| 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 | G | 78.3 | Confident | 85.2 | Confident | 99 Ų | 99 | 109.2 Ų | 109.2 | 100% | 1.021 | 61% | 0.612 | S | S | * | * | 0 | -56.3 | 0 | 0 | 0 | 0 | 0 | 0 | 113.6 | I3 F4 L5 | G1-I3 PolarHBondContact O-N 3.28Å; G1-F4 WeakPolarHBondContact O-CB 3.49Å; G1-F4 PolarHBondContact O-N 2.9Å; G1-L5 PolarHBondContact O-N 3.36Å | |||
| 2 | A | 87.9 | Confident | 84.6 | Confident | 78 Ų | 78 | 114.8 Ų | 114.8 | 65% | 0.645 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.7 | -37.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F4 L5 L6 | A2-F4 VanDerWaalsContact C-N 3.28Å; A2-F4 PolarHBondContact O-N 3.22Å; A2-L5 PolarHBondContact O-N 3.27Å; A2-L6 WeakPolarHBondContact O-CB 3.31Å; A2-L6 PolarHBondContact O-N 2.94Å |
| 3 | I | 90.4 | Very high | 84.2 | Confident | 131 Ų | 131 | 121 Ų | 121 | 67% | 0.672 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59.6 | -40.7 | 177 | -57 | -74.9 | 0 | 0 | 0 | 110.9 | G1 L6 V7 | G1-I3 PolarHBondContact O-N 3.28Å; I3-L6 PolarHBondContact O-N 3.43Å; I3-V7 WeakPolarHBondContact O-CG2 3.32Å; I3-V7 PolarHBondContact O-N 3.35Å |
| 4 | F | 86.5 | Confident | 84.1 | Confident | 142 Ų | 142 | 115.2 Ų | 115.2 | 62% | 0.623 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.5 | -43.5 | 177.8 | -176.2 | -103.5 | 0 | 0 | 0 | 111.6 | G1 A2 L6 V7 L8 | G1-F4 WeakPolarHBondContact O-CB 3.49Å; G1-F4 PolarHBondContact O-N 2.9Å; A2-F4 VanDerWaalsContact C-N 3.28Å; A2-F4 PolarHBondContact O-N 3.22Å; F4-L6 VanDerWaalsContact C-N 3.34Å; F4-L6 PolarHBondContact O-N 2.99Å; F4-V7 PolarHBondContact O-N 3.47Å; F4-L8 HydrophobicContact CD1-CD1 3.8Å; F4-L8 HydrophobicContact CD1-CG 4.47Å; F4-L8 HydrophobicContact CE1-CD1 3.46Å; F4-L8 VanDerWaalsContact CE1-CD1 3.46Å; F4-L8 HydrophobicContact CE1-CG 4.25Å; F4-L8 HydrophobicContact CZ-CD1 4.03Å; F4-L8 HydrophobicContact CZ-CG 4.45Å; F4-L8 WeakPolarHBondContact O-CG 3.46Å; F4-L8 PolarHBondContact O-N 3.27Å |
| 5 | L | 88.7 | Confident | 84 | Confident | 116 Ų | 116 | 111 Ų | 111 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.3 | -39.1 | 174.6 | -66.5 | 173 | 0 | 0 | 0 | 112.1 | G1 A2 L8 Y9 | G1-L5 PolarHBondContact O-N 3.36Å; A2-L5 PolarHBondContact O-N 3.27Å; L5-L8 PolarHBondContact O-N 2.84Å; L5-Y9 VanDerWaalsContact O-CB 3.26Å; L5-Y9 WeakPolarHBondContact O-CB 3.33Å; L5-Y9 PolarHBondContact O-N 3.34Å |
| 6 | L | 86.3 | Confident | 83.8 | Confident | 95 Ų | 95 | 111.8 Ų | 111.8 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.8 | -44.1 | 177.8 | -175.6 | 64.8 | 0 | 0 | 0 | 111.7 | A2 I3 F4 L8 Y9 L10 | A2-L6 WeakPolarHBondContact O-CB 3.31Å; A2-L6 PolarHBondContact O-N 2.94Å; I3-L6 PolarHBondContact O-N 3.43Å; F4-L6 VanDerWaalsContact C-N 3.34Å; F4-L6 PolarHBondContact O-N 2.99Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.17Å; L6-Y9 PolarHBondContact O-N 3.45Å; L6-L10 HydrophobicContact CD1-CD1 4.25Å; L6-L10 HydrophobicContact CD1-CG 4.39Å; L6-L10 HydrophobicContact CG-CD1 4.09Å; L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.26Å; L6-L10 PolarHBondContact O-N 3.41Å |
| 7 | V | 84.8 | Confident | 83.8 | Confident | 78 Ų | 78 | 114.7 Ų | 114.7 | 47% | 0.473 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.1 | -42.1 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | I3 F4 N11 | I3-V7 WeakPolarHBondContact O-CG2 3.32Å; I3-V7 PolarHBondContact O-N 3.35Å; F4-V7 PolarHBondContact O-N 3.47Å; V7-N11 VanDerWaalsContact O-CB 3.31Å; V7-N11 WeakPolarHBondContact O-CB 3.31Å; V7-N11 PolarHBondContact O-N 2.96Å; V7-N11 PolarHBondContact O-ND2 2.92Å |
| 8 | L | 84.1 | Confident | 83.8 | Confident | 68 Ų | 68 | 117.6 Ų | 117.6 | 36% | 0.356 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.2 | -41 | 176.2 | -71.6 | 174.9 | 0 | 0 | 0 | 112.5 | F4 L5 L6 N11 R12 I15 | F4-L8 HydrophobicContact CD1-CD1 3.8Å; F4-L8 HydrophobicContact CD1-CG 4.47Å; F4-L8 HydrophobicContact CE1-CD1 3.46Å; F4-L8 VanDerWaalsContact CE1-CD1 3.46Å; F4-L8 HydrophobicContact CE1-CG 4.25Å; F4-L8 HydrophobicContact CZ-CD1 4.03Å; F4-L8 HydrophobicContact CZ-CG 4.45Å; F4-L8 WeakPolarHBondContact O-CG 3.46Å; F4-L8 PolarHBondContact O-N 3.27Å; L5-L8 PolarHBondContact O-N 2.84Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.17Å; L8-N11 CarbonylContact O-C 3.51Å; L8-N11 PolarHBondContact O-N 3.48Å; L8-R12 PolarHBondContact O-N 3.03Å; L8-I15 HydrophobicContact CB-CD1 4Å; L8-I15 HydrophobicContact CD2-CD1 3.44Å; L8-I15 VanDerWaalsContact CD2-CD1 3.44Å; L8-I15 HydrophobicContact CD2-CG1 4.17Å; L8-I15 HydrophobicContact CG-CD1 4.33Å; L8-I15 WeakPolarHBondContact O-CD1 3.4Å |
| 9 | Y | 82.6 | Confident | 83.8 | Confident | 181 Ų | 181 | 117 Ų | 117 | 71% | 0.71 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.2 | -46 | 180 | -179.1 | -99.2 | 0 | 0 | 0 | 111.6 | L5 L6 N11 | L5-Y9 VanDerWaalsContact O-CB 3.26Å; L5-Y9 WeakPolarHBondContact O-CB 3.33Å; L5-Y9 PolarHBondContact O-N 3.34Å; L6-Y9 PolarHBondContact O-N 3.45Å; Y9-N11 VanDerWaalsContact C-N 3.33Å; Y9-N11 PolarHBondContact O-N 3.37Å |
| 10 | L | 84.2 | Confident | 83.8 | Confident | 124 Ų | 124 | 115.5 Ų | 115.5 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.3 | -30.6 | 177.8 | -65 | 173.1 | 0 | 0 | 0 | 112.2 | L6 | L6-L10 HydrophobicContact CD1-CD1 4.25Å; L6-L10 HydrophobicContact CD1-CG 4.39Å; L6-L10 HydrophobicContact CG-CD1 4.09Å; L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.26Å; L6-L10 PolarHBondContact O-N 3.41Å |
| 11 | N | 83.1 | Confident | 83.7 | Confident | 89 Ų | 89 | 115.1 Ų | 115.1 | 48% | 0.476 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.8 | 27.2 | -179.3 | -76.2 | -76.7 | 0 | 0 | 0 | 114.4 | V7 L8 Y9 K13 G14 I15 | V7-N11 VanDerWaalsContact O-CB 3.31Å; V7-N11 WeakPolarHBondContact O-CB 3.31Å; V7-N11 PolarHBondContact O-N 2.96Å; V7-N11 PolarHBondContact O-ND2 2.92Å; L8-N11 CarbonylContact O-C 3.51Å; L8-N11 PolarHBondContact O-N 3.48Å; Y9-N11 VanDerWaalsContact C-N 3.33Å; Y9-N11 PolarHBondContact O-N 3.37Å; N11-K13 PolarHBondContact O-N 3.26Å; N11-K13 VanDerWaalsContact O-N 3.15Å; N11-G14 WeakPolarHBondContact O-CA 3.35Å; N11-G14 PolarHBondContact O-N 3.2Å; N11-I15 HydrophobicContact CB-CD1 4.41Å; N11-I15 WeakPolarHBondContact O-CD1 3.19Å; N11-I15 WeakPolarHBondContact O-CG1 3.5Å; N11-I15 PolarHBondContact O-N 3.15Å |
| 12 | R | 78.8 | Confident | 84.1 | Confident | 177 Ų | 177 | 113.7 Ų | 113.7 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -54.4 | -35.7 | -179.9 | -171.7 | 178.3 | -175.8 | -156.2 | 2.5 | 114.1 | L8 K16 | L8-R12 PolarHBondContact O-N 3.03Å; R12-K16 PolarHBondContact O-N 3.43Å |
| 13 | K | 79.4 | Confident | 83.8 | Confident | 195 Ų | 195 | 116.3 Ų | 116.3 | 85% | 0.848 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.1 | -40.8 | 174.6 | -85.1 | -173.6 | 175.3 | -179.8 | 0 | 112.2 | N11 K17 | N11-K13 PolarHBondContact O-N 3.26Å; N11-K13 VanDerWaalsContact O-N 3.15Å; K13-K17 PolarHBondContact O-N 3.34Å |
| 14 | G | 81.8 | Confident | 83.4 | Confident | 40 Ų | 40 | 113.7 Ų | 113.7 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N11 K16 K17 W18 | N11-G14 WeakPolarHBondContact O-CA 3.35Å; N11-G14 PolarHBondContact O-N 3.2Å; G14-K16 PolarHBondContact O-N 3.46Å; G14-K17 PolarHBondContact O-N 2.83Å; G14-W18 WeakPolarHBondContact O-CB 3.2Å; G14-W18 PolarHBondContact O-N 2.97Å |
| 15 | I | 82.8 | Confident | 83.2 | Confident | 52 Ų | 52 | 109.8 Ų | 109.8 | 27% | 0.267 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | -178.9 | -63.6 | 155.2 | 0 | 0 | 0 | 111.7 | L8 N11 K17 W18 M19 | L8-I15 HydrophobicContact CB-CD1 4Å; L8-I15 HydrophobicContact CD2-CD1 3.44Å; L8-I15 VanDerWaalsContact CD2-CD1 3.44Å; L8-I15 HydrophobicContact CD2-CG1 4.17Å; L8-I15 HydrophobicContact CG-CD1 4.33Å; L8-I15 WeakPolarHBondContact O-CD1 3.4Å; N11-I15 HydrophobicContact CB-CD1 4.41Å; N11-I15 WeakPolarHBondContact O-CD1 3.19Å; N11-I15 WeakPolarHBondContact O-CG1 3.5Å; N11-I15 PolarHBondContact O-N 3.15Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.38Å; I15-W18 PolarHBondContact O-N 3.35Å; I15-M19 WeakPolarHBondContact O-CB 3.32Å; I15-M19 PolarHBondContact O-N 3.22Å |
| 16 | K | 81.2 | Confident | 82.6 | Confident | 123 Ų | 123 | 107.6 Ų | 107.6 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 173.9 | -81.2 | -172.3 | -178.7 | -173.2 | 0 | 111.8 | R12 G14 H20 | R12-K16 PolarHBondContact O-N 3.43Å; G14-K16 PolarHBondContact O-N 3.46Å; K16-H20 PolarHBondContact O-N 3.47Å; K16-H20 VanDerWaalsContact O-N 3.08Å |
| 17 | K | 83.4 | Confident | 82 | Confident | 162 Ų | 162 | 109.7 Ų | 109.7 | 70% | 0.704 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66 | -43.4 | 176.5 | -172.1 | 173.7 | -179.6 | 178.4 | 0 | 111.1 | K13 G14 I15 H20 N21 | K13-K17 PolarHBondContact O-N 3.34Å; G14-K17 PolarHBondContact O-N 2.83Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.38Å; K17-H20 PolarHBondContact O-N 2.81Å; K17-N21 WeakPolarHBondContact O-CB 3.49Å; K17-N21 PolarHBondContact O-N 3.39Å |
| 18 | W | 85.1 | Confident | 81.3 | Confident | 167 Ų | 167 | 111.7 Ų | 111.7 | 63% | 0.633 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 177.3 | 179.9 | 73.5 | 0 | 0 | 0 | 112.5 | G14 I15 H20 N21 I22 | G14-W18 WeakPolarHBondContact O-CB 3.2Å; G14-W18 PolarHBondContact O-N 2.97Å; I15-W18 PolarHBondContact O-N 3.35Å; W18-H20 PolarHBondContact O-N 2.83Å; W18-N21 PolarHBondContact O-N 2.78Å; W18-I22 HydrophobicContact CD2-CD1 3.77Å; W18-I22 HydrophobicContact CD2-CG1 4.44Å; W18-I22 HydrophobicContact CE3-CD1 4.19Å; W18-I22 HydrophobicContact CG-CD1 4.46Å; W18-I22 HydrophobicContact CH2-CD1 3.64Å; W18-I22 HydrophobicContact CZ2-CD1 3.14Å; W18-I22 HydrophobicContact CZ2-CG1 4.46Å; W18-I22 HydrophobicContact CZ3-CD1 4.13Å; W18-I22 WeakPolarHBondContact O-CB 3.38Å; W18-I22 WeakPolarHBondContact O-CG1 3.37Å; W18-I22 PolarHBondContact O-N 2.91Å |
| 19 | M | 82.9 | Confident | 80.6 | Confident | 106 Ų | 106 | 114 Ų | 114 | 52% | 0.522 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 177.7 | -173.8 | 176.1 | 69.3 | 0 | 0 | 112 | I15 R23 | I15-M19 WeakPolarHBondContact O-CB 3.32Å; I15-M19 PolarHBondContact O-N 3.22Å; M19-R23 VanDerWaalsContact O-CB 3.29Å; M19-R23 WeakPolarHBondContact O-CB 3.46Å; M19-R23 PolarHBondContact O-N 3.28Å |
| 20 | H | 83.4 | Confident | 79.7 | Confident | 86 Ų | 86 | 112.3 Ų | 112.3 | 40% | 0.398 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 170.9 | -74.5 | 163.9 | 0 | 0 | 0 | 111.7 | K16 K17 W18 I22 R23 D24 | K16-H20 PolarHBondContact O-N 3.47Å; K16-H20 VanDerWaalsContact O-N 3.08Å; K17-H20 PolarHBondContact O-N 2.81Å; W18-H20 PolarHBondContact O-N 2.83Å; H20-I22 VanDerWaalsContact C-N 3.32Å; H20-I22 PolarHBondContact O-N 3.39Å; H20-R23 PolarHBondContact CD2-NH2 3.49Å; H20-R23 PolarHBondContact NE2-NH2 2.95Å; H20-R23 WeakPolarHBondContact O-CB 3.3Å; H20-R23 PolarHBondContact O-N 3.35Å; H20-R23 VanDerWaalsContact O-N 3.11Å; H20-D24 PolarHBondContact O-N 3.09Å |
| 21 | N | 83.1 | Confident | 78.6 | Confident | 109 Ų | 109 | 111 Ų | 111 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.3 | -37.6 | 179.8 | -146.1 | 81.3 | 0 | 0 | 0 | 112.8 | K17 W18 A25 | K17-N21 WeakPolarHBondContact O-CB 3.49Å; K17-N21 PolarHBondContact O-N 3.39Å; W18-N21 PolarHBondContact O-N 2.78Å; N21-A25 WeakPolarHBondContact O-CB 3.43Å; N21-A25 PolarHBondContact O-N 3.38Å |
| 22 | I | 85 | Confident | 77.5 | Confident | 69 Ų | 69 | 108.7 Ų | 108.7 | 35% | 0.354 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 173.3 | -75.6 | -171.9 | 0 | 0 | 0 | 111.1 | W18 H20 D24 A25 C26 | W18-I22 HydrophobicContact CD2-CD1 3.77Å; W18-I22 HydrophobicContact CD2-CG1 4.44Å; W18-I22 HydrophobicContact CE3-CD1 4.19Å; W18-I22 HydrophobicContact CG-CD1 4.46Å; W18-I22 HydrophobicContact CH2-CD1 3.64Å; W18-I22 HydrophobicContact CZ2-CD1 3.14Å; W18-I22 HydrophobicContact CZ2-CG1 4.46Å; W18-I22 HydrophobicContact CZ3-CD1 4.13Å; W18-I22 WeakPolarHBondContact O-CB 3.38Å; W18-I22 WeakPolarHBondContact O-CG1 3.37Å; W18-I22 PolarHBondContact O-N 2.91Å; H20-I22 VanDerWaalsContact C-N 3.32Å; H20-I22 PolarHBondContact O-N 3.39Å; I22-D24 PolarHBondContact O-N 3.38Å; I22-A25 PolarHBondContact O-N 3.48Å; I22-C26 VanDerWaalsContact O-CB 3.3Å; I22-C26 WeakPolarHBondContact O-CB 3.29Å; I22-C26 PolarHBondContact O-N 2.96Å; I22-C26 PolarHBondContact O-SG 3.08Å; I22-C26 VanDerWaalsContact O-SG 3.39Å |
| 23 | R | 82.4 | Confident | 76.4 | Confident | 132 Ų | 132 | 106.8 Ų | 106.8 | 50% | 0.498 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 177.7 | -177.3 | 178.9 | 64.4 | -166.1 | -1.1 | 111.1 | M19 H20 R27 | M19-R23 VanDerWaalsContact O-CB 3.29Å; M19-R23 WeakPolarHBondContact O-CB 3.46Å; M19-R23 PolarHBondContact O-N 3.28Å; H20-R23 PolarHBondContact CD2-NH2 3.49Å; H20-R23 PolarHBondContact NE2-NH2 2.95Å; H20-R23 WeakPolarHBondContact O-CB 3.3Å; H20-R23 PolarHBondContact O-N 3.35Å; H20-R23 VanDerWaalsContact O-N 3.11Å; R23-R27 VanDerWaalsContact O-CB 3.3Å; R23-R27 WeakPolarHBondContact O-CB 3.29Å; R23-R27 PolarHBondContact O-N 2.89Å |
| 24 | D | 81.9 | Confident | 75.5 | Confident | 76 Ų | 76 | 103 Ų | 103 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.1 | -44 | 179.2 | -60.1 | -17.3 | 0 | 0 | 0 | 110.5 | H20 I22 C26 R27 D28 | H20-D24 PolarHBondContact O-N 3.09Å; I22-D24 PolarHBondContact O-N 3.38Å; D24-C26 VanDerWaalsContact C-N 3.33Å; D24-C26 PolarHBondContact O-N 3Å; D24-R27 WeakPolarHBondContact O-CB 3.28Å; D24-R27 PolarHBondContact O-N 3.32Å; D24-R27 VanDerWaalsContact O-N 3.13Å; D24-D28 PolarHBondContact O-N 3.45Å |
| 25 | A | 82.1 | Confident | 74.2 | Confident | 60 Ų | 60 | 108.9 Ų | 108.9 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N21 I22 H29 | N21-A25 WeakPolarHBondContact O-CB 3.43Å; N21-A25 PolarHBondContact O-N 3.38Å; I22-A25 PolarHBondContact O-N 3.48Å; A25-H29 WeakPolarHBondContact O-CB 3.39Å; A25-H29 PolarHBondContact O-N 3.13Å; A25-H29 VanDerWaalsContact O-N 3.09Å |
| 26 | C | 76.6 | Confident | 72.8 | Confident | 71 Ų | 71 | 115.1 Ų | 115.1 | 48% | 0.48 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.2 | -33.3 | 174.1 | -76.4 | 0 | 0 | 0 | 0 | 112.2 | I22 D24 H29 M30 | I22-C26 VanDerWaalsContact O-CB 3.3Å; I22-C26 WeakPolarHBondContact O-CB 3.29Å; I22-C26 PolarHBondContact O-N 2.96Å; I22-C26 PolarHBondContact O-SG 3.08Å; I22-C26 VanDerWaalsContact O-SG 3.39Å; D24-C26 VanDerWaalsContact C-N 3.33Å; D24-C26 PolarHBondContact O-N 3Å; C26-H29 PolarHBondContact O-N 2.91Å; C26-M30 WeakPolarHBondContact O-CB 3.48Å; C26-M30 PolarHBondContact O-N 3.24Å |
| 27 | R | 73.2 | Confident | 71.5 | Confident | 138 Ų | 138 | 117.4 Ų | 117.4 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.9 | -46.9 | 174.4 | 174.9 | 179.3 | -73.1 | -82.9 | 0.4 | 110.7 | R23 D24 H29 M30 E31 | R23-R27 VanDerWaalsContact O-CB 3.3Å; R23-R27 WeakPolarHBondContact O-CB 3.29Å; R23-R27 PolarHBondContact O-N 2.89Å; D24-R27 WeakPolarHBondContact O-CB 3.28Å; D24-R27 PolarHBondContact O-N 3.32Å; D24-R27 VanDerWaalsContact O-N 3.13Å; R27-H29 PolarHBondContact O-N 3.11Å; R27-M30 PolarHBondContact O-N 2.92Å; R27-M30 VanDerWaalsContact O-N 3.13Å; R27-E31 WeakPolarHBondContact CD-OE1 3.3Å; R27-E31 HydrophobicContact CG-CG 4.31Å; R27-E31 VanDerWaalsContact CG-OE1 3.25Å; R27-E31 WeakPolarHBondContact CG-OE1 3.4Å; R27-E31 IonicContact CZ-OE1 3.95Å; R27-E31 IonicContact NH1-OE1 2.95Å; R27-E31 PolarHBondContact NH1-OE1 3.25Å; R27-E31 WeakPolarHBondContact O-CB 3.46Å; R27-E31 PolarHBondContact O-N 2.84Å |
| 28 | D | 71.5 | Confident | 70.2 | Confident | 120 Ų | 120 | 116 Ų | 116 | 64% | 0.642 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.3 | -41 | 174.1 | -86.8 | 11.6 | 0 | 0 | 0 | 111.3 | D24 G32 | D24-D28 PolarHBondContact O-N 3.45Å; D28-G32 PolarHBondContact O-N 3.21Å |
| 29 | H | 68.1 | Low | 68.8 | Low | 116 Ų | 116 | 112 Ų | 112 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -49.2 | 174.7 | -163.1 | -118.7 | 0 | 0 | 0 | 111.3 | A25 C26 R27 E31 G32 Y33 | A25-H29 WeakPolarHBondContact O-CB 3.39Å; A25-H29 PolarHBondContact O-N 3.13Å; A25-H29 VanDerWaalsContact O-N 3.09Å; C26-H29 PolarHBondContact O-N 2.91Å; R27-H29 PolarHBondContact O-N 3.11Å; H29-E31 PolarHBondContact O-N 3.13Å; H29-G32 PolarHBondContact O-N 2.81Å; H29-Y33 AromaticContact CD2-CE2 3.95Å; H29-Y33 AromaticContact CE1-CD2 3.97Å; H29-Y33 AromaticContact CE1-CE2 3.29Å; H29-Y33 WeakPolarHBondContact CE1-CE2 3.43Å; H29-Y33 AromaticContact ND1-CE2 3.83Å; H29-Y33 AromaticContact NE2-CE2 3.37Å; H29-Y33 WeakPolarHBondContact NE2-CE2 3.4Å; H29-Y33 VanDerWaalsContact O-CD2 3.28Å; H29-Y33 WeakPolarHBondContact O-CD2 3.24Å; H29-Y33 PolarHBondContact O-N 2.87Å |
| 30 | M | 64.4 | Low | 67.5 | Low | 147 Ų | 147 | 111.2 Ų | 111.2 | 72% | 0.724 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -39.6 | 179.3 | -92.3 | -165.6 | 161.3 | 0 | 0 | 113.5 | C26 R27 Y33 H34 | C26-M30 WeakPolarHBondContact O-CB 3.48Å; C26-M30 PolarHBondContact O-N 3.24Å; R27-M30 PolarHBondContact O-N 2.92Å; R27-M30 VanDerWaalsContact O-N 3.13Å; M30-Y33 PolarHBondContact O-N 3.49Å; M30-H34 WeakPolarHBondContact O-CB 3.4Å; M30-H34 PolarHBondContact O-N 2.99Å |
| 31 | E | 60.3 | Low | 66.2 | Low | 97 Ų | 97 | 110.5 Ų | 110.5 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.9 | -35.3 | 175.8 | -77.9 | 170.7 | -164.2 | 0 | 0 | 110.8 | R27 H29 Y33 H34 Y35 | R27-E31 WeakPolarHBondContact CD-OE1 3.3Å; R27-E31 HydrophobicContact CG-CG 4.31Å; R27-E31 VanDerWaalsContact CG-OE1 3.25Å; R27-E31 WeakPolarHBondContact CG-OE1 3.4Å; R27-E31 IonicContact CZ-OE1 3.95Å; R27-E31 IonicContact NH1-OE1 2.95Å; R27-E31 PolarHBondContact NH1-OE1 3.25Å; R27-E31 WeakPolarHBondContact O-CB 3.46Å; R27-E31 PolarHBondContact O-N 2.84Å; H29-E31 PolarHBondContact O-N 3.13Å; E31-Y33 PolarHBondContact O-N 3.25Å; E31-H34 PolarHBondContact O-N 3.33Å; E31-Y35 VanDerWaalsContact O-CB 3.31Å; E31-Y35 WeakPolarHBondContact O-CB 3.25Å; E31-Y35 PolarHBondContact O-N 3.5Å |
| 32 | G | 61.2 | Low | 65 | Low | 40 Ų | 40 | 108.9 Ų | 108.9 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D28 H29 R36 | D28-G32 PolarHBondContact O-N 3.21Å; H29-G32 PolarHBondContact O-N 2.81Å; G32-R36 VanDerWaalsContact O-CB 3.24Å; G32-R36 WeakPolarHBondContact O-CB 3.45Å; G32-R36 PolarHBondContact O-N 2.99Å |
| 33 | Y | 55.8 | Low | 63.7 | Low | 137 Ų | 137 | 110.2 Ų | 110.2 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72 | -39.3 | 172.6 | -90 | -96.7 | 0 | 0 | 0 | 112.3 | H29 M30 E31 R36 Y37 | H29-Y33 AromaticContact CD2-CE2 3.95Å; H29-Y33 AromaticContact CE1-CD2 3.97Å; H29-Y33 AromaticContact CE1-CE2 3.29Å; H29-Y33 WeakPolarHBondContact CE1-CE2 3.43Å; H29-Y33 AromaticContact ND1-CE2 3.83Å; H29-Y33 AromaticContact NE2-CE2 3.37Å; H29-Y33 WeakPolarHBondContact NE2-CE2 3.4Å; H29-Y33 VanDerWaalsContact O-CD2 3.28Å; H29-Y33 WeakPolarHBondContact O-CD2 3.24Å; H29-Y33 PolarHBondContact O-N 2.87Å; M30-Y33 PolarHBondContact O-N 3.49Å; E31-Y33 PolarHBondContact O-N 3.25Å; Y33-R36 PolarHBondContact O-N 2.81Å; Y33-Y37 WeakPolarHBondContact O-CD2 3.31Å; Y33-Y37 PolarHBondContact O-N 2.95Å |
| 34 | H | 58.7 | Low | 62.5 | Low | 116 Ų | 116 | 113.9 Ų | 113.9 | 54% | 0.537 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -44.2 | 179.7 | -162.7 | 25.3 | 0 | 0 | 0 | 111.2 | M30 E31 R36 Y37 E38 | M30-H34 WeakPolarHBondContact O-CB 3.4Å; M30-H34 PolarHBondContact O-N 2.99Å; E31-H34 PolarHBondContact O-N 3.33Å; H34-R36 VanDerWaalsContact C-N 3.34Å; H34-R36 PolarHBondContact O-N 2.91Å; H34-Y37 PolarHBondContact O-N 3.15Å; H34-E38 IonicContact CE1-OE1 3.75Å; H34-E38 IonicContact NE2-OE1 4Å; H34-E38 PolarHBondContact O-N 3.4Å |
| 35 | Y | 54.3 | Low | 61.2 | Low | 162 Ų | 162 | 115.2 Ų | 115.2 | 64% | 0.635 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63 | -39.4 | 175.7 | -170.2 | -104.9 | 0 | 0 | 0 | 112.5 | E31 Y37 E38 I39 | E31-Y35 VanDerWaalsContact O-CB 3.31Å; E31-Y35 WeakPolarHBondContact O-CB 3.25Å; E31-Y35 PolarHBondContact O-N 3.5Å; Y35-Y37 VanDerWaalsContact C-N 3.33Å; Y35-Y37 PolarHBondContact O-N 3.44Å; Y35-E38 PolarHBondContact O-N 3.19Å; Y35-I39 HydrophobicContact CD1-CD1 3.86Å; Y35-I39 HydrophobicContact CE1-CD1 3.31Å; Y35-I39 HydrophobicContact CE2-CD1 4.4Å; Y35-I39 WeakPolarHBondContact O-CB 3.5Å; Y35-I39 PolarHBondContact O-N 3.39Å; Y35-I39 VanDerWaalsContact O-N 3.1Å |
| 36 | R | 55.4 | Low | 59.9 | Low | 183 Ų | 183 | 115.3 Ų | 115.3 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75.2 | -21.9 | 179.2 | -165.6 | 161.1 | 131.1 | 151.8 | -2.6 | 113.2 | G32 Y33 H34 N40 | G32-R36 VanDerWaalsContact O-CB 3.24Å; G32-R36 WeakPolarHBondContact O-CB 3.45Å; G32-R36 PolarHBondContact O-N 2.99Å; Y33-R36 PolarHBondContact O-N 2.81Å; H34-R36 VanDerWaalsContact C-N 3.34Å; H34-R36 PolarHBondContact O-N 2.91Å; R36-N40 PolarHBondContact O-ND2 2.76Å |
| 37 | Y | 52 | Low | 58.9 | Low | 172 Ų | 172 | 117 Ų | 117 | 68% | 0.675 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -80.2 | -43.3 | 169.6 | -99 | -89.5 | 0 | 0 | 0 | 111.9 | Y33 H34 Y35 I39 N40 A41 | Y33-Y37 WeakPolarHBondContact O-CD2 3.31Å; Y33-Y37 PolarHBondContact O-N 2.95Å; H34-Y37 PolarHBondContact O-N 3.15Å; Y35-Y37 VanDerWaalsContact C-N 3.33Å; Y35-Y37 PolarHBondContact O-N 3.44Å; Y37-I39 VanDerWaalsContact C-N 3.31Å; Y37-I39 PolarHBondContact O-N 2.83Å; Y37-N40 PolarHBondContact O-N 3.24Å; Y37-A41 WeakPolarHBondContact O-CA 3.05Å; Y37-A41 WeakPolarHBondContact O-CB 3.48Å; Y37-A41 PolarHBondContact O-N 3.39Å |
| 38 | E | 57 | Low | 58.1 | Low | 131 Ų | 131 | 116.8 Ų | 116.8 | 61% | 0.612 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.3 | -34.3 | 177.8 | -70.6 | -169.1 | 151.6 | 0 | 0 | 112.8 | H34 Y35 | H34-E38 IonicContact CE1-OE1 3.75Å; H34-E38 IonicContact NE2-OE1 4Å; H34-E38 PolarHBondContact O-N 3.4Å; Y35-E38 PolarHBondContact O-N 3.19Å |
| 39 | I | 55.8 | Low | 57.3 | Low | 85 Ų | 85 | 114.9 Ų | 114.9 | 44% | 0.436 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.4 | -34 | 174.7 | -90.8 | 170.1 | 0 | 0 | 0 | 113.7 | Y35 Y37 | Y35-I39 HydrophobicContact CD1-CD1 3.86Å; Y35-I39 HydrophobicContact CE1-CD1 3.31Å; Y35-I39 HydrophobicContact CE2-CD1 4.4Å; Y35-I39 WeakPolarHBondContact O-CB 3.5Å; Y35-I39 PolarHBondContact O-N 3.39Å; Y35-I39 VanDerWaalsContact O-N 3.1Å; Y37-I39 VanDerWaalsContact C-N 3.31Å; Y37-I39 PolarHBondContact O-N 2.83Å |
| 40 | N | 54.6 | Low | 56.7 | Low | 88 Ų | 88 | 113.6 Ų | 113.6 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -103 | -9.8 | -175 | -69.1 | -60.6 | 0 | 0 | 0 | 113.6 | R36 Y37 D42 | R36-N40 PolarHBondContact O-ND2 2.76Å; Y37-N40 PolarHBondContact O-N 3.24Å; N40-D42 PolarHBondContact O-N 3.1Å |
| 41 | A | 56.7 | Low | 56.2 | Low | 71 Ų | 71 | 111.7 Ų | 111.7 | 59% | 0.587 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -75 | -11.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y37 P43 | Y37-A41 WeakPolarHBondContact O-CA 3.05Å; Y37-A41 WeakPolarHBondContact O-CB 3.48Å; Y37-A41 PolarHBondContact O-N 3.39Å; A41-P43 WeakPolarHBondContact O-CD 3.17Å |
| 42 | D | 57.5 | Low | 56 | Low | 75 Ų | 75 | 111.3 Ų | 111.3 | 40% | 0.401 | 57% | 0.571 | S | S | . | * | trans | -90 | 103.1 | 173.5 | -151.3 | -23.8 | 0 | 0 | 0 | 109.5 | N40 R44 L45 T46 | N40-D42 PolarHBondContact O-N 3.1Å; D42-R44 PolarHBondContact O-N 3.49Å; D42-L45 HydrophobicContact CB-CB 4.38Å; D42-L45 HydrophobicContact CB-CD1 4.06Å; D42-L45 PolarHBondContact O-N 2.95Å; D42-T46 PolarHBondContact O-N 3.36Å; D42-T46 PolarHBondContact O-OG1 3.16Å | ||
| 43 | P | 57.5 | Low | 55.6 | Low | 97 Ų | 97 | 116.3 Ų | 116.3 | 63% | 0.63 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.2 | -12.5 | -175.9 | 25.5 | -34.5 | 0 | 0 | 0 | 113.1 | A41 | A41-P43 WeakPolarHBondContact O-CD 3.17Å |
| 44 | R | 58.1 | Low | 55.1 | Low | 209 Ų | 209 | 119 Ų | 119 | 79% | 0.789 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -79.3 | -30.2 | 174.8 | -60.3 | -176.5 | 67.9 | 103.1 | 2.1 | 113 | D42 | D42-R44 PolarHBondContact O-N 3.49Å |
| 45 | L | 55.2 | Low | 54.9 | Low | 105 Ų | 105 | 119.2 Ų | 119.2 | 55% | 0.55 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -81.9 | -34.8 | 179.9 | -101.7 | 137 | 0 | 0 | 0 | 112 | D42 N47 L48 S49 | D42-L45 HydrophobicContact CB-CB 4.38Å; D42-L45 HydrophobicContact CB-CD1 4.06Å; D42-L45 PolarHBondContact O-N 2.95Å; L45-N47 VanDerWaalsContact C-N 3.28Å; L45-N47 PolarHBondContact O-N 3.45Å; L45-L48 PolarHBondContact O-N 3.37Å; L45-S49 PolarHBondContact O-N 3.47Å |
| 46 | T | 54.8 | Low | 55 | Low | 62 Ų | 62 | 116.9 Ų | 116.9 | 38% | 0.38 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.2 | -35.8 | 177.9 | -10.4 | 0 | 0 | 0 | 0 | 111.9 | D42 S50 | D42-T46 PolarHBondContact O-N 3.36Å; D42-T46 PolarHBondContact O-OG1 3.16Å; T46-S50 PolarHBondContact O-OG 3.41Å |
| 47 | N | 55.3 | Low | 55 | Low | 107 Ų | 107 | 113.3 Ų | 113.3 | 57% | 0.572 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75 | -21.4 | 179.2 | -126.7 | -83 | 0 | 0 | 0 | 113.9 | L45 N51 | L45-N47 VanDerWaalsContact C-N 3.28Å; L45-N47 PolarHBondContact O-N 3.45Å; N47-N51 PolarHBondContact O-ND2 3.36Å |
| 48 | L | 55.8 | Low | 55.1 | Low | 132 Ų | 132 | 109.8 Ų | 109.8 | 69% | 0.691 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -78.3 | -39.2 | 178.2 | -141.9 | 80.1 | 0 | 0 | 0 | 111.1 | L45 S50 N51 S52 | L45-L48 PolarHBondContact O-N 3.37Å; L48-S50 VanDerWaalsContact C-N 3.32Å; L48-S50 PolarHBondContact O-N 3.01Å; L48-N51 PolarHBondContact O-N 3.21Å; L48-S52 PolarHBondContact O-N 3.47Å; L48-S52 PolarHBondContact O-OG 2.96Å |
| 49 | S | 54.8 | Low | 55 | Low | 80 Ų | 80 | 108.5 Ų | 108.5 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.1 | -32.4 | 176.7 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | L45 S52 | L45-S49 PolarHBondContact O-N 3.47Å; S49-S52 PolarHBondContact O-OG 2.97Å |
| 50 | S | 55.9 | Low | 55 | Low | 90 Ų | 90 | 110.1 Ų | 110.1 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -12.5 | 178.4 | -48.3 | 0 | 0 | 0 | 0 | 114.8 | T46 L48 | T46-S50 PolarHBondContact O-OG 3.41Å; L48-S50 VanDerWaalsContact C-N 3.32Å; L48-S50 PolarHBondContact O-N 3.01Å |
| 51 | N | 54.3 | Low | 55 | Low | 107 Ų | 107 | 111.6 Ų | 111.6 | 57% | 0.572 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -6.1 | 178.8 | -84.1 | -64.9 | 0 | 0 | 0 | 113.4 | N47 L48 D53 | N47-N51 PolarHBondContact O-ND2 3.36Å; L48-N51 PolarHBondContact O-N 3.21Å; N51-D53 VanDerWaalsContact C-N 3.3Å |
| 52 | S | 55.4 | Low | 54.9 | Low | 89 Ų | 89 | 114.8 Ų | 114.8 | 62% | 0.622 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -85.2 | 2.2 | 177.3 | 51 | 0 | 0 | 0 | 0 | 114.4 | L48 S49 | L48-S52 PolarHBondContact O-N 3.47Å; L48-S52 PolarHBondContact O-OG 2.96Å; S49-S52 PolarHBondContact O-OG 2.97Å |
| 53 | D | 53.2 | Low | 54.6 | Low | 145 Ų | 145 | 118.1 Ų | 118.1 | 78% | 0.775 | 66% | 0.662 | S | S | * | * | trans | -113.2 | 50.8 | 175.2 | -74.2 | -54 | 0 | 0 | 0 | 111.7 | N51 | N51-D53 VanDerWaalsContact C-N 3.3Š| ||
| 54 | V | 45.3 | Very low | 54.4 | Low | 194 Ų | 194 | 120 Ų | 120 | 100% | 1.176 | 67% | 0.665 | S | S | * | * | trans | -137.4 | 0 | 162.3 | -79.1 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 54 of 54 residues in 62.6 ms
(Link to these results)