| 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 | 43.3 | Very low | 51.1 | Low | 233 Ų | 233 | 111.2 Ų | 111.2 | 100% | 1.148 | 64% | 0.637 | S | S | * | * | 0 | 114.3 | 0 | -64.2 | 171.1 | -139.7 | 0 | 0 | 106.2 | M3 | M1-M3 PolarHBondContact O-N 2.81Š| |||
| 2 | N | 44.4 | Very low | 51.9 | Low | 160 Ų | 160 | 108.9 Ų | 108.9 | 86% | 0.856 | 63% | 0.633 | S | S | * | * | trans | -85.3 | 102.8 | -176.3 | -151.6 | 53.9 | 0 | 0 | 0 | 107.3 | S4 | N2-S4 PolarHBondContact O-N 3.21Å; N2-S4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | M | 44.9 | Very low | 52.8 | Low | 159 Ų | 159 | 106.9 Ų | 106.9 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | trans | -74.7 | 100 | 177.6 | -72.3 | 170.2 | 129.5 | 0 | 0 | 108.6 | M1 S5 | M1-M3 PolarHBondContact O-N 2.81Å; M3-S5 PolarHBondContact O-N 3Å | ||
| 4 | S | 47.2 | Very low | 53.7 | Low | 84 Ų | 84 | 103 Ų | 103 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | trans | -80.7 | 105 | 168.8 | -82.1 | 0 | 0 | 0 | 0 | 109.1 | N2 T6 | N2-S4 PolarHBondContact O-N 3.21Å; N2-S4 VanDerWaalsContact O-N 3.13Å; S4-T6 PolarHBondContact O-N 3.32Å | ||
| 5 | S | 48.8 | Very low | 54.5 | Low | 86 Ų | 86 | 96.9 Ų | 96.9 | 60% | 0.601 | 57% | 0.574 | S | S | * | * | trans | -82.2 | 104.9 | 169.8 | -57.1 | 0 | 0 | 0 | 0 | 109.2 | M3 | M3-S5 PolarHBondContact O-N 3Š| ||
| 6 | T | 51.3 | Low | 55.1 | Low | 79 Ų | 79 | 95.3 Ų | 95.3 | 49% | 0.485 | 57% | 0.568 | S | S | . | * | trans | -86.6 | 112.6 | 171.8 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | S4 S8 | S4-T6 PolarHBondContact O-N 3.32Å; T6-S8 PolarHBondContact O-N 2.86Å | ||
| 7 | H | 52.7 | Low | 55.8 | Low | 132 Ų | 132 | 94.3 Ų | 94.3 | 61% | 0.611 | 57% | 0.567 | S | S | * | * | trans | -82.1 | 110.2 | 172.2 | -169.3 | -168.5 | 0 | 0 | 0 | 108.6 | ||||
| 8 | S | 54.1 | Low | 56.3 | Low | 51 Ų | 51 | 96.1 Ų | 96.1 | 36% | 0.357 | 56% | 0.563 | S | S | . | * | trans | -122.9 | 115.8 | 176.3 | -62.6 | 0 | 0 | 0 | 0 | 109.7 | T6 I10 F53 | T6-S8 PolarHBondContact O-N 2.86Å; S8-I10 PolarHBondContact O-N 2.82Å; S8-F53 WeakPolarHBondContact O-CE1 3.45Å | ||
| 9 | S | 56.2 | Low | 56.8 | Low | 116 Ų | 116 | 93.2 Ų | 93.2 | 81% | 0.811 | 55% | 0.545 | S | S | * | . | trans | -71.8 | 92.5 | 172.8 | -48.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 10 | I | 60 | Low | 57.3 | Low | 48 Ų | 48 | 92.1 Ų | 92.1 | 25% | 0.246 | 54% | 0.543 | C | S | . | . | trans | -99.2 | 140.2 | 172.8 | -131.5 | -172.1 | 0 | 0 | 0 | 109.7 | S8 S14 L15 Y18 F53 | S8-I10 PolarHBondContact O-N 2.82Å; I10-S14 VanDerWaalsContact CG1-CB 3.48Å; I10-L15 HydrophobicContact CG2-CB 3.72Å; I10-L15 HydrophobicContact CG2-CD1 3.56Å; I10-L15 HydrophobicContact CG2-CG 4.3Å; I10-Y18 HydrophobicContact CD1-CD2 3.81Å; I10-Y18 HydrophobicContact CD1-CE2 4.44Å; I10-Y18 HydrophobicContact CD1-CG 4.41Å; I10-F53 HydrophobicContact CB-CD1 3.98Å; I10-F53 HydrophobicContact CB-CE1 3.49Å; I10-F53 VanDerWaalsContact CB-CE1 3.49Å; I10-F53 HydrophobicContact CB-CZ 4.46Å; I10-F53 HydrophobicContact CG2-CD1 3.44Å; I10-F53 VanDerWaalsContact CG2-CD1 3.44Å; I10-F53 HydrophobicContact CG2-CE1 3.04Å; I10-F53 HydrophobicContact CG2-CG 4.46Å; I10-F53 HydrophobicContact CG2-CZ 3.78Å | ||
| 11 | S | 59.8 | Low | 57.7 | Low | 75 Ų | 75 | 94.2 Ų | 94.2 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | trans | -69.7 | 151.1 | 171.4 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | S13 S14 L15 | S11-S13 PolarHBondContact O-N 3.44Å; S11-S13 VanDerWaalsContact O-N 3.09Å; S11-S14 CarbonylContact O-C 3.47Å; S11-S14 WeakPolarHBondContact O-CA 3.49Å; S11-S14 WeakPolarHBondContact O-CB 3.43Å; S11-S14 PolarHBondContact O-N 2.71Å; S11-L15 PolarHBondContact O-N 2.75Å | ||
| 12 | S | 60.1 | Low | 58.5 | Low | 84 Ų | 84 | 87.7 Ų | 87.7 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -53.2 | -34.5 | -179.3 | -26.9 | 0 | 0 | 0 | 0 | 113.6 | L15 S16 | S12-L15 VanDerWaalsContact O-CB 3.31Å; S12-L15 WeakPolarHBondContact O-CB 3.33Å; S12-L15 PolarHBondContact O-N 2.69Å; S12-S16 PolarHBondContact O-N 3.18Å |
| 13 | S | 63.2 | Low | 59.1 | Low | 83 Ų | 83 | 85 Ų | 85 | 58% | 0.58 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.4 | -45.7 | 174.9 | 45.2 | 0 | 0 | 0 | 0 | 112.3 | S11 L15 S16 S17 | S11-S13 PolarHBondContact O-N 3.44Å; S11-S13 VanDerWaalsContact O-N 3.09Å; S13-L15 VanDerWaalsContact C-N 3.28Å; S13-L15 PolarHBondContact O-N 2.78Å; S13-S16 PolarHBondContact O-N 3.06Å; S13-S17 PolarHBondContact O-N 3.48Å; S13-S17 PolarHBondContact O-OG 3.09Å |
| 14 | S | 65.5 | Low | 59.7 | Low | 52 Ų | 52 | 85.9 Ų | 85.9 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.3 | -31.6 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | I10 S11 S17 Y18 | I10-S14 VanDerWaalsContact CG1-CB 3.48Å; S11-S14 CarbonylContact O-C 3.47Å; S11-S14 WeakPolarHBondContact O-CA 3.49Å; S11-S14 WeakPolarHBondContact O-CB 3.43Å; S11-S14 PolarHBondContact O-N 2.71Å; S14-S17 PolarHBondContact O-N 3.34Å; S14-Y18 PolarHBondContact O-N 3.39Å |
| 15 | L | 65.4 | Low | 60.6 | Low | 12 Ų | 12 | 88.7 Ų | 88.7 | 6% | 0.063 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 175.5 | -169 | 72.2 | 0 | 0 | 0 | 111.7 | I10 S11 S12 S13 S17 Y18 L19 I44 F53 | I10-L15 HydrophobicContact CG2-CB 3.72Å; I10-L15 HydrophobicContact CG2-CD1 3.56Å; I10-L15 HydrophobicContact CG2-CG 4.3Å; S11-L15 PolarHBondContact O-N 2.75Å; S12-L15 VanDerWaalsContact O-CB 3.31Å; S12-L15 WeakPolarHBondContact O-CB 3.33Å; S12-L15 PolarHBondContact O-N 2.69Å; S13-L15 VanDerWaalsContact C-N 3.28Å; S13-L15 PolarHBondContact O-N 2.78Å; L15-S17 VanDerWaalsContact C-N 3.29Å; L15-S17 PolarHBondContact O-N 3.29Å; L15-Y18 WeakPolarHBondContact O-CB 3.04Å; L15-Y18 PolarHBondContact O-N 2.91Å; L15-Y18 VanDerWaalsContact O-N 3.15Å; L15-L19 HydrophobicContact CG-CD1 4.29Å; L15-L19 PolarHBondContact O-N 2.83Å; L15-I44 HydrophobicContact CD1-CD1 3.13Å; L15-I44 HydrophobicContact CD1-CG1 3.86Å; L15-I44 HydrophobicContact CD2-CD1 3.79Å; L15-I44 HydrophobicContact CD2-CG1 4.39Å; L15-I44 HydrophobicContact CG-CD1 3.37Å; L15-I44 HydrophobicContact CG-CG1 4.36Å; L15-F53 HydrophobicContact CD1-CD1 3.98Å; L15-F53 HydrophobicContact CD1-CD2 3.54Å; L15-F53 HydrophobicContact CD1-CE1 3.62Å; L15-F53 HydrophobicContact CD1-CE2 3.13Å; L15-F53 HydrophobicContact CD1-CG 3.92Å; L15-F53 HydrophobicContact CD1-CZ 3.09Å; L15-F53 HydrophobicContact CD2-CD2 4.27Å; L15-F53 HydrophobicContact CG-CE2 4.45Å |
| 16 | S | 65.3 | Low | 61.4 | Low | 70 Ų | 70 | 85.5 Ų | 85.5 | 49% | 0.49 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.2 | -165.5 | 0 | 0 | 0 | 0 | 111.3 | S12 S13 S20 | S12-S16 PolarHBondContact O-N 3.18Å; S13-S16 PolarHBondContact O-N 3.06Å; S16-S20 VanDerWaalsContact O-CB 3.28Å; S16-S20 WeakPolarHBondContact O-CB 3.37Å; S16-S20 PolarHBondContact O-N 3.4Å; S16-S20 PolarHBondContact O-OG 2.87Å |
| 17 | S | 66.4 | Low | 62.1 | Low | 79 Ų | 79 | 90.6 Ų | 90.6 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65 | -41.1 | 173.7 | -61 | 0 | 0 | 0 | 0 | 111.7 | S13 S14 L15 S20 N21 | S13-S17 PolarHBondContact O-N 3.48Å; S13-S17 PolarHBondContact O-OG 3.09Å; S14-S17 PolarHBondContact O-N 3.34Å; L15-S17 VanDerWaalsContact C-N 3.29Å; L15-S17 PolarHBondContact O-N 3.29Å; S17-S20 PolarHBondContact O-N 2.86Å; S17-N21 WeakPolarHBondContact O-CB 3.37Å; S17-N21 PolarHBondContact O-N 2.89Å |
| 18 | Y | 65.3 | Low | 62.8 | Low | 126 Ų | 126 | 89 Ų | 89 | 49% | 0.494 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -48 | 177.7 | -129.6 | -89.8 | 0 | 0 | 0 | 111.9 | I10 S14 L15 S20 N21 E22 | I10-Y18 HydrophobicContact CD1-CD2 3.81Å; I10-Y18 HydrophobicContact CD1-CE2 4.44Å; I10-Y18 HydrophobicContact CD1-CG 4.41Å; S14-Y18 PolarHBondContact O-N 3.39Å; L15-Y18 WeakPolarHBondContact O-CB 3.04Å; L15-Y18 PolarHBondContact O-N 2.91Å; L15-Y18 VanDerWaalsContact O-N 3.15Å; Y18-S20 VanDerWaalsContact C-N 3.26Å; Y18-S20 PolarHBondContact O-N 2.99Å; Y18-N21 PolarHBondContact O-N 3.4Å; Y18-E22 HydrophobicContact CD1-CG 3.93Å; Y18-E22 HydrophobicContact CE1-CG 4.13Å; Y18-E22 WeakPolarHBondContact O-CB 3.33Å; Y18-E22 WeakPolarHBondContact O-CG 3.31Å; Y18-E22 PolarHBondContact O-N 2.75Å |
| 19 | L | 65.9 | Low | 63.3 | Low | 42 Ų | 42 | 90.1 Ų | 90.1 | 22% | 0.22 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -57.3 | -39.8 | 173.3 | -82.4 | 160.1 | 0 | 0 | 0 | 112.4 | L15 C26 Q28 I44 | L15-L19 HydrophobicContact CG-CD1 4.29Å; L15-L19 PolarHBondContact O-N 2.83Å; L19-C26 HydrophobicContact CD2-CB 3.73Å; L19-Q28 HydrophobicContact CD1-CB 4.4Å; L19-I44 HydrophobicContact CD1-CD1 3.41Å; L19-I44 VanDerWaalsContact CD1-CD1 3.41Å; L19-I44 HydrophobicContact CD2-CD1 3.81Å; L19-I44 HydrophobicContact CD2-CG2 4.08Å; L19-I44 HydrophobicContact CG-CD1 3.47Å; L19-I44 VanDerWaalsContact CG-CD1 3.47Å |
| 20 | S | 66.1 | Low | 63.5 | Low | 71 Ų | 71 | 88.7 Ų | 88.7 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.2 | -29.6 | -179.9 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | S16 S17 Y18 N23 | S16-S20 VanDerWaalsContact O-CB 3.28Å; S16-S20 WeakPolarHBondContact O-CB 3.37Å; S16-S20 PolarHBondContact O-N 3.4Å; S16-S20 PolarHBondContact O-OG 2.87Å; S17-S20 PolarHBondContact O-N 2.86Å; Y18-S20 VanDerWaalsContact C-N 3.26Å; Y18-S20 PolarHBondContact O-N 2.99Å; S20-N23 PolarHBondContact O-ND2 2.87Å |
| 21 | N | 64.9 | Low | 63.4 | Low | 137 Ų | 137 | 89.8 Ų | 89.8 | 73% | 0.733 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -83.3 | -40.1 | 179.1 | -132 | 31.7 | 0 | 0 | 0 | 111.9 | S17 Y18 N23 | S17-N21 WeakPolarHBondContact O-CB 3.37Å; S17-N21 PolarHBondContact O-N 2.89Å; Y18-N21 PolarHBondContact O-N 3.4Å; N21-N23 PolarHBondContact O-N 3.4Å |
| 22 | E | 61.5 | Low | 63 | Low | 96 Ų | 96 | 92.1 Ų | 92.1 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -86.2 | 40 | -178.8 | -59.9 | -66.7 | 110.7 | 0 | 0 | 112 | Y18 H24 Q25 C26 | Y18-E22 HydrophobicContact CD1-CG 3.93Å; Y18-E22 HydrophobicContact CE1-CG 4.13Å; Y18-E22 WeakPolarHBondContact O-CB 3.33Å; Y18-E22 WeakPolarHBondContact O-CG 3.31Å; Y18-E22 PolarHBondContact O-N 2.75Å; E22-H24 PolarHBondContact O-N 2.75Å; E22-Q25 PolarHBondContact O-N 2.97Å; E22-C26 HydrophobicContact CB-CB 4.41Å; E22-C26 WeakPolarHBondContact CB-SG 3.48Å |
| 23 | N | 55.9 | Low | 62.6 | Low | 104 Ų | 104 | 92.6 Ų | 92.6 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 4.8 | -152 | -149.7 | -97.4 | 0 | 0 | 0 | 118.8 | S20 N21 | S20-N23 PolarHBondContact O-ND2 2.87Å; N21-N23 PolarHBondContact O-N 3.4Å |
| 24 | H | 58.1 | Low | 62 | Low | 177 Ų | 177 | 99.9 Ų | 99.9 | 82% | 0.819 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.3 | -11.8 | 177.7 | -65.2 | 98.3 | 0 | 0 | 0 | 116.2 | E22 | E22-H24 PolarHBondContact O-N 2.75Š|
| 25 | Q | 65.2 | Low | 61.3 | Low | 142 Ų | 142 | 104.6 Ų | 104.6 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -13.1 | -173.7 | -62.7 | -171.6 | -83.7 | 0 | 0 | 114 | E22 H45 C46 G47 | E22-Q25 PolarHBondContact O-N 2.97Å; Q25-H45 VanDerWaalsContact O-O 3.06Å; Q25-C46 WeakPolarHBondContact O-CA 3.04Å; Q25-G47 PolarHBondContact O-N 3.36Å |
| 26 | C | 66.8 | Low | 60.7 | Low | 19 Ų | 19 | 108.2 Ų | 108.2 | 13% | 0.128 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 115 | 178.7 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | L19 E22 I44 H45 C46 | L19-C26 HydrophobicContact CD2-CB 3.73Å; E22-C26 HydrophobicContact CB-CB 4.41Å; E22-C26 WeakPolarHBondContact CB-SG 3.48Å; C26-I44 HydrophobicContact CB-CG2 3.87Å; C26-H45 CarbonylContact C-O 3.55Å; C26-H45 VanDerWaalsContact CA-O 3.23Å; C26-H45 WeakPolarHBondContact CA-O 2.99Å; C26-C46 HydrophobicContact CB-CB 4.14Å; C26-C46 WeakPolarHBondContact CB-SG 3.28Å; C26-C46 WeakPolarHBondContact SG-CB 3.46Å; C26-C46 CovalentContact SG-SG 2.02Å; C26-C46 PolarHBondContact SG-SG 3.28Å |
| 27 | R | 66.2 | Low | 60.2 | Low | 186 Ų | 186 | 112.3 Ų | 112.3 | 70% | 0.702 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109 | 122.7 | 168.8 | -69.4 | -169.9 | 176.8 | -177.8 | -0.1 | 109.5 | H29 H45 | R27-H29 PolarHBondContact O-CD2 2.92Å; R27-H45 PolarHBondContact N-O 2.94Å; R27-H45 PolarHBondContact O-N 2.9Å |
| 28 | Q | 66.8 | Low | 59.7 | Low | 98 Ų | 98 | 115.8 Ų | 115.8 | 46% | 0.458 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.4 | 125.9 | 168.9 | -174.2 | 178.2 | 48.2 | 0 | 0 | 108.7 | L19 T42 I44 | L19-Q28 HydrophobicContact CD1-CB 4.4Å; Q28-T42 HydrophobicContact CG-CG2 3.68Å; Q28-I44 HydrophobicContact CB-CD1 4.39Å; Q28-I44 HydrophobicContact CB-CG1 4.18Å; Q28-I44 HydrophobicContact CG-CG1 4.16Å |
| 29 | H | 64.8 | Low | 59.3 | Low | 76 Ų | 76 | 112.5 Ų | 112.5 | 35% | 0.352 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 109.8 | 172.7 | -75.2 | -96 | 0 | 0 | 0 | 107.8 | R27 D31 Y43 | R27-H29 PolarHBondContact O-CD2 2.92Å; H29-D31 PolarHBondContact O-N 3.43Å; H29-Y43 HydrophobicContact CB-CD2 3.98Å; H29-Y43 HydrophobicContact CB-CE1 4.08Å; H29-Y43 HydrophobicContact CB-CE2 3.39Å; H29-Y43 HydrophobicContact CB-CG 4.5Å; H29-Y43 VanDerWaalsContact CB-CZ 3.42Å; H29-Y43 AromaticContact CG-CE2 3.79Å; H29-Y43 PolarHBondContact N-O 3Å; H29-Y43 PolarHBondContact O-N 3.15Å |
| 30 | P | 59.9 | Low | 59 | Low | 86 Ų | 86 | 115.6 Ų | 115.6 | 56% | 0.558 | 57% | 0.57 | S | S | * | * | trans | -74.6 | 75.9 | 164.7 | 31.8 | -31.4 | 0 | 0 | 0 | 107 | H32 | P30-H32 VanDerWaalsContact C-N 3.3Å; P30-H32 PolarHBondContact O-N 3.35Å | ||
| 31 | D | 57.7 | Low | 58.8 | Low | 70 Ų | 70 | 114.2 Ų | 114.2 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | trans | -76.7 | 97.9 | 165.7 | -159.6 | -95.6 | 0 | 0 | 0 | 106.6 | H29 L33 Y43 | H29-D31 PolarHBondContact O-N 3.43Å; D31-L33 PolarHBondContact O-N 3.28Å; D31-L33 WeakPolarHBondContact OD1-CD2 3.41Å; D31-L33 WeakPolarHBondContact OD1-CG 3.46Å; D31-Y43 HydrophobicContact CB-CD1 4Å; D31-Y43 HydrophobicContact CB-CE1 3.3Å | ||
| 32 | H | 51.6 | Low | 58.8 | Low | 125 Ų | 125 | 108.9 Ų | 108.9 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | trans | -65 | 82.5 | 164.7 | -62.4 | 119.4 | 0 | 0 | 0 | 106.7 | P30 R34 Q40 | P30-H32 VanDerWaalsContact C-N 3.3Å; P30-H32 PolarHBondContact O-N 3.35Å; H32-R34 PolarHBondContact O-N 3.42Å; H32-Q40 PolarHBondContact CD2-OE1 2.85Å | ||
| 33 | L | 51.1 | Low | 59.1 | Low | 93 Ų | 93 | 107.1 Ų | 107.1 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | trans | -58.4 | 92.3 | 161.5 | -75.4 | 172.8 | 0 | 0 | 0 | 105.5 | D31 N35 L36 L41 | D31-L33 PolarHBondContact O-N 3.28Å; D31-L33 WeakPolarHBondContact OD1-CD2 3.41Å; D31-L33 WeakPolarHBondContact OD1-CG 3.46Å; L33-N35 PolarHBondContact O-N 3.47Å; L33-L36 HydrophobicContact CB-CD1 4.04Å; L33-L36 HydrophobicContact CD1-CD1 3.83Å; L33-L36 PolarHBondContact O-N 2.86Å; L33-L41 HydrophobicContact CD1-CB 4.38Å | ||
| 34 | R | 50.9 | Low | 59.7 | Low | 237 Ų | 237 | 102.2 Ų | 102.2 | 89% | 0.894 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 13.6 | -169 | -127.2 | 173.4 | 171.9 | 177.7 | -3.7 | 113.5 | H32 | H32-R34 PolarHBondContact O-N 3.42Š|
| 35 | N | 52.2 | Low | 60.4 | Low | 150 Ų | 150 | 97.5 Ų | 97.5 | 80% | 0.802 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.9 | 16 | -158.9 | -116.6 | 56 | 0 | 0 | 0 | 114 | L33 | L33-N35 PolarHBondContact O-N 3.47Š|
| 36 | L | 52 | Low | 60.6 | Low | 89 Ų | 89 | 91.4 Ų | 91.4 | 47% | 0.466 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -112.4 | 92.1 | 164.3 | -80.5 | 142.1 | 0 | 0 | 0 | 106.9 | L33 D38 N39 L41 | L33-L36 HydrophobicContact CB-CD1 4.04Å; L33-L36 HydrophobicContact CD1-CD1 3.83Å; L33-L36 PolarHBondContact O-N 2.86Å; L36-D38 PolarHBondContact O-N 2.93Å; L36-N39 PolarHBondContact O-N 2.94Å; L36-L41 HydrophobicContact CD1-CD1 3.65Å |
| 37 | D | 54 | Low | 60.9 | Low | 156 Ų | 156 | 91.9 Ų | 91.9 | 83% | 0.834 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.2 | 110.8 | 170.1 | -70 | -102.8 | 0 | 0 | 0 | 110.2 | N39 | D37-N39 PolarHBondContact O-N 3.35Š|
| 38 | D | 56.3 | Low | 61 | Low | 152 Ų | 152 | 89.6 Ų | 89.6 | 81% | 0.813 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | -7.7 | 173.6 | -81.4 | -85.3 | 0 | 0 | 0 | 121 | L36 | L36-D38 PolarHBondContact O-N 2.93Š|
| 39 | N | 57 | Low | 60.8 | Low | 57 Ų | 57 | 90.1 Ų | 90.1 | 31% | 0.305 | 46% | 0.456 | S | S | . | . | trans | -114.4 | 96.7 | -180 | -99.8 | 55.4 | 0 | 0 | 0 | 112.8 | L36 D37 L41 | L36-N39 PolarHBondContact O-N 2.94Å; D37-N39 PolarHBondContact O-N 3.35Å; N39-L41 PolarHBondContact O-N 2.83Å | ||
| 40 | Q | 59.8 | Low | 60.9 | Low | 106 Ų | 106 | 87.9 Ų | 87.9 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | trans | -64 | 94.3 | 171.4 | -63 | -121.2 | 94.7 | 0 | 0 | 109.7 | H32 T42 N55 | H32-Q40 PolarHBondContact CD2-OE1 2.85Å; Q40-T42 PolarHBondContact O-N 3.24Å; Q40-N55 HydrophobicContact CB-CB 4.08Å; Q40-N55 WeakPolarHBondContact O-CB 3.23Å; Q40-N55 PolarHBondContact O-N 2.79Å | ||
| 41 | L | 62.5 | Low | 61.4 | Low | 42 Ų | 42 | 85.1 Ų | 85.1 | 22% | 0.22 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 119.8 | 170.2 | -93.4 | 137.9 | 0 | 0 | 0 | 108.8 | L33 L36 N39 F53 | L33-L41 HydrophobicContact CD1-CB 4.38Å; L36-L41 HydrophobicContact CD1-CD1 3.65Å; N39-L41 PolarHBondContact O-N 2.83Å; L41-F53 CarbonylContact C-O 3.58Å; L41-F53 WeakPolarHBondContact CA-O 3.46Å |
| 42 | T | 65.3 | Low | 61.8 | Low | 25 Ų | 25 | 86.6 Ų | 86.6 | 15% | 0.153 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 137.8 | 169.9 | -52.5 | 0 | 0 | 0 | 0 | 107.3 | Q28 Q40 F53 | Q28-T42 HydrophobicContact CG-CG2 3.68Å; Q40-T42 PolarHBondContact O-N 3.24Å; T42-F53 PolarHBondContact N-O 2.02Å; T42-F53 WeakPolarHBondContact O-CA 3.23Å; T42-F53 WeakPolarHBondContact O-CB 3.1Å; T42-F53 WeakPolarHBondContact O-CD2 3.21Å; T42-F53 PolarHBondContact O-N 3.2Å; T42-F53 VanDerWaalsContact O-O 3.09Å |
| 43 | Y | 67.4 | Low | 62.5 | Low | 59 Ų | 59 | 81.1 Ų | 81.1 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 151.3 | 169 | 70.1 | -97.9 | 0 | 0 | 0 | 111.3 | H29 D31 V50 L51 | H29-Y43 HydrophobicContact CB-CD2 3.98Å; H29-Y43 HydrophobicContact CB-CE1 4.08Å; H29-Y43 HydrophobicContact CB-CE2 3.39Å; H29-Y43 HydrophobicContact CB-CG 4.5Å; H29-Y43 VanDerWaalsContact CB-CZ 3.42Å; H29-Y43 AromaticContact CG-CE2 3.79Å; H29-Y43 PolarHBondContact N-O 3Å; H29-Y43 PolarHBondContact O-N 3.15Å; D31-Y43 HydrophobicContact CB-CD1 4Å; D31-Y43 HydrophobicContact CB-CE1 3.3Å; Y43-V50 HydrophobicContact CD2-CG1 3.94Å; Y43-V50 HydrophobicContact CG-CG1 4.41Å; Y43-L51 CarbonylContact C-O 3.46Å; Y43-L51 WeakPolarHBondContact CA-O 3.42Å; Y43-L51 VanDerWaalsContact CB-O 3.23Å; Y43-L51 WeakPolarHBondContact CB-O 3.4Å |
| 44 | I | 68.6 | Low | 63.1 | Low | 2 Ų | 2 | 79.8 Ų | 79.8 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.1 | 174 | -59.8 | -165.6 | 0 | 0 | 0 | 108.6 | L15 L19 C26 Q28 C46 V50 L51 F53 | L15-I44 HydrophobicContact CD1-CD1 3.13Å; L15-I44 HydrophobicContact CD1-CG1 3.86Å; L15-I44 HydrophobicContact CD2-CD1 3.79Å; L15-I44 HydrophobicContact CD2-CG1 4.39Å; L15-I44 HydrophobicContact CG-CD1 3.37Å; L15-I44 HydrophobicContact CG-CG1 4.36Å; L19-I44 HydrophobicContact CD1-CD1 3.41Å; L19-I44 VanDerWaalsContact CD1-CD1 3.41Å; L19-I44 HydrophobicContact CD2-CD1 3.81Å; L19-I44 HydrophobicContact CD2-CG2 4.08Å; L19-I44 HydrophobicContact CG-CD1 3.47Å; L19-I44 VanDerWaalsContact CG-CD1 3.47Å; C26-I44 HydrophobicContact CB-CG2 3.87Å; Q28-I44 HydrophobicContact CB-CD1 4.39Å; Q28-I44 HydrophobicContact CB-CG1 4.18Å; Q28-I44 HydrophobicContact CG-CG1 4.16Å; I44-C46 WeakPolarHBondContact CG2-SG 3.45Å; I44-V50 WeakPolarHBondContact O-CA 3.44Å; I44-L51 PolarHBondContact N-O 2.72Å; I44-L51 PolarHBondContact O-N 3.03Å; I44-F53 HydrophobicContact CB-CE2 3.93Å; I44-F53 HydrophobicContact CD1-CE2 4.14Å; I44-F53 HydrophobicContact CG1-CD2 4.21Å; I44-F53 HydrophobicContact CG1-CE2 3.68Å |
| 45 | H | 71.7 | Confident | 63.4 | Low | 77 Ų | 77 | 71.2 Ų | 71.2 | 36% | 0.356 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 107.1 | 174.5 | -156.7 | -91.4 | 0 | 0 | 0 | 109.1 | Q25 C26 R27 G47 H49 V50 | Q25-H45 VanDerWaalsContact O-O 3.06Å; C26-H45 CarbonylContact C-O 3.55Å; C26-H45 VanDerWaalsContact CA-O 3.23Å; C26-H45 WeakPolarHBondContact CA-O 2.99Å; R27-H45 PolarHBondContact N-O 2.94Å; R27-H45 PolarHBondContact O-N 2.9Å; H45-G47 PolarHBondContact CE1-O 2.92Å; H45-G47 PolarHBondContact ND1-O 3.2Å; H45-H49 CarbonylContact C-O 3.57Å; H45-V50 VanDerWaalsContact CD2-CG2 3.44Å; H45-V50 WeakPolarHBondContact CD2-CG2 3.33Å |
| 46 | C | 70.9 | Confident | 63.6 | Low | 14 Ų | 14 | 69.9 Ų | 69.9 | 10% | 0.095 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 89 | -179.7 | -69.2 | 0 | 0 | 0 | 0 | 110.1 | Q25 C26 I44 D48 H49 | Q25-C46 WeakPolarHBondContact O-CA 3.04Å; C26-C46 HydrophobicContact CB-CB 4.14Å; C26-C46 WeakPolarHBondContact CB-SG 3.28Å; C26-C46 WeakPolarHBondContact SG-CB 3.46Å; C26-C46 CovalentContact SG-SG 2.02Å; C26-C46 PolarHBondContact SG-SG 3.28Å; I44-C46 WeakPolarHBondContact CG2-SG 3.45Å; C46-D48 PolarHBondContact O-N 3.1Å; C46-D48 VanDerWaalsContact O-N 3.1Å; C46-H49 HydrophobicContact CB-CB 4.32Å; C46-H49 PolarHBondContact N-O 3.33Å; C46-H49 WeakPolarHBondContact O-CB 3.47Å; C46-H49 PolarHBondContact O-N 3Å |
| 47 | G | 71.7 | Confident | 63.5 | Low | 30 Ų | 30 | 69.3 Ų | 69.3 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | -113.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q25 H45 | Q25-G47 PolarHBondContact O-N 3.36Å; H45-G47 PolarHBondContact CE1-O 2.92Å; H45-G47 PolarHBondContact ND1-O 3.2Å |
| 48 | D | 68 | Low | 62.9 | Low | 137 Ų | 137 | 68.7 Ų | 68.7 | 73% | 0.733 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -2.9 | 175.4 | -71.7 | -87.5 | 0 | 0 | 0 | 113.9 | C46 | C46-D48 PolarHBondContact O-N 3.1Å; C46-D48 VanDerWaalsContact O-N 3.1Å |
| 49 | H | 64.5 | Low | 62.1 | Low | 109 Ų | 109 | 73.3 Ų | 73.3 | 51% | 0.505 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.1 | -178.3 | -64.3 | -83 | 0 | 0 | 0 | 111.5 | H45 C46 | H45-H49 CarbonylContact C-O 3.57Å; C46-H49 HydrophobicContact CB-CB 4.32Å; C46-H49 PolarHBondContact N-O 3.33Å; C46-H49 WeakPolarHBondContact O-CB 3.47Å; C46-H49 PolarHBondContact O-N 3Å |
| 50 | V | 67 | Low | 62.3 | Low | 29 Ų | 29 | 74.2 Ų | 74.2 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.8 | 169.9 | -166.5 | 0 | 0 | 0 | 0 | 108.5 | Y43 I44 H45 Y52 | Y43-V50 HydrophobicContact CD2-CG1 3.94Å; Y43-V50 HydrophobicContact CG-CG1 4.41Å; I44-V50 WeakPolarHBondContact O-CA 3.44Å; H45-V50 VanDerWaalsContact CD2-CG2 3.44Å; H45-V50 WeakPolarHBondContact CD2-CG2 3.33Å; V50-Y52 HydrophobicContact CB-CE2 4.1Å; V50-Y52 HydrophobicContact CG1-CD2 4.34Å; V50-Y52 HydrophobicContact CG1-CE1 4.29Å; V50-Y52 HydrophobicContact CG1-CE2 3.7Å |
| 51 | L | 69 | Low | 62.5 | Low | 29 Ų | 29 | 72.5 Ų | 72.5 | 15% | 0.152 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 124.2 | 177.4 | -62.2 | 160.4 | 0 | 0 | 0 | 108.7 | Y43 I44 F53 | Y43-L51 CarbonylContact C-O 3.46Å; Y43-L51 WeakPolarHBondContact CA-O 3.42Å; Y43-L51 VanDerWaalsContact CB-O 3.23Å; Y43-L51 WeakPolarHBondContact CB-O 3.4Å; I44-L51 PolarHBondContact N-O 2.72Å; I44-L51 PolarHBondContact O-N 3.03Å; L51-F53 HydrophobicContact CB-CE1 4.16Å; L51-F53 HydrophobicContact CB-CE2 3.4Å; L51-F53 HydrophobicContact CB-CZ 3.21Å; L51-F53 HydrophobicContact CD1-CZ 4.03Å; L51-F53 HydrophobicContact CG-CZ 4.14Å; L51-F53 WeakPolarHBondContact O-CE2 3.44Å |
| 52 | Y | 67.5 | Low | 62.5 | Low | 101 Ų | 101 | 74.2 Ų | 74.2 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.8 | 177.9 | -62.7 | -92 | 0 | 0 | 0 | 110 | V50 | V50-Y52 HydrophobicContact CB-CE2 4.1Å; V50-Y52 HydrophobicContact CG1-CD2 4.34Å; V50-Y52 HydrophobicContact CG1-CE1 4.29Å; V50-Y52 HydrophobicContact CG1-CE2 3.7Å |
| 53 | F | 66 | Low | 62.3 | Low | 10 Ų | 10 | 77.1 Ų | 77.1 | 4% | 0.044 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.2 | -179 | -52.1 | -73.3 | 0 | 0 | 0 | 109.5 | S8 I10 L15 L41 T42 I44 L51 N55 | S8-F53 WeakPolarHBondContact O-CE1 3.45Å; I10-F53 HydrophobicContact CB-CD1 3.98Å; I10-F53 HydrophobicContact CB-CE1 3.49Å; I10-F53 VanDerWaalsContact CB-CE1 3.49Å; I10-F53 HydrophobicContact CB-CZ 4.46Å; I10-F53 HydrophobicContact CG2-CD1 3.44Å; I10-F53 VanDerWaalsContact CG2-CD1 3.44Å; I10-F53 HydrophobicContact CG2-CE1 3.04Å; I10-F53 HydrophobicContact CG2-CG 4.46Å; I10-F53 HydrophobicContact CG2-CZ 3.78Å; L15-F53 HydrophobicContact CD1-CD1 3.98Å; L15-F53 HydrophobicContact CD1-CD2 3.54Å; L15-F53 HydrophobicContact CD1-CE1 3.62Å; L15-F53 HydrophobicContact CD1-CE2 3.13Å; L15-F53 HydrophobicContact CD1-CG 3.92Å; L15-F53 HydrophobicContact CD1-CZ 3.09Å; L15-F53 HydrophobicContact CD2-CD2 4.27Å; L15-F53 HydrophobicContact CG-CE2 4.45Å; L41-F53 CarbonylContact C-O 3.58Å; L41-F53 WeakPolarHBondContact CA-O 3.46Å; T42-F53 PolarHBondContact N-O 2.02Å; T42-F53 WeakPolarHBondContact O-CA 3.23Å; T42-F53 WeakPolarHBondContact O-CB 3.1Å; T42-F53 WeakPolarHBondContact O-CD2 3.21Å; T42-F53 PolarHBondContact O-N 3.2Å; T42-F53 VanDerWaalsContact O-O 3.09Å; I44-F53 HydrophobicContact CB-CE2 3.93Å; I44-F53 HydrophobicContact CD1-CE2 4.14Å; I44-F53 HydrophobicContact CG1-CD2 4.21Å; I44-F53 HydrophobicContact CG1-CE2 3.68Å; L51-F53 HydrophobicContact CB-CE1 4.16Å; L51-F53 HydrophobicContact CB-CE2 3.4Å; L51-F53 HydrophobicContact CB-CZ 3.21Å; L51-F53 HydrophobicContact CD1-CZ 4.03Å; L51-F53 HydrophobicContact CG-CZ 4.14Å; L51-F53 WeakPolarHBondContact O-CE2 3.44Å; F53-N55 PolarHBondContact O-N 3.42Å |
| 54 | S | 63.3 | Low | 62 | Low | 65 Ų | 65 | 78.2 Ų | 78.2 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 113.9 | 165.2 | -57.2 | 0 | 0 | 0 | 0 | 107.5 | L56 | S54-L56 PolarHBondContact O-N 2.77Å |
| 55 | N | 57.1 | Low | 61.6 | Low | 57 Ų | 57 | 83.3 Ų | 83.3 | 31% | 0.305 | 44% | 0.442 | S | S | . | . | trans | -71.1 | 88.1 | 164.7 | -169.2 | -17.1 | 0 | 0 | 0 | 106.8 | Q40 F53 S57 | Q40-N55 HydrophobicContact CB-CB 4.08Å; Q40-N55 WeakPolarHBondContact O-CB 3.23Å; Q40-N55 PolarHBondContact O-N 2.79Å; F53-N55 PolarHBondContact O-N 3.42Å; N55-S57 PolarHBondContact O-N 3.39Å; N55-S57 PolarHBondContact OD1-OG 3.39Å | ||
| 56 | L | 55.6 | Low | 60.8 | Low | 122 Ų | 122 | 83.7 Ų | 83.7 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | trans | -69.8 | 82.7 | 168.8 | -156.7 | 80.5 | 0 | 0 | 0 | 106.2 | S54 N58 | S54-L56 PolarHBondContact O-N 2.77Å; L56-N58 PolarHBondContact O-N 3.41Å | ||
| 57 | S | 50.5 | Low | 60.1 | Low | 77 Ų | 77 | 89.1 Ų | 89.1 | 54% | 0.538 | 48% | 0.475 | S | S | . | . | trans | -66.1 | 92 | 164.7 | -67.1 | 0 | 0 | 0 | 0 | 105.3 | N55 Q59 | N55-S57 PolarHBondContact O-N 3.39Å; N55-S57 PolarHBondContact OD1-OG 3.39Å; S57-Q59 PolarHBondContact O-N 3.13Å | ||
| 58 | N | 41.3 | Very low | 59.1 | Low | 143 Ų | 143 | 94 Ų | 94 | 77% | 0.765 | 49% | 0.489 | S | S | * | . | trans | -66.5 | 83.1 | -179.9 | -162.1 | 87.1 | 0 | 0 | 0 | 108.3 | L56 | L56-N58 PolarHBondContact O-N 3.41Š| ||
| 59 | Q | 39.3 | Very low | 58.3 | Low | 249 Ų | 249 | 90.1 Ų | 90.1 | 100% | 1.164 | 47% | 0.467 | S | S | * | . | trans | -87.8 | 0 | 154.7 | -78.4 | -116 | 25 | 0 | 0 | 108.5 | S57 | S57-Q59 PolarHBondContact O-N 3.13Š|
Retrieved 59 of 59 residues in 58.2 ms
(Link to these results)