| 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 | 51.4 | Low | 83.2 | Confident | 222 Ų | 222 | 86 Ų | 86 | 100% | 1.094 | 42% | 0.415 | S | S | * | . | 0 | 119.4 | 0 | -78 | 175.9 | -162.7 | 0 | 0 | 104.5 | E3 | M1-E3 PolarHBondContact O-N 3.13Å; M1-E3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | S | 54.8 | Low | 82.9 | Confident | 85 Ų | 85 | 90.9 Ų | 90.9 | 59% | 0.594 | 45% | 0.445 | S | S | * | . | trans | -64.5 | 113.6 | 177.6 | -42.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | E | 85.8 | Confident | 83.2 | Confident | 133 Ų | 133 | 89.9 Ų | 89.9 | 62% | 0.621 | 44% | 0.443 | S | S | * | . | trans | -84.6 | 173.8 | 172.5 | -72.8 | -172.2 | 122.1 | 0 | 0 | 108.9 | M1 S20 | M1-E3 PolarHBondContact O-N 3.13Å; M1-E3 VanDerWaalsContact O-N 3.13Å; E3-S20 PolarHBondContact N-OG 2.97Å; E3-S20 WeakPolarHBondContact O-CB 3.38Å; E3-S20 PolarHBondContact O-N 3.32Å; E3-S20 PolarHBondContact O-OG 2.68Å | ||
| 4 | Y | 92.1 | Very high | 83.7 | Confident | 120 Ų | 120 | 96.4 Ų | 96.4 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 158.5 | 177.1 | 62.6 | -93.8 | 0 | 0 | 0 | 109.7 | R6 E17 I18 | Y4-R6 HydrophobicContact CE2-CG 4.4Å; Y4-E17 HydrophobicContact CD2-CB 3.82Å; Y4-E17 HydrophobicContact CD2-CG 3.58Å; Y4-E17 HydrophobicContact CE2-CB 4.38Å; Y4-E17 HydrophobicContact CE2-CG 3.66Å; Y4-E17 WeakPolarHBondContact CE2-OE1 3.2Å; Y4-E17 HydrophobicContact CG-CB 4.34Å; Y4-E17 HydrophobicContact CG-CG 4.48Å; Y4-E17 PolarHBondContact OH-OE1 3.28Å; Y4-I18 CarbonylContact C-O 3.52Å; Y4-I18 VanDerWaalsContact CA-O 3.31Å; Y4-I18 WeakPolarHBondContact CA-O 3.35Å |
| 5 | I | 94.7 | Very high | 84.3 | Confident | 1 Ų | 1 | 93.5 Ų | 93.5 | 1% | 0.005 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.4 | 176.9 | 67.9 | 157.7 | 0 | 0 | 0 | 110 | V7 E17 I18 V26 L41 W68 | I5-V7 HydrophobicContact CD1-CG2 3.52Å; I5-V7 HydrophobicContact CG1-CG2 3.74Å; I5-E17 CarbonylContact O-C 3.56Å; I5-E17 WeakPolarHBondContact O-CA 3.27Å; I5-I18 HydrophobicContact CG1-CB 3.97Å; I5-I18 PolarHBondContact N-O 3.15Å; I5-I18 PolarHBondContact O-N 3.48Å; I5-V26 HydrophobicContact CD1-CB 4.31Å; I5-V26 HydrophobicContact CD1-CG1 4.06Å; I5-V26 HydrophobicContact CD1-CG2 3.89Å; I5-V26 HydrophobicContact CG1-CG2 4.06Å; I5-V26 HydrophobicContact CG2-CG2 3.98Å; I5-L41 HydrophobicContact CD1-CD1 3.78Å; I5-W68 HydrophobicContact CB-CE3 4.49Å; I5-W68 HydrophobicContact CD1-CE3 4.4Å; I5-W68 HydrophobicContact CD1-CZ3 4.22Å; I5-W68 HydrophobicContact CG2-CB 3.68Å; I5-W68 HydrophobicContact CG2-CD2 3.44Å; I5-W68 VanDerWaalsContact CG2-CD2 3.44Å; I5-W68 HydrophobicContact CG2-CE3 3.81Å; I5-W68 HydrophobicContact CG2-CG 3.36Å |
| 6 | R | 95.2 | Very high | 84.9 | Confident | 79 Ų | 79 | 92.2 Ų | 92.2 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.8 | 179.6 | -67.5 | -171.3 | -62.7 | 176.3 | 1 | 110 | Y4 P15 E17 N70 Y73 | Y4-R6 HydrophobicContact CE2-CG 4.4Å; R6-P15 HydrophobicContact CB-CB 4.02Å; R6-P15 HydrophobicContact CB-CG 4.42Å; R6-E17 HydrophobicContact CG-CG 4.19Å; R6-N70 VanDerWaalsContact NH2-C 3.32Å; R6-N70 PolarHBondContact NH2-O 3.01Å; R6-Y73 PolarHBondContact O-N 2.74Å |
| 7 | V | 96.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 93 Ų | 93 | 0% | 0 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.2 | -173.4 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | I5 P15 I16 I18 F35 L41 Y73 V75 | I5-V7 HydrophobicContact CD1-CG2 3.52Å; I5-V7 HydrophobicContact CG1-CG2 3.74Å; V7-P15 CarbonylContact O-C 3.57Å; V7-P15 WeakPolarHBondContact O-CA 3.37Å; V7-I16 PolarHBondContact N-O 2.86Å; V7-I16 PolarHBondContact O-N 2.86Å; V7-I18 HydrophobicContact CB-CG1 3.91Å; V7-I18 HydrophobicContact CG2-CB 4.22Å; V7-I18 HydrophobicContact CG2-CG1 3.64Å; V7-F35 HydrophobicContact CB-CE2 3.91Å; V7-F35 HydrophobicContact CB-CZ 4.43Å; V7-F35 HydrophobicContact CG1-CD2 4.04Å; V7-F35 HydrophobicContact CG1-CE2 3.57Å; V7-F35 HydrophobicContact CG1-CZ 4.13Å; V7-L41 HydrophobicContact CG1-CD2 3.8Å; V7-L41 HydrophobicContact CG2-CD1 4.34Å; V7-Y73 CarbonylContact C-O 3.59Å; V7-Y73 VanDerWaalsContact CA-O 3.25Å; V7-Y73 WeakPolarHBondContact CA-O 3.3Å; V7-V75 HydrophobicContact CG1-CG1 3.57Å |
| 8 | T | 95.4 | Very high | 86 | Confident | 4 Ų | 4 | 88 Ų | 88 | 3% | 0.025 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 161.6 | 177.4 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | D10 D13 V72 Y73 V74 V75 | T8-D10 WeakPolarHBondContact CG2-O 3.46Å; T8-D10 PolarHBondContact OG1-N 2.9Å; T8-D10 PolarHBondContact OG1-O 2.61Å; T8-D13 WeakPolarHBondContact OG1-CB 3.35Å; T8-V72 HydrophobicContact CG2-CG1 3.59Å; T8-Y73 PolarHBondContact N-O 3.29Å; T8-V74 HydrophobicContact CG2-CG2 4.11Å; T8-V74 CarbonylContact O-C 3.48Å; T8-V74 VanDerWaalsContact O-CA 3.29Å; T8-V74 WeakPolarHBondContact O-CA 3.12Å; T8-V75 PolarHBondContact O-N 2.84Å |
| 9 | E | 90.6 | Very high | 86.5 | Confident | 110 Ų | 110 | 87.3 Ų | 87.3 | 51% | 0.514 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -85.4 | -36.7 | 170.5 | 63.9 | 178.9 | -135.2 | 0 | 0 | 113.3 | D13 F35 V74 V75 | E9-D13 WeakPolarHBondContact CG-OD2 3.27Å; E9-F35 HydrophobicContact CB-CD1 4.49Å; E9-F35 HydrophobicContact CB-CE1 4.37Å; E9-V74 WeakPolarHBondContact O-CG1 3.4Å; E9-V75 HydrophobicContact CB-CG2 3.98Å |
| 10 | D | 84.8 | Confident | 86.8 | Confident | 73 Ų | 73 | 83.4 Ų | 83.4 | 39% | 0.39 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -129.6 | 151.9 | 179.1 | -163.9 | -82.7 | 0 | 0 | 0 | 110.7 | T8 N12 D13 | T8-D10 WeakPolarHBondContact CG2-O 3.46Å; T8-D10 PolarHBondContact OG1-N 2.9Å; T8-D10 PolarHBondContact OG1-O 2.61Å; D10-N12 PolarHBondContact O-N 3.41Å; D10-N12 WeakPolarHBondContact OD1-CB 3.48Å; D10-N12 PolarHBondContact OD1-N 3.48Å; D10-N12 PolarHBondContact OD1-ND2 3.09Å; D10-D13 PolarHBondContact O-N 3.49Å |
| 11 | E | 74.4 | Confident | 87.2 | Confident | 119 Ų | 119 | 83.1 Ų | 83.1 | 56% | 0.556 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.9 | 177.5 | -67.5 | -173 | 140.4 | 0 | 0 | 112.5 | R44 V74 | E11-R44 IonicContact OE1-NH1 3.97Å; E11-V74 HydrophobicContact CG-CG2 4.26Å |
| 12 | N | 79.7 | Confident | 88.9 | Confident | 145 Ų | 145 | 79.4 Ų | 79.4 | 78% | 0.775 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -11.7 | 179.3 | -60.4 | -77 | 0 | 0 | 0 | 114.2 | D10 | D10-N12 PolarHBondContact O-N 3.41Å; D10-N12 WeakPolarHBondContact OD1-CB 3.48Å; D10-N12 PolarHBondContact OD1-N 3.48Å; D10-N12 PolarHBondContact OD1-ND2 3.09Å |
| 13 | D | 86.6 | Confident | 90.5 | Very high | 78 Ų | 78 | 80.9 Ų | 80.9 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -90.6 | 154.9 | -177.5 | -73 | -27.2 | 0 | 0 | 0 | 112.7 | T8 E9 D10 | T8-D13 WeakPolarHBondContact OG1-CB 3.35Å; E9-D13 WeakPolarHBondContact CG-OD2 3.27Å; D10-D13 PolarHBondContact O-N 3.49Å |
| 14 | E | 89.7 | Confident | 90.7 | Very high | 181 Ų | 181 | 75.7 Ų | 75.7 | 85% | 0.846 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 124.6 | 174.5 | -70.5 | -170.8 | 159.6 | 0 | 0 | 110.2 | ||
| 15 | P | 93.6 | Very high | 90.8 | Very high | 52 Ų | 52 | 70.5 Ų | 70.5 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 142.9 | -177.5 | 29.7 | -34.6 | 0 | 0 | 0 | 111.6 | R6 V7 V72 | R6-P15 HydrophobicContact CB-CB 4.02Å; R6-P15 HydrophobicContact CB-CG 4.42Å; V7-P15 CarbonylContact O-C 3.57Å; V7-P15 WeakPolarHBondContact O-CA 3.37Å; P15-V72 HydrophobicContact CB-CG1 4.23Å |
| 16 | I | 94.1 | Very high | 90.8 | Very high | 73 Ų | 73 | 70.4 Ų | 70.4 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 137.6 | 173.5 | -61 | 178 | 0 | 0 | 0 | 109.4 | V7 I18 F35 | V7-I16 PolarHBondContact N-O 2.86Å; V7-I16 PolarHBondContact O-N 2.86Å; I16-I18 HydrophobicContact CG2-CD1 3.93Å; I16-F35 HydrophobicContact CB-CZ 4.29Å; I16-F35 HydrophobicContact CD1-CE1 4.5Å; I16-F35 HydrophobicContact CD1-CZ 3.96Å; I16-F35 HydrophobicContact CG1-CZ 4.35Å |
| 17 | E | 95.4 | Very high | 90.9 | Very high | 106 Ų | 106 | 69 Ų | 69 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119 | 173.7 | -66.1 | -176.9 | 167.5 | 0 | 0 | 110.5 | Y4 I5 R6 | Y4-E17 HydrophobicContact CD2-CB 3.82Å; Y4-E17 HydrophobicContact CD2-CG 3.58Å; Y4-E17 HydrophobicContact CE2-CB 4.38Å; Y4-E17 HydrophobicContact CE2-CG 3.66Å; Y4-E17 WeakPolarHBondContact CE2-OE1 3.2Å; Y4-E17 HydrophobicContact CG-CB 4.34Å; Y4-E17 HydrophobicContact CG-CG 4.48Å; Y4-E17 PolarHBondContact OH-OE1 3.28Å; I5-E17 CarbonylContact O-C 3.56Å; I5-E17 WeakPolarHBondContact O-CA 3.27Å; R6-E17 HydrophobicContact CG-CG 4.19Å |
| 18 | I | 94.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.015 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.7 | 178.3 | -54.4 | -61.1 | 0 | 0 | 0 | 108.5 | Y4 I5 V7 I16 V26 T30 V31 Q34 F35 | Y4-I18 CarbonylContact C-O 3.52Å; Y4-I18 VanDerWaalsContact CA-O 3.31Å; Y4-I18 WeakPolarHBondContact CA-O 3.35Å; I5-I18 HydrophobicContact CG1-CB 3.97Å; I5-I18 PolarHBondContact N-O 3.15Å; I5-I18 PolarHBondContact O-N 3.48Å; V7-I18 HydrophobicContact CB-CG1 3.91Å; V7-I18 HydrophobicContact CG2-CB 4.22Å; V7-I18 HydrophobicContact CG2-CG1 3.64Å; I16-I18 HydrophobicContact CG2-CD1 3.93Å; I18-V26 HydrophobicContact CG2-CG1 4.12Å; I18-T30 HydrophobicContact CG2-CG2 3.63Å; I18-V31 HydrophobicContact CG2-CG2 4.36Å; I18-Q34 HydrophobicContact CD1-CB 4.02Å; I18-Q34 HydrophobicContact CD1-CG 3.53Å; I18-F35 HydrophobicContact CD1-CE2 4.36Å |
| 19 | P | 94.6 | Very high | 90.6 | Very high | 75 Ų | 75 | 73.7 Ų | 73.7 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 144.8 | -179 | 28.1 | -34.3 | 0 | 0 | 0 | 111.8 | T30 | P19-T30 HydrophobicContact CG-CG2 4.02Å |
| 20 | S | 93.7 | Very high | 90.8 | Very high | 9 Ų | 9 | 70.1 Ų | 70.1 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 159.1 | 170.2 | 81 | 0 | 0 | 0 | 0 | 111.7 | E3 T25 | E3-S20 PolarHBondContact N-OG 2.97Å; E3-S20 WeakPolarHBondContact O-CB 3.38Å; E3-S20 PolarHBondContact O-N 3.32Å; E3-S20 PolarHBondContact O-OG 2.68Å; S20-T25 WeakPolarHBondContact CA-O 3.28Å; S20-T25 WeakPolarHBondContact CB-O 3.41Å |
| 21 | E | 93.2 | Very high | 91.3 | Very high | 77 Ų | 77 | 66.6 Ų | 66.6 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 169.7 | 170.9 | -57.9 | -60.5 | 121 | 0 | 0 | 111 | D23 G24 T25 L27 | E21-D23 WeakPolarHBondContact CB-OD1 3.35Å; E21-D23 PolarHBondContact O-N 2.93Å; E21-G24 PolarHBondContact O-N 2.93Å; E21-T25 PolarHBondContact N-O 2.74Å; E21-L27 HydrophobicContact CG-CD1 4.35Å; E21-L27 HydrophobicContact CG-CD2 4.48Å; E21-L27 HydrophobicContact CG-CG 3.93Å |
| 22 | D | 88.8 | Confident | 92.2 | Very high | 145 Ų | 145 | 63.2 Ų | 63.2 | 78% | 0.775 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.7 | -179.2 | -68.7 | -43.5 | 0 | 0 | 0 | 113.7 | G24 | D22-G24 VanDerWaalsContact C-N 3.26Š|
| 23 | D | 88.7 | Confident | 92.8 | Very high | 116 Ų | 116 | 59.7 Ų | 59.7 | 62% | 0.62 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2.5 | 175.1 | 71.2 | -8.2 | 0 | 0 | 0 | 113.2 | E21 T25 | E21-D23 WeakPolarHBondContact CB-OD1 3.35Å; E21-D23 PolarHBondContact O-N 2.93Å; D23-T25 VanDerWaalsContact C-N 3.27Å; D23-T25 PolarHBondContact O-N 3.38Å; D23-T25 VanDerWaalsContact OD1-CB 3.31Å; D23-T25 WeakPolarHBondContact OD1-CB 3.34Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.08Å; D23-T25 PolarHBondContact OD1-N 3.3Å; D23-T25 PolarHBondContact OD1-OG1 2.83Å; D23-T25 PolarHBondContact OD2-OG1 3.09Å |
| 24 | G | 88.9 | Confident | 93 | Very high | 24 Ų | 24 | 61.3 Ų | 61.3 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 78 | 6.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | E21 D22 W68 | E21-G24 PolarHBondContact O-N 2.93Å; D22-G24 VanDerWaalsContact C-N 3.26Å; G24-W68 PolarHBondContact O-NE1 3.5Å |
| 25 | T | 94.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | trans | -84.3 | 167.1 | 170.7 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | S20 E21 D23 I60 L61 | S20-T25 WeakPolarHBondContact CA-O 3.28Å; S20-T25 WeakPolarHBondContact CB-O 3.41Å; E21-T25 PolarHBondContact N-O 2.74Å; D23-T25 VanDerWaalsContact C-N 3.27Å; D23-T25 PolarHBondContact O-N 3.38Å; D23-T25 VanDerWaalsContact OD1-CB 3.31Å; D23-T25 WeakPolarHBondContact OD1-CB 3.34Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.08Å; D23-T25 PolarHBondContact OD1-N 3.3Å; D23-T25 PolarHBondContact OD1-OG1 2.83Å; D23-T25 PolarHBondContact OD2-OG1 3.09Å; T25-I60 VanDerWaalsContact CB-CG2 3.46Å; T25-I60 HydrophobicContact CG2-CG2 3.78Å; T25-I60 WeakPolarHBondContact OG1-CG2 3.19Å; T25-L61 WeakPolarHBondContact CA-O 3.48Å; T25-L61 WeakPolarHBondContact CB-O 3.17Å | ||
| 26 | V | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 108.6 | I5 I18 V31 L61 W68 | I5-V26 HydrophobicContact CD1-CB 4.31Å; I5-V26 HydrophobicContact CD1-CG1 4.06Å; I5-V26 HydrophobicContact CD1-CG2 3.89Å; I5-V26 HydrophobicContact CG1-CG2 4.06Å; I5-V26 HydrophobicContact CG2-CG2 3.98Å; I18-V26 HydrophobicContact CG2-CG1 4.12Å; V26-V31 HydrophobicContact CG1-CG2 3.97Å; V26-L61 HydrophobicContact CB-CB 4.26Å; V26-L61 HydrophobicContact CG1-CD1 4.35Å; V26-L61 PolarHBondContact N-O 3.1Å; V26-L61 WeakPolarHBondContact O-CA 3.5Å; V26-L61 WeakPolarHBondContact O-CB 3.17Å; V26-L61 PolarHBondContact O-N 3.31Å; V26-W68 HydrophobicContact CB-CZ2 4.11Å; V26-W68 HydrophobicContact CG2-CH2 4.34Å; V26-W68 HydrophobicContact CG2-CZ2 3.7Å |
| 27 | L | 95.3 | Very high | 92.8 | Very high | 50 Ų | 50 | 54.4 Ų | 54.4 | 26% | 0.262 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 133.6 | 176.7 | -60.6 | 175.7 | 0 | 0 | 0 | 110.6 | E21 S29 T30 V31 I60 | E21-L27 HydrophobicContact CG-CD1 4.35Å; E21-L27 HydrophobicContact CG-CD2 4.48Å; E21-L27 HydrophobicContact CG-CG 3.93Å; L27-S29 WeakPolarHBondContact CB-OG 3.25Å; L27-S29 PolarHBondContact O-N 3.29Å; L27-T30 WeakPolarHBondContact O-CB 3.49Å; L27-T30 PolarHBondContact O-N 3.34Å; L27-V31 PolarHBondContact O-N 3.39Å; L27-I60 HydrophobicContact CD2-CG1 4.03Å |
| 28 | L | 93.6 | Very high | 92.6 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -32.9 | 173.4 | -177.4 | 64.9 | 0 | 0 | 0 | 110.8 | T30 V31 T32 L56 G59 L61 | L28-T30 VanDerWaalsContact C-N 3.28Å; L28-T30 PolarHBondContact O-N 3.35Å; L28-V31 PolarHBondContact O-N 3.42Å; L28-T32 HydrophobicContact CD1-CG2 4.38Å; L28-T32 HydrophobicContact CG-CG2 4.19Å; L28-T32 WeakPolarHBondContact O-CG2 3.47Å; L28-T32 PolarHBondContact O-N 3.25Å; L28-T32 PolarHBondContact O-OG1 2.94Å; L28-L56 HydrophobicContact CB-CD1 4.23Å; L28-L56 HydrophobicContact CD2-CD1 4.26Å; L28-L56 HydrophobicContact CD2-CD2 4.11Å; L28-G59 WeakPolarHBondContact CB-O 3.44Å; L28-G59 PolarHBondContact N-O 3.47Å; L28-L61 HydrophobicContact CD1-CD1 4.41Å |
| 29 | S | 92.2 | Very high | 92.5 | Very high | 73 Ų | 73 | 52.3 Ų | 52.3 | 51% | 0.51 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57 | -41.4 | 174.1 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | L27 T32 A33 | L27-S29 WeakPolarHBondContact CB-OG 3.25Å; L27-S29 PolarHBondContact O-N 3.29Å; S29-T32 VanDerWaalsContact CA-OG1 3.28Å; S29-T32 WeakPolarHBondContact CA-OG1 3.47Å; S29-T32 PolarHBondContact O-N 2.87Å; S29-T32 PolarHBondContact O-OG1 3.09Å; S29-A33 PolarHBondContact O-N 3.36Å |
| 30 | T | 95 | Very high | 92.5 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.7 | -40 | 178.4 | -46.5 | 0 | 0 | 0 | 0 | 111 | I18 P19 L27 L28 A33 | I18-T30 HydrophobicContact CG2-CG2 3.63Å; P19-T30 HydrophobicContact CG-CG2 4.02Å; L27-T30 WeakPolarHBondContact O-CB 3.49Å; L27-T30 PolarHBondContact O-N 3.34Å; L28-T30 VanDerWaalsContact C-N 3.28Å; L28-T30 PolarHBondContact O-N 3.35Å; T30-A33 WeakPolarHBondContact O-CB 3.22Å; T30-A33 PolarHBondContact O-N 2.81Å |
| 31 | V | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 172.5 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | I18 V26 L27 L28 A33 Q34 F35 A38 L41 L61 V75 | I18-V31 HydrophobicContact CG2-CG2 4.36Å; V26-V31 HydrophobicContact CG1-CG2 3.97Å; L27-V31 PolarHBondContact O-N 3.39Å; L28-V31 PolarHBondContact O-N 3.42Å; V31-A33 PolarHBondContact O-N 2.99Å; V31-Q34 PolarHBondContact O-N 3.15Å; V31-F35 HydrophobicContact CG1-CD2 4.2Å; V31-F35 PolarHBondContact O-N 3.45Å; V31-A38 HydrophobicContact CG1-CB 4.13Å; V31-L41 HydrophobicContact CG1-CD2 4.05Å; V31-L41 HydrophobicContact CG2-CD1 4.3Å; V31-L61 HydrophobicContact CG2-CD1 3.78Å; V31-V75 HydrophobicContact CG1-CG1 3.87Å |
| 32 | T | 93 | Very high | 92.6 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.2 | -19.8 | -179 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | L28 S29 Q34 F35 P36 A38 | L28-T32 HydrophobicContact CD1-CG2 4.38Å; L28-T32 HydrophobicContact CG-CG2 4.19Å; L28-T32 WeakPolarHBondContact O-CG2 3.47Å; L28-T32 PolarHBondContact O-N 3.25Å; L28-T32 PolarHBondContact O-OG1 2.94Å; S29-T32 VanDerWaalsContact CA-OG1 3.28Å; S29-T32 WeakPolarHBondContact CA-OG1 3.47Å; S29-T32 PolarHBondContact O-N 2.87Å; S29-T32 PolarHBondContact O-OG1 3.09Å; T32-Q34 VanDerWaalsContact C-N 3.29Å; T32-F35 WeakPolarHBondContact CA-O 3.41Å; T32-F35 CarbonylContact O-C 3.56Å; T32-P36 WeakPolarHBondContact O-CA 3.37Å; T32-A38 HydrophobicContact CG2-CB 4.34Å; T32-A38 WeakPolarHBondContact CG2-O 3.45Å |
| 33 | A | 92.6 | Very high | 92.9 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 59% | 0.587 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.7 | -33.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S29 T30 V31 | S29-A33 PolarHBondContact O-N 3.36Å; T30-A33 WeakPolarHBondContact O-CB 3.22Å; T30-A33 PolarHBondContact O-N 2.81Å; V31-A33 PolarHBondContact O-N 2.99Å |
| 34 | Q | 92.4 | Very high | 93.1 | Very high | 112 Ų | 112 | 43.3 Ų | 43.3 | 52% | 0.523 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -95.7 | -31.3 | 174.6 | -56.8 | -55.9 | -23.9 | 0 | 0 | 112.5 | I18 V31 T32 P36 | I18-Q34 HydrophobicContact CD1-CB 4.02Å; I18-Q34 HydrophobicContact CD1-CG 3.53Å; V31-Q34 PolarHBondContact O-N 3.15Å; T32-Q34 VanDerWaalsContact C-N 3.29Å; Q34-P36 WeakPolarHBondContact O-CD 3.43Å |
| 35 | F | 92.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -123.3 | 80.1 | -177.1 | -57.5 | -79.3 | 0 | 0 | 0 | 111 | V7 E9 I16 I18 V31 T32 G37 A38 V75 | V7-F35 HydrophobicContact CB-CE2 3.91Å; V7-F35 HydrophobicContact CB-CZ 4.43Å; V7-F35 HydrophobicContact CG1-CD2 4.04Å; V7-F35 HydrophobicContact CG1-CE2 3.57Å; V7-F35 HydrophobicContact CG1-CZ 4.13Å; E9-F35 HydrophobicContact CB-CD1 4.49Å; E9-F35 HydrophobicContact CB-CE1 4.37Å; I16-F35 HydrophobicContact CB-CZ 4.29Å; I16-F35 HydrophobicContact CD1-CE1 4.5Å; I16-F35 HydrophobicContact CD1-CZ 3.96Å; I16-F35 HydrophobicContact CG1-CZ 4.35Å; I18-F35 HydrophobicContact CD1-CE2 4.36Å; V31-F35 HydrophobicContact CG1-CD2 4.2Å; V31-F35 PolarHBondContact O-N 3.45Å; T32-F35 WeakPolarHBondContact CA-O 3.41Å; T32-F35 CarbonylContact O-C 3.56Å; F35-G37 PolarHBondContact O-N 2.82Å; F35-A38 HydrophobicContact CB-CB 4.09Å; F35-A38 VanDerWaalsContact O-CB 3.31Å; F35-A38 WeakPolarHBondContact O-CB 3.31Å; F35-A38 PolarHBondContact O-N 3.42Å; F35-A38 VanDerWaalsContact O-N 3.11Å; F35-V75 HydrophobicContact CB-CG1 3.98Å; F35-V75 HydrophobicContact CB-CG2 4.48Å; F35-V75 HydrophobicContact CD1-CG1 4.34Å; F35-V75 HydrophobicContact CD1-CG2 4.15Å; F35-V75 HydrophobicContact CD2-CG1 3.91Å; F35-V75 HydrophobicContact CG-CG1 3.81Å; F35-V75 HydrophobicContact CG-CG2 4.34Å |
| 36 | P | 90.4 | Very high | 92.9 | Very high | 102 Ų | 102 | 46.9 Ų | 46.9 | 66% | 0.662 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 126.6 | -176.5 | -26 | 34.9 | 0 | 0 | 0 | 112.4 | T32 Q34 Y77 | T32-P36 WeakPolarHBondContact O-CA 3.37Å; Q34-P36 WeakPolarHBondContact O-CD 3.43Å; P36-Y77 WeakPolarHBondContact O-CE1 3.49Å |
| 37 | G | 88.7 | Confident | 92.7 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 1.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F35 C39 P78 | F35-G37 PolarHBondContact O-N 2.82Å; G37-C39 PolarHBondContact O-N 3.13Å; G37-P78 WeakPolarHBondContact O-CD 3.36Å |
| 38 | A | 91.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | trans | -58.8 | 133.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V31 T32 F35 V75 Y77 | V31-A38 HydrophobicContact CG1-CB 4.13Å; T32-A38 HydrophobicContact CG2-CB 4.34Å; T32-A38 WeakPolarHBondContact CG2-O 3.45Å; F35-A38 HydrophobicContact CB-CB 4.09Å; F35-A38 VanDerWaalsContact O-CB 3.31Å; F35-A38 WeakPolarHBondContact O-CB 3.31Å; F35-A38 PolarHBondContact O-N 3.42Å; F35-A38 VanDerWaalsContact O-N 3.11Å; A38-V75 HydrophobicContact CB-CB 4.17Å; A38-V75 HydrophobicContact CB-CG1 4.09Å; A38-Y77 HydrophobicContact CB-CE1 4.27Å | ||
| 39 | C | 92.4 | Very high | 92.3 | Very high | 58 Ų | 58 | 57.2 Ų | 57.2 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | trans | -113.6 | -0.6 | -180 | 67.4 | 0 | 0 | 0 | 0 | 113.6 | G37 L56 N76 P78 | G37-C39 PolarHBondContact O-N 3.13Å; C39-L56 VanDerWaalsContact O-CD2 3.31Å; C39-L56 WeakPolarHBondContact O-CD2 3.46Å; C39-N76 PolarHBondContact N-O 3.42Å; C39-N76 PolarHBondContact SG-O 3.27Å; C39-P78 VanDerWaalsContact SG-N 3.42Å | ||
| 40 | G | 94.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 57.2 Ų | 57.2 | 9% | 0.093 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -176.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N76 | G40-N76 PolarHBondContact O-N 3.08Å |
| 41 | L | 95.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.5 | -179.7 | -62.8 | -177.8 | 0 | 0 | 0 | 111.1 | I5 V7 V31 V54 L61 V75 | I5-L41 HydrophobicContact CD1-CD1 3.78Å; V7-L41 HydrophobicContact CG1-CD2 3.8Å; V7-L41 HydrophobicContact CG2-CD1 4.34Å; V31-L41 HydrophobicContact CG1-CD2 4.05Å; V31-L41 HydrophobicContact CG2-CD1 4.3Å; L41-V54 HydrophobicContact CB-CB 3.96Å; L41-V54 HydrophobicContact CB-CG2 3.71Å; L41-V54 PolarHBondContact O-N 2.86Å; L41-L61 HydrophobicContact CD1-CD1 3.75Å; L41-L61 HydrophobicContact CG-CD1 4.01Å; L41-L61 HydrophobicContact CG-CD2 4.44Å; L41-V75 HydrophobicContact CD2-CB 4.3Å; L41-V75 HydrophobicContact CD2-CG1 3.56Å |
| 42 | R | 95.1 | Very high | 92 | Very high | 94 Ų | 94 | 64.4 Ų | 64.4 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 157.7 | 168.1 | 58.9 | 179.9 | 177.1 | 134.9 | 8.5 | 109.8 | M51 R52 Y73 V74 N76 | R42-M51 HydrophobicContact CB-CE 4.26Å; R42-M51 HydrophobicContact CG-CE 3.66Å; R42-R52 CarbonylContact C-O 3.51Å; R42-R52 VanDerWaalsContact CA-O 3.23Å; R42-R52 WeakPolarHBondContact CA-O 3.11Å; R42-R52 WeakPolarHBondContact CB-O 3.38Å; R42-Y73 CarbonylContact O-C 3.48Å; R42-Y73 WeakPolarHBondContact O-CA 3.21Å; R42-V74 HydrophobicContact CG-CB 4.17Å; R42-V74 PolarHBondContact N-O 2.75Å; R42-V74 PolarHBondContact O-N 2.92Å; R42-N76 WeakPolarHBondContact CD-OD1 3.4Å; R42-N76 WeakPolarHBondContact CG-OD1 3.44Å; R42-N76 PolarHBondContact NE-OD1 2.85Å |
| 43 | Y | 94.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 64.9 Ų | 64.9 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 160.6 | 177.2 | 68.4 | -79.7 | 0 | 0 | 0 | 110.3 | M51 R52 V54 P64 L71 Y73 | Y43-M51 CarbonylContact O-C 3.58Å; Y43-M51 WeakPolarHBondContact O-CA 3.47Å; Y43-R52 HydrophobicContact CD1-CB 4.21Å; Y43-R52 VanDerWaalsContact CD1-O 3.31Å; Y43-R52 WeakPolarHBondContact CD1-O 3.49Å; Y43-R52 HydrophobicContact CE1-CB 3.77Å; Y43-R52 HydrophobicContact CE1-CG 3.72Å; Y43-R52 HydrophobicContact CE2-CB 4.31Å; Y43-R52 PolarHBondContact N-O 2.88Å; Y43-R52 PolarHBondContact O-N 2.99Å; Y43-R52 WeakPolarHBondContact OH-CD 3.24Å; Y43-R52 PolarHBondContact OH-NE 2.64Å; Y43-V54 HydrophobicContact CD1-CG2 4.03Å; Y43-V54 HydrophobicContact CE1-CG2 4.5Å; Y43-P64 HydrophobicContact CE1-CG 3.78Å; Y43-P64 WeakPolarHBondContact OH-CG 3.36Å; Y43-L71 HydrophobicContact CD2-CD1 3.63Å; Y43-L71 HydrophobicContact CE2-CD1 3.72Å; Y43-Y73 HydrophobicContact CD1-CD1 4.12Å; Y43-Y73 AromaticContact CD1-CE1 3.6Å; Y43-Y73 HydrophobicContact CD1-CE1 3.6Å; Y43-Y73 HydrophobicContact CE1-CE1 4.38Å; Y43-Y73 HydrophobicContact CG-CD1 4.18Å; Y43-Y73 AromaticContact CG-CE1 3.73Å; Y43-Y73 HydrophobicContact CG-CE1 3.73Å |
| 44 | R | 92.6 | Very high | 92.2 | Very high | 117 Ų | 117 | 62.3 Ų | 62.3 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.2 | 174.6 | -164.5 | 163.7 | -168.4 | 147.4 | 1.3 | 110.1 | E11 P46 Q49 M51 | E11-R44 IonicContact OE1-NH1 3.97Å; R44-P46 WeakPolarHBondContact O-CD 3.31Å; R44-Q49 PolarHBondContact NE-O 3.36Å; R44-M51 HydrophobicContact CB-SD 4.08Å; R44-M51 HydrophobicContact CG-SD 4.35Å |
| 45 | N | 91.3 | Very high | 92.4 | Very high | 30 Ų | 30 | 65.6 Ų | 65.6 | 16% | 0.16 | 36% | 0.364 | C | S | . | . | trans | -69.8 | 120.9 | 175.5 | -178.6 | -8.7 | 0 | 0 | 0 | 109.4 | V47 S48 Q49 C50 | N45-V47 PolarHBondContact O-N 2.92Å; N45-V47 PolarHBondContact OD1-N 3.02Å; N45-V47 VanDerWaalsContact OD1-N 3.07Å; N45-S48 WeakPolarHBondContact CB-OG 3.49Å; N45-S48 PolarHBondContact ND2-OG 3.29Å; N45-Q49 VanDerWaalsContact O-CA 3.24Å; N45-Q49 WeakPolarHBondContact O-CA 3.23Å; N45-Q49 PolarHBondContact O-N 2.92Å; N45-C50 PolarHBondContact N-O 3.1Å | ||
| 46 | P | 89.1 | Confident | 92.5 | Very high | 80 Ų | 80 | 68.3 Ų | 68.3 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -29.5 | -177.1 | 24.8 | -34.5 | 0 | 0 | 0 | 113 | R44 Q49 L71 | R44-P46 WeakPolarHBondContact O-CD 3.31Å; P46-Q49 PolarHBondContact O-NE2 2.99Å; P46-L71 HydrophobicContact CG-CD2 4.43Å |
| 47 | V | 89.9 | Confident | 92.7 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 79% | 0.794 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -54.2 | -178 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | N45 | N45-V47 PolarHBondContact O-N 2.92Å; N45-V47 PolarHBondContact OD1-N 3.02Å; N45-V47 VanDerWaalsContact OD1-N 3.07Å |
| 48 | S | 91.3 | Very high | 92.9 | Very high | 60 Ų | 60 | 73.5 Ų | 73.5 | 42% | 0.42 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.4 | -173.9 | 76.9 | 0 | 0 | 0 | 0 | 113.9 | N45 C50 | N45-S48 WeakPolarHBondContact CB-OG 3.49Å; N45-S48 PolarHBondContact ND2-OG 3.29Å; S48-C50 PolarHBondContact O-N 2.88Å; S48-C50 PolarHBondContact O-SG 3.29Å; S48-C50 VanDerWaalsContact O-SG 3.35Å; S48-C50 PolarHBondContact OG-N 2.83Å |
| 49 | Q | 89.7 | Confident | 92.8 | Very high | 105 Ų | 105 | 74.5 Ų | 74.5 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | trans | 58.7 | 10.6 | -173.6 | -64.8 | -64.9 | -47.9 | 0 | 0 | 114.8 | R44 N45 P46 | R44-Q49 PolarHBondContact NE-O 3.36Å; N45-Q49 VanDerWaalsContact O-CA 3.24Å; N45-Q49 WeakPolarHBondContact O-CA 3.23Å; N45-Q49 PolarHBondContact O-N 2.92Å; P46-Q49 PolarHBondContact O-NE2 2.99Å | ||
| 50 | C | 90.3 | Very high | 92.9 | Very high | 73 Ų | 73 | 74.4 Ų | 74.4 | 49% | 0.493 | 39% | 0.391 | S | S | . | . | trans | -88.1 | 151.1 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | N45 S48 R52 | N45-C50 PolarHBondContact N-O 3.1Å; S48-C50 PolarHBondContact O-N 2.88Å; S48-C50 PolarHBondContact O-SG 3.29Å; S48-C50 VanDerWaalsContact O-SG 3.35Å; S48-C50 PolarHBondContact OG-N 2.83Å; C50-R52 PolarHBondContact O-N 3.22Å | ||
| 51 | M | 91.9 | Very high | 93 | Very high | 73 Ų | 73 | 74 Ų | 74 | 36% | 0.36 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 125.7 | 166.1 | -63.5 | -55.4 | -72.5 | 0 | 0 | 109.6 | R42 Y43 R44 | R42-M51 HydrophobicContact CB-CE 4.26Å; R42-M51 HydrophobicContact CG-CE 3.66Å; Y43-M51 CarbonylContact O-C 3.58Å; Y43-M51 WeakPolarHBondContact O-CA 3.47Å; R44-M51 HydrophobicContact CB-SD 4.08Å; R44-M51 HydrophobicContact CG-SD 4.35Å |
| 52 | R | 93.7 | Very high | 93 | Very high | 111 Ų | 111 | 77.1 Ų | 77.1 | 42% | 0.419 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.1 | 178.6 | -174.2 | 160.5 | 174.1 | -171.8 | 2.4 | 109.2 | R42 Y43 C50 D65 | R42-R52 CarbonylContact C-O 3.51Å; R42-R52 VanDerWaalsContact CA-O 3.23Å; R42-R52 WeakPolarHBondContact CA-O 3.11Å; R42-R52 WeakPolarHBondContact CB-O 3.38Å; Y43-R52 HydrophobicContact CD1-CB 4.21Å; Y43-R52 VanDerWaalsContact CD1-O 3.31Å; Y43-R52 WeakPolarHBondContact CD1-O 3.49Å; Y43-R52 HydrophobicContact CE1-CB 3.77Å; Y43-R52 HydrophobicContact CE1-CG 3.72Å; Y43-R52 HydrophobicContact CE2-CB 4.31Å; Y43-R52 PolarHBondContact N-O 2.88Å; Y43-R52 PolarHBondContact O-N 2.99Å; Y43-R52 WeakPolarHBondContact OH-CD 3.24Å; Y43-R52 PolarHBondContact OH-NE 2.64Å; C50-R52 PolarHBondContact O-N 3.22Å; R52-D65 IonicContact NH2-OD2 3.88Å |
| 53 | G | 94.3 | Very high | 92.9 | Very high | 58 Ų | 58 | 74.4 Ų | 74.4 | 60% | 0.598 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 147.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 54 | V | 96 | Very high | 92.8 | Very high | 18 Ų | 18 | 74.9 Ų | 74.9 | 11% | 0.109 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 138.3 | 167.4 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | L41 Y43 L56 L61 H62 W68 Y73 | L41-V54 HydrophobicContact CB-CB 3.96Å; L41-V54 HydrophobicContact CB-CG2 3.71Å; L41-V54 PolarHBondContact O-N 2.86Å; Y43-V54 HydrophobicContact CD1-CG2 4.03Å; Y43-V54 HydrophobicContact CE1-CG2 4.5Å; V54-L56 PolarHBondContact O-N 2.74Å; V54-L61 HydrophobicContact CB-CD2 4.42Å; V54-L61 HydrophobicContact CG1-CB 4.1Å; V54-L61 HydrophobicContact CG1-CD2 3.93Å; V54-H62 WeakPolarHBondContact CG1-O 3.22Å; V54-W68 HydrophobicContact CG1-CH2 3.56Å; V54-W68 HydrophobicContact CG1-CZ3 3.77Å; V54-W68 HydrophobicContact CG2-CZ3 4.16Å; V54-Y73 HydrophobicContact CG2-CD1 3.57Å; V54-Y73 HydrophobicContact CG2-CE1 3.66Å |
| 55 | R | 96.3 | Very high | 92.5 | Very high | 181 Ų | 181 | 76.9 Ų | 76.9 | 68% | 0.683 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.8 | 179.1 | 174.8 | -178.4 | -69.6 | -116.6 | 2.8 | 109.2 | V57 L61 H62 | R55-V57 HydrophobicContact CG-CG2 4.08Å; R55-L61 CarbonylContact O-C 3.46Å; R55-L61 WeakPolarHBondContact O-CA 3.47Å; R55-H62 HydrophobicContact CB-CB 4.23Å; R55-H62 HydrophobicContact CG-CB 4.35Å; R55-H62 PolarHBondContact O-N 3.39Å |
| 56 | L | 94.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 80.2 Ų | 80.2 | 35% | 0.351 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 123.9 | 175.7 | 176.6 | 64.9 | 0 | 0 | 0 | 109.3 | L28 C39 V54 I60 L61 | L28-L56 HydrophobicContact CB-CD1 4.23Å; L28-L56 HydrophobicContact CD2-CD1 4.26Å; L28-L56 HydrophobicContact CD2-CD2 4.11Å; C39-L56 VanDerWaalsContact O-CD2 3.31Å; C39-L56 WeakPolarHBondContact O-CD2 3.46Å; V54-L56 PolarHBondContact O-N 2.74Å; L56-I60 WeakPolarHBondContact CA-O 3.37Å; L56-L61 HydrophobicContact CB-CD2 4.03Å; L56-L61 HydrophobicContact CD1-CD2 3.82Å; L56-L61 HydrophobicContact CD1-CG 3.99Å; L56-L61 HydrophobicContact CG-CD2 4.43Å |
| 57 | V | 94.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 77.9 Ų | 77.9 | 41% | 0.406 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 120.5 | 176.7 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | R55 G59 I60 | R55-V57 HydrophobicContact CG-CG2 4.08Å; V57-G59 PolarHBondContact O-N 2.78Å; V57-G59 VanDerWaalsContact O-N 3.08Å; V57-I60 PolarHBondContact N-O 3.35Å; V57-I60 WeakPolarHBondContact O-CA 3.31Å; V57-I60 WeakPolarHBondContact O-CB 3.45Å; V57-I60 PolarHBondContact O-N 2.87Å |
| 58 | E | 92.7 | Very high | 92.4 | Very high | 192 Ų | 192 | 72.2 Ų | 72.2 | 90% | 0.897 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 34.8 | 177.4 | -59.2 | -169 | 144.8 | 0 | 0 | 115 | I60 | E58-I60 VanDerWaalsContact C-N 3.33Š|
| 59 | G | 90.1 | Very high | 92.3 | Very high | 28 Ų | 28 | 71.8 Ų | 71.8 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 3.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L28 V57 | L28-G59 WeakPolarHBondContact CB-O 3.44Å; L28-G59 PolarHBondContact N-O 3.47Å; V57-G59 PolarHBondContact O-N 2.78Å; V57-G59 VanDerWaalsContact O-N 3.08Å |
| 60 | I | 94.9 | Very high | 92.3 | Very high | 55 Ų | 55 | 73.3 Ų | 73.3 | 28% | 0.282 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.3 | 178.2 | -53.6 | 175.2 | 0 | 0 | 0 | 109.1 | T25 L27 L56 V57 E58 | T25-I60 VanDerWaalsContact CB-CG2 3.46Å; T25-I60 HydrophobicContact CG2-CG2 3.78Å; T25-I60 WeakPolarHBondContact OG1-CG2 3.19Å; L27-I60 HydrophobicContact CD2-CG1 4.03Å; L56-I60 WeakPolarHBondContact CA-O 3.37Å; V57-I60 PolarHBondContact N-O 3.35Å; V57-I60 WeakPolarHBondContact O-CA 3.31Å; V57-I60 WeakPolarHBondContact O-CB 3.45Å; V57-I60 PolarHBondContact O-N 2.87Å; E58-I60 VanDerWaalsContact C-N 3.33Å |
| 61 | L | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.5 | 174.9 | -63.9 | 156.8 | 0 | 0 | 0 | 109 | T25 V26 L28 V31 L41 V54 R55 L56 W68 | T25-L61 WeakPolarHBondContact CA-O 3.48Å; T25-L61 WeakPolarHBondContact CB-O 3.17Å; V26-L61 HydrophobicContact CB-CB 4.26Å; V26-L61 HydrophobicContact CG1-CD1 4.35Å; V26-L61 PolarHBondContact N-O 3.1Å; V26-L61 WeakPolarHBondContact O-CA 3.5Å; V26-L61 WeakPolarHBondContact O-CB 3.17Å; V26-L61 PolarHBondContact O-N 3.31Å; L28-L61 HydrophobicContact CD1-CD1 4.41Å; V31-L61 HydrophobicContact CG2-CD1 3.78Å; L41-L61 HydrophobicContact CD1-CD1 3.75Å; L41-L61 HydrophobicContact CG-CD1 4.01Å; L41-L61 HydrophobicContact CG-CD2 4.44Å; V54-L61 HydrophobicContact CB-CD2 4.42Å; V54-L61 HydrophobicContact CG1-CB 4.1Å; V54-L61 HydrophobicContact CG1-CD2 3.93Å; R55-L61 CarbonylContact O-C 3.46Å; R55-L61 WeakPolarHBondContact O-CA 3.47Å; L56-L61 HydrophobicContact CB-CD2 4.03Å; L56-L61 HydrophobicContact CD1-CD2 3.82Å; L56-L61 HydrophobicContact CD1-CG 3.99Å; L56-L61 HydrophobicContact CG-CD2 4.43Å; L61-W68 HydrophobicContact CB-CH2 4.01Å; L61-W68 HydrophobicContact CB-CZ2 4.46Å |
| 62 | H | 95.5 | Very high | 92.4 | Very high | 69 Ų | 69 | 71.4 Ų | 71.4 | 32% | 0.319 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.1 | 179.1 | -69 | -91.8 | 0 | 0 | 0 | 110.9 | V54 R55 | V54-H62 WeakPolarHBondContact CG1-O 3.22Å; R55-H62 HydrophobicContact CB-CB 4.23Å; R55-H62 HydrophobicContact CG-CB 4.35Å; R55-H62 PolarHBondContact O-N 3.39Å |
| 63 | A | 93.3 | Very high | 92.4 | Very high | 38 Ų | 38 | 66.1 Ų | 66.1 | 31% | 0.314 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 148.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W68 | A63-W68 HydrophobicContact CB-CD2 3.98Å; A63-W68 HydrophobicContact CB-CG 4.1Å; A63-W68 HydrophobicContact CB-CZ2 4.13Å |
| 64 | P | 90.8 | Very high | 92.5 | Very high | 20 Ų | 20 | 63.7 Ų | 63.7 | 13% | 0.13 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 164 | 165.5 | -22.1 | 33.3 | 0 | 0 | 0 | 112.3 | Y43 A66 G67 | Y43-P64 HydrophobicContact CE1-CG 3.78Å; Y43-P64 WeakPolarHBondContact OH-CG 3.36Å; P64-A66 PolarHBondContact O-N 2.69Å; P64-G67 WeakPolarHBondContact O-CA 3.43Å; P64-G67 PolarHBondContact O-N 2.75Å |
| 65 | D | 87 | Confident | 92.4 | Very high | 158 Ų | 158 | 63.1 Ų | 63.1 | 85% | 0.845 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.8 | 178.8 | -50 | -52.4 | 0 | 0 | 0 | 113.4 | R52 | R52-D65 IonicContact NH2-OD2 3.88Š|
| 66 | A | 86.6 | Confident | 92.2 | Very high | 101 Ų | 101 | 56.8 Ų | 56.8 | 84% | 0.835 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 5.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P64 | P64-A66 PolarHBondContact O-N 2.69Š|
| 67 | G | 90.4 | Very high | 92 | Very high | 31 Ų | 31 | 58.2 Ų | 58.2 | 32% | 0.32 | 35% | 0.345 | S | S | . | . | trans | 78.7 | -179.8 | -171 | 0 | 0 | 0 | 0 | 0 | 113.4 | P64 | P64-G67 WeakPolarHBondContact O-CA 3.43Å; P64-G67 PolarHBondContact O-N 2.75Å | ||
| 68 | W | 91.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 5% | 0.045 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -69.8 | -41.1 | 178 | -65.5 | 111.3 | 0 | 0 | 0 | 112.5 | I5 G24 V26 V54 L61 A63 Y73 | I5-W68 HydrophobicContact CB-CE3 4.49Å; I5-W68 HydrophobicContact CD1-CE3 4.4Å; I5-W68 HydrophobicContact CD1-CZ3 4.22Å; I5-W68 HydrophobicContact CG2-CB 3.68Å; I5-W68 HydrophobicContact CG2-CD2 3.44Å; I5-W68 VanDerWaalsContact CG2-CD2 3.44Å; I5-W68 HydrophobicContact CG2-CE3 3.81Å; I5-W68 HydrophobicContact CG2-CG 3.36Å; G24-W68 PolarHBondContact O-NE1 3.5Å; V26-W68 HydrophobicContact CB-CZ2 4.11Å; V26-W68 HydrophobicContact CG2-CH2 4.34Å; V26-W68 HydrophobicContact CG2-CZ2 3.7Å; V54-W68 HydrophobicContact CG1-CH2 3.56Å; V54-W68 HydrophobicContact CG1-CZ3 3.77Å; V54-W68 HydrophobicContact CG2-CZ3 4.16Å; L61-W68 HydrophobicContact CB-CH2 4.01Å; L61-W68 HydrophobicContact CB-CZ2 4.46Å; A63-W68 HydrophobicContact CB-CD2 3.98Å; A63-W68 HydrophobicContact CB-CG 4.1Å; A63-W68 HydrophobicContact CB-CZ2 4.13Å; W68-Y73 WeakPolarHBondContact CA-OH 3.31Å; W68-Y73 HydrophobicContact CE3-CD1 4.39Å; W68-Y73 HydrophobicContact CE3-CD2 4.49Å; W68-Y73 AromaticContact CE3-CE1 3.71Å; W68-Y73 HydrophobicContact CE3-CE1 3.71Å; W68-Y73 AromaticContact CE3-CE2 3.84Å; W68-Y73 HydrophobicContact CE3-CE2 3.84Å; W68-Y73 AromaticContact CE3-CZ 3.43Å; W68-Y73 VanDerWaalsContact CE3-CZ 3.43Å; W68-Y73 HydrophobicContact CZ3-CD1 4.15Å; W68-Y73 AromaticContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE1 3.74Å; W68-Y73 AromaticContact CZ3-CZ 3.98Å; W68-Y73 PolarHBondContact O-OH 3.35Å |
| 69 | G | 88.4 | Confident | 90.9 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 53% | 0.526 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -164.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L71 | G69-L71 PolarHBondContact O-N 2.72Å; G69-L71 VanDerWaalsContact O-N 3.14Å |
| 70 | N | 89.2 | Confident | 89.5 | Confident | 137 Ų | 137 | 64.4 Ų | 64.4 | 73% | 0.733 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 40.7 | 176.3 | -68.2 | -22.2 | 0 | 0 | 0 | 111.5 | R6 | R6-N70 VanDerWaalsContact NH2-C 3.32Å; R6-N70 PolarHBondContact NH2-O 3.01Å |
| 71 | L | 90.8 | Very high | 87.2 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -88.6 | 155.3 | 176.4 | -60.7 | 175.3 | 0 | 0 | 0 | 110.5 | Y43 P46 G69 Y73 | Y43-L71 HydrophobicContact CD2-CD1 3.63Å; Y43-L71 HydrophobicContact CE2-CD1 3.72Å; P46-L71 HydrophobicContact CG-CD2 4.43Å; G69-L71 PolarHBondContact O-N 2.72Å; G69-L71 VanDerWaalsContact O-N 3.14Å; L71-Y73 HydrophobicContact CB-CE2 3.87Å |
| 72 | V | 93.1 | Very high | 84.8 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 35% | 0.345 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.6 | 171.9 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | T8 P15 | T8-V72 HydrophobicContact CG2-CG1 3.59Å; P15-V72 HydrophobicContact CB-CG1 4.23Å |
| 73 | Y | 95.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 132.9 | -179.6 | -65.7 | -92.8 | 0 | 0 | 0 | 109.3 | R6 V7 T8 R42 Y43 V54 W68 L71 | R6-Y73 PolarHBondContact O-N 2.74Å; V7-Y73 CarbonylContact C-O 3.59Å; V7-Y73 VanDerWaalsContact CA-O 3.25Å; V7-Y73 WeakPolarHBondContact CA-O 3.3Å; T8-Y73 PolarHBondContact N-O 3.29Å; R42-Y73 CarbonylContact O-C 3.48Å; R42-Y73 WeakPolarHBondContact O-CA 3.21Å; Y43-Y73 HydrophobicContact CD1-CD1 4.12Å; Y43-Y73 AromaticContact CD1-CE1 3.6Å; Y43-Y73 HydrophobicContact CD1-CE1 3.6Å; Y43-Y73 HydrophobicContact CE1-CE1 4.38Å; Y43-Y73 HydrophobicContact CG-CD1 4.18Å; Y43-Y73 AromaticContact CG-CE1 3.73Å; Y43-Y73 HydrophobicContact CG-CE1 3.73Å; V54-Y73 HydrophobicContact CG2-CD1 3.57Å; V54-Y73 HydrophobicContact CG2-CE1 3.66Å; W68-Y73 WeakPolarHBondContact CA-OH 3.31Å; W68-Y73 HydrophobicContact CE3-CD1 4.39Å; W68-Y73 HydrophobicContact CE3-CD2 4.49Å; W68-Y73 AromaticContact CE3-CE1 3.71Å; W68-Y73 HydrophobicContact CE3-CE1 3.71Å; W68-Y73 AromaticContact CE3-CE2 3.84Å; W68-Y73 HydrophobicContact CE3-CE2 3.84Å; W68-Y73 AromaticContact CE3-CZ 3.43Å; W68-Y73 VanDerWaalsContact CE3-CZ 3.43Å; W68-Y73 HydrophobicContact CZ3-CD1 4.15Å; W68-Y73 AromaticContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE1 3.74Å; W68-Y73 AromaticContact CZ3-CZ 3.98Å; W68-Y73 PolarHBondContact O-OH 3.35Å; L71-Y73 HydrophobicContact CB-CE2 3.87Å |
| 74 | V | 95.2 | Very high | 80 | Confident | 8 Ų | 8 | 90.3 Ų | 90.3 | 5% | 0.048 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.2 | 178.9 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | T8 E9 E11 R42 | T8-V74 HydrophobicContact CG2-CG2 4.11Å; T8-V74 CarbonylContact O-C 3.48Å; T8-V74 VanDerWaalsContact O-CA 3.29Å; T8-V74 WeakPolarHBondContact O-CA 3.12Å; E9-V74 WeakPolarHBondContact O-CG1 3.4Å; E11-V74 HydrophobicContact CG-CG2 4.26Å; R42-V74 HydrophobicContact CG-CB 4.17Å; R42-V74 PolarHBondContact N-O 2.75Å; R42-V74 PolarHBondContact O-N 2.92Å |
| 75 | V | 95.3 | Very high | 77.6 | Confident | 5 Ų | 5 | 98 Ų | 98 | 3% | 0.03 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 142.7 | 174.8 | -71 | 0 | 0 | 0 | 0 | 111.5 | V7 T8 E9 V31 F35 A38 L41 Y77 | V7-V75 HydrophobicContact CG1-CG1 3.57Å; T8-V75 PolarHBondContact O-N 2.84Å; E9-V75 HydrophobicContact CB-CG2 3.98Å; V31-V75 HydrophobicContact CG1-CG1 3.87Å; F35-V75 HydrophobicContact CB-CG1 3.98Å; F35-V75 HydrophobicContact CB-CG2 4.48Å; F35-V75 HydrophobicContact CD1-CG1 4.34Å; F35-V75 HydrophobicContact CD1-CG2 4.15Å; F35-V75 HydrophobicContact CD2-CG1 3.91Å; F35-V75 HydrophobicContact CG-CG1 3.81Å; F35-V75 HydrophobicContact CG-CG2 4.34Å; A38-V75 HydrophobicContact CB-CB 4.17Å; A38-V75 HydrophobicContact CB-CG1 4.09Å; L41-V75 HydrophobicContact CD2-CB 4.3Å; L41-V75 HydrophobicContact CD2-CG1 3.56Å; V75-Y77 HydrophobicContact CB-CE2 4.47Å; V75-Y77 HydrophobicContact CG2-CD2 4.41Å; V75-Y77 HydrophobicContact CG2-CE2 3.55Å |
| 76 | N | 92.2 | Very high | 75.4 | Confident | 49 Ų | 49 | 97.2 Ų | 97.2 | 26% | 0.262 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.8 | 169.6 | -65.2 | -38.9 | 0 | 0 | 0 | 108.5 | C39 G40 R42 | C39-N76 PolarHBondContact N-O 3.42Å; C39-N76 PolarHBondContact SG-O 3.27Å; G40-N76 PolarHBondContact O-N 3.08Å; R42-N76 WeakPolarHBondContact CD-OD1 3.4Å; R42-N76 WeakPolarHBondContact CG-OD1 3.44Å; R42-N76 PolarHBondContact NE-OD1 2.85Å |
| 77 | Y | 90.2 | Very high | 73.4 | Confident | 96 Ų | 96 | 101.5 Ų | 101.5 | 38% | 0.376 | 51% | 0.509 | S | S | . | . | trans | -97.6 | 144 | 168.5 | -63.1 | -75.5 | 0 | 0 | 0 | 109.3 | P36 A38 V75 K79 | P36-Y77 WeakPolarHBondContact O-CE1 3.49Å; A38-Y77 HydrophobicContact CB-CE1 4.27Å; V75-Y77 HydrophobicContact CB-CE2 4.47Å; V75-Y77 HydrophobicContact CG2-CD2 4.41Å; V75-Y77 HydrophobicContact CG2-CE2 3.55Å; Y77-K79 PolarHBondContact O-N 3.43Å; Y77-K79 VanDerWaalsContact O-N 3.1Å | ||
| 78 | P | 86.5 | Confident | 71.1 | Confident | 76 Ų | 76 | 105.5 Ų | 105.5 | 49% | 0.494 | 53% | 0.527 | S | S | . | . | trans | -57.3 | 123 | 167.4 | 25 | -29.1 | 0 | 0 | 0 | 106.6 | G37 C39 D80 | G37-P78 WeakPolarHBondContact O-CD 3.36Å; C39-P78 VanDerWaalsContact SG-N 3.42Å; P78-D80 PolarHBondContact O-N 3.01Å | ||
| 79 | K | 77.8 | Confident | 68.5 | Low | 195 Ų | 195 | 112.2 Ų | 112.2 | 85% | 0.848 | 56% | 0.564 | S | S | * | * | trans | -63 | 110.6 | 165.8 | -75.6 | -176.2 | 177.8 | -179.1 | 0 | 105.1 | Y77 N81 | Y77-K79 PolarHBondContact O-N 3.43Å; Y77-K79 VanDerWaalsContact O-N 3.1Å; K79-N81 PolarHBondContact O-N 2.8Å | ||
| 80 | D | 59.7 | Low | 66.4 | Low | 146 Ų | 146 | 113.9 Ų | 113.9 | 78% | 0.781 | 57% | 0.572 | S | S | * | * | trans | -53.2 | 98 | 162.4 | -102.5 | -74.5 | 0 | 0 | 0 | 105.8 | P78 K82 | P78-D80 PolarHBondContact O-N 3.01Å; D80-K82 PolarHBondContact O-N 3.1Å | ||
| 81 | N | 47.6 | Very low | 63.9 | Low | 120 Ų | 120 | 112.7 Ų | 112.7 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | trans | -73.4 | 74 | 165.7 | -135.5 | 49.9 | 0 | 0 | 0 | 103.6 | K79 R83 | K79-N81 PolarHBondContact O-N 2.8Å; N81-R83 PolarHBondContact O-N 2.95Å | ||
| 82 | K | 45.4 | Very low | 61.7 | Low | 185 Ų | 185 | 116.3 Ų | 116.3 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | trans | -67.4 | 60.5 | 171.6 | -158.3 | 175.2 | -170 | 167.9 | 0 | 107 | D80 K84 | D80-K82 PolarHBondContact O-N 3.1Å; K82-K84 VanDerWaalsContact C-N 3.27Å; K82-K84 PolarHBondContact O-N 2.94Å | ||
| 83 | R | 46.8 | Very low | 59.5 | Low | 204 Ų | 204 | 118.3 Ų | 118.3 | 77% | 0.77 | 63% | 0.627 | S | S | * | * | trans | -57.1 | 108.2 | 149 | -67.3 | -175.6 | -169.4 | 167.7 | 2.8 | 102.2 | N81 M85 | N81-R83 PolarHBondContact O-N 2.95Å; R83-M85 PolarHBondContact O-N 3.24Å | ||
| 84 | K | 40.4 | Very low | 57.1 | Low | 198 Ų | 198 | 124.2 Ų | 124.2 | 86% | 0.861 | 66% | 0.662 | S | S | * | * | trans | -46.9 | 96.3 | 163.8 | -80 | 176.6 | 170.1 | -179.1 | 0 | 106.5 | K82 D86 | K82-K84 VanDerWaalsContact C-N 3.27Å; K82-K84 PolarHBondContact O-N 2.94Å; K84-D86 PolarHBondContact O-N 2.83Å | ||
| 85 | M | 41.1 | Very low | 54.6 | Low | 180 Ų | 180 | 133.8 Ų | 133.8 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | trans | -71.8 | 106.8 | 154.3 | -86.6 | 175.1 | 71.4 | 0 | 0 | 103.2 | R83 E87 | R83-M85 PolarHBondContact O-N 3.24Å; M85-E87 PolarHBondContact O-N 3.41Å | ||
| 86 | D | 39.7 | Very low | 52.2 | Low | 143 Ų | 143 | 138.9 Ų | 138.9 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | -58.9 | 127.3 | 166.7 | -159.8 | -114.7 | 0 | 0 | 0 | 107.1 | K84 T88 | K84-D86 PolarHBondContact O-N 2.83Å; D86-T88 PolarHBondContact O-N 2.76Å; D86-T88 VanDerWaalsContact O-N 3.1Å | ||
| 87 | E | 45.7 | Very low | 49.8 | Very low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -70 | 102.4 | -176.5 | -152.2 | -169.7 | 128.6 | 0 | 0 | 107.9 | M85 | M85-E87 PolarHBondContact O-N 3.41Š| ||
| 88 | T | 41.1 | Very low | 47.6 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -142.2 | 109.4 | 161.9 | -47.9 | 0 | 0 | 0 | 0 | 110.4 | D86 | D86-T88 PolarHBondContact O-N 2.76Å; D86-T88 VanDerWaalsContact O-N 3.1Å | ||
| 89 | D | 38.4 | Very low | 45.4 | Very low | 152 Ų | 152 | 152.7 Ų | 152.7 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | 67.9 | 101.8 | 157.2 | -118.7 | -108.5 | 0 | 0 | 0 | 120 | ||||
| 90 | A | 43.8 | Very low | 43.9 | Very low | 86 Ų | 86 | 150.2 Ų | 150.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -67.3 | 126 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 91 | S | 36.9 | Very low | 43.4 | Very low | 113 Ų | 113 | 149.6 Ų | 149.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 164.8 | 103.4 | 130.2 | -77.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 92 | S | 42.9 | Very low | 43.5 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | 171 | 120.2 | 121.5 | 43.4 | 0 | 0 | 0 | 0 | 109.6 | V94 | S92-V94 PolarHBondContact O-N 3.44Š| |||
| 93 | A | 48.4 | Very low | 43.9 | Very low | 99 Ų | 99 | 148.9 Ų | 148.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -68.8 | 115.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 94 | V | 43.8 | Very low | 45.1 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -142.2 | 100.5 | 138.4 | -172.2 | 0 | 0 | 0 | 0 | 107.3 | S92 V96 | S92-V94 PolarHBondContact O-N 3.44Å; V94-V96 HydrophobicContact CG1-CG2 3.92Å; V94-V96 PolarHBondContact O-N 2.99Å | ||
| 95 | K | 44.1 | Very low | 47.1 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | -67.6 | 80.6 | 166.3 | -76.7 | 178.5 | 176 | 177.4 | 0 | 108.6 | K97 | K95-K97 PolarHBondContact O-N 3.07Š| ||
| 96 | V | 44.3 | Very low | 49.3 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | trans | -75.5 | 118.3 | 153.6 | -178.6 | 0 | 0 | 0 | 0 | 105.4 | V94 R98 | V94-V96 HydrophobicContact CG1-CG2 3.92Å; V94-V96 PolarHBondContact O-N 2.99Å; V96-R98 PolarHBondContact O-N 3.19Å | ||
| 97 | K | 41.6 | Very low | 51.7 | Low | 199 Ų | 199 | 135 Ų | 135 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | -54.8 | 91 | 171.3 | -65.7 | 176.2 | 177.8 | 179.2 | 0 | 107.9 | K95 A99 | K95-K97 PolarHBondContact O-N 3.07Å; K97-A99 PolarHBondContact O-N 2.86Å | ||
| 98 | R | 43.4 | Very low | 53.8 | Low | 236 Ų | 236 | 127.4 Ų | 127.4 | 89% | 0.891 | 71% | 0.713 | S | S | * | * | trans | -66.8 | 92.4 | 160.6 | -81.4 | -177 | 176.4 | 162.4 | -0.9 | 104.6 | V96 V100 | V96-R98 PolarHBondContact O-N 3.19Å; R98-V100 PolarHBondContact O-N 3.39Å | ||
| 99 | A | 41.5 | Very low | 56.3 | Low | 75 Ų | 75 | 127.8 Ų | 127.8 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | trans | -41 | 134.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | K97 Q101 | K97-A99 PolarHBondContact O-N 2.86Å; A99-Q101 PolarHBondContact O-N 3.24Å | ||
| 100 | V | 45.9 | Very low | 58.8 | Low | 144 Ų | 144 | 124 Ų | 124 | 87% | 0.873 | 71% | 0.707 | S | S | * | * | trans | -64.9 | 73.7 | 170 | -179.2 | 0 | 0 | 0 | 0 | 106.2 | R98 K102 | R98-V100 PolarHBondContact O-N 3.39Å; V100-K102 PolarHBondContact O-N 3.02Å | ||
| 101 | Q | 48.9 | Very low | 61 | Low | 133 Ų | 133 | 120.8 Ų | 120.8 | 62% | 0.621 | 68% | 0.678 | S | S | * | * | trans | -62 | 120.7 | 155.9 | -80 | -169.9 | -39.3 | 0 | 0 | 103.3 | A99 T103 | A99-Q101 PolarHBondContact O-N 3.24Å; Q101-T103 VanDerWaalsContact C-N 3.26Å; Q101-T103 PolarHBondContact O-N 2.9Å | ||
| 102 | K | 49.4 | Very low | 63.6 | Low | 195 Ų | 195 | 118.6 Ų | 118.6 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | trans | -49.4 | 101.7 | 163.7 | -71.4 | 174.3 | 176.4 | 177.7 | 0 | 105.9 | V100 S104 | V100-K102 PolarHBondContact O-N 3.02Å; K102-S104 VanDerWaalsContact C-N 3.3Å; K102-S104 PolarHBondContact O-N 3.48Å | ||
| 103 | T | 53.6 | Low | 65.7 | Low | 95 Ų | 95 | 122 Ų | 122 | 58% | 0.583 | 66% | 0.655 | S | S | * | * | trans | -73.2 | 99.5 | 171.6 | 58.3 | 0 | 0 | 0 | 0 | 104.3 | Q101 D105 | Q101-T103 VanDerWaalsContact C-N 3.26Å; Q101-T103 PolarHBondContact O-N 2.9Å; T103-D105 VanDerWaalsContact CB-OD1 3.22Å; T103-D105 WeakPolarHBondContact CB-OD1 3.44Å; T103-D105 PolarHBondContact O-N 3.27Å; T103-D105 PolarHBondContact OG1-OD1 3.33Å | ||
| 104 | S | 71.3 | Confident | 67.6 | Low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | -70.9 | 76 | 167.9 | -64.3 | 0 | 0 | 0 | 0 | 106.6 | K102 L106 | K102-S104 VanDerWaalsContact C-N 3.3Å; K102-S104 PolarHBondContact O-N 3.48Å; S104-L106 PolarHBondContact O-N 2.64Å | ||
| 105 | D | 83.6 | Confident | 69.8 | Low | 130 Ų | 130 | 121.2 Ų | 121.2 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | trans | -64 | 121.5 | 175.1 | -67.7 | 0.9 | 0 | 0 | 0 | 107.5 | T103 | T103-D105 VanDerWaalsContact CB-OD1 3.22Å; T103-D105 WeakPolarHBondContact CB-OD1 3.44Å; T103-D105 PolarHBondContact O-N 3.27Å; T103-D105 PolarHBondContact OG1-OD1 3.33Å | ||
| 106 | L | 86.3 | Confident | 72 | Confident | 100 Ų | 100 | 114.1 Ų | 114.1 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | trans | -99.9 | 142.5 | 176.9 | -64.2 | 175.1 | 0 | 0 | 0 | 108.7 | S104 F149 | S104-L106 PolarHBondContact O-N 2.64Å; L106-F149 WeakPolarHBondContact O-CA 3.29Å | ||
| 107 | I | 90.6 | Very high | 74.2 | Confident | 100 Ų | 100 | 112.6 Ų | 112.6 | 51% | 0.513 | 59% | 0.585 | S | S | . | * | trans | -109.9 | 127.4 | 167.7 | -172.5 | 171 | 0 | 0 | 0 | 108.6 | L109 F149 | I107-L109 HydrophobicContact CD1-CD2 3.89Å; I107-L109 HydrophobicContact CG1-CD2 4Å; I107-L109 HydrophobicContact CG1-CG 4.41Å; I107-F149 HydrophobicContact CB-CD1 4.35Å; I107-F149 HydrophobicContact CB-CE1 4.18Å; I107-F149 HydrophobicContact CD1-CE1 3.95Å; I107-F149 HydrophobicContact CD1-CZ 4.04Å; I107-F149 HydrophobicContact CG1-CD1 4.43Å; I107-F149 HydrophobicContact CG1-CE1 4.03Å; I107-F149 HydrophobicContact CG1-CZ 4.39Å | ||
| 108 | V | 90.8 | Very high | 76.5 | Confident | 30 Ų | 30 | 108.2 Ų | 108.2 | 18% | 0.182 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.2 | 179.4 | -166.4 | 0 | 0 | 0 | 0 | 108.4 | L111 F124 F147 G148 | V108-L111 HydrophobicContact CB-CD1 4.48Å; V108-L111 HydrophobicContact CB-CD2 4.38Å; V108-L111 HydrophobicContact CB-CG 4.49Å; V108-L111 HydrophobicContact CG1-CD2 3.6Å; V108-L111 HydrophobicContact CG1-CG 4.11Å; V108-F124 HydrophobicContact CG2-CE2 3.86Å; V108-F124 HydrophobicContact CG2-CZ 3.84Å; V108-F147 CarbonylContact O-C 3.59Å; V108-F147 WeakPolarHBondContact O-CA 3.44Å; V108-F147 WeakPolarHBondContact O-CB 3.39Å; V108-G148 PolarHBondContact N-O 2.77Å; V108-G148 PolarHBondContact O-N 2.82Å |
| 109 | L | 92.8 | Very high | 78.8 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 154.2 | -179.7 | -59.7 | 177.8 | 0 | 0 | 0 | 110.6 | I107 F147 | I107-L109 HydrophobicContact CD1-CD2 3.89Å; I107-L109 HydrophobicContact CG1-CD2 4Å; I107-L109 HydrophobicContact CG1-CG 4.41Å; L109-F147 HydrophobicContact CD2-CB 3.8Å; L109-F147 HydrophobicContact CD2-CG 4.46Å |
| 110 | G | 91.3 | Very high | 81.2 | Confident | 71 Ų | 71 | 97.9 Ų | 97.9 | 73% | 0.732 | 52% | 0.519 | S | S | * | . | S | Bend | trans | 76.2 | 26.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G146 | G110-G146 PolarHBondContact N-O 2.8Š|
| 111 | L | 90.4 | Very high | 83.4 | Confident | 19 Ų | 19 | 95.5 Ų | 95.5 | 10% | 0.099 | 50% | 0.497 | C | S | . | . | trans | -66.9 | 135.7 | 176.4 | -65.9 | 177.9 | 0 | 0 | 0 | 110.9 | V108 T115 L120 G146 | V108-L111 HydrophobicContact CB-CD1 4.48Å; V108-L111 HydrophobicContact CB-CD2 4.38Å; V108-L111 HydrophobicContact CB-CG 4.49Å; V108-L111 HydrophobicContact CG1-CD2 3.6Å; V108-L111 HydrophobicContact CG1-CG 4.11Å; L111-T115 HydrophobicContact CD2-CG2 4.34Å; L111-L120 HydrophobicContact CD1-CD1 3.79Å; L111-L120 HydrophobicContact CD1-CD2 4.16Å; L111-L120 HydrophobicContact CD1-CG 4.43Å; L111-L120 HydrophobicContact CD2-CD2 3.79Å; L111-G146 PolarHBondContact N-O 2.9Å; L111-G146 WeakPolarHBondContact O-CA 3.44Å | ||
| 112 | P | 90.2 | Very high | 85.5 | Confident | 68 Ų | 68 | 93.4 Ų | 93.4 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | trans | -52.2 | 144.1 | 166 | -24.8 | 32.6 | 0 | 0 | 0 | 111.3 | K114 T115 | P112-K114 HydrophobicContact CB-CG 4.14Å; P112-K114 PolarHBondContact O-N 2.76Å; P112-K114 VanDerWaalsContact O-N 3.09Å; P112-T115 WeakPolarHBondContact CD-OG1 3.28Å; P112-T115 VanDerWaalsContact O-CB 3.27Å; P112-T115 WeakPolarHBondContact O-CB 3.42Å; P112-T115 PolarHBondContact O-N 2.79Å; P112-T115 PolarHBondContact O-OG1 2.73Å | ||
| 113 | W | 86.8 | Confident | 87.5 | Confident | 195 Ų | 195 | 91 Ų | 91 | 74% | 0.739 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.3 | -173.2 | -66 | 35.5 | 0 | 0 | 0 | 112.9 | S144 | W113-S144 WeakPolarHBondContact O-CB 3.38Š|
| 114 | K | 89.2 | Confident | 89.3 | Confident | 183 Ų | 183 | 89.2 Ų | 89.2 | 80% | 0.796 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10 | 175.5 | 64.5 | 176.7 | -177.6 | 176.1 | 0 | 114 | P112 T116 | P112-K114 HydrophobicContact CB-CG 4.14Å; P112-K114 PolarHBondContact O-N 2.76Å; P112-K114 VanDerWaalsContact O-N 3.09Å; K114-T116 PolarHBondContact O-N 2.94Å |
| 115 | T | 89.3 | Confident | 90.3 | Very high | 23 Ų | 23 | 87 Ų | 87 | 14% | 0.141 | 45% | 0.446 | C | S | . | . | trans | -67.3 | 128.9 | -177.5 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | L111 P112 D119 L120 | L111-T115 HydrophobicContact CD2-CG2 4.34Å; P112-T115 WeakPolarHBondContact CD-OG1 3.28Å; P112-T115 VanDerWaalsContact O-CB 3.27Å; P112-T115 WeakPolarHBondContact O-CB 3.42Å; P112-T115 PolarHBondContact O-N 2.79Å; P112-T115 PolarHBondContact O-OG1 2.73Å; T115-D119 HydrophobicContact CG2-CB 4.23Å; T115-L120 HydrophobicContact CG2-CD2 4.17Å; T115-L120 HydrophobicContact CG2-CG 3.96Å | ||
| 116 | T | 90.1 | Very high | 90.7 | Very high | 60 Ų | 60 | 85.9 Ų | 85.9 | 37% | 0.368 | 44% | 0.444 | S | S | . | . | trans | -100 | 165.9 | 178.6 | 68.3 | 0 | 0 | 0 | 0 | 111.5 | K114 Q118 D119 L120 | K114-T116 PolarHBondContact O-N 2.94Å; T116-Q118 PolarHBondContact O-N 2.81Å; T116-D119 WeakPolarHBondContact CB-OD2 3.35Å; T116-D119 PolarHBondContact N-OD2 2.95Å; T116-D119 PolarHBondContact O-N 2.85Å; T116-D119 PolarHBondContact OG1-N 2.73Å; T116-D119 PolarHBondContact OG1-OD2 2.92Å; T116-L120 PolarHBondContact O-N 2.98Å | ||
| 117 | E | 90.6 | Very high | 90.8 | Very high | 80 Ų | 80 | 88.4 Ų | 88.4 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.3 | -31.7 | 174.6 | -68.4 | 164.9 | 167.2 | 0 | 0 | 111.6 | L120 K121 V133 V135 | E117-L120 PolarHBondContact O-N 3.06Å; E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 PolarHBondContact O-N 3.3Å; E117-V133 HydrophobicContact CB-CB 4.5Å; E117-V133 HydrophobicContact CB-CG1 4.05Å; E117-V133 HydrophobicContact CG-CG1 4.27Å; E117-V135 HydrophobicContact CG-CB 3.91Å; E117-V135 HydrophobicContact CG-CG2 3.67Å; E117-V135 PolarHBondContact OE1-N 3.43Å; E117-V135 VanDerWaalsContact OE1-N 3.1Å |
| 118 | Q | 90.7 | Very high | 90.6 | Very high | 107 Ų | 107 | 85.6 Ų | 85.6 | 50% | 0.5 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 176.4 | -170.2 | 60.8 | 40.2 | 0 | 0 | 111.1 | T116 L120 K121 D122 | T116-Q118 PolarHBondContact O-N 2.81Å; Q118-L120 VanDerWaalsContact C-N 3.28Å; Q118-L120 PolarHBondContact O-N 3.11Å; Q118-K121 PolarHBondContact O-N 2.75Å; Q118-K121 VanDerWaalsContact O-N 3.15Å; Q118-D122 VanDerWaalsContact NE2-CG 3.3Å; Q118-D122 PolarHBondContact NE2-OD1 3.36Å; Q118-D122 PolarHBondContact NE2-OD2 3.29Å; Q118-D122 VanDerWaalsContact NE2-OD2 3.09Å; Q118-D122 WeakPolarHBondContact O-CB 3.38Å; Q118-D122 VanDerWaalsContact O-CG 3.27Å; Q118-D122 PolarHBondContact O-N 3.03Å |
| 119 | D | 91.1 | Very high | 90.4 | Very high | 82 Ų | 82 | 92.6 Ų | 92.6 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 178 | -57.2 | -44.8 | 0 | 0 | 0 | 111.8 | T115 T116 Y123 | T115-D119 HydrophobicContact CG2-CB 4.23Å; T116-D119 WeakPolarHBondContact CB-OD2 3.35Å; T116-D119 PolarHBondContact N-OD2 2.95Å; T116-D119 PolarHBondContact O-N 2.85Å; T116-D119 PolarHBondContact OG1-N 2.73Å; T116-D119 PolarHBondContact OG1-OD2 2.92Å; D119-Y123 WeakPolarHBondContact O-CB 3.46Å; D119-Y123 PolarHBondContact O-N 2.95Å; D119-Y123 VanDerWaalsContact O-N 3.09Å |
| 120 | L | 91.8 | Very high | 90.1 | Very high | 12 Ų | 12 | 88.1 Ų | 88.1 | 6% | 0.063 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 176.2 | -75.5 | -178.5 | 0 | 0 | 0 | 111.5 | L111 T115 T116 E117 Q118 D122 Y123 F124 V133 V135 | L111-L120 HydrophobicContact CD1-CD1 3.79Å; L111-L120 HydrophobicContact CD1-CD2 4.16Å; L111-L120 HydrophobicContact CD1-CG 4.43Å; L111-L120 HydrophobicContact CD2-CD2 3.79Å; T115-L120 HydrophobicContact CG2-CD2 4.17Å; T115-L120 HydrophobicContact CG2-CG 3.96Å; T116-L120 PolarHBondContact O-N 2.98Å; E117-L120 PolarHBondContact O-N 3.06Å; Q118-L120 VanDerWaalsContact C-N 3.28Å; Q118-L120 PolarHBondContact O-N 3.11Å; L120-D122 PolarHBondContact O-N 3.25Å; L120-Y123 PolarHBondContact O-N 2.84Å; L120-F124 HydrophobicContact CD2-CE2 4.09Å; L120-F124 VanDerWaalsContact O-CD2 3.27Å; L120-F124 WeakPolarHBondContact O-CD2 3.44Å; L120-F124 PolarHBondContact O-N 2.81Å; L120-V133 HydrophobicContact CB-CG1 3.6Å; L120-V133 HydrophobicContact CD1-CG1 3.7Å; L120-V133 HydrophobicContact CG-CG1 4.32Å; L120-V135 HydrophobicContact CD1-CG2 3.63Å |
| 121 | K | 91.8 | Very high | 89.9 | Confident | 94 Ų | 94 | 90.3 Ų | 90.3 | 41% | 0.409 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 179.3 | -171 | 175.8 | -178 | 179.1 | 0 | 111 | E117 Q118 Y123 F124 S125 V130 V133 | E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 PolarHBondContact O-N 3.3Å; Q118-K121 PolarHBondContact O-N 2.75Å; Q118-K121 VanDerWaalsContact O-N 3.15Å; K121-Y123 VanDerWaalsContact C-N 3.35Å; K121-Y123 PolarHBondContact O-N 2.81Å; K121-F124 PolarHBondContact O-N 3.28Å; K121-S125 WeakPolarHBondContact O-CB 3.09Å; K121-S125 PolarHBondContact O-N 3.19Å; K121-S125 PolarHBondContact O-OG 3Å; K121-V130 HydrophobicContact CG-CB 4.3Å; K121-V130 HydrophobicContact CG-CG1 4.19Å; K121-V133 HydrophobicContact CB-CG2 3.88Å; K121-V133 HydrophobicContact CG-CG2 4.33Å |
| 122 | D | 93.8 | Very high | 89.6 | Confident | 89 Ų | 89 | 95.7 Ų | 95.7 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | -178.8 | -67.3 | -23 | 0 | 0 | 0 | 111.3 | Q118 L120 | Q118-D122 VanDerWaalsContact NE2-CG 3.3Å; Q118-D122 PolarHBondContact NE2-OD1 3.36Å; Q118-D122 PolarHBondContact NE2-OD2 3.29Å; Q118-D122 VanDerWaalsContact NE2-OD2 3.09Å; Q118-D122 WeakPolarHBondContact O-CB 3.38Å; Q118-D122 VanDerWaalsContact O-CG 3.27Å; Q118-D122 PolarHBondContact O-N 3.03Å; L120-D122 PolarHBondContact O-N 3.25Å |
| 123 | Y | 92.2 | Very high | 89.6 | Confident | 145 Ų | 145 | 93.6 Ų | 93.6 | 57% | 0.569 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.8 | -52.4 | 175.8 | -176.9 | -96 | 0 | 0 | 0 | 112.4 | D119 L120 K121 S125 T126 F127 | D119-Y123 WeakPolarHBondContact O-CB 3.46Å; D119-Y123 PolarHBondContact O-N 2.95Å; D119-Y123 VanDerWaalsContact O-N 3.09Å; L120-Y123 PolarHBondContact O-N 2.84Å; K121-Y123 VanDerWaalsContact C-N 3.35Å; K121-Y123 PolarHBondContact O-N 2.81Å; Y123-S125 VanDerWaalsContact C-N 3.31Å; Y123-S125 PolarHBondContact O-N 3.2Å; Y123-T126 PolarHBondContact O-N 3.33Å; Y123-T126 PolarHBondContact O-OG1 3.17Å; Y123-F127 HydrophobicContact CD1-CE2 4.25Å; Y123-F127 AromaticContact CE1-CE2 3.73Å; Y123-F127 HydrophobicContact CE1-CE2 3.73Å; Y123-F127 AromaticContact CZ-CE2 3.93Å |
| 124 | F | 91.2 | Very high | 89.7 | Confident | 58 Ų | 58 | 87.7 Ų | 87.7 | 25% | 0.254 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.5 | -21.9 | -176.2 | -77 | -71.9 | 0 | 0 | 0 | 113.6 | V108 L120 K121 T126 F127 G128 V130 | V108-F124 HydrophobicContact CG2-CE2 3.86Å; V108-F124 HydrophobicContact CG2-CZ 3.84Å; L120-F124 HydrophobicContact CD2-CE2 4.09Å; L120-F124 VanDerWaalsContact O-CD2 3.27Å; L120-F124 WeakPolarHBondContact O-CD2 3.44Å; L120-F124 PolarHBondContact O-N 2.81Å; K121-F124 PolarHBondContact O-N 3.28Å; F124-T126 PolarHBondContact O-N 2.84Å; F124-T126 VanDerWaalsContact O-N 3.13Å; F124-F127 HydrophobicContact CD1-CD2 4.43Å; F124-F127 PolarHBondContact O-N 3.25Å; F124-G128 PolarHBondContact O-N 3.26Å; F124-V130 VanDerWaalsContact C-CG2 3.49Å; F124-V130 HydrophobicContact CB-CG2 3.63Å |
| 125 | S | 90.9 | Very high | 89.9 | Confident | 58 Ų | 58 | 79.2 Ų | 79.2 | 41% | 0.406 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.6 | 173.4 | -65.4 | 0 | 0 | 0 | 0 | 113 | K121 Y123 F127 G128 | K121-S125 WeakPolarHBondContact O-CB 3.09Å; K121-S125 PolarHBondContact O-N 3.19Å; K121-S125 PolarHBondContact O-OG 3Å; Y123-S125 VanDerWaalsContact C-N 3.31Å; Y123-S125 PolarHBondContact O-N 3.2Å; S125-F127 VanDerWaalsContact C-N 3.29Å; S125-G128 CarbonylContact C-O 3.57Å; S125-G128 VanDerWaalsContact CA-O 3.3Å; S125-G128 WeakPolarHBondContact CA-O 3.25Å |
| 126 | T | 93.4 | Very high | 89.9 | Confident | 105 Ų | 105 | 81.6 Ų | 81.6 | 64% | 0.644 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -20.8 | 173.9 | 66.6 | 0 | 0 | 0 | 0 | 113.5 | Y123 F124 | Y123-T126 PolarHBondContact O-N 3.33Å; Y123-T126 PolarHBondContact O-OG1 3.17Å; F124-T126 PolarHBondContact O-N 2.84Å; F124-T126 VanDerWaalsContact O-N 3.13Å |
| 127 | F | 88.3 | Confident | 90 | Very high | 153 Ų | 153 | 83.7 Ų | 83.7 | 67% | 0.671 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -13.3 | -178.3 | -59.5 | -80 | 0 | 0 | 0 | 113.2 | Y123 F124 S125 | Y123-F127 HydrophobicContact CD1-CE2 4.25Å; Y123-F127 AromaticContact CE1-CE2 3.73Å; Y123-F127 HydrophobicContact CE1-CE2 3.73Å; Y123-F127 AromaticContact CZ-CE2 3.93Å; F124-F127 HydrophobicContact CD1-CD2 4.43Å; F124-F127 PolarHBondContact O-N 3.25Å; S125-F127 VanDerWaalsContact C-N 3.29Å |
| 128 | G | 86.5 | Confident | 89.7 | Confident | 41 Ų | 41 | 82.6 Ų | 82.6 | 42% | 0.423 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 166 | 179.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F124 S125 V130 | F124-G128 PolarHBondContact O-N 3.26Å; S125-G128 CarbonylContact C-O 3.57Å; S125-G128 VanDerWaalsContact CA-O 3.3Å; S125-G128 WeakPolarHBondContact CA-O 3.25Å; G128-V130 PolarHBondContact O-N 3.43Å |
| 129 | E | 85.6 | Confident | 89.1 | Confident | 177 Ų | 177 | 85.8 Ų | 85.8 | 83% | 0.827 | 43% | 0.434 | S | S | * | . | trans | -68.9 | 122.7 | 176.1 | -173.5 | -178.3 | 178 | 0 | 0 | 110.9 | ||||
| 130 | V | 87.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 91.3 Ų | 91.3 | 18% | 0.182 | 45% | 0.454 | C | S | . | . | trans | -96.7 | 109 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | K121 F124 G128 V133 | K121-V130 HydrophobicContact CG-CB 4.3Å; K121-V130 HydrophobicContact CG-CG1 4.19Å; F124-V130 VanDerWaalsContact C-CG2 3.49Å; F124-V130 HydrophobicContact CB-CG2 3.63Å; G128-V130 PolarHBondContact O-N 3.43Å; V130-V133 HydrophobicContact CG1-CG2 3.39Å | ||
| 131 | L | 86.2 | Confident | 88.2 | Confident | 118 Ų | 118 | 94.7 Ų | 94.7 | 62% | 0.618 | 48% | 0.476 | S | S | * | . | trans | -74.5 | -42.3 | -179.1 | -64.7 | 176.8 | 0 | 0 | 0 | 112.9 | ||||
| 132 | M | 83.8 | Confident | 87.7 | Confident | 131 Ų | 131 | 92.4 Ų | 92.4 | 65% | 0.645 | 48% | 0.478 | S | S | * | . | trans | -150.9 | 146 | -176.1 | 177.9 | 173.2 | 172 | 0 | 0 | 109.6 | Q134 | M132-Q134 HydrophobicContact CE-CB 4.06Š| ||
| 133 | V | 90.3 | Very high | 87.3 | Confident | 24 Ų | 24 | 93.7 Ų | 93.7 | 15% | 0.145 | 48% | 0.482 | C | S | . | . | trans | -134.4 | 138.2 | 169.2 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | E117 L120 K121 V130 F149 | E117-V133 HydrophobicContact CB-CB 4.5Å; E117-V133 HydrophobicContact CB-CG1 4.05Å; E117-V133 HydrophobicContact CG-CG1 4.27Å; L120-V133 HydrophobicContact CB-CG1 3.6Å; L120-V133 HydrophobicContact CD1-CG1 3.7Å; L120-V133 HydrophobicContact CG-CG1 4.32Å; K121-V133 HydrophobicContact CB-CG2 3.88Å; K121-V133 HydrophobicContact CG-CG2 4.33Å; V130-V133 HydrophobicContact CG1-CG2 3.39Å; V133-F149 CarbonylContact C-O 3.46Å; V133-F149 VanDerWaalsContact CA-O 3.28Å; V133-F149 WeakPolarHBondContact CA-O 3.38Å | ||
| 134 | Q | 90 | Very high | 87.1 | Confident | 71 Ų | 71 | 87.3 Ų | 87.3 | 33% | 0.332 | 46% | 0.458 | S | S | . | . | trans | -141.2 | 117.6 | 174.2 | -174.3 | 175.3 | 57.1 | 0 | 0 | 111.6 | M132 G148 F149 | M132-Q134 HydrophobicContact CE-CB 4.06Å; Q134-G148 CarbonylContact O-C 3.46Å; Q134-G148 WeakPolarHBondContact O-CA 3.49Å; Q134-F149 PolarHBondContact N-O 3.28Å; Q134-F149 PolarHBondContact O-N 2.8Å | ||
| 135 | V | 91.7 | Very high | 86.9 | Confident | 5 Ų | 5 | 89.9 Ų | 89.9 | 3% | 0.03 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.2 | 171.3 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | E117 L120 K137 | E117-V135 HydrophobicContact CG-CB 3.91Å; E117-V135 HydrophobicContact CG-CG2 3.67Å; E117-V135 PolarHBondContact OE1-N 3.43Å; E117-V135 VanDerWaalsContact OE1-N 3.1Å; L120-V135 HydrophobicContact CD1-CG2 3.63Å; V135-K137 HydrophobicContact CG1-CG 4.42Å; V135-K137 PolarHBondContact O-N 3.14Å |
| 136 | K | 90.6 | Very high | 86.9 | Confident | 73 Ų | 73 | 87.6 Ų | 87.6 | 32% | 0.317 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 121.2 | 177.6 | -70.9 | -55.4 | -167 | -170.6 | 0 | 109.9 | K145 F147 F149 | K136-K145 WeakPolarHBondContact O-CB 3.44Å; K136-K145 PolarHBondContact O-N 3.13Å; K136-F147 HydrophobicContact CB-CD1 4.46Å; K136-F147 HydrophobicContact CB-CD2 4.17Å; K136-F147 HydrophobicContact CB-CE1 4.04Å; K136-F147 HydrophobicContact CB-CE2 3.73Å; K136-F147 HydrophobicContact CB-CZ 3.64Å; K136-F147 HydrophobicContact CG-CD2 4.01Å; K136-F147 HydrophobicContact CG-CE2 3.4Å; K136-F147 VanDerWaalsContact CG-CE2 3.4Å; K136-F147 HydrophobicContact CG-CZ 3.72Å; K136-F147 PolarHBondContact N-O 2.68Å; K136-F149 HydrophobicContact CD-CE2 4.45Å; K136-F149 HydrophobicContact CG-CD2 4.34Å; K136-F149 HydrophobicContact CG-CE2 3.98Å |
| 137 | K | 90.6 | Very high | 86.7 | Confident | 104 Ų | 104 | 85.5 Ų | 85.5 | 45% | 0.452 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 154.2 | 175.7 | -64.2 | 170.2 | -176.7 | 175.4 | 0 | 110 | V135 G142 H143 | V135-K137 HydrophobicContact CG1-CG 4.42Å; V135-K137 PolarHBondContact O-N 3.14Å; K137-G142 WeakPolarHBondContact CD-O 3.31Å; K137-H143 CarbonylContact C-O 3.59Å; K137-H143 WeakPolarHBondContact CA-O 3.44Å; K137-H143 WeakPolarHBondContact CB-O 3.48Å |
| 138 | D | 85.4 | Confident | 86.9 | Confident | 57 Ų | 57 | 78.2 Ų | 78.2 | 31% | 0.305 | 41% | 0.405 | S | S | . | . | trans | -70 | 131.7 | 169.3 | -163 | -61.4 | 0 | 0 | 0 | 109.9 | K140 T141 G142 H143 | D138-K140 PolarHBondContact O-N 2.8Å; D138-K140 WeakPolarHBondContact OD1-CB 3.4Å; D138-K140 PolarHBondContact OD1-N 2.83Å; D138-T141 WeakPolarHBondContact CB-OG1 2.98Å; D138-G142 VanDerWaalsContact O-CA 3.25Å; D138-G142 WeakPolarHBondContact O-CA 3.38Å; D138-G142 PolarHBondContact O-N 3.45Å; D138-H143 PolarHBondContact N-O 2.75Å | ||
| 139 | L | 78.3 | Confident | 87.1 | Confident | 174 Ų | 174 | 81 Ų | 81 | 91% | 0.911 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -25.6 | -178.1 | -75.7 | 91.2 | 0 | 0 | 0 | 112.8 | ||
| 140 | K | 79.6 | Confident | 87.2 | Confident | 198 Ų | 198 | 76.3 Ų | 76.3 | 86% | 0.861 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -36.5 | -177.4 | -64.5 | -176.7 | 179.5 | 179.7 | 0 | 112.2 | D138 | D138-K140 PolarHBondContact O-N 2.8Å; D138-K140 WeakPolarHBondContact OD1-CB 3.4Å; D138-K140 PolarHBondContact OD1-N 2.83Å |
| 141 | T | 84.6 | Confident | 87.1 | Confident | 84 Ų | 84 | 78.7 Ų | 78.7 | 52% | 0.515 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -14.1 | -171.9 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | D138 H143 | D138-T141 WeakPolarHBondContact CB-OG1 2.98Å; T141-H143 PolarHBondContact O-N 3.25Å; T141-H143 VanDerWaalsContact O-N 3.13Å; T141-H143 PolarHBondContact OG1-CD2 2.94Å; T141-H143 PolarHBondContact OG1-N 3.17Å |
| 142 | G | 81.5 | Confident | 87.2 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 46% | 0.464 | 38% | 0.383 | S | S | . | . | trans | 69.9 | -1.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K137 D138 | K137-G142 WeakPolarHBondContact CD-O 3.31Å; D138-G142 VanDerWaalsContact O-CA 3.25Å; D138-G142 WeakPolarHBondContact O-CA 3.38Å; D138-G142 PolarHBondContact O-N 3.45Å | ||
| 143 | H | 84.4 | Confident | 87.4 | Confident | 117 Ų | 117 | 73.3 Ų | 73.3 | 54% | 0.542 | 37% | 0.367 | S | S | . | . | trans | -74.4 | 144.3 | 180 | -70.1 | -66.2 | 0 | 0 | 0 | 111.7 | K137 D138 T141 | K137-H143 CarbonylContact C-O 3.59Å; K137-H143 WeakPolarHBondContact CA-O 3.44Å; K137-H143 WeakPolarHBondContact CB-O 3.48Å; D138-H143 PolarHBondContact N-O 2.75Å; T141-H143 PolarHBondContact O-N 3.25Å; T141-H143 VanDerWaalsContact O-N 3.13Å; T141-H143 PolarHBondContact OG1-CD2 2.94Å; T141-H143 PolarHBondContact OG1-N 3.17Å | ||
| 144 | S | 88.1 | Confident | 87.2 | Confident | 10 Ų | 10 | 76.4 Ų | 76.4 | 7% | 0.07 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 137.6 | 174.1 | -179.4 | 0 | 0 | 0 | 0 | 111 | W113 G146 | W113-S144 WeakPolarHBondContact O-CB 3.38Å; S144-G146 PolarHBondContact O-N 2.85Å; S144-G146 PolarHBondContact OG-N 2.84Å; S144-G146 VanDerWaalsContact OG-N 3.15Å |
| 145 | K | 87.8 | Confident | 87 | Confident | 112 Ų | 112 | 76.7 Ų | 76.7 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 4.3 | 171.9 | -65.6 | -168.5 | 171.4 | -172.3 | 0 | 112.7 | K136 F147 | K136-K145 WeakPolarHBondContact O-CB 3.44Å; K136-K145 PolarHBondContact O-N 3.13Å; K145-F147 VanDerWaalsContact C-N 3.34Å; K145-F147 HydrophobicContact CB-CD1 3.7Å; K145-F147 HydrophobicContact CB-CE1 3.47Å; K145-F147 VanDerWaalsContact CB-CE1 3.47Å; K145-F147 HydrophobicContact CD-CE1 4.03Å; K145-F147 HydrophobicContact CG-CE1 4.37Å |
| 146 | G | 89.5 | Confident | 86.7 | Confident | 10 Ų | 10 | 81.9 Ų | 81.9 | 10% | 0.103 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.6 | 21.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | G110 L111 S144 | G110-G146 PolarHBondContact N-O 2.8Å; L111-G146 PolarHBondContact N-O 2.9Å; L111-G146 WeakPolarHBondContact O-CA 3.44Å; S144-G146 PolarHBondContact O-N 2.85Å; S144-G146 PolarHBondContact OG-N 2.84Å; S144-G146 VanDerWaalsContact OG-N 3.15Å |
| 147 | F | 91.3 | Very high | 86.4 | Confident | 61 Ų | 61 | 82.5 Ų | 82.5 | 27% | 0.268 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 159.5 | 172.9 | 72.7 | -84.4 | 0 | 0 | 0 | 112.8 | V108 L109 K136 K145 F149 | V108-F147 CarbonylContact O-C 3.59Å; V108-F147 WeakPolarHBondContact O-CA 3.44Å; V108-F147 WeakPolarHBondContact O-CB 3.39Å; L109-F147 HydrophobicContact CD2-CB 3.8Å; L109-F147 HydrophobicContact CD2-CG 4.46Å; K136-F147 HydrophobicContact CB-CD1 4.46Å; K136-F147 HydrophobicContact CB-CD2 4.17Å; K136-F147 HydrophobicContact CB-CE1 4.04Å; K136-F147 HydrophobicContact CB-CE2 3.73Å; K136-F147 HydrophobicContact CB-CZ 3.64Å; K136-F147 HydrophobicContact CG-CD2 4.01Å; K136-F147 HydrophobicContact CG-CE2 3.4Å; K136-F147 VanDerWaalsContact CG-CE2 3.4Å; K136-F147 HydrophobicContact CG-CZ 3.72Å; K136-F147 PolarHBondContact N-O 2.68Å; K145-F147 VanDerWaalsContact C-N 3.34Å; K145-F147 HydrophobicContact CB-CD1 3.7Å; K145-F147 HydrophobicContact CB-CE1 3.47Å; K145-F147 VanDerWaalsContact CB-CE1 3.47Å; K145-F147 HydrophobicContact CD-CE1 4.03Å; K145-F147 HydrophobicContact CG-CE1 4.37Å; F147-F149 HydrophobicContact CD2-CE2 4.23Å; F147-F149 AromaticContact CE2-CE2 3.96Å; F147-F149 HydrophobicContact CE2-CE2 3.96Å; F147-F149 HydrophobicContact CE2-CZ 4.35Å |
| 148 | G | 91.9 | Very high | 86 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 175.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V108 Q134 | V108-G148 PolarHBondContact N-O 2.77Å; V108-G148 PolarHBondContact O-N 2.82Å; Q134-G148 CarbonylContact O-C 3.46Å; Q134-G148 WeakPolarHBondContact O-CA 3.49Å |
| 149 | F | 89.8 | Confident | 86.1 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 44% | 0.443 | 42% | 0.424 | S | S | . | . | trans | -122.9 | 0 | 177.4 | -60 | -88.9 | 0 | 0 | 0 | 109.9 | L106 I107 V133 Q134 K136 F147 | L106-F149 WeakPolarHBondContact O-CA 3.29Å; I107-F149 HydrophobicContact CB-CD1 4.35Å; I107-F149 HydrophobicContact CB-CE1 4.18Å; I107-F149 HydrophobicContact CD1-CE1 3.95Å; I107-F149 HydrophobicContact CD1-CZ 4.04Å; I107-F149 HydrophobicContact CG1-CD1 4.43Å; I107-F149 HydrophobicContact CG1-CE1 4.03Å; I107-F149 HydrophobicContact CG1-CZ 4.39Å; V133-F149 CarbonylContact C-O 3.46Å; V133-F149 VanDerWaalsContact CA-O 3.28Å; V133-F149 WeakPolarHBondContact CA-O 3.38Å; Q134-F149 PolarHBondContact N-O 3.28Å; Q134-F149 PolarHBondContact O-N 2.8Å; K136-F149 HydrophobicContact CD-CE2 4.45Å; K136-F149 HydrophobicContact CG-CD2 4.34Å; K136-F149 HydrophobicContact CG-CE2 3.98Å; F147-F149 HydrophobicContact CD2-CE2 4.23Å; F147-F149 AromaticContact CE2-CE2 3.96Å; F147-F149 HydrophobicContact CE2-CE2 3.96Å; F147-F149 HydrophobicContact CE2-CZ 4.35Å |
Retrieved 149 of 149 residues in 92.5 ms
(Link to these results)