| 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 | 43.1 | Very low | 47.2 | Very low | 248 Ų | 248 | 168.3 Ų | 168.3 | 100% | 1.222 | 85% | 0.845 | S | S | * | * | 0 | 96.5 | 0 | -87.1 | 169.8 | 172 | 0 | 0 | 108 | |||||
| 2 | M | 43.3 | Very low | 47.1 | Very low | 194 Ų | 194 | 162.5 Ų | 162.5 | 96% | 0.956 | 83% | 0.828 | S | S | * | * | trans | -135 | 97.5 | 178.8 | -85.8 | -94 | -87.9 | 0 | 0 | 106.8 | ||||
| 3 | A | 48.9 | Very low | 47.5 | Very low | 98 Ų | 98 | 163.8 Ų | 163.8 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -157.4 | 32.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 4 | G | 51.3 | Low | 47.3 | Very low | 69 Ų | 69 | 157.6 Ų | 157.6 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -110.8 | 1.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 5 | F | 51.9 | Low | 47.6 | Very low | 194 Ų | 194 | 157.9 Ų | 157.9 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -102.2 | -8.1 | -173.3 | -156.9 | -102 | 0 | 0 | 0 | 114.2 | ||
| 6 | L | 46.7 | Very low | 47.7 | Very low | 157 Ų | 157 | 161.5 Ų | 161.5 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -104.8 | -9.8 | 179.4 | -64.6 | 178.7 | 0 | 0 | 0 | 114.2 | N8 | L6-N8 PolarHBondContact O-N 3.4Š|
| 7 | D | 50.3 | Low | 47.6 | Very low | 144 Ų | 144 | 156.8 Ų | 156.8 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -2.3 | 177.5 | -89.6 | -16.9 | 0 | 0 | 0 | 114.1 | ||
| 8 | N | 46.2 | Very low | 48.1 | Very low | 148 Ų | 148 | 152.5 Ų | 152.5 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 7.6 | -178.5 | -146.3 | -15.1 | 0 | 0 | 0 | 113.9 | L6 R10 | L6-N8 PolarHBondContact O-N 3.4Å; N8-R10 VanDerWaalsContact C-N 3.26Å; N8-R10 PolarHBondContact O-N 3.25Å |
| 9 | F | 45.3 | Very low | 48.8 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | trans | -97.5 | 46.8 | 167.5 | -115.8 | -83.1 | 0 | 0 | 0 | 110.9 | W11 | F9-W11 AromaticContact CD1-CE3 3.87Å; F9-W11 HydrophobicContact CD1-CE3 3.87Å; F9-W11 HydrophobicContact CD1-CZ3 4.07Å; F9-W11 AromaticContact CE1-CE3 3.94Å; F9-W11 HydrophobicContact CE1-CE3 3.94Å; F9-W11 AromaticContact CE1-CZ3 3.79Å; F9-W11 HydrophobicContact CE1-CZ3 3.79Å; F9-W11 PolarHBondContact O-N 2.97Å | ||
| 10 | R | 50 | Low | 49.5 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | trans | -74.6 | 88 | 161.8 | -132.3 | 174.9 | 165.4 | -168.7 | -6.9 | 106.1 | N8 | N8-R10 VanDerWaalsContact C-N 3.26Å; N8-R10 PolarHBondContact O-N 3.25Å | ||
| 11 | W | 42.2 | Very low | 50.3 | Low | 200 Ų | 200 | 145.9 Ų | 145.9 | 76% | 0.758 | 72% | 0.722 | S | S | * | * | trans | -49.4 | 125.6 | 170.3 | -140.6 | -72.4 | 0 | 0 | 0 | 106.9 | F9 E13 | F9-W11 AromaticContact CD1-CE3 3.87Å; F9-W11 HydrophobicContact CD1-CE3 3.87Å; F9-W11 HydrophobicContact CD1-CZ3 4.07Å; F9-W11 AromaticContact CE1-CE3 3.94Å; F9-W11 HydrophobicContact CE1-CE3 3.94Å; F9-W11 AromaticContact CE1-CZ3 3.79Å; F9-W11 HydrophobicContact CE1-CZ3 3.79Å; F9-W11 PolarHBondContact O-N 2.97Å; W11-E13 PolarHBondContact O-N 3.02Å | ||
| 12 | P | 46.3 | Very low | 51.7 | Low | 99 Ų | 99 | 141.6 Ų | 141.6 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | trans | -61.2 | 117.7 | 175.6 | 24.5 | -30 | 0 | 0 | 0 | 106.5 | C14 | P12-C14 VanDerWaalsContact C-N 3.34Å; P12-C14 PolarHBondContact O-N 3.24Å | ||
| 13 | E | 51.9 | Low | 53.2 | Low | 180 Ų | 180 | 137.6 Ų | 137.6 | 84% | 0.841 | 67% | 0.666 | S | S | * | * | trans | -55.8 | 106.1 | 166.3 | -71.2 | -179.1 | 151.5 | 0 | 0 | 105.9 | W11 D15 | W11-E13 PolarHBondContact O-N 3.02Å; E13-D15 VanDerWaalsContact C-N 3.35Å; E13-D15 PolarHBondContact O-N 3.35Å | ||
| 14 | C | 44.8 | Very low | 54.8 | Low | 76 Ų | 76 | 134.6 Ų | 134.6 | 51% | 0.514 | 64% | 0.637 | S | S | . | * | trans | -80.8 | 88.6 | -176.4 | -123.9 | 0 | 0 | 0 | 0 | 106.7 | P12 W16 F17 | P12-C14 VanDerWaalsContact C-N 3.34Å; P12-C14 PolarHBondContact O-N 3.24Å; C14-W16 PolarHBondContact O-N 2.95Å; C14-F17 PolarHBondContact O-N 3.43Å | ||
| 15 | D | 52.1 | Low | 56.3 | Low | 162 Ų | 162 | 133.9 Ų | 133.9 | 87% | 0.866 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -6.4 | 179.2 | -74.9 | -29.2 | 0 | 0 | 0 | 114.7 | E13 | E13-D15 VanDerWaalsContact C-N 3.35Å; E13-D15 PolarHBondContact O-N 3.35Å |
| 16 | W | 48.9 | Very low | 57.9 | Low | 216 Ų | 216 | 129 Ų | 129 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -14.5 | 176.2 | 88.7 | -57.9 | 0 | 0 | 0 | 114.2 | C14 | C14-W16 PolarHBondContact O-N 2.95Š|
| 17 | F | 46.1 | Very low | 59.9 | Low | 81 Ų | 81 | 121.9 Ų | 121.9 | 36% | 0.355 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -122.3 | 89 | -178 | -162.2 | -97.4 | 0 | 0 | 0 | 108.2 | C14 W19 | C14-F17 PolarHBondContact O-N 3.43Å; F17-W19 AromaticContact CD1-CE3 3.95Å; F17-W19 HydrophobicContact CD1-CE3 3.95Å; F17-W19 AromaticContact CE1-CE3 3.62Å; F17-W19 HydrophobicContact CE1-CE3 3.62Å; F17-W19 AromaticContact CE1-CZ3 3.95Å; F17-W19 HydrophobicContact CE1-CZ3 3.95Å; F17-W19 PolarHBondContact O-N 3.05Å |
| 18 | D | 57.5 | Low | 61.7 | Low | 80 Ų | 80 | 117.4 Ų | 117.4 | 43% | 0.428 | 55% | 0.554 | S | S | . | * | trans | -65 | 80.8 | -178.8 | -161.8 | -19.4 | 0 | 0 | 0 | 110.9 | G20 E21 R22 | D18-G20 PolarHBondContact O-N 3.44Å; D18-G20 PolarHBondContact OD1-N 2.95Å; D18-E21 HydrophobicContact CB-CB 4.05Å; D18-E21 PolarHBondContact O-N 3.32Å; D18-E21 PolarHBondContact OD1-N 3.38Å; D18-E21 WeakPolarHBondContact OD2-CB 3.45Å; D18-R22 PolarHBondContact O-N 3.15Å; D18-R22 VanDerWaalsContact O-N 3.1Å | ||
| 19 | W | 61 | Low | 63.8 | Low | 175 Ų | 175 | 115.3 Ų | 115.3 | 66% | 0.663 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.8 | -28.8 | 179 | -173.6 | -99 | 0 | 0 | 0 | 110.7 | F17 R23 | F17-W19 AromaticContact CD1-CE3 3.95Å; F17-W19 HydrophobicContact CD1-CE3 3.95Å; F17-W19 AromaticContact CE1-CE3 3.62Å; F17-W19 HydrophobicContact CE1-CE3 3.62Å; F17-W19 AromaticContact CE1-CZ3 3.95Å; F17-W19 HydrophobicContact CE1-CZ3 3.95Å; F17-W19 PolarHBondContact O-N 3.05Å; W19-R23 WeakPolarHBondContact O-CB 3.39Å; W19-R23 PolarHBondContact O-N 3.44Å |
| 20 | G | 63 | Low | 66.1 | Low | 10 Ų | 10 | 110 Ų | 110 | 10% | 0.103 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -68.1 | -49.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D18 R23 N24 | D18-G20 PolarHBondContact O-N 3.44Å; D18-G20 PolarHBondContact OD1-N 2.95Å; G20-R23 PolarHBondContact O-N 3.49Å; G20-N24 WeakPolarHBondContact O-CB 3.45Å; G20-N24 PolarHBondContact O-N 3.45Å; G20-N24 PolarHBondContact O-OD1 3.39Å |
| 21 | E | 65.8 | Low | 68.1 | Low | 133 Ų | 133 | 99 Ų | 99 | 62% | 0.621 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.2 | -41.4 | -179.3 | -161 | 171.7 | -138.9 | 0 | 0 | 112 | D18 R23 N24 A25 | D18-E21 HydrophobicContact CB-CB 4.05Å; D18-E21 PolarHBondContact O-N 3.32Å; D18-E21 PolarHBondContact OD1-N 3.38Å; D18-E21 WeakPolarHBondContact OD2-CB 3.45Å; E21-R23 PolarHBondContact O-N 3.03Å; E21-N24 PolarHBondContact O-N 3.16Å; E21-A25 PolarHBondContact O-N 3.15Å |
| 22 | R | 72.7 | Confident | 70.4 | Confident | 158 Ų | 158 | 91.4 Ų | 91.4 | 60% | 0.596 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.2 | -42.7 | 171.2 | -81.9 | -170.1 | 178.3 | -160.9 | 2.9 | 112.6 | D18 N24 A25 V26 | D18-R22 PolarHBondContact O-N 3.15Å; D18-R22 VanDerWaalsContact O-N 3.1Å; R22-N24 VanDerWaalsContact C-N 3.35Å; R22-A25 PolarHBondContact O-N 2.85Å; R22-V26 WeakPolarHBondContact O-CB 3.35Å; R22-V26 VanDerWaalsContact O-CG2 3.25Å; R22-V26 WeakPolarHBondContact O-CG2 3.32Å; R22-V26 PolarHBondContact O-N 2.97Å |
| 23 | R | 74.8 | Confident | 72.7 | Confident | 110 Ų | 110 | 89.4 Ų | 89.4 | 42% | 0.415 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 179 | -176.3 | 173.4 | 60.2 | -159.3 | -14.2 | 111.5 | W19 G20 E21 V26 A27 T154 | W19-R23 WeakPolarHBondContact O-CB 3.39Å; W19-R23 PolarHBondContact O-N 3.44Å; G20-R23 PolarHBondContact O-N 3.49Å; E21-R23 PolarHBondContact O-N 3.03Å; R23-V26 PolarHBondContact O-N 3.37Å; R23-A27 WeakPolarHBondContact O-CB 3.15Å; R23-A27 PolarHBondContact O-N 3.26Å; R23-T154 PolarHBondContact NE-OG1 2.88Å; R23-T154 PolarHBondContact NH2-OG1 2.78Å |
| 24 | N | 81.6 | Confident | 74.7 | Confident | 36 Ų | 36 | 82.5 Ų | 82.5 | 19% | 0.193 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.6 | -69.9 | -7.7 | 0 | 0 | 0 | 112 | G20 E21 R22 A27 S28 R153 T154 | G20-N24 WeakPolarHBondContact O-CB 3.45Å; G20-N24 PolarHBondContact O-N 3.45Å; G20-N24 PolarHBondContact O-OD1 3.39Å; E21-N24 PolarHBondContact O-N 3.16Å; R22-N24 VanDerWaalsContact C-N 3.35Å; N24-A27 PolarHBondContact O-N 3.38Å; N24-S28 WeakPolarHBondContact O-CB 3.34Å; N24-S28 PolarHBondContact O-N 3.28Å; N24-S28 PolarHBondContact O-OG 2.86Å; N24-R153 HydrophobicContact CB-CG 4.19Å; N24-R153 WeakPolarHBondContact OD1-CA 3.35Å; N24-T154 PolarHBondContact ND2-O 3.33Å; N24-T154 PolarHBondContact OD1-N 3.02Å; N24-T154 PolarHBondContact OD1-O 2.87Å; N24-T154 PolarHBondContact OD1-OG1 3.01Å |
| 25 | A | 83.6 | Confident | 77 | Confident | 53 Ų | 53 | 81 Ų | 81 | 44% | 0.438 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E21 R22 S28 V29 | E21-A25 PolarHBondContact O-N 3.15Å; R22-A25 PolarHBondContact O-N 2.85Å; A25-S28 PolarHBondContact O-N 2.95Å; A25-S28 PolarHBondContact O-OG 3.32Å; A25-V29 WeakPolarHBondContact O-CB 3.29Å; A25-V29 VanDerWaalsContact O-CG2 3.23Å; A25-V29 WeakPolarHBondContact O-CG2 3.4Å; A25-V29 PolarHBondContact O-N 3.36Å |
| 26 | V | 86.2 | Confident | 79 | Confident | 91 Ų | 91 | 79.2 Ų | 79.2 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.9 | -44.1 | 177 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | R22 R23 S28 V29 V30 | R22-V26 WeakPolarHBondContact O-CB 3.35Å; R22-V26 VanDerWaalsContact O-CG2 3.25Å; R22-V26 WeakPolarHBondContact O-CG2 3.32Å; R22-V26 PolarHBondContact O-N 2.97Å; R23-V26 PolarHBondContact O-N 3.37Å; V26-S28 VanDerWaalsContact C-N 3.35Å; V26-S28 PolarHBondContact O-N 2.89Å; V26-V29 PolarHBondContact O-N 2.94Å; V26-V30 HydrophobicContact CG1-CG2 4.15Å; V26-V30 WeakPolarHBondContact O-CB 3.47Å; V26-V30 VanDerWaalsContact O-CG2 3.24Å; V26-V30 WeakPolarHBondContact O-CG2 3.45Å; V26-V30 PolarHBondContact O-N 2.85Å |
| 27 | A | 87 | Confident | 81.1 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R23 N24 A31 | R23-A27 WeakPolarHBondContact O-CB 3.15Å; R23-A27 PolarHBondContact O-N 3.26Å; N24-A27 PolarHBondContact O-N 3.38Å; A27-A31 WeakPolarHBondContact O-CB 3.41Å; A27-A31 PolarHBondContact O-N 3.19Å |
| 28 | S | 89.1 | Confident | 83.2 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 35% | 0.35 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 177.7 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | N24 A25 V26 G32 | N24-S28 WeakPolarHBondContact O-CB 3.34Å; N24-S28 PolarHBondContact O-N 3.28Å; N24-S28 PolarHBondContact O-OG 2.86Å; A25-S28 PolarHBondContact O-N 2.95Å; A25-S28 PolarHBondContact O-OG 3.32Å; V26-S28 VanDerWaalsContact C-N 3.35Å; V26-S28 PolarHBondContact O-N 2.89Å; S28-G32 PolarHBondContact O-N 2.88Å |
| 29 | V | 91.2 | Very high | 84.8 | Confident | 103 Ų | 103 | 67.5 Ų | 67.5 | 62% | 0.624 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.9 | -47.5 | 175.2 | 170 | 0 | 0 | 0 | 0 | 111.1 | A25 V26 G32 S33 | A25-V29 WeakPolarHBondContact O-CB 3.29Å; A25-V29 VanDerWaalsContact O-CG2 3.23Å; A25-V29 WeakPolarHBondContact O-CG2 3.4Å; A25-V29 PolarHBondContact O-N 3.36Å; V26-V29 PolarHBondContact O-N 2.94Å; V29-G32 PolarHBondContact O-N 3.41Å; V29-S33 WeakPolarHBondContact O-CB 3.14Å; V29-S33 PolarHBondContact O-N 2.89Å; V29-S33 PolarHBondContact O-OG 3.32Å |
| 30 | V | 91.7 | Very high | 86.2 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 35% | 0.352 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 179 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | V26 G32 S33 L34 I148 | V26-V30 HydrophobicContact CG1-CG2 4.15Å; V26-V30 WeakPolarHBondContact O-CB 3.47Å; V26-V30 VanDerWaalsContact O-CG2 3.24Å; V26-V30 WeakPolarHBondContact O-CG2 3.45Å; V26-V30 PolarHBondContact O-N 2.85Å; V30-G32 VanDerWaalsContact C-N 3.35Å; V30-G32 PolarHBondContact O-N 3.28Å; V30-S33 PolarHBondContact O-N 3.41Å; V30-S33 PolarHBondContact O-OG 3.01Å; V30-L34 HydrophobicContact CG1-CD1 3.98Å; V30-L34 WeakPolarHBondContact O-CG 3.23Å; V30-L34 PolarHBondContact O-N 3.37Å; V30-I148 HydrophobicContact CB-CG2 4.34Å; V30-I148 HydrophobicContact CG1-CD1 4.14Å; V30-I148 HydrophobicContact CG1-CG2 4.13Å |
| 31 | A | 92.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A27 S33 L34 F35 S145 I148 Y149 | A27-A31 WeakPolarHBondContact O-CB 3.41Å; A27-A31 PolarHBondContact O-N 3.19Å; A31-S33 PolarHBondContact O-N 3.5Å; A31-L34 PolarHBondContact O-N 3.28Å; A31-F35 PolarHBondContact O-N 3.32Å; A31-S145 WeakPolarHBondContact CB-O 3.5Å; A31-S145 WeakPolarHBondContact O-CB 3.33Å; A31-S145 PolarHBondContact O-OG 3.48Å; A31-I148 HydrophobicContact CB-CG2 4.26Å; A31-Y149 HydrophobicContact CB-CD2 3.84Å; A31-Y149 HydrophobicContact CB-CG 4.27Å |
| 32 | G | 92 | Very high | 88.2 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S28 V29 V30 L34 F35 F36 | S28-G32 PolarHBondContact O-N 2.88Å; V29-G32 PolarHBondContact O-N 3.41Å; V30-G32 VanDerWaalsContact C-N 3.35Å; V30-G32 PolarHBondContact O-N 3.28Å; G32-L34 PolarHBondContact O-N 2.82Å; G32-F35 PolarHBondContact O-N 3.16Å; G32-F36 WeakPolarHBondContact O-CB 3.3Å; G32-F36 PolarHBondContact O-N 2.95Å |
| 33 | S | 94.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.6 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | V29 V30 A31 F36 T37 | V29-S33 WeakPolarHBondContact O-CB 3.14Å; V29-S33 PolarHBondContact O-N 2.89Å; V29-S33 PolarHBondContact O-OG 3.32Å; V30-S33 PolarHBondContact O-N 3.41Å; V30-S33 PolarHBondContact O-OG 3.01Å; A31-S33 PolarHBondContact O-N 3.5Å; S33-F36 PolarHBondContact O-N 3.45Å; S33-T37 VanDerWaalsContact O-CG2 3.3Å; S33-T37 WeakPolarHBondContact O-CG2 3.4Å; S33-T37 PolarHBondContact O-N 3.18Å; S33-T37 PolarHBondContact O-OG1 3.12Å |
| 34 | L | 92.9 | Very high | 89.4 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66 | -40.4 | 178 | -69.2 | 168.1 | 0 | 0 | 0 | 112.6 | V30 A31 G32 F36 T37 G38 F141 F144 I148 | V30-L34 HydrophobicContact CG1-CD1 3.98Å; V30-L34 WeakPolarHBondContact O-CG 3.23Å; V30-L34 PolarHBondContact O-N 3.37Å; A31-L34 PolarHBondContact O-N 3.28Å; G32-L34 PolarHBondContact O-N 2.82Å; L34-F36 VanDerWaalsContact C-N 3.34Å; L34-T37 WeakPolarHBondContact CA-OG1 3.3Å; L34-T37 PolarHBondContact O-N 3.11Å; L34-T37 PolarHBondContact O-OG1 3.14Å; L34-G38 PolarHBondContact O-N 3.26Å; L34-F141 HydrophobicContact CD2-CD1 3.81Å; L34-F141 HydrophobicContact CD2-CE1 4.27Å; L34-F141 WeakPolarHBondContact O-CB 3.47Å; L34-F144 HydrophobicContact CD1-CB 4.48Å; L34-I148 HydrophobicContact CD1-CD1 3.37Å |
| 35 | F | 93.4 | Very high | 89.5 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 175.2 | -176.3 | -96.9 | 0 | 0 | 0 | 111.1 | A31 G32 G38 W39 T67 F70 F71 I142 | A31-F35 PolarHBondContact O-N 3.32Å; G32-F35 PolarHBondContact O-N 3.16Å; F35-G38 PolarHBondContact O-N 3.48Å; F35-W39 AromaticContact CD1-CD1 3.85Å; F35-W39 AromaticContact CE1-CD1 3.45Å; F35-W39 VanDerWaalsContact CE1-CD1 3.45Å; F35-W39 AromaticContact CE1-NE1 3.45Å; F35-W39 AromaticContact CE2-NE1 3.57Å; F35-W39 AromaticContact CZ-CD1 3.58Å; F35-W39 AromaticContact CZ-NE1 3.08Å; F35-W39 PolarHBondContact O-N 3.28Å; F35-T67 HydrophobicContact CE2-CG2 3.72Å; F35-T67 HydrophobicContact CZ-CG2 4.06Å; F35-F70 HydrophobicContact CD2-CD1 4.32Å; F35-F70 HydrophobicContact CD2-CD2 4.4Å; F35-F70 HydrophobicContact CD2-CE1 4.48Å; F35-F70 HydrophobicContact CD2-CG 4.31Å; F35-F70 HydrophobicContact CE2-CD1 4.17Å; F35-F70 HydrophobicContact CE2-CG 4.34Å; F35-F71 HydrophobicContact CZ-CE2 4.5Å; F35-I142 HydrophobicContact CD2-CG1 4.11Å; F35-I142 HydrophobicContact CD2-CG2 4.28Å; F35-I142 HydrophobicContact CE2-CG1 4.47Å; F35-I142 HydrophobicContact CE2-CG2 4.38Å |
| 36 | F | 94.2 | Very high | 89.4 | Confident | 126 Ų | 126 | 57 Ų | 57 | 55% | 0.553 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 175.6 | 177.1 | -98.6 | 0 | 0 | 0 | 111.6 | G32 S33 L34 G38 W39 W40 | G32-F36 WeakPolarHBondContact O-CB 3.3Å; G32-F36 PolarHBondContact O-N 2.95Å; S33-F36 PolarHBondContact O-N 3.45Å; L34-F36 VanDerWaalsContact C-N 3.34Å; F36-G38 VanDerWaalsContact C-N 3.29Å; F36-G38 PolarHBondContact O-N 2.92Å; F36-W39 PolarHBondContact O-N 3.45Å; F36-W40 HydrophobicContact CE1-CE3 4.21Å; F36-W40 HydrophobicContact CE2-CE3 4.47Å; F36-W40 HydrophobicContact CZ-CD2 4.49Å; F36-W40 AromaticContact CZ-CE3 3.71Å; F36-W40 HydrophobicContact CZ-CE3 3.71Å; F36-W40 HydrophobicContact CZ-CZ3 4.25Å; F36-W40 WeakPolarHBondContact O-CB 3.42Å; F36-W40 PolarHBondContact O-N 3.44Å |
| 37 | T | 93.3 | Very high | 89.2 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 32% | 0.319 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 177.9 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | S33 L34 W40 I41 | S33-T37 VanDerWaalsContact O-CG2 3.3Å; S33-T37 WeakPolarHBondContact O-CG2 3.4Å; S33-T37 PolarHBondContact O-N 3.18Å; S33-T37 PolarHBondContact O-OG1 3.12Å; L34-T37 WeakPolarHBondContact CA-OG1 3.3Å; L34-T37 PolarHBondContact O-N 3.11Å; L34-T37 PolarHBondContact O-OG1 3.14Å; T37-W40 PolarHBondContact O-N 3.26Å; T37-I41 VanDerWaalsContact O-CG1 3.3Å; T37-I41 WeakPolarHBondContact O-CG1 3.15Å; T37-I41 PolarHBondContact O-N 3.18Å |
| 38 | G | 90.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L34 F35 F36 M42 Q138 | L34-G38 PolarHBondContact O-N 3.26Å; F35-G38 PolarHBondContact O-N 3.48Å; F36-G38 VanDerWaalsContact C-N 3.29Å; F36-G38 PolarHBondContact O-N 2.92Å; G38-M42 PolarHBondContact O-N 3.19Å; G38-Q138 WeakPolarHBondContact O-CG 3.42Å |
| 39 | W | 90 | Very high | 88.1 | Confident | 79 Ų | 79 | 63.4 Ų | 63.4 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.5 | -35.2 | 175.9 | -78.7 | 109.3 | 0 | 0 | 0 | 113.6 | F35 F36 I41 M42 I43 V64 T67 | F35-W39 AromaticContact CD1-CD1 3.85Å; F35-W39 AromaticContact CE1-CD1 3.45Å; F35-W39 VanDerWaalsContact CE1-CD1 3.45Å; F35-W39 AromaticContact CE1-NE1 3.45Å; F35-W39 AromaticContact CE2-NE1 3.57Å; F35-W39 AromaticContact CZ-CD1 3.58Å; F35-W39 AromaticContact CZ-NE1 3.08Å; F35-W39 PolarHBondContact O-N 3.28Å; F36-W39 PolarHBondContact O-N 3.45Å; W39-I41 VanDerWaalsContact C-N 3.32Å; W39-I41 PolarHBondContact O-N 2.88Å; W39-M42 PolarHBondContact O-N 2.93Å; W39-M42 VanDerWaalsContact O-N 3.16Å; W39-I43 WeakPolarHBondContact O-CG1 3.06Å; W39-I43 PolarHBondContact O-N 3.05Å; W39-V64 HydrophobicContact CH2-CG2 4.14Å; W39-T67 VanDerWaalsContact CE2-CG2 3.49Å; W39-T67 HydrophobicContact CH2-CG2 4.28Å; W39-T67 HydrophobicContact CZ2-CG2 3.2Å |
| 40 | W | 90.1 | Very high | 86.8 | Confident | 154 Ų | 154 | 63.2 Ų | 63.2 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.3 | -46.6 | 175.7 | -175.9 | -90.9 | 0 | 0 | 0 | 111.5 | F36 T37 M42 I43 D44 | F36-W40 HydrophobicContact CE1-CE3 4.21Å; F36-W40 HydrophobicContact CE2-CE3 4.47Å; F36-W40 HydrophobicContact CZ-CD2 4.49Å; F36-W40 AromaticContact CZ-CE3 3.71Å; F36-W40 HydrophobicContact CZ-CE3 3.71Å; F36-W40 HydrophobicContact CZ-CZ3 4.25Å; F36-W40 WeakPolarHBondContact O-CB 3.42Å; F36-W40 PolarHBondContact O-N 3.44Å; T37-W40 PolarHBondContact O-N 3.26Å; W40-M42 VanDerWaalsContact C-N 3.26Å; W40-M42 PolarHBondContact O-N 3.23Å; W40-I43 PolarHBondContact O-N 3.26Å; W40-I43 VanDerWaalsContact O-N 3.15Å; W40-D44 PolarHBondContact O-N 3.45Å |
| 41 | I | 87.5 | Confident | 85.4 | Confident | 46 Ų | 46 | 64 Ų | 64 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.4 | -36.2 | 177.7 | -70.9 | 166.1 | 0 | 0 | 0 | 111.7 | T37 W39 A45 A134 F137 F141 | T37-I41 VanDerWaalsContact O-CG1 3.3Å; T37-I41 WeakPolarHBondContact O-CG1 3.15Å; T37-I41 PolarHBondContact O-N 3.18Å; W39-I41 VanDerWaalsContact C-N 3.32Å; W39-I41 PolarHBondContact O-N 2.88Å; I41-A45 WeakPolarHBondContact O-CB 3.45Å; I41-A45 PolarHBondContact O-N 3.44Å; I41-A134 HydrophobicContact CG2-CB 3.92Å; I41-F137 HydrophobicContact CD1-CB 4.29Å; I41-F141 HydrophobicContact CD1-CD2 3.69Å; I41-F141 HydrophobicContact CD1-CE2 3.34Å; I41-F141 HydrophobicContact CD1-CZ 4.47Å |
| 42 | M | 84.7 | Confident | 83.7 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.3 | -38.5 | 175.3 | -79.2 | -52.4 | -71.4 | 0 | 0 | 113.9 | G38 W39 W40 D44 A45 A46 H60 V135 Q138 | G38-M42 PolarHBondContact O-N 3.19Å; W39-M42 PolarHBondContact O-N 2.93Å; W39-M42 VanDerWaalsContact O-N 3.16Å; W40-M42 VanDerWaalsContact C-N 3.26Å; W40-M42 PolarHBondContact O-N 3.23Å; M42-D44 VanDerWaalsContact C-N 3.32Å; M42-A45 PolarHBondContact O-N 2.88Å; M42-A46 VanDerWaalsContact O-CB 3.29Å; M42-A46 WeakPolarHBondContact O-CB 3.34Å; M42-A46 PolarHBondContact O-N 2.73Å; M42-H60 VanDerWaalsContact CE-CE1 3.43Å; M42-H60 WeakPolarHBondContact CE-CE1 3.45Å; M42-H60 WeakPolarHBondContact CE-ND1 3.39Å; M42-V135 HydrophobicContact CE-CG2 4.18Å; M42-V135 HydrophobicContact SD-CG2 4.14Å; M42-Q138 HydrophobicContact CG-CB 3.73Å; M42-Q138 HydrophobicContact CG-CG 3.63Å; M42-Q138 VanDerWaalsContact CG-NE2 3.28Å; M42-Q138 HydrophobicContact SD-CB 4.04Å; M42-Q138 HydrophobicContact SD-CG 4.45Å; M42-Q138 PolarHBondContact SD-OE1 3.16Å |
| 43 | I | 85.9 | Confident | 82 | Confident | 102 Ų | 102 | 73.2 Ų | 73.2 | 52% | 0.523 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 177.3 | -66.3 | 167.4 | 0 | 0 | 0 | 109 | W39 W40 A45 A46 V47 | W39-I43 WeakPolarHBondContact O-CG1 3.06Å; W39-I43 PolarHBondContact O-N 3.05Å; W40-I43 PolarHBondContact O-N 3.26Å; W40-I43 VanDerWaalsContact O-N 3.15Å; I43-A45 PolarHBondContact O-N 3.49Å; I43-A46 PolarHBondContact O-N 3.35Å; I43-V47 WeakPolarHBondContact O-CG2 3.45Å; I43-V47 PolarHBondContact O-N 3.38Å |
| 44 | D | 87.1 | Confident | 80.2 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.2 | -48.1 | 175.2 | -171.4 | 68.8 | 0 | 0 | 0 | 111.7 | W40 M42 A46 V47 M48 | W40-D44 PolarHBondContact O-N 3.45Å; M42-D44 VanDerWaalsContact C-N 3.32Å; D44-A46 VanDerWaalsContact C-N 3.34Å; D44-A46 PolarHBondContact O-N 3.04Å; D44-V47 PolarHBondContact O-N 2.96Å; D44-M48 WeakPolarHBondContact O-CB 3.43Å; D44-M48 PolarHBondContact O-N 3.2Å |
| 45 | A | 83.1 | Confident | 78.5 | Confident | 6 Ų | 6 | 72.1 Ų | 72.1 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I41 M42 I43 V47 M48 Y49 A134 | I41-A45 WeakPolarHBondContact O-CB 3.45Å; I41-A45 PolarHBondContact O-N 3.44Å; M42-A45 PolarHBondContact O-N 2.88Å; I43-A45 PolarHBondContact O-N 3.49Å; A45-V47 VanDerWaalsContact C-N 3.34Å; A45-M48 PolarHBondContact O-N 3.3Å; A45-Y49 WeakPolarHBondContact O-CD2 3.42Å; A45-Y49 PolarHBondContact O-N 2.88Å; A45-A134 HydrophobicContact CB-CB 3.5Å; A45-A134 VanDerWaalsContact CB-CB 3.5Å |
| 46 | A | 81.4 | Confident | 77.1 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 31% | 0.314 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.8 | -32.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | M42 I43 D44 M55 | M42-A46 VanDerWaalsContact O-CB 3.29Å; M42-A46 WeakPolarHBondContact O-CB 3.34Å; M42-A46 PolarHBondContact O-N 2.73Å; I43-A46 PolarHBondContact O-N 3.35Å; D44-A46 VanDerWaalsContact C-N 3.34Å; D44-A46 PolarHBondContact O-N 3.04Å; A46-M55 HydrophobicContact CB-CE 4.08Å |
| 47 | V | 82.1 | Confident | 75.5 | Confident | 114 Ų | 114 | 73.3 Ų | 73.3 | 69% | 0.691 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -74.6 | -40.2 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 111 | I43 D44 A45 | I43-V47 WeakPolarHBondContact O-CG2 3.45Å; I43-V47 PolarHBondContact O-N 3.38Å; D44-V47 PolarHBondContact O-N 2.96Å; A45-V47 VanDerWaalsContact C-N 3.34Å |
| 48 | M | 79.5 | Confident | 74.1 | Confident | 126 Ų | 126 | 74 Ų | 74 | 62% | 0.621 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.8 | -32.2 | -178.6 | -170.3 | 64.6 | 179 | 0 | 0 | 113 | D44 A45 P50 | D44-M48 WeakPolarHBondContact O-CB 3.43Å; D44-M48 PolarHBondContact O-N 3.2Å; A45-M48 PolarHBondContact O-N 3.3Å; M48-P50 VanDerWaalsContact C-CD 3.48Å; M48-P50 WeakPolarHBondContact O-CD 3.48Å |
| 49 | Y | 72.6 | Confident | 73.1 | Confident | 45 Ų | 45 | 75.9 Ų | 75.9 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | trans | -124.6 | 71.4 | -176.9 | -57.6 | -74.7 | 0 | 0 | 0 | 112.1 | A45 T51 I54 A130 P131 | A45-Y49 WeakPolarHBondContact O-CD2 3.42Å; A45-Y49 PolarHBondContact O-N 2.88Å; Y49-T51 VanDerWaalsContact C-N 3.28Å; Y49-T51 PolarHBondContact O-N 3.47Å; Y49-I54 HydrophobicContact CD1-CG2 3.89Å; Y49-I54 HydrophobicContact CG-CG2 4.46Å; Y49-A130 HydrophobicContact CE2-CB 3.99Å; Y49-A130 WeakPolarHBondContact OH-CB 3.12Å; Y49-P131 HydrophobicContact CD2-CB 4.37Å | ||
| 50 | P | 63.7 | Low | 72.3 | Confident | 98 Ų | 98 | 74.5 Ų | 74.5 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | trans | -74.1 | -14.8 | -175.9 | 29.5 | -35.4 | 0 | 0 | 0 | 114.1 | M48 | M48-P50 VanDerWaalsContact C-CD 3.48Å; M48-P50 WeakPolarHBondContact O-CD 3.48Å | ||
| 51 | T | 62.6 | Low | 71.8 | Confident | 76 Ų | 76 | 70.6 Ų | 70.6 | 47% | 0.466 | 39% | 0.385 | S | S | . | . | trans | -85.7 | 126.8 | -176.1 | 16.1 | 0 | 0 | 0 | 0 | 112.6 | Y49 D53 I54 M55 | Y49-T51 VanDerWaalsContact C-N 3.28Å; Y49-T51 PolarHBondContact O-N 3.47Å; T51-D53 PolarHBondContact O-N 2.9Å; T51-D53 VanDerWaalsContact O-N 3.15Å; T51-I54 PolarHBondContact O-N 3.43Å; T51-I54 WeakPolarHBondContact OG1-CD1 3.24Å; T51-M55 PolarHBondContact O-N 3.3Å; T51-M55 VanDerWaalsContact O-N 3.16Å | ||
| 52 | Q | 57.7 | Low | 71.6 | Confident | 86 Ų | 86 | 69 Ų | 69 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25 | -179 | -67.4 | -61.7 | -65.9 | 0 | 0 | 114.8 | I54 M55 H57 | Q52-I54 PolarHBondContact O-N 3.02Å; Q52-M55 CarbonylContact O-C 3.58Å; Q52-H57 VanDerWaalsContact CD-ND1 3.28Å; Q52-H57 PolarHBondContact NE2-CD2 2.96Å; Q52-H57 PolarHBondContact NE2-CE1 3.04Å; Q52-H57 PolarHBondContact NE2-ND1 2.84Å; Q52-H57 PolarHBondContact NE2-NE2 3.35Å; Q52-H57 PolarHBondContact OE1-CE1 3.48Å; Q52-H57 VanDerWaalsContact OE1-CG 3.23Å; Q52-H57 PolarHBondContact OE1-ND1 3.47Å |
| 53 | D | 54.8 | Low | 71.7 | Confident | 146 Ų | 146 | 68.8 Ų | 68.8 | 78% | 0.781 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -22 | 176.4 | -83.2 | -59.8 | 0 | 0 | 0 | 113.4 | T51 | T51-D53 PolarHBondContact O-N 2.9Å; T51-D53 VanDerWaalsContact O-N 3.15Å |
| 54 | I | 57.1 | Low | 71.8 | Confident | 60 Ų | 60 | 67 Ų | 67 | 31% | 0.308 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -38.6 | -174.9 | -47.4 | 179.4 | 0 | 0 | 0 | 110.1 | Y49 T51 Q52 Y122 P131 | Y49-I54 HydrophobicContact CD1-CG2 3.89Å; Y49-I54 HydrophobicContact CG-CG2 4.46Å; T51-I54 PolarHBondContact O-N 3.43Å; T51-I54 WeakPolarHBondContact OG1-CD1 3.24Å; Q52-I54 PolarHBondContact O-N 3.02Å; I54-Y122 WeakPolarHBondContact O-CE1 3.25Å; I54-Y122 PolarHBondContact O-OH 3.35Å; I54-P131 HydrophobicContact CG2-CG 4.39Å |
| 55 | M | 57.5 | Low | 72 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -131.7 | 100.5 | 174.5 | -167.7 | 178.5 | 63.6 | 0 | 0 | 110.3 | A46 T51 Q52 H57 H60 | A46-M55 HydrophobicContact CB-CE 4.08Å; T51-M55 PolarHBondContact O-N 3.3Å; T51-M55 VanDerWaalsContact O-N 3.16Å; Q52-M55 CarbonylContact O-C 3.58Å; M55-H57 PolarHBondContact O-N 3.47Å; M55-H60 WeakPolarHBondContact CE-NE2 3.36Å |
| 56 | N | 64 | Low | 72.3 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | trans | -67.1 | 131.5 | 176 | -167.4 | -35.9 | 0 | 0 | 0 | 108.9 | S58 F59 | N56-S58 PolarHBondContact O-N 2.86Å; N56-S58 WeakPolarHBondContact OD1-CB 3.23Å; N56-S58 PolarHBondContact OD1-N 2.88Å; N56-S58 VanDerWaalsContact OD1-N 3.16Å; N56-S58 PolarHBondContact OD1-OG 2.62Å; N56-S58 VanDerWaalsContact OD1-OG 3.05Å; N56-F59 HydrophobicContact CB-CD2 3.96Å; N56-F59 HydrophobicContact CB-CE2 3.8Å; N56-F59 HydrophobicContact CB-CZ 4.35Å; N56-F59 PolarHBondContact O-N 3.33Å | ||
| 57 | H | 60.7 | Low | 72.9 | Confident | 117 Ų | 117 | 65.5 Ų | 65.5 | 54% | 0.542 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -24.7 | 177.5 | -76 | 140.4 | 0 | 0 | 0 | 113.5 | Q52 M55 F59 H60 | Q52-H57 VanDerWaalsContact CD-ND1 3.28Å; Q52-H57 PolarHBondContact NE2-CD2 2.96Å; Q52-H57 PolarHBondContact NE2-CE1 3.04Å; Q52-H57 PolarHBondContact NE2-ND1 2.84Å; Q52-H57 PolarHBondContact NE2-NE2 3.35Å; Q52-H57 PolarHBondContact OE1-CE1 3.48Å; Q52-H57 VanDerWaalsContact OE1-CG 3.23Å; Q52-H57 PolarHBondContact OE1-ND1 3.47Å; M55-H57 PolarHBondContact O-N 3.47Å; H57-F59 PolarHBondContact O-N 3.45Å; H57-H60 PolarHBondContact O-N 3.22Å |
| 58 | S | 63.3 | Low | 73.4 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 46% | 0.462 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.7 | -29.7 | 173.6 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | N56 H60 T61 | N56-S58 PolarHBondContact O-N 2.86Å; N56-S58 WeakPolarHBondContact OD1-CB 3.23Å; N56-S58 PolarHBondContact OD1-N 2.88Å; N56-S58 VanDerWaalsContact OD1-N 3.16Å; N56-S58 PolarHBondContact OD1-OG 2.62Å; N56-S58 VanDerWaalsContact OD1-OG 3.05Å; S58-H60 VanDerWaalsContact C-N 3.33Å; S58-H60 PolarHBondContact O-N 3.19Å; S58-T61 WeakPolarHBondContact O-CB 3.46Å; S58-T61 WeakPolarHBondContact O-CG2 3.41Å; S58-T61 PolarHBondContact O-N 3.45Å; S58-T61 PolarHBondContact O-OG1 3.44Å |
| 59 | F | 68.9 | Low | 74 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 18% | 0.18 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.4 | -23.4 | -178.7 | -59.1 | -41.7 | 0 | 0 | 0 | 113.6 | N56 H57 T61 C62 I117 A121 Y122 V135 | N56-F59 HydrophobicContact CB-CD2 3.96Å; N56-F59 HydrophobicContact CB-CE2 3.8Å; N56-F59 HydrophobicContact CB-CZ 4.35Å; N56-F59 PolarHBondContact O-N 3.33Å; H57-F59 PolarHBondContact O-N 3.45Å; F59-T61 PolarHBondContact O-N 2.87Å; F59-C62 PolarHBondContact O-N 3.1Å; F59-I117 HydrophobicContact CD1-CB 4.49Å; F59-I117 HydrophobicContact CD1-CD1 3.64Å; F59-I117 HydrophobicContact CD1-CG1 3.87Å; F59-I117 HydrophobicContact CD1-CG2 3.77Å; F59-I117 HydrophobicContact CE1-CB 4.5Å; F59-I117 HydrophobicContact CE1-CD1 4.18Å; F59-I117 HydrophobicContact CE1-CG1 3.9Å; F59-I117 HydrophobicContact CE1-CG2 3.83Å; F59-I117 HydrophobicContact CG-CG2 4.15Å; F59-I117 HydrophobicContact CZ-CG2 4.25Å; F59-A121 HydrophobicContact CZ-CB 4.15Å; F59-Y122 HydrophobicContact CD2-CE2 4.36Å; F59-Y122 WeakPolarHBondContact CD2-OH 3.11Å; F59-Y122 HydrophobicContact CE2-CE2 4.05Å; F59-Y122 AromaticContact CE2-CZ 3.98Å; F59-Y122 WeakPolarHBondContact CE2-OH 3.29Å; F59-V135 HydrophobicContact CB-CG2 4.15Å |
| 60 | H | 74.7 | Confident | 74.9 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -27.6 | 171.1 | -67.6 | -71.5 | 0 | 0 | 0 | 112.5 | M42 M55 H57 S58 C62 G63 V64 | M42-H60 VanDerWaalsContact CE-CE1 3.43Å; M42-H60 WeakPolarHBondContact CE-CE1 3.45Å; M42-H60 WeakPolarHBondContact CE-ND1 3.39Å; M55-H60 WeakPolarHBondContact CE-NE2 3.36Å; H57-H60 PolarHBondContact O-N 3.22Å; S58-H60 VanDerWaalsContact C-N 3.33Å; S58-H60 PolarHBondContact O-N 3.19Å; H60-C62 VanDerWaalsContact C-N 3.26Å; H60-C62 PolarHBondContact O-N 3.46Å; H60-G63 PolarHBondContact O-N 3.07Å; H60-V64 WeakPolarHBondContact O-CG2 3.46Å; H60-V64 PolarHBondContact O-N 2.9Å; H60-V64 VanDerWaalsContact O-N 3.14Å |
| 61 | T | 78.2 | Confident | 76.2 | Confident | 73 Ų | 73 | 57.8 Ų | 57.8 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62 | -35.4 | -178.3 | 68.1 | 0 | 0 | 0 | 0 | 112 | S58 F59 G63 V64 F65 | S58-T61 WeakPolarHBondContact O-CB 3.46Å; S58-T61 WeakPolarHBondContact O-CG2 3.41Å; S58-T61 PolarHBondContact O-N 3.45Å; S58-T61 PolarHBondContact O-OG1 3.44Å; F59-T61 PolarHBondContact O-N 2.87Å; T61-G63 PolarHBondContact O-N 3.32Å; T61-V64 WeakPolarHBondContact O-CB 3.43Å; T61-V64 PolarHBondContact O-N 3.41Å; T61-V64 VanDerWaalsContact O-N 3.16Å; T61-F65 WeakPolarHBondContact O-CD2 2.99Å; T61-F65 PolarHBondContact O-N 2.88Å |
| 62 | C | 84.8 | Confident | 77.5 | Confident | 12 Ų | 12 | 55 Ų | 55 | 8% | 0.081 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 178.4 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | F59 H60 V64 F65 S66 S110 I117 N139 | F59-C62 PolarHBondContact O-N 3.1Å; H60-C62 VanDerWaalsContact C-N 3.26Å; H60-C62 PolarHBondContact O-N 3.46Å; C62-V64 PolarHBondContact O-N 3.42Å; C62-F65 PolarHBondContact O-N 3.39Å; C62-S66 PolarHBondContact O-N 2.96Å; C62-S66 VanDerWaalsContact O-N 3.08Å; C62-S110 PolarHBondContact SG-O 2.88Å; C62-I117 HydrophobicContact CB-CD1 4.33Å; C62-N139 PolarHBondContact O-OD1 3.49Å; C62-N139 PolarHBondContact SG-ND2 2.92Å; C62-N139 VanDerWaalsContact SG-ND2 3.42Å |
| 63 | G | 85.9 | Confident | 79 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H60 T61 S66 T67 | H60-G63 PolarHBondContact O-N 3.07Å; T61-G63 PolarHBondContact O-N 3.32Å; G63-S66 WeakPolarHBondContact O-CB 3.49Å; G63-S66 PolarHBondContact O-N 3.49Å; G63-T67 VanDerWaalsContact O-CG2 3.22Å; G63-T67 WeakPolarHBondContact O-CG2 3.28Å; G63-T67 PolarHBondContact O-N 3.02Å |
| 64 | V | 88.7 | Confident | 80.5 | Confident | 64 Ų | 64 | 45.1 Ų | 45.1 | 39% | 0.388 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 177.1 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | W39 H60 T61 C62 S66 T67 I68 | W39-V64 HydrophobicContact CH2-CG2 4.14Å; H60-V64 WeakPolarHBondContact O-CG2 3.46Å; H60-V64 PolarHBondContact O-N 2.9Å; H60-V64 VanDerWaalsContact O-N 3.14Å; T61-V64 WeakPolarHBondContact O-CB 3.43Å; T61-V64 PolarHBondContact O-N 3.41Å; T61-V64 VanDerWaalsContact O-N 3.16Å; C62-V64 PolarHBondContact O-N 3.42Å; V64-S66 VanDerWaalsContact C-N 3.3Å; V64-S66 PolarHBondContact O-N 3.05Å; V64-T67 PolarHBondContact O-N 2.66Å; V64-T67 PolarHBondContact O-OG1 3.14Å; V64-I68 HydrophobicContact CG1-CD1 4.04Å; V64-I68 HydrophobicContact CG1-CG1 4.5Å; V64-I68 WeakPolarHBondContact O-CG1 3.42Å; V64-I68 PolarHBondContact O-N 3.05Å |
| 65 | F | 90.1 | Very high | 81.8 | Confident | 103 Ų | 103 | 46.1 Ų | 46.1 | 45% | 0.452 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 176 | -77.4 | -67.1 | 0 | 0 | 0 | 112.2 | T61 C62 T67 I68 A69 M106 S110 | T61-F65 WeakPolarHBondContact O-CD2 2.99Å; T61-F65 PolarHBondContact O-N 2.88Å; C62-F65 PolarHBondContact O-N 3.39Å; F65-T67 VanDerWaalsContact C-N 3.25Å; F65-T67 PolarHBondContact O-N 3.16Å; F65-I68 PolarHBondContact O-N 3.03Å; F65-A69 WeakPolarHBondContact O-CB 3.16Å; F65-A69 PolarHBondContact O-N 3.46Å; F65-M106 HydrophobicContact CB-CG 4.31Å; F65-M106 HydrophobicContact CD1-CG 4.4Å; F65-M106 HydrophobicContact CD1-SD 4.04Å; F65-S110 VanDerWaalsContact CB-OG 3.3Å; F65-S110 WeakPolarHBondContact CB-OG 3.18Å |
| 66 | S | 90.1 | Very high | 82.9 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.8 | -35.2 | 174.1 | -167.7 | 0 | 0 | 0 | 0 | 112.3 | C62 G63 V64 A69 F70 N139 I142 | C62-S66 PolarHBondContact O-N 2.96Å; C62-S66 VanDerWaalsContact O-N 3.08Å; G63-S66 WeakPolarHBondContact O-CB 3.49Å; G63-S66 PolarHBondContact O-N 3.49Å; V64-S66 VanDerWaalsContact C-N 3.3Å; V64-S66 PolarHBondContact O-N 3.05Å; S66-A69 PolarHBondContact O-N 3.5Å; S66-F70 WeakPolarHBondContact O-CB 3.4Å; S66-F70 PolarHBondContact O-N 3.31Å; S66-N139 WeakPolarHBondContact CB-OD1 3.46Å; S66-I142 VanDerWaalsContact OG-CG2 3.3Å; S66-I142 WeakPolarHBondContact OG-CG2 3.28Å |
| 67 | T | 92.9 | Very high | 83.4 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 8% | 0.08 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.3 | -38.6 | 177.8 | 65.5 | 0 | 0 | 0 | 0 | 114 | F35 W39 G63 V64 F65 A69 F70 F71 I142 | F35-T67 HydrophobicContact CE2-CG2 3.72Å; F35-T67 HydrophobicContact CZ-CG2 4.06Å; W39-T67 VanDerWaalsContact CE2-CG2 3.49Å; W39-T67 HydrophobicContact CH2-CG2 4.28Å; W39-T67 HydrophobicContact CZ2-CG2 3.2Å; G63-T67 VanDerWaalsContact O-CG2 3.22Å; G63-T67 WeakPolarHBondContact O-CG2 3.28Å; G63-T67 PolarHBondContact O-N 3.02Å; V64-T67 PolarHBondContact O-N 2.66Å; V64-T67 PolarHBondContact O-OG1 3.14Å; F65-T67 VanDerWaalsContact C-N 3.25Å; F65-T67 PolarHBondContact O-N 3.16Å; T67-A69 VanDerWaalsContact C-N 3.27Å; T67-A69 PolarHBondContact O-N 3.25Å; T67-F70 WeakPolarHBondContact O-CB 3.49Å; T67-F70 PolarHBondContact O-N 3.44Å; T67-F71 WeakPolarHBondContact O-CD2 3.33Å; T67-F71 PolarHBondContact O-N 3.21Å; T67-I142 HydrophobicContact CG2-CD1 3.54Å; T67-I142 HydrophobicContact CG2-CG2 4.28Å |
| 68 | I | 93.1 | Very high | 83.7 | Confident | 74 Ų | 74 | 40.8 Ų | 40.8 | 38% | 0.379 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 171.6 | -66.1 | 169 | 0 | 0 | 0 | 108.5 | V64 F65 F70 F71 M72 M106 | V64-I68 HydrophobicContact CG1-CD1 4.04Å; V64-I68 HydrophobicContact CG1-CG1 4.5Å; V64-I68 WeakPolarHBondContact O-CG1 3.42Å; V64-I68 PolarHBondContact O-N 3.05Å; F65-I68 PolarHBondContact O-N 3.03Å; I68-F70 VanDerWaalsContact C-N 3.33Å; I68-F70 PolarHBondContact O-N 2.89Å; I68-F71 PolarHBondContact O-N 2.6Å; I68-M72 HydrophobicContact CG2-CG 4.3Å; I68-M72 HydrophobicContact CG2-SD 3.92Å; I68-M72 VanDerWaalsContact O-CG 3.29Å; I68-M72 WeakPolarHBondContact O-CG 3.5Å; I68-M72 PolarHBondContact O-N 3.23Å; I68-M106 HydrophobicContact CB-SD 4.19Å; I68-M106 HydrophobicContact CG2-SD 3.94Å |
| 69 | A | 92 | Very high | 83.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F65 S66 T67 F71 M72 I73 G103 M106 M107 | F65-A69 WeakPolarHBondContact O-CB 3.16Å; F65-A69 PolarHBondContact O-N 3.46Å; S66-A69 PolarHBondContact O-N 3.5Å; T67-A69 VanDerWaalsContact C-N 3.27Å; T67-A69 PolarHBondContact O-N 3.25Å; A69-F71 PolarHBondContact O-N 3.41Å; A69-M72 PolarHBondContact O-N 3.01Å; A69-I73 WeakPolarHBondContact O-CB 3.23Å; A69-I73 WeakPolarHBondContact O-CD1 3.37Å; A69-I73 VanDerWaalsContact O-CG1 3.28Å; A69-I73 WeakPolarHBondContact O-CG1 3.49Å; A69-I73 PolarHBondContact O-N 3.48Å; A69-G103 WeakPolarHBondContact CB-O 3.25Å; A69-M106 HydrophobicContact CB-CB 4.01Å; A69-M106 HydrophobicContact CB-CG 4.03Å; A69-M106 HydrophobicContact CB-SD 4.22Å; A69-M107 HydrophobicContact CB-CB 3.81Å; A69-M107 HydrophobicContact CB-CE 3.98Å |
| 70 | F | 92.1 | Very high | 83.4 | Confident | 21 Ų | 21 | 41 Ų | 41 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.5 | -50.7 | 172.6 | 171.7 | -85.9 | 0 | 0 | 0 | 111.2 | F35 S66 T67 I68 N74 M107 I142 S145 | F35-F70 HydrophobicContact CD2-CD1 4.32Å; F35-F70 HydrophobicContact CD2-CD2 4.4Å; F35-F70 HydrophobicContact CD2-CE1 4.48Å; F35-F70 HydrophobicContact CD2-CG 4.31Å; F35-F70 HydrophobicContact CE2-CD1 4.17Å; F35-F70 HydrophobicContact CE2-CG 4.34Å; S66-F70 WeakPolarHBondContact O-CB 3.4Å; S66-F70 PolarHBondContact O-N 3.31Å; T67-F70 WeakPolarHBondContact O-CB 3.49Å; T67-F70 PolarHBondContact O-N 3.44Å; I68-F70 VanDerWaalsContact C-N 3.33Å; I68-F70 PolarHBondContact O-N 2.89Å; F70-N74 WeakPolarHBondContact CD2-ND2 3.46Å; F70-N74 WeakPolarHBondContact CE2-ND2 3.45Å; F70-N74 VanDerWaalsContact CZ-ND2 3.28Å; F70-N74 WeakPolarHBondContact CZ-ND2 3.49Å; F70-N74 VanDerWaalsContact O-CB 3.27Å; F70-N74 WeakPolarHBondContact O-CB 3.15Å; F70-N74 PolarHBondContact O-N 3.34Å; F70-N74 PolarHBondContact O-ND2 3.01Å; F70-M107 HydrophobicContact CB-CE 4.16Å; F70-I142 HydrophobicContact CB-CG2 4.05Å; F70-S145 WeakPolarHBondContact CE2-OG 3.35Å |
| 71 | F | 90.9 | Very high | 82.8 | Confident | 125 Ų | 125 | 41 Ų | 41 | 55% | 0.548 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 177.7 | -73.3 | -65.6 | 0 | 0 | 0 | 112 | F35 T67 I68 A69 I73 N74 A75 | F35-F71 HydrophobicContact CZ-CE2 4.5Å; T67-F71 WeakPolarHBondContact O-CD2 3.33Å; T67-F71 PolarHBondContact O-N 3.21Å; I68-F71 PolarHBondContact O-N 2.6Å; A69-F71 PolarHBondContact O-N 3.41Å; F71-I73 PolarHBondContact O-N 3.4Å; F71-N74 PolarHBondContact O-N 2.93Å; F71-A75 WeakPolarHBondContact O-CB 3.22Å; F71-A75 PolarHBondContact O-N 3.1Å |
| 72 | M | 89.4 | Confident | 82 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 179 | -71.8 | 178.8 | 71.9 | 0 | 0 | 112.5 | I68 A69 W99 I102 M106 | I68-M72 HydrophobicContact CG2-CG 4.3Å; I68-M72 HydrophobicContact CG2-SD 3.92Å; I68-M72 VanDerWaalsContact O-CG 3.29Å; I68-M72 WeakPolarHBondContact O-CG 3.5Å; I68-M72 PolarHBondContact O-N 3.23Å; A69-M72 PolarHBondContact O-N 3.01Å; M72-W99 HydrophobicContact CE-CD2 3.9Å; M72-W99 HydrophobicContact CE-CE3 4.21Å; M72-W99 HydrophobicContact CE-CG 4.43Å; M72-W99 HydrophobicContact CE-CH2 4.19Å; M72-W99 HydrophobicContact CE-CZ2 3.87Å; M72-W99 HydrophobicContact CE-CZ3 4.35Å; M72-W99 HydrophobicContact CG-CZ2 3.83Å; M72-W99 PolarHBondContact O-NE1 3.32Å; M72-W99 HydrophobicContact SD-CZ2 4.45Å; M72-I102 HydrophobicContact CE-CB 4.27Å; M72-I102 HydrophobicContact CE-CG2 3.86Å; M72-M106 HydrophobicContact SD-CE 4.35Å; M72-M106 HydrophobicContact SD-SD 4.44Å |
| 73 | I | 89.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.4 | -42.4 | -179.4 | -68.1 | 163.4 | 0 | 0 | 0 | 110.7 | A69 F71 L100 F104 M107 K150 | A69-I73 WeakPolarHBondContact O-CB 3.23Å; A69-I73 WeakPolarHBondContact O-CD1 3.37Å; A69-I73 VanDerWaalsContact O-CG1 3.28Å; A69-I73 WeakPolarHBondContact O-CG1 3.49Å; A69-I73 PolarHBondContact O-N 3.48Å; F71-I73 PolarHBondContact O-N 3.4Å; I73-L100 HydrophobicContact CG2-CD2 4.38Å; I73-F104 HydrophobicContact CD1-CD1 3.66Å; I73-F104 HydrophobicContact CD1-CE1 3.92Å; I73-F104 HydrophobicContact CD1-CG 4.18Å; I73-F104 HydrophobicContact CG1-CD1 4.3Å; I73-F104 HydrophobicContact CG1-CE1 4.45Å; I73-F104 HydrophobicContact CG1-CG 4.44Å; I73-F104 HydrophobicContact CG2-CE1 4.22Å; I73-F104 HydrophobicContact CG2-CZ 4.11Å; I73-M107 HydrophobicContact CD1-CB 4.05Å; I73-M107 HydrophobicContact CD1-CE 3.66Å; I73-M107 HydrophobicContact CD1-CG 4.44Å; I73-M107 HydrophobicContact CD1-SD 3.48Å; I73-M107 WeakPolarHBondContact CD1-SD 3.41Å; I73-K150 HydrophobicContact CG2-CB 4.16Å; I73-K150 HydrophobicContact CG2-CD 4.01Å; I73-K150 HydrophobicContact CG2-CG 3.95Å; I73-K150 PolarHBondContact O-NZ 3.4Å |
| 74 | N | 87.3 | Confident | 79.3 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -83.4 | -18.8 | -174.1 | -68.5 | -41.3 | 0 | 0 | 0 | 114.1 | F70 F71 V76 S146 Y149 K150 | F70-N74 WeakPolarHBondContact CD2-ND2 3.46Å; F70-N74 WeakPolarHBondContact CE2-ND2 3.45Å; F70-N74 VanDerWaalsContact CZ-ND2 3.28Å; F70-N74 WeakPolarHBondContact CZ-ND2 3.49Å; F70-N74 VanDerWaalsContact O-CB 3.27Å; F70-N74 WeakPolarHBondContact O-CB 3.15Å; F70-N74 PolarHBondContact O-N 3.34Å; F70-N74 PolarHBondContact O-ND2 3.01Å; F71-N74 PolarHBondContact O-N 2.93Å; N74-V76 VanDerWaalsContact C-N 3.32Å; N74-S146 PolarHBondContact OD1-O 3.46Å; N74-Y149 HydrophobicContact CB-CD1 3.61Å; N74-Y149 HydrophobicContact CB-CE1 3.87Å; N74-Y149 VanDerWaalsContact OD1-CD1 3.22Å; N74-Y149 WeakPolarHBondContact OD1-CD1 3.48Å; N74-K150 PolarHBondContact OD1-N 3.31Å |
| 75 | A | 84.8 | Confident | 77.6 | Confident | 81 Ų | 81 | 50.4 Ų | 50.4 | 67% | 0.669 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -72 | -24.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F71 | F71-A75 WeakPolarHBondContact O-CB 3.22Å; F71-A75 PolarHBondContact O-N 3.1Å |
| 76 | V | 80.8 | Confident | 75.7 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -85.9 | 121.4 | 178.4 | -177 | 0 | 0 | 0 | 0 | 109.8 | N74 Q80 V81 A96 W99 L100 K150 | N74-V76 VanDerWaalsContact C-N 3.32Å; V76-Q80 HydrophobicContact CG1-CB 4.39Å; V76-V81 HydrophobicContact CG1-CG2 4.08Å; V76-A96 HydrophobicContact CG1-CB 4.34Å; V76-W99 HydrophobicContact CG2-CG 4.47Å; V76-L100 HydrophobicContact CB-CD1 4.2Å; V76-L100 HydrophobicContact CB-CG 4.37Å; V76-L100 HydrophobicContact CG1-CD1 3.96Å; V76-K150 PolarHBondContact O-NZ 3.36Å |
| 77 | S | 73.1 | Confident | 73.9 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | trans | -65.8 | 144.9 | 173.4 | 145.8 | 0 | 0 | 0 | 0 | 111.5 | G79 Q80 E155 | S77-G79 PolarHBondContact O-N 2.98Å; S77-G79 PolarHBondContact OG-N 3.5Å; S77-G79 VanDerWaalsContact OG-N 3.16Å; S77-Q80 PolarHBondContact O-N 2.96Å; S77-E155 VanDerWaalsContact CA-OE1 3.23Å; S77-E155 WeakPolarHBondContact CA-OE1 3.16Å; S77-E155 WeakPolarHBondContact CB-OE1 3.26Å; S77-E155 VanDerWaalsContact OG-CD 3.28Å; S77-E155 PolarHBondContact OG-OE1 3.46Å; S77-E155 PolarHBondContact OG-OE2 3.47Å | ||
| 78 | N | 66.8 | Low | 72 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 20% | 0.198 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.8 | -32.3 | 176.3 | -73.6 | -41.6 | 0 | 0 | 0 | 111.9 | Q80 V81 R82 K150 E155 | N78-Q80 VanDerWaalsContact C-N 3.35Å; N78-Q80 PolarHBondContact O-N 2.89Å; N78-V81 WeakPolarHBondContact O-CB 3.47Å; N78-V81 PolarHBondContact O-N 2.9Å; N78-V81 VanDerWaalsContact O-N 3.16Å; N78-R82 PolarHBondContact O-N 3.42Å; N78-R82 VanDerWaalsContact O-N 3.16Å; N78-K150 PolarHBondContact ND2-O 3.26Å; N78-K150 WeakPolarHBondContact OD1-CE 3.06Å; N78-E155 WeakPolarHBondContact CA-OE2 3.43Å; N78-E155 VanDerWaalsContact N-CD 3.27Å; N78-E155 PolarHBondContact N-OE1 3.32Å; N78-E155 PolarHBondContact N-OE2 3.44Å |
| 79 | G | 63 | Low | 70 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 12% | 0.124 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S77 V81 R82 G83 D84 E155 | S77-G79 PolarHBondContact O-N 2.98Å; S77-G79 PolarHBondContact OG-N 3.5Å; S77-G79 VanDerWaalsContact OG-N 3.16Å; G79-V81 VanDerWaalsContact C-N 3.26Å; G79-V81 PolarHBondContact O-N 2.83Å; G79-R82 PolarHBondContact O-N 3.44Å; G79-G83 PolarHBondContact O-N 3.29Å; G79-D84 PolarHBondContact O-N 3.41Å; G79-E155 PolarHBondContact N-OE2 3.1Å |
| 80 | Q | 64.6 | Low | 68.1 | Low | 99 Ų | 99 | 74.9 Ų | 74.9 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.2 | -24.5 | 175.4 | -65.3 | -151.8 | -50.7 | 0 | 0 | 113.2 | V76 S77 N78 A96 | V76-Q80 HydrophobicContact CG1-CB 4.39Å; S77-Q80 PolarHBondContact O-N 2.96Å; N78-Q80 VanDerWaalsContact C-N 3.35Å; N78-Q80 PolarHBondContact O-N 2.89Å; Q80-A96 HydrophobicContact CB-CB 4.43Å |
| 81 | V | 62 | Low | 66.3 | Low | 49 Ų | 49 | 80.9 Ų | 80.9 | 30% | 0.297 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -78.7 | -43.7 | 176.8 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | V76 N78 G79 G83 R97 L100 | V76-V81 HydrophobicContact CG1-CG2 4.08Å; N78-V81 WeakPolarHBondContact O-CB 3.47Å; N78-V81 PolarHBondContact O-N 2.9Å; N78-V81 VanDerWaalsContact O-N 3.16Å; G79-V81 VanDerWaalsContact C-N 3.26Å; G79-V81 PolarHBondContact O-N 2.83Å; V81-G83 VanDerWaalsContact C-N 3.33Å; V81-R97 PolarHBondContact O-NH2 3.48Å; V81-R97 VanDerWaalsContact O-NH2 3.1Å; V81-L100 HydrophobicContact CG2-CD1 3.26Å |
| 82 | R | 60.5 | Low | 65.1 | Low | 173 Ų | 173 | 76.6 Ų | 76.6 | 65% | 0.653 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.2 | -36.7 | 177.9 | -72.1 | -179 | 170.2 | 179.4 | -3.1 | 111.6 | N78 G79 R93 | N78-R82 PolarHBondContact O-N 3.42Å; N78-R82 VanDerWaalsContact O-N 3.16Å; G79-R82 PolarHBondContact O-N 3.44Å; R82-R93 PolarHBondContact O-NH2 2.91Å |
| 83 | G | 58.1 | Low | 64 | Low | 25 Ų | 25 | 82 Ų | 82 | 26% | 0.258 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 27.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G79 V81 A85 | G79-G83 PolarHBondContact O-N 3.29Å; V81-G83 VanDerWaalsContact C-N 3.33Å; G83-A85 PolarHBondContact O-N 3.23Å |
| 84 | D | 56.1 | Low | 63.2 | Low | 86 Ų | 86 | 86.7 Ų | 86.7 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | trans | -83.9 | 5.8 | 177.2 | -56.3 | -37.1 | 0 | 0 | 0 | 112.3 | G79 Y86 L157 | G79-D84 PolarHBondContact O-N 3.41Å; D84-Y86 PolarHBondContact O-N 2.98Å; D84-L157 HydrophobicContact CB-CD2 3.75Å; D84-L157 WeakPolarHBondContact OD2-CD2 3.42Å | ||
| 85 | A | 53.8 | Low | 62.8 | Low | 62 Ų | 62 | 86.6 Ų | 86.6 | 51% | 0.512 | 50% | 0.498 | S | S | . | . | trans | -84.1 | 111.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G83 G87 | G83-A85 PolarHBondContact O-N 3.23Å; A85-G87 PolarHBondContact O-N 3.44Å | ||
| 86 | Y | 48.9 | Very low | 62.6 | Low | 246 Ų | 246 | 83.3 Ų | 83.3 | 97% | 0.965 | 47% | 0.471 | S | S | * | . | trans | -68.9 | 32.4 | 179.3 | -77.2 | -86.4 | 0 | 0 | 0 | 115.5 | D84 | D84-Y86 PolarHBondContact O-N 2.98Š| ||
| 87 | G | 52.1 | Low | 62.7 | Low | 55 Ų | 55 | 88.2 Ų | 88.2 | 57% | 0.567 | 49% | 0.488 | S | S | * | . | trans | -129.5 | 106 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | A85 G89 | A85-G87 PolarHBondContact O-N 3.44Å; G87-G89 PolarHBondContact O-N 3.49Å | ||
| 88 | E | 53.3 | Low | 63.3 | Low | 211 Ų | 211 | 90.8 Ų | 90.8 | 99% | 0.986 | 50% | 0.498 | S | S | * | . | trans | -69.2 | 87.4 | 163.8 | -75.3 | -172.2 | 143.6 | 0 | 0 | 110.4 | ||||
| 89 | G | 52.3 | Low | 64.2 | Low | 47 Ų | 47 | 95.3 Ų | 95.3 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | trans | -94.8 | 147.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G87 L91 G92 | G87-G89 PolarHBondContact O-N 3.49Å; G89-L91 PolarHBondContact O-N 3.15Å; G89-G92 PolarHBondContact O-N 2.91Å | ||
| 90 | C | 51.8 | Low | 65.4 | Low | 146 Ų | 146 | 95.4 Ų | 95.4 | 99% | 0.986 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -19.4 | -175.2 | -171.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 91 | L | 53.8 | Low | 66.6 | Low | 147 Ų | 147 | 96.6 Ų | 96.6 | 77% | 0.77 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | 10.2 | 174.7 | -95.2 | 156 | 0 | 0 | 0 | 113.3 | G89 G95 | G89-L91 PolarHBondContact O-N 3.15Å; L91-G95 VanDerWaalsContact O-CA 3.26Å; L91-G95 WeakPolarHBondContact O-CA 3.39Å; L91-G95 PolarHBondContact O-N 2.9Å; L91-G95 VanDerWaalsContact O-N 3.13Å |
| 92 | G | 66.4 | Low | 68 | Low | 36 Ų | 36 | 98.1 Ų | 98.1 | 37% | 0.371 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -52.6 | -96 | -158.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | G89 A96 | G89-G92 PolarHBondContact O-N 2.91Å; G92-A96 PolarHBondContact O-N 3.31Å |
| 93 | R | 66.1 | Low | 69.5 | Low | 131 Ų | 131 | 89.9 Ų | 89.9 | 49% | 0.494 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.9 | -39.1 | -170.2 | -170 | 177.2 | -173.2 | 176.9 | 2.9 | 113.4 | R82 R97 | R82-R93 PolarHBondContact O-NH2 2.91Å; R93-R97 VanDerWaalsContact NH2-NH2 3.13Å; R93-R97 WeakPolarHBondContact O-CG 3.18Å; R93-R97 PolarHBondContact O-N 2.68Å |
| 94 | T | 72.6 | Confident | 71 | Confident | 99 Ų | 99 | 91 Ų | 91 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.3 | -37.1 | -177.9 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | R97 L98 | T94-R97 PolarHBondContact O-N 3.17Å; T94-L98 HydrophobicContact CG2-CD1 4.08Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 WeakPolarHBondContact O-CG 3.47Å; T94-L98 PolarHBondContact O-N 3.39Å |
| 95 | G | 78.5 | Confident | 72.9 | Confident | 22 Ų | 22 | 92.1 Ų | 92.1 | 23% | 0.227 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L91 R97 L98 W99 | L91-G95 VanDerWaalsContact O-CA 3.26Å; L91-G95 WeakPolarHBondContact O-CA 3.39Å; L91-G95 PolarHBondContact O-N 2.9Å; L91-G95 VanDerWaalsContact O-N 3.13Å; G95-R97 VanDerWaalsContact C-N 3.33Å; G95-R97 PolarHBondContact O-N 3.2Å; G95-L98 PolarHBondContact O-N 3.47Å; G95-W99 WeakPolarHBondContact O-CB 3.37Å; G95-W99 PolarHBondContact O-N 3.21Å |
| 96 | A | 80.8 | Confident | 74.7 | Confident | 13 Ų | 13 | 91.8 Ų | 91.8 | 11% | 0.107 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V76 Q80 G92 L100 | V76-A96 HydrophobicContact CG1-CB 4.34Å; Q80-A96 HydrophobicContact CB-CB 4.43Å; G92-A96 PolarHBondContact O-N 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.18Å; A96-L100 PolarHBondContact O-N 3.04Å |
| 97 | R | 81.6 | Confident | 76.9 | Confident | 113 Ų | 113 | 80 Ų | 80 | 43% | 0.426 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 176 | -72.3 | 173.9 | 179.2 | -176.7 | -4.8 | 112.6 | V81 R93 T94 G95 L100 F101 | V81-R97 PolarHBondContact O-NH2 3.48Å; V81-R97 VanDerWaalsContact O-NH2 3.1Å; R93-R97 VanDerWaalsContact NH2-NH2 3.13Å; R93-R97 WeakPolarHBondContact O-CG 3.18Å; R93-R97 PolarHBondContact O-N 2.68Å; T94-R97 PolarHBondContact O-N 3.17Å; G95-R97 VanDerWaalsContact C-N 3.33Å; G95-R97 PolarHBondContact O-N 3.2Å; R97-L100 PolarHBondContact O-N 3.48Å; R97-F101 VanDerWaalsContact O-CB 3.25Å; R97-F101 WeakPolarHBondContact O-CB 3.46Å; R97-F101 PolarHBondContact O-N 2.97Å |
| 98 | L | 85.6 | Confident | 78.8 | Confident | 97 Ų | 97 | 82 Ų | 82 | 51% | 0.508 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.2 | -81.5 | 163.9 | 0 | 0 | 0 | 111.4 | T94 G95 L100 F101 I102 | T94-L98 HydrophobicContact CG2-CD1 4.08Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 WeakPolarHBondContact O-CG 3.47Å; T94-L98 PolarHBondContact O-N 3.39Å; G95-L98 PolarHBondContact O-N 3.47Å; L98-L100 PolarHBondContact O-N 3.5Å; L98-F101 PolarHBondContact O-N 3.07Å; L98-I102 VanDerWaalsContact O-CG1 3.25Å; L98-I102 WeakPolarHBondContact O-CG1 3.44Å; L98-I102 PolarHBondContact O-N 3.41Å |
| 99 | W | 87.5 | Confident | 80.7 | Confident | 133 Ų | 133 | 74 Ų | 74 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 176.7 | -173.2 | -92.8 | 0 | 0 | 0 | 111.9 | M72 V76 G95 I102 G103 | M72-W99 HydrophobicContact CE-CD2 3.9Å; M72-W99 HydrophobicContact CE-CE3 4.21Å; M72-W99 HydrophobicContact CE-CG 4.43Å; M72-W99 HydrophobicContact CE-CH2 4.19Å; M72-W99 HydrophobicContact CE-CZ2 3.87Å; M72-W99 HydrophobicContact CE-CZ3 4.35Å; M72-W99 HydrophobicContact CG-CZ2 3.83Å; M72-W99 PolarHBondContact O-NE1 3.32Å; M72-W99 HydrophobicContact SD-CZ2 4.45Å; V76-W99 HydrophobicContact CG2-CG 4.47Å; G95-W99 WeakPolarHBondContact O-CB 3.37Å; G95-W99 PolarHBondContact O-N 3.21Å; W99-I102 PolarHBondContact O-N 3.23Å; W99-G103 PolarHBondContact O-N 2.87Å |
| 100 | L | 88.2 | Confident | 82.6 | Confident | 13 Ų | 13 | 72.3 Ų | 72.3 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 177.9 | -144.7 | 175.2 | 0 | 0 | 0 | 111.3 | I73 V76 V81 A96 R97 L98 G103 F104 | I73-L100 HydrophobicContact CG2-CD2 4.38Å; V76-L100 HydrophobicContact CB-CD1 4.2Å; V76-L100 HydrophobicContact CB-CG 4.37Å; V76-L100 HydrophobicContact CG1-CD1 3.96Å; V81-L100 HydrophobicContact CG2-CD1 3.26Å; A96-L100 WeakPolarHBondContact O-CB 3.18Å; A96-L100 PolarHBondContact O-N 3.04Å; R97-L100 PolarHBondContact O-N 3.48Å; L98-L100 PolarHBondContact O-N 3.5Å; L100-G103 PolarHBondContact O-N 3.47Å; L100-F104 HydrophobicContact CD2-CD2 3.25Å; L100-F104 HydrophobicContact CD2-CE2 3.02Å; L100-F104 HydrophobicContact CD2-CG 4.34Å; L100-F104 HydrophobicContact CD2-CZ 3.95Å; L100-F104 WeakPolarHBondContact O-CD2 3.02Å; L100-F104 PolarHBondContact O-N 3.28Å |
| 101 | F | 89.6 | Confident | 84.5 | Confident | 124 Ų | 124 | 67.4 Ų | 67.4 | 54% | 0.544 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 175 | -179.2 | -107 | 0 | 0 | 0 | 111.9 | R97 L98 G103 F104 M105 | R97-F101 VanDerWaalsContact O-CB 3.25Å; R97-F101 WeakPolarHBondContact O-CB 3.46Å; R97-F101 PolarHBondContact O-N 2.97Å; L98-F101 PolarHBondContact O-N 3.07Å; F101-G103 VanDerWaalsContact C-N 3.31Å; F101-G103 PolarHBondContact O-N 3.28Å; F101-F104 PolarHBondContact O-N 2.96Å; F101-M105 HydrophobicContact CD1-CG 4.35Å; F101-M105 HydrophobicContact CD1-SD 3.76Å; F101-M105 HydrophobicContact CE1-CG 4.05Å; F101-M105 HydrophobicContact CE1-SD 3.16Å; F101-M105 WeakPolarHBondContact CE1-SD 3.22Å; F101-M105 HydrophobicContact CE2-CG 4.39Å; F101-M105 HydrophobicContact CE2-SD 4.43Å; F101-M105 HydrophobicContact CZ-CG 4.06Å; F101-M105 HydrophobicContact CZ-SD 3.56Å; F101-M105 VanDerWaalsContact CZ-SD 3.56Å; F101-M105 WeakPolarHBondContact O-CG 3.4Å; F101-M105 PolarHBondContact O-N 2.89Å |
| 102 | I | 91.4 | Very high | 86.4 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.4 | -66.9 | 164.7 | 0 | 0 | 0 | 110.4 | M72 L98 W99 F104 M105 M106 | M72-I102 HydrophobicContact CE-CB 4.27Å; M72-I102 HydrophobicContact CE-CG2 3.86Å; L98-I102 VanDerWaalsContact O-CG1 3.25Å; L98-I102 WeakPolarHBondContact O-CG1 3.44Å; L98-I102 PolarHBondContact O-N 3.41Å; W99-I102 PolarHBondContact O-N 3.23Å; I102-F104 PolarHBondContact O-N 3.1Å; I102-M105 PolarHBondContact O-N 3.4Å; I102-M106 WeakPolarHBondContact O-CB 3.32Å; I102-M106 PolarHBondContact O-N 2.91Å |
| 103 | G | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A69 W99 L100 F101 M106 M107 | A69-G103 WeakPolarHBondContact CB-O 3.25Å; W99-G103 PolarHBondContact O-N 2.87Å; L100-G103 PolarHBondContact O-N 3.47Å; F101-G103 VanDerWaalsContact C-N 3.31Å; F101-G103 PolarHBondContact O-N 3.28Å; G103-M106 PolarHBondContact O-N 3.23Å; G103-M107 WeakPolarHBondContact O-CB 3.44Å; G103-M107 PolarHBondContact O-N 2.75Å |
| 104 | F | 90.6 | Very high | 88.7 | Confident | 48 Ų | 48 | 59 Ų | 59 | 21% | 0.211 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.2 | -83.5 | -55 | 0 | 0 | 0 | 112.8 | I73 L100 F101 I102 M106 M107 F108 L147 F151 | I73-F104 HydrophobicContact CD1-CD1 3.66Å; I73-F104 HydrophobicContact CD1-CE1 3.92Å; I73-F104 HydrophobicContact CD1-CG 4.18Å; I73-F104 HydrophobicContact CG1-CD1 4.3Å; I73-F104 HydrophobicContact CG1-CE1 4.45Å; I73-F104 HydrophobicContact CG1-CG 4.44Å; I73-F104 HydrophobicContact CG2-CE1 4.22Å; I73-F104 HydrophobicContact CG2-CZ 4.11Å; L100-F104 HydrophobicContact CD2-CD2 3.25Å; L100-F104 HydrophobicContact CD2-CE2 3.02Å; L100-F104 HydrophobicContact CD2-CG 4.34Å; L100-F104 HydrophobicContact CD2-CZ 3.95Å; L100-F104 WeakPolarHBondContact O-CD2 3.02Å; L100-F104 PolarHBondContact O-N 3.28Å; F101-F104 PolarHBondContact O-N 2.96Å; I102-F104 PolarHBondContact O-N 3.1Å; F104-M106 PolarHBondContact O-N 3.37Å; F104-M107 WeakPolarHBondContact O-CB 3.43Å; F104-M107 PolarHBondContact O-N 2.99Å; F104-F108 HydrophobicContact CB-CD2 4.44Å; F104-F108 HydrophobicContact CB-CE2 4.39Å; F104-F108 HydrophobicContact CD1-CE2 4.26Å; F104-F108 WeakPolarHBondContact O-CD2 3.38Å; F104-F108 PolarHBondContact O-N 3.19Å; F104-L147 HydrophobicContact CE1-CD2 4.27Å; F104-F151 HydrophobicContact CZ-CZ 4.42Å |
| 105 | M | 94.4 | Very high | 89.6 | Confident | 110 Ų | 110 | 57.1 Ų | 57.1 | 54% | 0.542 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 176.2 | -73.3 | -175 | 74.2 | 0 | 0 | 111.9 | F101 I102 M107 G109 | F101-M105 HydrophobicContact CD1-CG 4.35Å; F101-M105 HydrophobicContact CD1-SD 3.76Å; F101-M105 HydrophobicContact CE1-CG 4.05Å; F101-M105 HydrophobicContact CE1-SD 3.16Å; F101-M105 WeakPolarHBondContact CE1-SD 3.22Å; F101-M105 HydrophobicContact CE2-CG 4.39Å; F101-M105 HydrophobicContact CE2-SD 4.43Å; F101-M105 HydrophobicContact CZ-CG 4.06Å; F101-M105 HydrophobicContact CZ-SD 3.56Å; F101-M105 VanDerWaalsContact CZ-SD 3.56Å; F101-M105 WeakPolarHBondContact O-CG 3.4Å; F101-M105 PolarHBondContact O-N 2.89Å; I102-M105 PolarHBondContact O-N 3.4Å; M105-M107 VanDerWaalsContact C-N 3.3Å; M105-M107 PolarHBondContact O-N 2.85Å; M105-G109 PolarHBondContact O-N 3.03Å |
| 106 | M | 93.3 | Very high | 90.2 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 178 | -173.4 | 179.9 | -66 | 0 | 0 | 111.4 | F65 I68 A69 M72 I102 G103 F104 S110 | F65-M106 HydrophobicContact CB-CG 4.31Å; F65-M106 HydrophobicContact CD1-CG 4.4Å; F65-M106 HydrophobicContact CD1-SD 4.04Å; I68-M106 HydrophobicContact CB-SD 4.19Å; I68-M106 HydrophobicContact CG2-SD 3.94Å; A69-M106 HydrophobicContact CB-CB 4.01Å; A69-M106 HydrophobicContact CB-CG 4.03Å; A69-M106 HydrophobicContact CB-SD 4.22Å; M72-M106 HydrophobicContact SD-CE 4.35Å; M72-M106 HydrophobicContact SD-SD 4.44Å; I102-M106 WeakPolarHBondContact O-CB 3.32Å; I102-M106 PolarHBondContact O-N 2.91Å; G103-M106 PolarHBondContact O-N 3.23Å; F104-M106 PolarHBondContact O-N 3.37Å; M106-S110 WeakPolarHBondContact O-CB 3.28Å; M106-S110 PolarHBondContact O-N 3.47Å; M106-S110 PolarHBondContact O-OG 3.08Å |
| 107 | M | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.9 | -49.8 | 177.5 | -177.7 | 158.5 | -76.7 | 0 | 0 | 112.6 | A69 F70 I73 G103 F104 M105 G109 S110 F111 F143 S146 | A69-M107 HydrophobicContact CB-CB 3.81Å; A69-M107 HydrophobicContact CB-CE 3.98Å; F70-M107 HydrophobicContact CB-CE 4.16Å; I73-M107 HydrophobicContact CD1-CB 4.05Å; I73-M107 HydrophobicContact CD1-CE 3.66Å; I73-M107 HydrophobicContact CD1-CG 4.44Å; I73-M107 HydrophobicContact CD1-SD 3.48Å; I73-M107 WeakPolarHBondContact CD1-SD 3.41Å; G103-M107 WeakPolarHBondContact O-CB 3.44Å; G103-M107 PolarHBondContact O-N 2.75Å; F104-M107 WeakPolarHBondContact O-CB 3.43Å; F104-M107 PolarHBondContact O-N 2.99Å; M105-M107 VanDerWaalsContact C-N 3.3Å; M105-M107 PolarHBondContact O-N 2.85Å; M107-G109 VanDerWaalsContact C-N 3.34Å; M107-S110 PolarHBondContact O-N 3.46Å; M107-F111 WeakPolarHBondContact O-CB 3.21Å; M107-F111 PolarHBondContact O-N 3.4Å; M107-F143 HydrophobicContact CG-CD2 3.54Å; M107-F143 HydrophobicContact CG-CE2 4.09Å; M107-F143 HydrophobicContact SD-CD2 3.89Å; M107-F143 HydrophobicContact SD-CE2 4.4Å; M107-S146 VanDerWaalsContact CE-OG 3.28Å; M107-S146 WeakPolarHBondContact CE-OG 3.23Å; M107-S146 PolarHBondContact SD-OG 3Å |
| 108 | F | 93 | Very high | 90.7 | Very high | 96 Ų | 96 | 61 Ų | 61 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 175.7 | -75.2 | -64.5 | 0 | 0 | 0 | 111.9 | F104 S110 F111 I112 F143 | F104-F108 HydrophobicContact CB-CD2 4.44Å; F104-F108 HydrophobicContact CB-CE2 4.39Å; F104-F108 HydrophobicContact CD1-CE2 4.26Å; F104-F108 WeakPolarHBondContact O-CD2 3.38Å; F104-F108 PolarHBondContact O-N 3.19Å; F108-S110 VanDerWaalsContact C-N 3.34Å; F108-S110 PolarHBondContact O-N 2.93Å; F108-F111 PolarHBondContact O-N 2.77Å; F108-I112 WeakPolarHBondContact O-CB 3.18Å; F108-I112 VanDerWaalsContact O-CG1 3.28Å; F108-I112 WeakPolarHBondContact O-CG1 3.47Å; F108-I112 PolarHBondContact O-N 2.68Å; F108-F143 AromaticContact CD1-CE2 3.86Å; F108-F143 HydrophobicContact CD1-CE2 3.86Å; F108-F143 HydrophobicContact CD1-CZ 4.36Å; F108-F143 AromaticContact CE1-CE2 3.52Å; F108-F143 HydrophobicContact CE1-CE2 3.52Å; F108-F143 AromaticContact CE1-CZ 3.65Å; F108-F143 HydrophobicContact CE1-CZ 3.65Å; F108-F143 HydrophobicContact CZ-CE2 4.08Å; F108-F143 HydrophobicContact CZ-CZ 4.2Å |
| 109 | G | 93.6 | Very high | 90.8 | Very high | 44 Ų | 44 | 61.7 Ų | 61.7 | 45% | 0.454 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M105 M107 G113 | M105-G109 PolarHBondContact O-N 3.03Å; M107-G109 VanDerWaalsContact C-N 3.34Å; G109-G113 PolarHBondContact O-N 3.49Å |
| 110 | S | 91.7 | Very high | 90.6 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.7 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | C62 F65 M106 M107 F108 G113 S114 | C62-S110 PolarHBondContact SG-O 2.88Å; F65-S110 VanDerWaalsContact CB-OG 3.3Å; F65-S110 WeakPolarHBondContact CB-OG 3.18Å; M106-S110 WeakPolarHBondContact O-CB 3.28Å; M106-S110 PolarHBondContact O-N 3.47Å; M106-S110 PolarHBondContact O-OG 3.08Å; M107-S110 PolarHBondContact O-N 3.46Å; F108-S110 VanDerWaalsContact C-N 3.34Å; F108-S110 PolarHBondContact O-N 2.93Å; S110-G113 PolarHBondContact O-N 3.36Å; S110-S114 WeakPolarHBondContact O-CB 3.04Å; S110-S114 PolarHBondContact O-N 3.34Å |
| 111 | F | 92.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 57.4 Ų | 57.4 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 177.9 | -173.7 | -114.8 | 0 | 0 | 0 | 112.4 | M107 F108 G113 S114 I115 F136 A140 | M107-F111 WeakPolarHBondContact O-CB 3.21Å; M107-F111 PolarHBondContact O-N 3.4Å; F108-F111 PolarHBondContact O-N 2.77Å; F111-G113 VanDerWaalsContact C-N 3.34Å; F111-G113 PolarHBondContact O-N 3.03Å; F111-S114 PolarHBondContact O-N 2.88Å; F111-S114 PolarHBondContact O-OG 3.27Å; F111-I115 HydrophobicContact CD1-CD1 4.19Å; F111-I115 HydrophobicContact CE1-CD1 3.87Å; F111-I115 HydrophobicContact CZ-CD1 4.22Å; F111-I115 PolarHBondContact O-N 2.8Å; F111-I115 VanDerWaalsContact O-N 3.17Å; F111-F136 AromaticContact CE2-CE2 3.91Å; F111-F136 HydrophobicContact CE2-CE2 3.91Å; F111-F136 HydrophobicContact CE2-CZ 4.47Å; F111-F136 HydrophobicContact CZ-CE2 4.1Å; F111-A140 HydrophobicContact CE2-CB 3.94Å |
| 112 | I | 92.8 | Very high | 89.9 | Confident | 111 Ų | 111 | 51.8 Ų | 51.8 | 57% | 0.569 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 177 | -64.6 | 165.4 | 0 | 0 | 0 | 110.7 | F108 S114 I115 W116 | F108-I112 WeakPolarHBondContact O-CB 3.18Å; F108-I112 VanDerWaalsContact O-CG1 3.28Å; F108-I112 WeakPolarHBondContact O-CG1 3.47Å; F108-I112 PolarHBondContact O-N 2.68Å; I112-S114 VanDerWaalsContact C-N 3.3Å; I112-S114 PolarHBondContact O-N 3.36Å; I112-I115 WeakPolarHBondContact O-CB 3.3Å; I112-I115 PolarHBondContact O-N 3.19Å; I112-W116 PolarHBondContact O-N 2.81Å |
| 113 | G | 91.1 | Very high | 89.5 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.6 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G109 S110 F111 I115 W116 I117 | G109-G113 PolarHBondContact O-N 3.49Å; S110-G113 PolarHBondContact O-N 3.36Å; F111-G113 VanDerWaalsContact C-N 3.34Å; F111-G113 PolarHBondContact O-N 3.03Å; G113-I115 PolarHBondContact O-N 3.33Å; G113-W116 WeakPolarHBondContact O-CB 3.27Å; G113-W116 PolarHBondContact O-N 2.94Å; G113-I117 WeakPolarHBondContact O-CG1 3.48Å; G113-I117 PolarHBondContact O-N 3.32Å |
| 114 | S | 89.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 176.8 | 78.7 | 0 | 0 | 0 | 0 | 113 | S110 F111 I112 I117 L118 | S110-S114 WeakPolarHBondContact O-CB 3.04Å; S110-S114 PolarHBondContact O-N 3.34Å; F111-S114 PolarHBondContact O-N 2.88Å; F111-S114 PolarHBondContact O-OG 3.27Å; I112-S114 VanDerWaalsContact C-N 3.3Å; I112-S114 PolarHBondContact O-N 3.36Å; S114-I117 PolarHBondContact O-N 3.22Å; S114-L118 PolarHBondContact O-N 3.42Å |
| 115 | I | 92.1 | Very high | 88.6 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 30% | 0.303 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 172.9 | -64.9 | 168.7 | 0 | 0 | 0 | 110 | F111 I112 G113 I117 L118 F119 F136 | F111-I115 HydrophobicContact CD1-CD1 4.19Å; F111-I115 HydrophobicContact CE1-CD1 3.87Å; F111-I115 HydrophobicContact CZ-CD1 4.22Å; F111-I115 PolarHBondContact O-N 2.8Å; F111-I115 VanDerWaalsContact O-N 3.17Å; I112-I115 WeakPolarHBondContact O-CB 3.3Å; I112-I115 PolarHBondContact O-N 3.19Å; G113-I115 PolarHBondContact O-N 3.33Å; I115-I117 PolarHBondContact O-N 2.78Å; I115-L118 PolarHBondContact O-N 3.06Å; I115-F119 HydrophobicContact CG2-CD2 3.81Å; I115-F119 HydrophobicContact CG2-CE2 4.04Å; I115-F119 WeakPolarHBondContact O-CD2 3.49Å; I115-F119 PolarHBondContact O-N 2.88Å; I115-F136 HydrophobicContact CD1-CE2 4.3Å; I115-F136 HydrophobicContact CG1-CD2 3.84Å; I115-F136 HydrophobicContact CG1-CE2 3.59Å |
| 116 | W | 89.9 | Confident | 87.9 | Confident | 194 Ų | 194 | 63.2 Ų | 63.2 | 74% | 0.735 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 176.6 | -177.8 | -94.8 | 0 | 0 | 0 | 112.2 | I112 G113 L118 F119 G120 | I112-W116 PolarHBondContact O-N 2.81Å; G113-W116 WeakPolarHBondContact O-CB 3.27Å; G113-W116 PolarHBondContact O-N 2.94Å; W116-L118 PolarHBondContact O-N 2.87Å; W116-F119 PolarHBondContact O-N 2.65Å; W116-G120 WeakPolarHBondContact O-CA 3.38Å; W116-G120 PolarHBondContact O-N 3.48Å |
| 117 | I | 86.9 | Confident | 87 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -60.4 | -46.9 | 176.1 | -69.5 | 162 | 0 | 0 | 0 | 110.2 | F59 C62 G113 S114 I115 A121 Y122 V135 | F59-I117 HydrophobicContact CD1-CB 4.49Å; F59-I117 HydrophobicContact CD1-CD1 3.64Å; F59-I117 HydrophobicContact CD1-CG1 3.87Å; F59-I117 HydrophobicContact CD1-CG2 3.77Å; F59-I117 HydrophobicContact CE1-CB 4.5Å; F59-I117 HydrophobicContact CE1-CD1 4.18Å; F59-I117 HydrophobicContact CE1-CG1 3.9Å; F59-I117 HydrophobicContact CE1-CG2 3.83Å; F59-I117 HydrophobicContact CG-CG2 4.15Å; F59-I117 HydrophobicContact CZ-CG2 4.25Å; C62-I117 HydrophobicContact CB-CD1 4.33Å; G113-I117 WeakPolarHBondContact O-CG1 3.48Å; G113-I117 PolarHBondContact O-N 3.32Å; S114-I117 PolarHBondContact O-N 3.22Å; I115-I117 PolarHBondContact O-N 2.78Å; I117-A121 HydrophobicContact CG2-CB 4.49Å; I117-A121 VanDerWaalsContact O-CB 3.23Å; I117-A121 WeakPolarHBondContact O-CB 3.4Å; I117-A121 PolarHBondContact O-N 2.86Å; I117-Y122 HydrophobicContact CG2-CD2 4.14Å; I117-Y122 HydrophobicContact CG2-CE2 3.83Å; I117-Y122 WeakPolarHBondContact O-CD2 3.32Å; I117-V135 HydrophobicContact CD1-CG1 4.44Å |
| 118 | L | 87.1 | Confident | 86.3 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | I | π-helix | trans | -56.6 | -54.6 | 178 | 174.4 | 63.5 | 0 | 0 | 0 | 111.7 | S114 I115 W116 Y122 V123 V129 L133 F136 | S114-L118 PolarHBondContact O-N 3.42Å; I115-L118 PolarHBondContact O-N 3.06Å; W116-L118 PolarHBondContact O-N 2.87Å; L118-Y122 WeakPolarHBondContact O-CB 3.47Å; L118-Y122 PolarHBondContact O-N 3.48Å; L118-V123 WeakPolarHBondContact O-CG2 3.41Å; L118-V123 PolarHBondContact O-N 3.42Å; L118-V129 HydrophobicContact CD1-CG1 3.8Å; L118-L133 HydrophobicContact CD1-CD2 4.06Å; L118-L133 HydrophobicContact CD1-CG 3.87Å; L118-L133 HydrophobicContact CD2-CD2 4.3Å; L118-F136 HydrophobicContact CB-CB 4.49Å; L118-F136 HydrophobicContact CD2-CB 4.19Å; L118-F136 HydrophobicContact CD2-CD1 4.39Å; L118-F136 HydrophobicContact CD2-CG 4.14Å |
| 119 | F | 86.9 | Confident | 85.8 | Confident | 112 Ų | 112 | 69.5 Ų | 69.5 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -80.1 | -45.5 | -174 | -73.8 | -73.3 | 0 | 0 | 0 | 113.6 | I115 W116 V123 M124 | I115-F119 HydrophobicContact CG2-CD2 3.81Å; I115-F119 HydrophobicContact CG2-CE2 4.04Å; I115-F119 WeakPolarHBondContact O-CD2 3.49Å; I115-F119 PolarHBondContact O-N 2.88Å; W116-F119 PolarHBondContact O-N 2.65Å; F119-V123 HydrophobicContact CD1-CB 4.14Å; F119-V123 HydrophobicContact CD1-CG1 4.26Å; F119-V123 HydrophobicContact CD1-CG2 4.01Å; F119-V123 HydrophobicContact CE1-CG2 4.46Å; F119-V123 PolarHBondContact O-N 2.85Å; F119-M124 WeakPolarHBondContact O-CG 3.21Å; F119-M124 PolarHBondContact O-N 2.92Å |
| 120 | G | 84.1 | Confident | 85.2 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -77.4 | -40 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | W116 P125 | W116-G120 WeakPolarHBondContact O-CA 3.38Å; W116-G120 PolarHBondContact O-N 3.48Å; G120-P125 WeakPolarHBondContact O-CD 3.3Å |
| 121 | A | 80.2 | Confident | 84.7 | Confident | 33 Ų | 33 | 69 Ų | 69 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -91.8 | -27 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F59 I117 P125 | F59-A121 HydrophobicContact CZ-CB 4.15Å; I117-A121 HydrophobicContact CG2-CB 4.49Å; I117-A121 VanDerWaalsContact O-CB 3.23Å; I117-A121 WeakPolarHBondContact O-CB 3.4Å; I117-A121 PolarHBondContact O-N 2.86Å; A121-P125 WeakPolarHBondContact O-CG 3.34Å |
| 122 | Y | 81.1 | Confident | 84.3 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -115.8 | -49.2 | -174.2 | -66.4 | -76.5 | 0 | 0 | 0 | 114.1 | I54 F59 I117 L118 K126 K127 D128 P131 | I54-Y122 WeakPolarHBondContact O-CE1 3.25Å; I54-Y122 PolarHBondContact O-OH 3.35Å; F59-Y122 HydrophobicContact CD2-CE2 4.36Å; F59-Y122 WeakPolarHBondContact CD2-OH 3.11Å; F59-Y122 HydrophobicContact CE2-CE2 4.05Å; F59-Y122 AromaticContact CE2-CZ 3.98Å; F59-Y122 WeakPolarHBondContact CE2-OH 3.29Å; I117-Y122 HydrophobicContact CG2-CD2 4.14Å; I117-Y122 HydrophobicContact CG2-CE2 3.83Å; I117-Y122 WeakPolarHBondContact O-CD2 3.32Å; L118-Y122 WeakPolarHBondContact O-CB 3.47Å; L118-Y122 PolarHBondContact O-N 3.48Å; Y122-K126 PolarHBondContact O-N 3.41Å; Y122-K127 HydrophobicContact CD1-CB 4.35Å; Y122-K127 PolarHBondContact O-N 2.97Å; Y122-K127 VanDerWaalsContact O-N 3.14Å; Y122-D128 WeakPolarHBondContact CD1-O 3.42Å; Y122-P131 HydrophobicContact CD1-CG 3.91Å; Y122-P131 HydrophobicContact CE1-CB 4.08Å; Y122-P131 HydrophobicContact CE1-CG 3.39Å |
| 123 | V | 84.1 | Confident | 84 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 38% | 0.376 | 34% | 0.337 | S | S | . | . | I | π-helix | trans | -72.3 | -48 | -177 | 176.8 | 0 | 0 | 0 | 0 | 112.4 | L118 F119 K126 V129 | L118-V123 WeakPolarHBondContact O-CG2 3.41Å; L118-V123 PolarHBondContact O-N 3.42Å; F119-V123 HydrophobicContact CD1-CB 4.14Å; F119-V123 HydrophobicContact CD1-CG1 4.26Å; F119-V123 HydrophobicContact CD1-CG2 4.01Å; F119-V123 HydrophobicContact CE1-CG2 4.46Å; F119-V123 PolarHBondContact O-N 2.85Å; V123-K126 PolarHBondContact O-N 3.38Å; V123-V129 HydrophobicContact CG2-CG1 4.05Å; V123-V129 HydrophobicContact CG2-CG2 4.44Å |
| 124 | M | 82.1 | Confident | 84 | Confident | 155 Ų | 155 | 64 Ų | 64 | 76% | 0.764 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -44.7 | -179.7 | -79.1 | -175.5 | 164.4 | 0 | 0 | 113.2 | F119 K126 | F119-M124 WeakPolarHBondContact O-CG 3.21Å; F119-M124 PolarHBondContact O-N 2.92Å; M124-K126 PolarHBondContact O-N 3.25Å |
| 125 | P | 80.6 | Confident | 83.9 | Confident | 68 Ų | 68 | 64 Ų | 64 | 44% | 0.442 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 2.1 | 179 | -17.4 | 35.8 | 0 | 0 | 0 | 113.9 | G120 A121 K127 | G120-P125 WeakPolarHBondContact O-CD 3.3Å; A121-P125 WeakPolarHBondContact O-CG 3.34Å; P125-K127 HydrophobicContact CB-CD 4.5Å; P125-K127 HydrophobicContact CB-CG 4.21Å; P125-K127 PolarHBondContact O-N 3.46Å |
| 126 | K | 78.9 | Confident | 83.9 | Confident | 194 Ų | 194 | 63.3 Ų | 63.3 | 84% | 0.843 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.2 | -175.2 | -57.4 | -178.7 | -178.8 | 177.3 | 0 | 113.3 | Y122 V123 M124 | Y122-K126 PolarHBondContact O-N 3.41Å; V123-K126 PolarHBondContact O-N 3.38Å; M124-K126 PolarHBondContact O-N 3.25Å |
| 127 | K | 75 | Confident | 84.1 | Confident | 121 Ų | 121 | 58.4 Ų | 58.4 | 53% | 0.526 | 31% | 0.306 | S | S | . | . | trans | -83 | 172.6 | 171.4 | -73.7 | -175.8 | 175.8 | -173.9 | 0 | 109.9 | Y122 P125 V129 | Y122-K127 HydrophobicContact CD1-CB 4.35Å; Y122-K127 PolarHBondContact O-N 2.97Å; Y122-K127 VanDerWaalsContact O-N 3.14Å; P125-K127 HydrophobicContact CB-CD 4.5Å; P125-K127 HydrophobicContact CB-CG 4.21Å; P125-K127 PolarHBondContact O-N 3.46Å; K127-V129 WeakPolarHBondContact O-CG2 3.36Å; K127-V129 PolarHBondContact O-N 2.88Å; K127-V129 VanDerWaalsContact O-N 3.12Å | ||
| 128 | D | 78.8 | Confident | 84.4 | Confident | 107 Ų | 107 | 57.3 Ų | 57.3 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | trans | -56.7 | 118.8 | 173.5 | -71.5 | -31.7 | 0 | 0 | 0 | 110.6 | Y122 A130 P131 | Y122-D128 WeakPolarHBondContact CD1-O 3.42Å; D128-A130 VanDerWaalsContact C-N 3.33Å; D128-P131 VanDerWaalsContact O-CD 3.32Å; D128-P131 WeakPolarHBondContact O-CD 3.33Å; D128-P131 WeakPolarHBondContact O-CG 3.15Å | ||
| 129 | V | 81.9 | Confident | 84.7 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 33% | 0.327 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -81.1 | -17.6 | -172.5 | -172.6 | 0 | 0 | 0 | 0 | 112 | L118 V123 K127 G132 L133 | L118-V129 HydrophobicContact CD1-CG1 3.8Å; V123-V129 HydrophobicContact CG2-CG1 4.05Å; V123-V129 HydrophobicContact CG2-CG2 4.44Å; K127-V129 WeakPolarHBondContact O-CG2 3.36Å; K127-V129 PolarHBondContact O-N 2.88Å; K127-V129 VanDerWaalsContact O-N 3.12Å; V129-G132 PolarHBondContact O-N 3.48Å; V129-G132 VanDerWaalsContact O-N 3.11Å; V129-L133 HydrophobicContact CG1-CD1 3.95Å; V129-L133 HydrophobicContact CG1-CG 4.05Å; V129-L133 PolarHBondContact O-N 2.89Å |
| 130 | A | 80.9 | Confident | 85 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -51.4 | -50.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y49 D128 G132 L133 A134 | Y49-A130 HydrophobicContact CE2-CB 3.99Å; Y49-A130 WeakPolarHBondContact OH-CB 3.12Å; D128-A130 VanDerWaalsContact C-N 3.33Å; A130-G132 PolarHBondContact O-N 2.94Å; A130-L133 PolarHBondContact O-N 2.85Å; A130-A134 PolarHBondContact O-N 3.39Å |
| 131 | P | 81.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -38 | 175.6 | 23.4 | -36.2 | 0 | 0 | 0 | 113.2 | Y49 I54 Y122 D128 L133 A134 V135 | Y49-P131 HydrophobicContact CD2-CB 4.37Å; I54-P131 HydrophobicContact CG2-CG 4.39Å; Y122-P131 HydrophobicContact CD1-CG 3.91Å; Y122-P131 HydrophobicContact CE1-CB 4.08Å; Y122-P131 HydrophobicContact CE1-CG 3.39Å; D128-P131 VanDerWaalsContact O-CD 3.32Å; D128-P131 WeakPolarHBondContact O-CD 3.33Å; D128-P131 WeakPolarHBondContact O-CG 3.15Å; P131-L133 VanDerWaalsContact C-N 3.34Å; P131-L133 PolarHBondContact O-N 2.93Å; P131-A134 PolarHBondContact O-N 2.89Å; P131-V135 WeakPolarHBondContact O-CG2 3.33Å; P131-V135 PolarHBondContact O-N 2.91Å |
| 132 | G | 83.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V129 A130 F136 | V129-G132 PolarHBondContact O-N 3.48Å; V129-G132 VanDerWaalsContact O-N 3.11Å; A130-G132 PolarHBondContact O-N 2.94Å; G132-F136 WeakPolarHBondContact O-CB 3.16Å; G132-F136 PolarHBondContact O-N 2.64Å; G132-F136 VanDerWaalsContact O-N 3.1Å |
| 133 | L | 87.6 | Confident | 86.8 | Confident | 67 Ų | 67 | 52.5 Ų | 52.5 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.5 | -78.9 | 162.7 | 0 | 0 | 0 | 111.3 | L118 V129 A130 P131 V135 F136 F137 | L118-L133 HydrophobicContact CD1-CD2 4.06Å; L118-L133 HydrophobicContact CD1-CG 3.87Å; L118-L133 HydrophobicContact CD2-CD2 4.3Å; V129-L133 HydrophobicContact CG1-CD1 3.95Å; V129-L133 HydrophobicContact CG1-CG 4.05Å; V129-L133 PolarHBondContact O-N 2.89Å; A130-L133 PolarHBondContact O-N 2.85Å; P131-L133 VanDerWaalsContact C-N 3.34Å; P131-L133 PolarHBondContact O-N 2.93Å; L133-V135 PolarHBondContact O-N 3.04Å; L133-F136 PolarHBondContact O-N 3.46Å; L133-F137 HydrophobicContact CB-CD2 4.23Å; L133-F137 HydrophobicContact CB-CE2 4.28Å; L133-F137 HydrophobicContact CD2-CE2 3.91Å; L133-F137 WeakPolarHBondContact O-CB 3.28Å; L133-F137 WeakPolarHBondContact O-CD2 3.48Å; L133-F137 PolarHBondContact O-N 3.28Å |
| 134 | A | 89.6 | Confident | 87.2 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -46.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I41 A45 A130 P131 F136 F137 Q138 | I41-A134 HydrophobicContact CG2-CB 3.92Å; A45-A134 HydrophobicContact CB-CB 3.5Å; A45-A134 VanDerWaalsContact CB-CB 3.5Å; A130-A134 PolarHBondContact O-N 3.39Å; P131-A134 PolarHBondContact O-N 2.89Å; A134-F136 PolarHBondContact O-N 2.9Å; A134-F137 PolarHBondContact O-N 3.07Å; A134-Q138 WeakPolarHBondContact O-CB 3.38Å; A134-Q138 PolarHBondContact O-N 2.83Å |
| 135 | V | 89.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 177.5 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | M42 F59 I117 P131 L133 N139 | M42-V135 HydrophobicContact CE-CG2 4.18Å; M42-V135 HydrophobicContact SD-CG2 4.14Å; F59-V135 HydrophobicContact CB-CG2 4.15Å; I117-V135 HydrophobicContact CD1-CG1 4.44Å; P131-V135 WeakPolarHBondContact O-CG2 3.33Å; P131-V135 PolarHBondContact O-N 2.91Å; L133-V135 PolarHBondContact O-N 3.04Å; V135-N139 PolarHBondContact O-N 3.2Å; V135-N139 PolarHBondContact O-ND2 2.88Å |
| 136 | F | 92.3 | Very high | 88.2 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 20% | 0.202 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.8 | -49.8 | 175.4 | 171.5 | -104.7 | 0 | 0 | 0 | 111.7 | F111 I115 L118 G132 L133 A134 Q138 N139 A140 | F111-F136 AromaticContact CE2-CE2 3.91Å; F111-F136 HydrophobicContact CE2-CE2 3.91Å; F111-F136 HydrophobicContact CE2-CZ 4.47Å; F111-F136 HydrophobicContact CZ-CE2 4.1Å; I115-F136 HydrophobicContact CD1-CE2 4.3Å; I115-F136 HydrophobicContact CG1-CD2 3.84Å; I115-F136 HydrophobicContact CG1-CE2 3.59Å; L118-F136 HydrophobicContact CB-CB 4.49Å; L118-F136 HydrophobicContact CD2-CB 4.19Å; L118-F136 HydrophobicContact CD2-CD1 4.39Å; L118-F136 HydrophobicContact CD2-CG 4.14Å; G132-F136 WeakPolarHBondContact O-CB 3.16Å; G132-F136 PolarHBondContact O-N 2.64Å; G132-F136 VanDerWaalsContact O-N 3.1Å; L133-F136 PolarHBondContact O-N 3.46Å; A134-F136 PolarHBondContact O-N 2.9Å; F136-Q138 PolarHBondContact O-N 3.16Å; F136-N139 PolarHBondContact O-N 2.66Å; F136-A140 WeakPolarHBondContact O-CB 3.48Å; F136-A140 PolarHBondContact O-N 2.97Å |
| 137 | F | 92.3 | Very high | 88.7 | Confident | 90 Ų | 90 | 36.6 Ų | 36.6 | 40% | 0.395 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 179.8 | -81.8 | -61.8 | 0 | 0 | 0 | 112.1 | I41 L133 A134 N139 A140 F141 | I41-F137 HydrophobicContact CD1-CB 4.29Å; L133-F137 HydrophobicContact CB-CD2 4.23Å; L133-F137 HydrophobicContact CB-CE2 4.28Å; L133-F137 HydrophobicContact CD2-CE2 3.91Å; L133-F137 WeakPolarHBondContact O-CB 3.28Å; L133-F137 WeakPolarHBondContact O-CD2 3.48Å; L133-F137 PolarHBondContact O-N 3.28Å; A134-F137 PolarHBondContact O-N 3.07Å; F137-N139 PolarHBondContact O-N 3.27Å; F137-A140 PolarHBondContact O-N 2.9Å; F137-F141 HydrophobicContact CB-CD2 4.22Å; F137-F141 HydrophobicContact CB-CE2 3.99Å; F137-F141 HydrophobicContact CD1-CE2 4.06Å; F137-F141 HydrophobicContact CD1-CZ 4.38Å; F137-F141 HydrophobicContact CG-CE2 4.38Å; F137-F141 WeakPolarHBondContact O-CB 3.28Å; F137-F141 WeakPolarHBondContact O-CD2 3.36Å; F137-F141 WeakPolarHBondContact O-CG 3.49Å; F137-F141 PolarHBondContact O-N 3.25Å |
| 138 | Q | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -53.6 | -54.3 | 172 | 178.8 | -169.6 | 27.9 | 0 | 0 | 110.9 | G38 M42 A134 F136 A140 F141 I142 | G38-Q138 WeakPolarHBondContact O-CG 3.42Å; M42-Q138 HydrophobicContact CG-CB 3.73Å; M42-Q138 HydrophobicContact CG-CG 3.63Å; M42-Q138 VanDerWaalsContact CG-NE2 3.28Å; M42-Q138 HydrophobicContact SD-CB 4.04Å; M42-Q138 HydrophobicContact SD-CG 4.45Å; M42-Q138 PolarHBondContact SD-OE1 3.16Å; A134-Q138 WeakPolarHBondContact O-CB 3.38Å; A134-Q138 PolarHBondContact O-N 2.83Å; F136-Q138 PolarHBondContact O-N 3.16Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 3.38Å; Q138-F141 PolarHBondContact O-N 3.46Å; Q138-I142 HydrophobicContact CG-CD1 3.69Å; Q138-I142 VanDerWaalsContact O-CG1 3.28Å; Q138-I142 WeakPolarHBondContact O-CG1 3.48Å; Q138-I142 PolarHBondContact O-N 3.48Å |
| 139 | N | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -38.5 | -177.4 | -81.8 | -79 | 0 | 0 | 0 | 111.9 | C62 S66 V135 F136 F137 F143 | C62-N139 PolarHBondContact O-OD1 3.49Å; C62-N139 PolarHBondContact SG-ND2 2.92Å; C62-N139 VanDerWaalsContact SG-ND2 3.42Å; S66-N139 WeakPolarHBondContact CB-OD1 3.46Å; V135-N139 PolarHBondContact O-N 3.2Å; V135-N139 PolarHBondContact O-ND2 2.88Å; F136-N139 PolarHBondContact O-N 2.66Å; F137-N139 PolarHBondContact O-N 3.27Å; N139-F143 WeakPolarHBondContact O-CB 3.45Å; N139-F143 PolarHBondContact O-N 2.94Å |
| 140 | A | 94.4 | Very high | 90 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 7% | 0.066 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -47.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F111 F136 F137 Q138 I142 F143 F144 | F111-A140 HydrophobicContact CE2-CB 3.94Å; F136-A140 WeakPolarHBondContact O-CB 3.48Å; F136-A140 PolarHBondContact O-N 2.97Å; F137-A140 PolarHBondContact O-N 2.9Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 3.38Å; A140-I142 PolarHBondContact O-N 3.31Å; A140-F143 WeakPolarHBondContact O-CB 3.38Å; A140-F143 PolarHBondContact O-N 3.44Å; A140-F144 HydrophobicContact CB-CE2 4.43Å; A140-F144 WeakPolarHBondContact O-CD2 3.2Å; A140-F144 PolarHBondContact O-N 3.29Å |
| 141 | F | 94.4 | Very high | 90 | Very high | 55 Ų | 55 | 35 Ų | 35 | 24% | 0.241 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 180 | -73.4 | -53.8 | 0 | 0 | 0 | 112.5 | L34 I41 F137 Q138 F144 S145 | L34-F141 HydrophobicContact CD2-CD1 3.81Å; L34-F141 HydrophobicContact CD2-CE1 4.27Å; L34-F141 WeakPolarHBondContact O-CB 3.47Å; I41-F141 HydrophobicContact CD1-CD2 3.69Å; I41-F141 HydrophobicContact CD1-CE2 3.34Å; I41-F141 HydrophobicContact CD1-CZ 4.47Å; F137-F141 HydrophobicContact CB-CD2 4.22Å; F137-F141 HydrophobicContact CB-CE2 3.99Å; F137-F141 HydrophobicContact CD1-CE2 4.06Å; F137-F141 HydrophobicContact CD1-CZ 4.38Å; F137-F141 HydrophobicContact CG-CE2 4.38Å; F137-F141 WeakPolarHBondContact O-CB 3.28Å; F137-F141 WeakPolarHBondContact O-CD2 3.36Å; F137-F141 WeakPolarHBondContact O-CG 3.49Å; F137-F141 PolarHBondContact O-N 3.25Å; Q138-F141 PolarHBondContact O-N 3.46Å; F141-F144 PolarHBondContact O-N 3.02Å; F141-S145 WeakPolarHBondContact O-CB 3.47Å; F141-S145 PolarHBondContact O-N 3.43Å |
| 142 | I | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.7 | -36.4 | 176.8 | -63.8 | 172.1 | 0 | 0 | 0 | 110.9 | F35 S66 T67 F70 Q138 A140 S145 S146 | F35-I142 HydrophobicContact CD2-CG1 4.11Å; F35-I142 HydrophobicContact CD2-CG2 4.28Å; F35-I142 HydrophobicContact CE2-CG1 4.47Å; F35-I142 HydrophobicContact CE2-CG2 4.38Å; S66-I142 VanDerWaalsContact OG-CG2 3.3Å; S66-I142 WeakPolarHBondContact OG-CG2 3.28Å; T67-I142 HydrophobicContact CG2-CD1 3.54Å; T67-I142 HydrophobicContact CG2-CG2 4.28Å; F70-I142 HydrophobicContact CB-CG2 4.05Å; Q138-I142 HydrophobicContact CG-CD1 3.69Å; Q138-I142 VanDerWaalsContact O-CG1 3.28Å; Q138-I142 WeakPolarHBondContact O-CG1 3.48Å; Q138-I142 PolarHBondContact O-N 3.48Å; A140-I142 PolarHBondContact O-N 3.31Å; I142-S145 PolarHBondContact O-N 2.84Å; I142-S146 PolarHBondContact O-N 2.99Å |
| 143 | F | 93.8 | Very high | 89.2 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -52.8 | 171.9 | 178.4 | -93.9 | 0 | 0 | 0 | 111.6 | M107 F108 N139 A140 S145 S146 L147 | M107-F143 HydrophobicContact CG-CD2 3.54Å; M107-F143 HydrophobicContact CG-CE2 4.09Å; M107-F143 HydrophobicContact SD-CD2 3.89Å; M107-F143 HydrophobicContact SD-CE2 4.4Å; F108-F143 AromaticContact CD1-CE2 3.86Å; F108-F143 HydrophobicContact CD1-CE2 3.86Å; F108-F143 HydrophobicContact CD1-CZ 4.36Å; F108-F143 AromaticContact CE1-CE2 3.52Å; F108-F143 HydrophobicContact CE1-CE2 3.52Å; F108-F143 AromaticContact CE1-CZ 3.65Å; F108-F143 HydrophobicContact CE1-CZ 3.65Å; F108-F143 HydrophobicContact CZ-CE2 4.08Å; F108-F143 HydrophobicContact CZ-CZ 4.2Å; N139-F143 WeakPolarHBondContact O-CB 3.45Å; N139-F143 PolarHBondContact O-N 2.94Å; A140-F143 WeakPolarHBondContact O-CB 3.38Å; A140-F143 PolarHBondContact O-N 3.44Å; F143-S145 VanDerWaalsContact C-N 3.33Å; F143-S145 PolarHBondContact O-N 3.02Å; F143-S146 PolarHBondContact O-N 3.32Å; F143-S146 PolarHBondContact O-OG 3.44Å; F143-L147 HydrophobicContact CD1-CD1 3.88Å; F143-L147 HydrophobicContact CE1-CD1 3.27Å; F143-L147 HydrophobicContact CE1-CG 4.19Å; F143-L147 HydrophobicContact CE2-CD1 4.49Å; F143-L147 HydrophobicContact CZ-CD1 3.62Å; F143-L147 HydrophobicContact CZ-CG 4.31Å; F143-L147 WeakPolarHBondContact O-CG 3.47Å; F143-L147 PolarHBondContact O-N 2.87Å; F143-L147 VanDerWaalsContact O-N 3.15Å |
| 144 | F | 93.1 | Very high | 88.1 | Confident | 104 Ų | 104 | 39.1 Ų | 39.1 | 46% | 0.456 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 178.5 | -70.8 | -60 | 0 | 0 | 0 | 112.4 | L34 A140 F141 S146 L147 I148 | L34-F144 HydrophobicContact CD1-CB 4.48Å; A140-F144 HydrophobicContact CB-CE2 4.43Å; A140-F144 WeakPolarHBondContact O-CD2 3.2Å; A140-F144 PolarHBondContact O-N 3.29Å; F141-F144 PolarHBondContact O-N 3.02Å; F144-S146 VanDerWaalsContact C-N 3.3Å; F144-S146 PolarHBondContact O-N 2.85Å; F144-L147 PolarHBondContact O-N 3.3Å; F144-I148 WeakPolarHBondContact O-CB 3.34Å; F144-I148 WeakPolarHBondContact O-CD1 3.38Å; F144-I148 VanDerWaalsContact O-CG1 3.25Å; F144-I148 WeakPolarHBondContact O-CG1 3.25Å; F144-I148 PolarHBondContact O-N 2.89Å |
| 145 | S | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.5 | -45 | 173.6 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | A31 F70 F141 I142 F143 I148 Y149 | A31-S145 WeakPolarHBondContact CB-O 3.5Å; A31-S145 WeakPolarHBondContact O-CB 3.33Å; A31-S145 PolarHBondContact O-OG 3.48Å; F70-S145 WeakPolarHBondContact CE2-OG 3.35Å; F141-S145 WeakPolarHBondContact O-CB 3.47Å; F141-S145 PolarHBondContact O-N 3.43Å; I142-S145 PolarHBondContact O-N 2.84Å; F143-S145 VanDerWaalsContact C-N 3.33Å; F143-S145 PolarHBondContact O-N 3.02Å; S145-I148 PolarHBondContact O-N 3.16Å; S145-Y149 VanDerWaalsContact O-CB 3.32Å; S145-Y149 WeakPolarHBondContact O-CB 3.32Å; S145-Y149 PolarHBondContact O-N 3.16Å |
| 146 | S | 91.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 179.1 | 87.1 | 0 | 0 | 0 | 0 | 112.2 | N74 M107 I142 F143 F144 Y149 K150 | N74-S146 PolarHBondContact OD1-O 3.46Å; M107-S146 VanDerWaalsContact CE-OG 3.28Å; M107-S146 WeakPolarHBondContact CE-OG 3.23Å; M107-S146 PolarHBondContact SD-OG 3Å; I142-S146 PolarHBondContact O-N 2.99Å; F143-S146 PolarHBondContact O-N 3.32Å; F143-S146 PolarHBondContact O-OG 3.44Å; F144-S146 VanDerWaalsContact C-N 3.3Å; F144-S146 PolarHBondContact O-N 2.85Å; S146-Y149 PolarHBondContact O-N 3.46Å; S146-K150 WeakPolarHBondContact O-CB 3.46Å; S146-K150 PolarHBondContact O-N 2.92Å |
| 147 | L | 89.6 | Confident | 82.4 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -43.8 | -180 | -64.6 | -179.3 | 0 | 0 | 0 | 110.8 | F104 F143 F144 K150 F151 | F104-L147 HydrophobicContact CE1-CD2 4.27Å; F143-L147 HydrophobicContact CD1-CD1 3.88Å; F143-L147 HydrophobicContact CE1-CD1 3.27Å; F143-L147 HydrophobicContact CE1-CG 4.19Å; F143-L147 HydrophobicContact CE2-CD1 4.49Å; F143-L147 HydrophobicContact CZ-CD1 3.62Å; F143-L147 HydrophobicContact CZ-CG 4.31Å; F143-L147 WeakPolarHBondContact O-CG 3.47Å; F143-L147 PolarHBondContact O-N 2.87Å; F143-L147 VanDerWaalsContact O-N 3.15Å; F144-L147 PolarHBondContact O-N 3.3Å; L147-K150 PolarHBondContact O-N 3.45Å; L147-F151 HydrophobicContact CB-CD2 4.25Å; L147-F151 HydrophobicContact CD2-CD2 4.17Å; L147-F151 HydrophobicContact CD2-CE2 3.72Å; L147-F151 WeakPolarHBondContact O-CB 3.48Å; L147-F151 WeakPolarHBondContact O-CD2 3.13Å; L147-F151 PolarHBondContact O-N 3.36Å |
| 148 | I | 89.3 | Confident | 79.9 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 29% | 0.292 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.4 | -42.3 | 178.5 | -69.4 | 164.3 | 0 | 0 | 0 | 110.4 | V30 A31 L34 F144 S145 G152 | V30-I148 HydrophobicContact CB-CG2 4.34Å; V30-I148 HydrophobicContact CG1-CD1 4.14Å; V30-I148 HydrophobicContact CG1-CG2 4.13Å; A31-I148 HydrophobicContact CB-CG2 4.26Å; L34-I148 HydrophobicContact CD1-CD1 3.37Å; F144-I148 WeakPolarHBondContact O-CB 3.34Å; F144-I148 WeakPolarHBondContact O-CD1 3.38Å; F144-I148 VanDerWaalsContact O-CG1 3.25Å; F144-I148 WeakPolarHBondContact O-CG1 3.25Å; F144-I148 PolarHBondContact O-N 2.89Å; S145-I148 PolarHBondContact O-N 3.16Å; I148-G152 WeakPolarHBondContact O-CA 3.38Å; I148-G152 PolarHBondContact O-N 3.41Å |
| 149 | Y | 87.6 | Confident | 77.4 | Confident | 79 Ų | 79 | 60.1 Ų | 60.1 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 177 | -164.3 | -89 | 0 | 0 | 0 | 111.9 | A31 N74 S145 S146 R153 | A31-Y149 HydrophobicContact CB-CD2 3.84Å; A31-Y149 HydrophobicContact CB-CG 4.27Å; N74-Y149 HydrophobicContact CB-CD1 3.61Å; N74-Y149 HydrophobicContact CB-CE1 3.87Å; N74-Y149 VanDerWaalsContact OD1-CD1 3.22Å; N74-Y149 WeakPolarHBondContact OD1-CD1 3.48Å; S145-Y149 VanDerWaalsContact O-CB 3.32Å; S145-Y149 WeakPolarHBondContact O-CB 3.32Å; S145-Y149 PolarHBondContact O-N 3.16Å; S146-Y149 PolarHBondContact O-N 3.46Å; Y149-R153 WeakPolarHBondContact O-CB 3.25Å |
| 150 | K | 85.6 | Confident | 76.5 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71 | -47 | -176.9 | -174.6 | 62.7 | 170 | -161.1 | 0 | 113.2 | I73 N74 V76 N78 S146 L147 | I73-K150 HydrophobicContact CG2-CB 4.16Å; I73-K150 HydrophobicContact CG2-CD 4.01Å; I73-K150 HydrophobicContact CG2-CG 3.95Å; I73-K150 PolarHBondContact O-NZ 3.4Å; N74-K150 PolarHBondContact OD1-N 3.31Å; V76-K150 PolarHBondContact O-NZ 3.36Å; N78-K150 PolarHBondContact ND2-O 3.26Å; N78-K150 WeakPolarHBondContact OD1-CE 3.06Å; S146-K150 WeakPolarHBondContact O-CB 3.46Å; S146-K150 PolarHBondContact O-N 2.92Å; L147-K150 PolarHBondContact O-N 3.45Å |
| 151 | F | 82.3 | Confident | 75.6 | Confident | 144 Ų | 144 | 66.1 Ų | 66.1 | 63% | 0.632 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -96.1 | -26.1 | -174.7 | -64.3 | -64.8 | 0 | 0 | 0 | 113.7 | F104 L147 R153 | F104-F151 HydrophobicContact CZ-CZ 4.42Å; L147-F151 HydrophobicContact CB-CD2 4.25Å; L147-F151 HydrophobicContact CD2-CD2 4.17Å; L147-F151 HydrophobicContact CD2-CE2 3.72Å; L147-F151 WeakPolarHBondContact O-CB 3.48Å; L147-F151 WeakPolarHBondContact O-CD2 3.13Å; L147-F151 PolarHBondContact O-N 3.36Å; F151-R153 VanDerWaalsContact C-N 3.28Å |
| 152 | G | 75.3 | Confident | 74.6 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.6 | -23.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I148 | I148-G152 WeakPolarHBondContact O-CA 3.38Å; I148-G152 PolarHBondContact O-N 3.41Å |
| 153 | R | 73.7 | Confident | 73.4 | Confident | 94 Ų | 94 | 70.6 Ų | 70.6 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | trans | -85.5 | 115.2 | 177.5 | -157 | 177.4 | 80.4 | 125.6 | -3.5 | 111.2 | N24 Y149 F151 E155 | N24-R153 HydrophobicContact CB-CG 4.19Å; N24-R153 WeakPolarHBondContact OD1-CA 3.35Å; Y149-R153 WeakPolarHBondContact O-CB 3.25Å; F151-R153 VanDerWaalsContact C-N 3.28Å; R153-E155 IonicContact CZ-OE1 3.66Å; R153-E155 IonicContact NH2-OE1 2.65Å; R153-E155 PolarHBondContact NH2-OE1 3.4Å | ||
| 154 | T | 63.1 | Low | 72.2 | Confident | 42 Ų | 42 | 73.6 Ų | 73.6 | 26% | 0.258 | 38% | 0.38 | S | S | . | . | trans | -84 | 113.4 | 162.5 | 26.4 | 0 | 0 | 0 | 0 | 110.1 | R23 N24 N156 | R23-T154 PolarHBondContact NE-OG1 2.88Å; R23-T154 PolarHBondContact NH2-OG1 2.78Å; N24-T154 PolarHBondContact ND2-O 3.33Å; N24-T154 PolarHBondContact OD1-N 3.02Å; N24-T154 PolarHBondContact OD1-O 2.87Å; N24-T154 PolarHBondContact OD1-OG1 3.01Å; T154-N156 PolarHBondContact O-N 3.13Å | ||
| 155 | E | 59.3 | Low | 70.8 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 20% | 0.201 | 38% | 0.375 | C | S | . | . | trans | -74.2 | 101.8 | 161.6 | -71.6 | 171.4 | -166.7 | 0 | 0 | 106.4 | S77 N78 G79 R153 L157 | S77-E155 VanDerWaalsContact CA-OE1 3.23Å; S77-E155 WeakPolarHBondContact CA-OE1 3.16Å; S77-E155 WeakPolarHBondContact CB-OE1 3.26Å; S77-E155 VanDerWaalsContact OG-CD 3.28Å; S77-E155 PolarHBondContact OG-OE1 3.46Å; S77-E155 PolarHBondContact OG-OE2 3.47Å; N78-E155 WeakPolarHBondContact CA-OE2 3.43Å; N78-E155 VanDerWaalsContact N-CD 3.27Å; N78-E155 PolarHBondContact N-OE1 3.32Å; N78-E155 PolarHBondContact N-OE2 3.44Å; G79-E155 PolarHBondContact N-OE2 3.1Å; R153-E155 IonicContact CZ-OE1 3.66Å; R153-E155 IonicContact NH2-OE1 2.65Å; R153-E155 PolarHBondContact NH2-OE1 3.4Å; E155-L157 PolarHBondContact O-N 2.89Å | ||
| 156 | N | 47.1 | Very low | 69.2 | Low | 89 Ų | 89 | 76.7 Ų | 76.7 | 48% | 0.476 | 40% | 0.401 | S | S | . | . | trans | -61.6 | 107.9 | 163.8 | -70.3 | -20.6 | 0 | 0 | 0 | 105.7 | T154 W158 | T154-N156 PolarHBondContact O-N 3.13Å; N156-W158 PolarHBondContact O-N 2.88Å | ||
| 157 | L | 45.5 | Very low | 67.5 | Low | 82 Ų | 82 | 82.6 Ų | 82.6 | 43% | 0.429 | 43% | 0.432 | S | S | . | . | trans | -67.3 | 90.1 | 166.7 | -86 | 95.4 | 0 | 0 | 0 | 106.9 | D84 E155 G159 | D84-L157 HydrophobicContact CB-CD2 3.75Å; D84-L157 WeakPolarHBondContact OD2-CD2 3.42Å; E155-L157 PolarHBondContact O-N 2.89Å; L157-G159 VanDerWaalsContact C-N 3.27Å; L157-G159 PolarHBondContact O-N 3.01Å | ||
| 158 | W | 40.5 | Very low | 65.7 | Low | 251 Ų | 251 | 86 Ų | 86 | 95% | 0.951 | 45% | 0.45 | S | S | * | . | trans | -81.5 | 89.6 | 151.8 | -84.2 | 91.5 | 0 | 0 | 0 | 106.6 | N156 | N156-W158 PolarHBondContact O-N 2.88Š| ||
| 159 | G | 38.7 | Very low | 63.5 | Low | 122 Ų | 122 | 88.6 Ų | 88.6 | 100% | 1.258 | 46% | 0.464 | S | S | * | . | trans | 156.4 | 0 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L157 | L157-G159 VanDerWaalsContact C-N 3.27Å; L157-G159 PolarHBondContact O-N 3.01Å |
Retrieved 159 of 159 residues in 404.2 ms
(Link to these results)