HydrophobicContact CZ3-CG1 3.81Å; L474-V586 HydrophobicContact CD1-CB 4.39Å; L474-V586 HydrophobicContact CD1-CG2 3.65Å; L474-V586 HydrophobicContact CD2-CB 4.29Å; L474-V586 HydrophobicContact CD2-CG2 4.11Å; L474-V586 HydrophobicContact CG-CB 4.15Å; L474-V586 HydrophobicContact CG-CG2 3.93Å; L474-V586 PolarHBondContact O-N 2.95Å; L474-V586 VanDerWaalsContact O-N 3.1Å; R475-V586 WeakPolarHBondContact CD-O 3.44Å; R475-V586 PolarHBondContact NH1-O 2.82Å; I493-V586 HydrophobicContact CD1-CG2 3.97Å; C507-V586 CarbonylContact O-C 3.57Å; C507-V586 WeakPolarHBondContact O-CA 3.4Å; I508-V586 HydrophobicContact CG1-CG2 4.28Å; I508-V586 HydrophobicContact CG2-CG2 4.31Å; I569-V586 HydrophobicContact CD1-CG1 3.68Å; V583-V586 HydrophobicContact CG1-CG2 3.64Å; V586-I588 HydrophobicContact CG1-CG1 4.49Å |
| 587 | R | 95.2 | Very high | 78.1 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 143.4 | 173.8 | -66.4 | -172.6 | -177.6 | -170.9 | -0.1 | 111.2 | E453 C507 W548 F589 | E453-R587 HydrophobicContact CG-CB 4.38Å; C507-R587 HydrophobicContact CB-CB 4.33Å; C507-R587 PolarHBondContact N-O 3.38Å; C507-R587 PolarHBondContact O-N 3.02Å; W548-R587 HydrophobicContact CH2-CG 3.93Å; W548-R587 HydrophobicContact CZ3-CB 4.45Å; W548-R587 HydrophobicContact CZ3-CG 4.26Å; R587-F589 HydrophobicContact CB-CE2 3.75Å; R587-F589 HydrophobicContact CB-CZ 4.2Å |
| 588 | I | 94.2 | Very high | 75.5 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.1 | -179.7 | -61.1 | 177.8 | 0 | 0 | 0 | 108.4 | E453 I454 W460 I495 F497 V503 H505 V506 V586 | E453-I588 CarbonylContact C-O 3.54Å; E453-I588 WeakPolarHBondContact CA-O 3.35Å; E453-I588 PolarHBondContact OE1-N 3.36Å; I454-I588 HydrophobicContact CD1-CG2 4.02Å; I454-I588 HydrophobicContact CG1-CB 4.36Å; I454-I588 HydrophobicContact CG1-CG2 3.84Å; I454-I588 WeakPolarHBondContact CG1-O 2.97Å; I454-I588 PolarHBondContact N-O 3.13Å; W460-I588 HydrophobicContact CH2-CD1 3.47Å; W460-I588 VanDerWaalsContact CH2-CD1 3.47Å; W460-I588 HydrophobicContact CH2-CG1 3.88Å; W460-I588 HydrophobicContact CZ2-CD1 3.79Å; W460-I588 HydrophobicContact CZ2-CG1 4.27Å; W460-I588 HydrophobicContact CZ3-CD1 4.3Å; I495-I588 HydrophobicContact CB-CD1 4.01Å; I495-I588 HydrophobicContact CD1-CD1 3.39Å; I495-I588 HydrophobicContact CG1-CD1 3.49Å; I495-I588 VanDerWaalsContact CG1-CD1 3.49Å; I495-I588 HydrophobicContact CG2-CD1 3.85Å; F497-I588 HydrophobicContact CZ-CG2 4.4Å; V503-I588 HydrophobicContact CG1-CG2 3.38Å; H505-I588 WeakPolarHBondContact O-CA 3.14Å; V506-I588 HydrophobicContact CG2-CG1 4.38Å; V586-I588 HydrophobicContact CG1-CG1 4.49Å |
| 589 | F | 93.6 | Very high | 73.1 | Confident | 4 Ų | 4 | 73.4 Ų | 73.4 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.6 | -176.6 | -65.2 | -91.8 | 0 | 0 | 0 | 110.9 | L441 L445 K452 E453 S504 H505 C507 R587 | L441-F589 HydrophobicContact CD1-CE2 4.32Å; L441-F589 HydrophobicContact CD1-CZ 4.11Å; L445-F589 HydrophobicContact CB-CD1 4.32Å; L445-F589 HydrophobicContact CB-CE1 4.12Å; L445-F589 HydrophobicContact CB-CE2 4.46Å; L445-F589 HydrophobicContact CB-CZ 4.19Å; L445-F589 HydrophobicContact CD1-CD2 4.49Å; L445-F589 HydrophobicContact CD2-CB 4.31Å; L445-F589 HydrophobicContact CD2-CD1 4.48Å; L445-F589 HydrophobicContact CD2-CD2 4.43Å; L445-F589 HydrophobicContact CD2-CG 4.16Å; L445-F589 WeakPolarHBondContact O-CD1 3.38Å; L445-F589 WeakPolarHBondContact O-CE1 3.35Å; K452-F589 CarbonylContact O-C 3.59Å; K452-F589 VanDerWaalsContact O-CA 3.28Å; K452-F589 WeakPolarHBondContact O-CA 3.37Å; E453-F589 HydrophobicContact CB-CD1 4.36Å; E453-F589 HydrophobicContact CB-CE1 4.15Å; E453-F589 HydrophobicContact CG-CE1 4.18Å; E453-F589 HydrophobicContact CG-CZ 4.33Å; S504-F589 WeakPolarHBondContact CA-O 3.45Å; S504-F589 PolarHBondContact N-O 2.85Å; S504-F589 VanDerWaalsContact OG-C 3.28Å; S504-F589 PolarHBondContact OG-O 2.84Å; H505-F589 HydrophobicContact CB-CB 4.23Å; H505-F589 HydrophobicContact CB-CD2 4.39Å; H505-F589 PolarHBondContact N-O 2.78Å; H505-F589 VanDerWaalsContact N-O 3.17Å; H505-F589 PolarHBondContact O-N 3.31Å; C507-F589 HydrophobicContact CB-CE2 4.28Å; R587-F589 HydrophobicContact CB-CE2 3.75Å; R587-F589 HydrophobicContact CB-CZ 4.2Å |
| 590 | G | 90.8 | Very high | 70.4 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 168.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y451 K452 K502 | Y451-G590 CarbonylContact C-O 3.58Å; Y451-G590 VanDerWaalsContact CA-O 3.28Å; Y451-G590 WeakPolarHBondContact CA-O 3.4Å; K452-G590 PolarHBondContact N-O 2.88Å; K452-G590 PolarHBondContact O-N 2.78Å; K502-G590 WeakPolarHBondContact O-CA 3.4Å |
| 591 | P | 87.4 | Confident | 67.3 | Low | 46 Ų | 46 | 73.3 Ų | 73.3 | 30% | 0.299 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 140 | 176 | 28.6 | -33.5 | 0 | 0 | 0 | 112.3 | K450 K502 V561 | K450-P591 CarbonylContact O-C 3.48Å; K450-P591 VanDerWaalsContact O-CA 3.28Å; K450-P591 WeakPolarHBondContact O-CA 3.24Å; K502-P591 HydrophobicContact CB-CG 3.97Å; K502-P591 HydrophobicContact CD-CG 4.14Å; K502-P591 WeakPolarHBondContact O-CD 3.23Å; V561-P591 HydrophobicContact CG1-CG 4.23Å |
| 592 | K | 78.8 | Confident | 64.3 | Low | 94 Ų | 94 | 80.2 Ų | 80.2 | 41% | 0.409 | 44% | 0.435 | S | S | . | . | trans | -83.9 | 120.8 | 165.4 | -88.1 | 176.8 | -175.3 | 166.9 | 0 | 108.4 | S448 D449 K450 Y451 K452 | S448-K592 PolarHBondContact O-NZ 2.96Å; D449-K592 WeakPolarHBondContact O-CB 3.47Å; K450-K592 PolarHBondContact O-N 3.12Å; Y451-K592 WeakPolarHBondContact O-CD 3.32Å; Y451-K592 WeakPolarHBondContact O-CE 3.34Å; Y451-K592 WeakPolarHBondContact O-CG 3.39Å; Y451-K592 PolarHBondContact O-NZ 2.69Å; K452-K592 HydrophobicContact CB-CD 4.32Å; K452-K592 HydrophobicContact CB-CG 3.62Å; K452-K592 HydrophobicContact CG-CG 3.95Å | ||
| 593 | G | 59.6 | Low | 61 | Low | 76 Ų | 76 | 88.5 Ų | 88.5 | 78% | 0.784 | 47% | 0.474 | S | S | * | . | trans | 157.7 | 132.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 594 | K | 41.3 | Very low | 57.9 | Low | 192 Ų | 192 | 100.1 Ų | 100.1 | 84% | 0.835 | 53% | 0.534 | S | S | * | . | trans | -52.8 | 146.2 | -169.2 | -69.7 | 174.3 | 176.7 | 174.7 | 0 | 113.5 | W596 | K594-W596 PolarHBondContact O-N 3.12Å; K594-W596 VanDerWaalsContact O-N 3.15Å | ||
| 595 | S | 29.5 | Very low | 56.1 | Low | 101 Ų | 101 | 104.5 Ų | 104.5 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | trans | -41.8 | 123.2 | 155.7 | 52.3 | 0 | 0 | 0 | 0 | 108.4 | N597 | S595-N597 PolarHBondContact O-N 2.83Š| ||
| 596 | W | 29.8 | Very low | 54 | Low | 234 Ų | 234 | 109.8 Ų | 109.8 | 89% | 0.886 | 59% | 0.587 | S | S | * | * | trans | -53.9 | 111.3 | 171.3 | -73.6 | 79.9 | 0 | 0 | 0 | 107.2 | K594 K598 | K594-W596 PolarHBondContact O-N 3.12Å; K594-W596 VanDerWaalsContact O-N 3.15Å; W596-K598 PolarHBondContact O-N 2.76Å | ||
| 597 | N | 28.4 | Very low | 51.7 | Low | 136 Ų | 136 | 115.9 Ų | 115.9 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | trans | -54.1 | 134.6 | 165.9 | -82.9 | -22.7 | 0 | 0 | 0 | 106.8 | S595 V599 | S595-N597 PolarHBondContact O-N 2.83Å; N597-V599 PolarHBondContact O-N 3.36Å | ||
| 598 | K | 25.7 | Very low | 49.1 | Very low | 195 Ų | 195 | 117.9 Ų | 117.9 | 85% | 0.848 | 64% | 0.638 | S | S | * | * | trans | -34.6 | 109.2 | 172.4 | -77 | 176.3 | 172.3 | 178.4 | 0 | 109.7 | W596 N600 | W596-K598 PolarHBondContact O-N 2.76Å; K598-N600 PolarHBondContact O-N 2.59Å | ||
| 599 | V | 31.8 | Very low | 46.3 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | trans | -69.3 | 116.3 | 155.4 | 177.2 | 0 | 0 | 0 | 0 | 104.5 | N597 G601 | N597-V599 PolarHBondContact O-N 3.36Å; V599-G601 PolarHBondContact O-N 3.1Å | ||
| 600 | N | 31.2 | Very low | 43.2 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -48.6 | 133.2 | 171 | -73.5 | -35 | 0 | 0 | 0 | 110.3 | K598 | K598-N600 PolarHBondContact O-N 2.59Š|
| 601 | G | 27.5 | Very low | 39.8 | Very low | 69 Ų | 69 | 142.8 Ų | 142.8 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 75.6 | 98.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V599 | V599-G601 PolarHBondContact O-N 3.1Š| ||
| 602 | V | 29.9 | Very low | 36.1 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | 175.9 | 120.6 | 114.2 | 159.6 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 603 | Q | 25.3 | Very low | 32.5 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | trans | -74.9 | 117.9 | 166.3 | -85.5 | 174 | -47.1 | 0 | 0 | 108.9 | ||||
| 604 | L | 30.6 | Very low | 30.1 | Very low | 246 Ų | 246 | 162.1 Ų | 162.1 | 100% | 1.288 | 85% | 0.848 | S | S | * | * | -169.4 | 0 | 122 | -97 | 166.6 | 0 | 0 | 0 | 109.4 |
Retrieved 604 of 604 residues in 268.2 ms
(Link to these results)