| 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 | 55.8 | Low | 77 | Confident | 181 Ų | 181 | 96.3 Ų | 96.3 | 89% | 0.892 | 45% | 0.454 | S | S | * | . | 0 | -51 | 0 | -67 | -69 | -136 | 0 | 0 | 112.9 | Q3 K4 H5 | M1-Q3 PolarHBondContact O-N 3.15Å; M1-K4 PolarHBondContact O-N 3.34Å; M1-H5 PolarHBondContact O-CD2 3.43Å | |||
| 2 | R | 64.6 | Low | 77.5 | Confident | 229 Ų | 229 | 97 Ų | 97 | 86% | 0.864 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.2 | -37.6 | -173.4 | -163 | 178.9 | -72.2 | 176.4 | -2.8 | 115.5 | K4 Y6 | R2-K4 VanDerWaalsContact C-N 3.34Å; R2-K4 PolarHBondContact O-N 3.26Å; R2-Y6 PolarHBondContact O-N 2.94Å |
| 3 | Q | 69.8 | Low | 78.2 | Confident | 150 Ų | 150 | 94.2 Ų | 94.2 | 70% | 0.701 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.9 | -28.8 | -179.2 | -167.2 | 175.4 | 2.6 | 0 | 0 | 113.3 | M1 Y6 L7 | M1-Q3 PolarHBondContact O-N 3.15Å; Q3-Y6 PolarHBondContact O-N 3.03Å; Q3-L7 PolarHBondContact O-N 3.49Å |
| 4 | K | 70.5 | Confident | 78.8 | Confident | 53 Ų | 53 | 91.1 Ų | 91.1 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.7 | -54.2 | 179.7 | -61.9 | -160.2 | -166.5 | -158.5 | 0 | 111 | M1 R2 Y6 L7 E8 Y29 H33 D35 | M1-K4 PolarHBondContact O-N 3.34Å; R2-K4 VanDerWaalsContact C-N 3.34Å; R2-K4 PolarHBondContact O-N 3.26Å; K4-Y6 PolarHBondContact O-N 2.88Å; K4-L7 PolarHBondContact O-N 3.34Å; K4-E8 PolarHBondContact O-N 2.93Å; K4-Y29 HydrophobicContact CB-CE2 3.95Å; K4-H33 VanDerWaalsContact CE-CD2 3.45Å; K4-H33 WeakPolarHBondContact CE-CD2 3.33Å; K4-H33 WeakPolarHBondContact CE-NE2 3.23Å; K4-H33 PolarHBondContact NZ-CD2 3.4Å; K4-H33 PolarHBondContact NZ-NE2 3.2Å; K4-D35 IonicContact NZ-OD2 2.79Å |
| 5 | H | 75.1 | Confident | 78.9 | Confident | 119 Ų | 119 | 86.5 Ų | 86.5 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.3 | -27.3 | 178.9 | -61.3 | -58.2 | 0 | 0 | 0 | 112.8 | M1 A9 | M1-H5 PolarHBondContact O-CD2 3.43Å; H5-A9 VanDerWaalsContact O-CB 3.24Å; H5-A9 WeakPolarHBondContact O-CB 3.41Å; H5-A9 PolarHBondContact O-N 3.05Å |
| 6 | Y | 84.9 | Confident | 78.8 | Confident | 165 Ų | 165 | 90.3 Ų | 90.3 | 65% | 0.647 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.1 | -48.3 | 176.7 | -179.1 | -96.2 | 0 | 0 | 0 | 112.3 | R2 Q3 K4 E8 A9 A10 | R2-Y6 PolarHBondContact O-N 2.94Å; Q3-Y6 PolarHBondContact O-N 3.03Å; K4-Y6 PolarHBondContact O-N 2.88Å; Y6-E8 VanDerWaalsContact C-N 3.3Å; Y6-E8 PolarHBondContact O-N 3.44Å; Y6-A9 PolarHBondContact O-N 3.34Å; Y6-A10 WeakPolarHBondContact O-CB 3.35Å; Y6-A10 PolarHBondContact O-N 3.29Å |
| 7 | L | 85 | Confident | 79.1 | Confident | 33 Ų | 33 | 90.2 Ų | 90.2 | 17% | 0.173 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 178 | -69.4 | 174.5 | 0 | 0 | 0 | 111.7 | Q3 K4 A11 L25 | Q3-L7 PolarHBondContact O-N 3.49Å; K4-L7 PolarHBondContact O-N 3.34Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 3.34Å; L7-L25 HydrophobicContact CD2-CD2 3.91Å |
| 8 | E | 81.4 | Confident | 79.4 | Confident | 36 Ų | 36 | 87.5 Ų | 87.5 | 17% | 0.168 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.7 | -51.5 | 174.6 | -176.5 | -173.8 | 169.2 | 0 | 0 | 112 | K4 Y6 A10 A11 R12 F39 | K4-E8 PolarHBondContact O-N 2.93Å; Y6-E8 VanDerWaalsContact C-N 3.3Å; Y6-E8 PolarHBondContact O-N 3.44Å; E8-A10 VanDerWaalsContact C-N 3.3Å; E8-A10 PolarHBondContact O-N 3.47Å; E8-A11 PolarHBondContact O-N 2.92Å; E8-R12 PolarHBondContact O-N 3.19Å; E8-R12 IonicContact OE1-CZ 3.91Å; E8-R12 IonicContact OE1-NE 2.75Å; E8-R12 PolarHBondContact OE1-NE 3.44Å; E8-R12 IonicContact OE1-NH2 3.23Å; E8-R12 PolarHBondContact OE1-NH2 3.39Å; E8-F39 VanDerWaalsContact CD-CZ 3.43Å; E8-F39 HydrophobicContact CG-CE2 3.67Å; E8-F39 HydrophobicContact CG-CZ 3.51Å; E8-F39 WeakPolarHBondContact OE1-CE2 3.49Å; E8-F39 WeakPolarHBondContact OE1-CZ 3.45Å |
| 9 | A | 85.3 | Confident | 79.4 | Confident | 62 Ų | 62 | 85.7 Ų | 85.7 | 51% | 0.512 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H5 Y6 R12 G13 | H5-A9 VanDerWaalsContact O-CB 3.24Å; H5-A9 WeakPolarHBondContact O-CB 3.41Å; H5-A9 PolarHBondContact O-N 3.05Å; Y6-A9 PolarHBondContact O-N 3.34Å; A9-R12 PolarHBondContact O-N 3.26Å; A9-G13 PolarHBondContact O-N 2.99Å |
| 10 | A | 88 | Confident | 79.5 | Confident | 29 Ų | 29 | 83.4 Ų | 83.4 | 24% | 0.24 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y6 E8 R12 G13 L14 L25 | Y6-A10 WeakPolarHBondContact O-CB 3.35Å; Y6-A10 PolarHBondContact O-N 3.29Å; E8-A10 VanDerWaalsContact C-N 3.3Å; E8-A10 PolarHBondContact O-N 3.47Å; A10-R12 PolarHBondContact O-N 3.11Å; A10-G13 PolarHBondContact O-N 3.39Å; A10-L14 WeakPolarHBondContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CG 3.37Å; A10-L14 PolarHBondContact O-N 2.95Å; A10-L25 HydrophobicContact CB-CD1 3.97Å |
| 11 | A | 86.3 | Confident | 79.8 | Confident | 2 Ų | 2 | 84.5 Ų | 84.5 | 2% | 0.017 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 E8 L14 H15 A22 L25 L26 | L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 3.34Å; E8-A11 PolarHBondContact O-N 2.92Å; A11-L14 PolarHBondContact O-N 3.5Å; A11-H15 PolarHBondContact O-N 3.1Å; A11-H15 VanDerWaalsContact O-N 3.11Å; A11-A22 WeakPolarHBondContact O-CB 3.46Å; A11-L25 HydrophobicContact CB-CB 4.06Å; A11-L26 HydrophobicContact CB-CD1 4.23Å; A11-L26 HydrophobicContact CB-CD2 4.15Å; A11-L26 HydrophobicContact CB-CG 3.75Å |
| 12 | R | 83.8 | Confident | 81.3 | Confident | 105 Ų | 105 | 76.1 Ų | 76.1 | 40% | 0.396 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.7 | -69 | -177.4 | -170.8 | -107.1 | -0.4 | 111.6 | E8 A9 A10 L14 H15 E41 L49 | E8-R12 PolarHBondContact O-N 3.19Å; E8-R12 IonicContact OE1-CZ 3.91Å; E8-R12 IonicContact OE1-NE 2.75Å; E8-R12 PolarHBondContact OE1-NE 3.44Å; E8-R12 IonicContact OE1-NH2 3.23Å; E8-R12 PolarHBondContact OE1-NH2 3.39Å; A9-R12 PolarHBondContact O-N 3.26Å; A10-R12 PolarHBondContact O-N 3.11Å; R12-L14 VanDerWaalsContact C-N 3.31Å; R12-L14 PolarHBondContact O-N 2.87Å; R12-H15 WeakPolarHBondContact O-CB 3.22Å; R12-H15 PolarHBondContact O-N 2.63Å; R12-E41 IonicContact CZ-OE2 2.9Å; R12-E41 VanDerWaalsContact CZ-OE2 3.23Å; R12-E41 IonicContact NH1-OE2 2.82Å; R12-E41 PolarHBondContact NH1-OE2 2.81Å; R12-E41 IonicContact NH2-OE2 3.44Å; R12-E41 PolarHBondContact NH2-OE2 2.87Å; R12-L49 HydrophobicContact CG-CD2 4.39Å |
| 13 | G | 86.4 | Confident | 82.3 | Confident | 61 Ų | 61 | 70 Ų | 70 | 63% | 0.629 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.2 | -27.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A9 A10 | A9-G13 PolarHBondContact O-N 2.99Å; A10-G13 PolarHBondContact O-N 3.39Å |
| 14 | L | 86.4 | Confident | 83.1 | Confident | 50 Ų | 50 | 70 Ų | 70 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -92.5 | -4.9 | 178.4 | -68.6 | 172.9 | 0 | 0 | 0 | 113.8 | A10 A11 R12 D16 S17 C18 Q21 A22 L25 | A10-L14 WeakPolarHBondContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CG 3.37Å; A10-L14 PolarHBondContact O-N 2.95Å; A11-L14 PolarHBondContact O-N 3.5Å; R12-L14 VanDerWaalsContact C-N 3.31Å; R12-L14 PolarHBondContact O-N 2.87Å; L14-D16 VanDerWaalsContact C-N 3.32Å; L14-D16 PolarHBondContact O-N 2.78Å; L14-S17 PolarHBondContact O-N 2.94Å; L14-C18 CarbonylContact O-C 3.12Å; L14-C18 WeakPolarHBondContact O-CA 3.34Å; L14-C18 PolarHBondContact O-N 3.36Å; L14-C18 VanDerWaalsContact O-O 3.13Å; L14-Q21 HydrophobicContact CD1-CB 4.17Å; L14-A22 HydrophobicContact CB-CB 4.23Å; L14-L25 HydrophobicContact CD1-CD1 3.79Å |
| 15 | H | 80.3 | Confident | 83.9 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 11% | 0.106 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -46.4 | -174.6 | 174.1 | -91.3 | 0 | 0 | 0 | 112.6 | A11 R12 Q48 L49 | A11-H15 PolarHBondContact O-N 3.1Å; A11-H15 VanDerWaalsContact O-N 3.11Å; R12-H15 WeakPolarHBondContact O-CB 3.22Å; R12-H15 PolarHBondContact O-N 2.63Å; H15-Q48 PolarHBondContact NE2-NE2 2.75Å; H15-L49 HydrophobicContact CB-CD2 4.44Å; H15-L49 VanDerWaalsContact CD2-CB 3.5Å; H15-L49 WeakPolarHBondContact CD2-CB 3.42Å |
| 16 | D | 77.3 | Confident | 84.4 | Confident | 146 Ų | 146 | 63.7 Ų | 63.7 | 78% | 0.781 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -29.4 | -174.7 | -59.8 | -31.4 | 0 | 0 | 0 | 112.9 | L14 | L14-D16 VanDerWaalsContact C-N 3.32Å; L14-D16 PolarHBondContact O-N 2.78Å |
| 17 | S | 84.5 | Confident | 84.4 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 62% | 0.622 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -42.3 | -176.3 | 56.4 | 0 | 0 | 0 | 0 | 113 | L14 | L14-S17 PolarHBondContact O-N 2.94Š|
| 18 | C | 84.3 | Confident | 84.4 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 28% | 0.284 | 34% | 0.341 | S | S | . | . | trans | -143.4 | 81.6 | -178.9 | -164.4 | 0 | 0 | 0 | 0 | 111.4 | L14 G20 Q21 A22 | L14-C18 CarbonylContact O-C 3.12Å; L14-C18 WeakPolarHBondContact O-CA 3.34Å; L14-C18 PolarHBondContact O-N 3.36Å; L14-C18 VanDerWaalsContact O-O 3.13Å; C18-G20 PolarHBondContact O-N 3.04Å; C18-G20 VanDerWaalsContact O-N 3.12Å; C18-Q21 HydrophobicContact CB-CB 4.18Å; C18-Q21 HydrophobicContact CB-CG 4.41Å; C18-Q21 PolarHBondContact O-N 3.15Å; C18-Q21 VanDerWaalsContact O-N 3.12Å; C18-Q21 VanDerWaalsContact SG-CG 3.55Å; C18-A22 PolarHBondContact O-N 3.45Å; C18-A22 VanDerWaalsContact O-N 3.08Å | ||
| 19 | P | 79.4 | Confident | 84.3 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 34% | 0.344 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -25.5 | -176.4 | 23.8 | -34.4 | 0 | 0 | 0 | 113.1 | R23 | P19-R23 WeakPolarHBondContact O-CB 3.44Å; P19-R23 WeakPolarHBondContact O-CG 3.28Å; P19-R23 PolarHBondContact O-N 2.86Å |
| 20 | G | 81.1 | Confident | 83.9 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | C18 R23 Y24 | C18-G20 PolarHBondContact O-N 3.04Å; C18-G20 VanDerWaalsContact O-N 3.12Å; G20-R23 PolarHBondContact O-N 3.19Å; G20-Y24 PolarHBondContact O-N 2.93Å; G20-Y24 VanDerWaalsContact O-N 3.1Å |
| 21 | Q | 86.8 | Confident | 83.2 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 51% | 0.505 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 176.3 | -75.2 | 176.1 | -10 | 0 | 0 | 111.3 | L14 C18 R23 Y24 L25 | L14-Q21 HydrophobicContact CD1-CB 4.17Å; C18-Q21 HydrophobicContact CB-CB 4.18Å; C18-Q21 HydrophobicContact CB-CG 4.41Å; C18-Q21 PolarHBondContact O-N 3.15Å; C18-Q21 VanDerWaalsContact O-N 3.12Å; C18-Q21 VanDerWaalsContact SG-CG 3.55Å; Q21-R23 VanDerWaalsContact C-N 3.31Å; Q21-R23 PolarHBondContact O-N 2.84Å; Q21-Y24 PolarHBondContact O-N 3.42Å; Q21-L25 WeakPolarHBondContact O-CG 3.48Å; Q21-L25 PolarHBondContact O-N 2.98Å |
| 22 | A | 86.4 | Confident | 82.5 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.033 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.7 | -45 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A11 L14 C18 L25 L26 | A11-A22 WeakPolarHBondContact O-CB 3.46Å; L14-A22 HydrophobicContact CB-CB 4.23Å; C18-A22 PolarHBondContact O-N 3.45Å; C18-A22 VanDerWaalsContact O-N 3.08Å; A22-L25 PolarHBondContact O-N 3Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 3.43Å |
| 23 | R | 84.9 | Confident | 81.5 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 175.3 | -79.6 | -173.5 | -109.2 | 134.6 | -4.2 | 112.8 | P19 G20 Q21 L26 W27 C46 | P19-R23 WeakPolarHBondContact O-CB 3.44Å; P19-R23 WeakPolarHBondContact O-CG 3.28Å; P19-R23 PolarHBondContact O-N 2.86Å; G20-R23 PolarHBondContact O-N 3.19Å; Q21-R23 VanDerWaalsContact C-N 3.31Å; Q21-R23 PolarHBondContact O-N 2.84Å; R23-L26 PolarHBondContact O-N 3.14Å; R23-W27 WeakPolarHBondContact O-CB 3.33Å; R23-W27 PolarHBondContact O-N 3.38Å; R23-C46 WeakPolarHBondContact CD-O 3.11Å |
| 24 | Y | 87.3 | Confident | 80 | Confident | 151 Ų | 151 | 68.8 Ų | 68.8 | 59% | 0.592 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 178.7 | 178 | -101.3 | 0 | 0 | 0 | 112.1 | G20 Q21 W27 A28 | G20-Y24 PolarHBondContact O-N 2.93Å; G20-Y24 VanDerWaalsContact O-N 3.1Å; Q21-Y24 PolarHBondContact O-N 3.42Å; Y24-W27 HydrophobicContact CD2-CE3 4.23Å; Y24-W27 HydrophobicContact CE2-CE3 4.04Å; Y24-W27 HydrophobicContact CE2-CZ3 4.02Å; Y24-W27 PolarHBondContact O-N 3.03Å; Y24-A28 WeakPolarHBondContact O-CB 3.26Å; Y24-A28 PolarHBondContact O-N 3.05Å |
| 25 | L | 87.9 | Confident | 78.5 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 18% | 0.183 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 176.8 | -67.6 | 172.1 | 0 | 0 | 0 | 112 | L7 A10 A11 L14 Q21 A22 A28 Y29 | L7-L25 HydrophobicContact CD2-CD2 3.91Å; A10-L25 HydrophobicContact CB-CD1 3.97Å; A11-L25 HydrophobicContact CB-CB 4.06Å; L14-L25 HydrophobicContact CD1-CD1 3.79Å; Q21-L25 WeakPolarHBondContact O-CG 3.48Å; Q21-L25 PolarHBondContact O-N 2.98Å; A22-L25 PolarHBondContact O-N 3Å; L25-A28 PolarHBondContact O-N 3.17Å; L25-Y29 WeakPolarHBondContact O-CB 3.35Å; L25-Y29 PolarHBondContact O-N 3.4Å |
| 26 | L | 83.9 | Confident | 77.2 | Confident | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.021 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 175.4 | -75.8 | 166.4 | 0 | 0 | 0 | 112.7 | A11 A22 R23 Y29 T30 T42 F47 L49 | A11-L26 HydrophobicContact CB-CD1 4.23Å; A11-L26 HydrophobicContact CB-CD2 4.15Å; A11-L26 HydrophobicContact CB-CG 3.75Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 3.43Å; R23-L26 PolarHBondContact O-N 3.14Å; L26-Y29 PolarHBondContact O-N 2.99Å; L26-T30 PolarHBondContact O-N 3.33Å; L26-T30 PolarHBondContact O-OG1 2.81Å; L26-T42 HydrophobicContact CB-CG2 4.33Å; L26-T42 HydrophobicContact CD1-CG2 4.04Å; L26-T42 HydrophobicContact CD2-CG2 4.43Å; L26-T42 HydrophobicContact CG-CG2 4.5Å; L26-F47 HydrophobicContact CB-CB 4.07Å; L26-F47 WeakPolarHBondContact CD1-O 3.32Å; L26-L49 HydrophobicContact CD1-CD1 4.41Å |
| 27 | W | 84.9 | Confident | 75.9 | Confident | 121 Ų | 121 | 75.7 Ų | 75.7 | 46% | 0.458 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 171 | 173.2 | 78.8 | 0 | 0 | 0 | 111 | R23 Y24 Y29 T30 S31 F47 | R23-W27 WeakPolarHBondContact O-CB 3.33Å; R23-W27 PolarHBondContact O-N 3.38Å; Y24-W27 HydrophobicContact CD2-CE3 4.23Å; Y24-W27 HydrophobicContact CE2-CE3 4.04Å; Y24-W27 HydrophobicContact CE2-CZ3 4.02Å; Y24-W27 PolarHBondContact O-N 3.03Å; W27-Y29 VanDerWaalsContact C-N 3.28Å; W27-Y29 PolarHBondContact O-N 3.22Å; W27-T30 PolarHBondContact O-N 2.93Å; W27-S31 PolarHBondContact NE1-OG 3.36Å; W27-S31 WeakPolarHBondContact O-CB 3.44Å; W27-S31 PolarHBondContact O-N 3.36Å; W27-S31 PolarHBondContact O-OG 2.85Å; W27-F47 HydrophobicContact CB-CB 4.46Å; W27-F47 HydrophobicContact CB-CD1 4.17Å; W27-F47 HydrophobicContact CB-CD2 3.97Å; W27-F47 HydrophobicContact CB-CE1 4.46Å; W27-F47 HydrophobicContact CB-CE2 4.31Å; W27-F47 HydrophobicContact CB-CG 3.91Å; W27-F47 AromaticContact CD1-CD2 3.99Å; W27-F47 AromaticContact CD1-CE2 3.49Å; W27-F47 VanDerWaalsContact CD1-CE2 3.49Å; W27-F47 AromaticContact CD1-CZ 3.61Å; W27-F47 HydrophobicContact CG-CD2 4.39Å; W27-F47 HydrophobicContact CG-CE2 4.29Å; W27-F47 HydrophobicContact CG-CZ 4.47Å |
| 28 | A | 85.4 | Confident | 74.2 | Confident | 28 Ų | 28 | 76.7 Ų | 76.7 | 23% | 0.231 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.3 | -38.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y24 L25 S32 | Y24-A28 WeakPolarHBondContact O-CB 3.26Å; Y24-A28 PolarHBondContact O-N 3.05Å; L25-A28 PolarHBondContact O-N 3.17Å; A28-S32 WeakPolarHBondContact O-CB 3.25Å; A28-S32 PolarHBondContact O-N 2.66Å; A28-S32 PolarHBondContact O-OG 3.01Å |
| 29 | Y | 80.8 | Confident | 72.8 | Confident | 20 Ų | 20 | 76.5 Ų | 76.5 | 8% | 0.078 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 172.1 | 174.5 | -88.3 | 0 | 0 | 0 | 112 | K4 L25 L26 W27 S32 H33 F39 | K4-Y29 HydrophobicContact CB-CE2 3.95Å; L25-Y29 WeakPolarHBondContact O-CB 3.35Å; L25-Y29 PolarHBondContact O-N 3.4Å; L26-Y29 PolarHBondContact O-N 2.99Å; W27-Y29 VanDerWaalsContact C-N 3.28Å; W27-Y29 PolarHBondContact O-N 3.22Å; Y29-S32 PolarHBondContact O-OG 3.26Å; Y29-S32 VanDerWaalsContact O-OG 3.14Å; Y29-H33 PolarHBondContact O-ND1 2.98Å; Y29-F39 AromaticContact CE1-CD2 3.94Å; Y29-F39 HydrophobicContact CE1-CD2 3.94Å |
| 30 | T | 75.3 | Confident | 71.8 | Confident | 63 Ų | 63 | 80.7 Ų | 80.7 | 39% | 0.387 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -76 | -37.9 | -176.1 | -48.7 | 0 | 0 | 0 | 0 | 112.2 | L26 W27 S32 H33 F47 | L26-T30 PolarHBondContact O-N 3.33Å; L26-T30 PolarHBondContact O-OG1 2.81Å; W27-T30 PolarHBondContact O-N 2.93Å; T30-S32 VanDerWaalsContact C-N 3.33Å; T30-S32 PolarHBondContact O-N 3.25Å; T30-H33 PolarHBondContact O-N 3.46Å; T30-F47 HydrophobicContact CG2-CE1 4.12Å |
| 31 | S | 74.8 | Confident | 71.1 | Confident | 73 Ų | 73 | 83 Ų | 83 | 51% | 0.51 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.9 | -23.1 | -179 | -62 | 0 | 0 | 0 | 0 | 114 | W27 H33 | W27-S31 PolarHBondContact NE1-OG 3.36Å; W27-S31 WeakPolarHBondContact O-CB 3.44Å; W27-S31 PolarHBondContact O-N 3.36Å; W27-S31 PolarHBondContact O-OG 2.85Å; S31-H33 VanDerWaalsContact C-N 3.28Å |
| 32 | S | 70.8 | Confident | 70.4 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -0.9 | 178.4 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | A28 Y29 T30 | A28-S32 WeakPolarHBondContact O-CB 3.25Å; A28-S32 PolarHBondContact O-N 2.66Å; A28-S32 PolarHBondContact O-OG 3.01Å; Y29-S32 PolarHBondContact O-OG 3.26Å; Y29-S32 VanDerWaalsContact O-OG 3.14Å; T30-S32 VanDerWaalsContact C-N 3.33Å; T30-S32 PolarHBondContact O-N 3.25Å |
| 33 | H | 62.2 | Low | 69.6 | Low | 50 Ų | 50 | 78.9 Ų | 78.9 | 23% | 0.231 | 40% | 0.401 | C | S | . | . | trans | -138.2 | 120.5 | -172.5 | -61.4 | 94.5 | 0 | 0 | 0 | 112.8 | K4 Y29 T30 S31 D35 | K4-H33 VanDerWaalsContact CE-CD2 3.45Å; K4-H33 WeakPolarHBondContact CE-CD2 3.33Å; K4-H33 WeakPolarHBondContact CE-NE2 3.23Å; K4-H33 PolarHBondContact NZ-CD2 3.4Å; K4-H33 PolarHBondContact NZ-NE2 3.2Å; Y29-H33 PolarHBondContact O-ND1 2.98Å; T30-H33 PolarHBondContact O-N 3.46Å; S31-H33 VanDerWaalsContact C-N 3.28Å; H33-D35 VanDerWaalsContact C-N 3.25Å | ||
| 34 | D | 55.4 | Low | 68.8 | Low | 171 Ų | 171 | 78.7 Ų | 78.7 | 91% | 0.914 | 41% | 0.412 | S | S | * | . | trans | -77.9 | -8.7 | 170.9 | -81.8 | -39.5 | 0 | 0 | 0 | 113.5 | K36 | D34-K36 PolarHBondContact O-N 2.96Š| ||
| 35 | D | 55.2 | Low | 67.9 | Low | 110 Ų | 110 | 81.5 Ų | 81.5 | 59% | 0.588 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -66.2 | 130.9 | 175.6 | -68.2 | -36.2 | 0 | 0 | 0 | 108.4 | K4 H33 S37 | K4-D35 IonicContact NZ-OD2 2.79Å; H33-D35 VanDerWaalsContact C-N 3.25Å; D35-S37 PolarHBondContact O-N 3.2Å |
| 36 | K | 52 | Low | 67 | Low | 200 Ų | 200 | 81.7 Ų | 81.7 | 87% | 0.87 | 43% | 0.427 | S | S | * | . | trans | -63.1 | 41.4 | 167.7 | -64.2 | 171.5 | 177.9 | 170.7 | 0 | 111.6 | D34 T38 | D34-K36 PolarHBondContact O-N 2.96Å; K36-T38 VanDerWaalsContact C-N 3.28Å; K36-T38 PolarHBondContact O-N 3.04Å; K36-T38 PolarHBondContact O-OG1 2.87Å; K36-T38 VanDerWaalsContact O-OG1 3.06Å | ||
| 37 | S | 50 | Low | 66.5 | Low | 54 Ų | 54 | 83.5 Ų | 83.5 | 38% | 0.378 | 44% | 0.435 | S | S | . | . | trans | -62.8 | 100 | 172.8 | 79 | 0 | 0 | 0 | 0 | 105.5 | D35 F39 | D35-S37 PolarHBondContact O-N 3.2Å; S37-F39 PolarHBondContact O-N 3.23Å | ||
| 38 | T | 50.3 | Low | 66 | Low | 111 Ų | 111 | 78.8 Ų | 78.8 | 68% | 0.681 | 42% | 0.418 | S | S | * | . | trans | -75.5 | 83.4 | -173.2 | -7.4 | 0 | 0 | 0 | 0 | 103.4 | K36 E40 | K36-T38 VanDerWaalsContact C-N 3.28Å; K36-T38 PolarHBondContact O-N 3.04Å; K36-T38 PolarHBondContact O-OG1 2.87Å; K36-T38 VanDerWaalsContact O-OG1 3.06Å; T38-E40 HydrophobicContact CG2-CG 4.11Å; T38-E40 PolarHBondContact O-N 2.79Å | ||
| 39 | F | 54.5 | Low | 65.5 | Low | 38 Ų | 38 | 78.5 Ų | 78.5 | 17% | 0.167 | 41% | 0.412 | C | S | . | . | trans | -72.2 | 77.2 | 166.6 | -140.9 | -77.5 | 0 | 0 | 0 | 105.9 | E8 Y29 S37 E41 T42 L49 | E8-F39 VanDerWaalsContact CD-CZ 3.43Å; E8-F39 HydrophobicContact CG-CE2 3.67Å; E8-F39 HydrophobicContact CG-CZ 3.51Å; E8-F39 WeakPolarHBondContact OE1-CE2 3.49Å; E8-F39 WeakPolarHBondContact OE1-CZ 3.45Å; Y29-F39 AromaticContact CE1-CD2 3.94Å; Y29-F39 HydrophobicContact CE1-CD2 3.94Å; S37-F39 PolarHBondContact O-N 3.23Å; F39-E41 HydrophobicContact CD1-CB 4.06Å; F39-E41 HydrophobicContact CE1-CB 3.97Å; F39-E41 PolarHBondContact O-N 2.9Å; F39-E41 VanDerWaalsContact O-N 3.1Å; F39-T42 WeakPolarHBondContact CD1-OG1 3.29Å; F39-T42 WeakPolarHBondContact CE1-OG1 3.3Å; F39-T42 PolarHBondContact O-N 3.06Å; F39-L49 HydrophobicContact CE1-CD1 4.13Å | ||
| 40 | E | 58.3 | Low | 64.8 | Low | 141 Ų | 141 | 78.2 Ų | 78.2 | 66% | 0.659 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.6 | -177 | -64 | -170.6 | 160.7 | 0 | 0 | 111.1 | T38 | T38-E40 HydrophobicContact CG2-CG 4.11Å; T38-E40 PolarHBondContact O-N 2.79Å |
| 41 | E | 66.9 | Low | 64.3 | Low | 88 Ų | 88 | 77.7 Ų | 77.7 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 7.9 | 175.8 | -60 | -179.4 | 175.8 | 0 | 0 | 113.7 | R12 F39 L49 L50 | R12-E41 IonicContact CZ-OE2 2.9Å; R12-E41 VanDerWaalsContact CZ-OE2 3.23Å; R12-E41 IonicContact NH1-OE2 2.82Å; R12-E41 PolarHBondContact NH1-OE2 2.81Å; R12-E41 IonicContact NH2-OE2 3.44Å; R12-E41 PolarHBondContact NH2-OE2 2.87Å; F39-E41 HydrophobicContact CD1-CB 4.06Å; F39-E41 HydrophobicContact CE1-CB 3.97Å; F39-E41 PolarHBondContact O-N 2.9Å; F39-E41 VanDerWaalsContact O-N 3.1Å; E41-L49 CarbonylContact O-C 3.52Å; E41-L49 WeakPolarHBondContact O-CA 3.35Å; E41-L50 WeakPolarHBondContact O-CB 3.25Å; E41-L50 PolarHBondContact O-N 2.82Å |
| 42 | T | 72.1 | Confident | 63.4 | Low | 13 Ų | 13 | 81.4 Ų | 81.4 | 8% | 0.08 | 42% | 0.422 | C | S | . | . | B | Isolated β-bridge | trans | -133 | 138.8 | 177 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | L26 F39 F47 Q48 | L26-T42 HydrophobicContact CB-CG2 4.33Å; L26-T42 HydrophobicContact CD1-CG2 4.04Å; L26-T42 HydrophobicContact CD2-CG2 4.43Å; L26-T42 HydrophobicContact CG-CG2 4.5Å; F39-T42 WeakPolarHBondContact CD1-OG1 3.29Å; F39-T42 WeakPolarHBondContact CE1-OG1 3.3Å; F39-T42 PolarHBondContact O-N 3.06Å; T42-F47 HydrophobicContact CG2-CB 4.39Å; T42-Q48 WeakPolarHBondContact CA-O 3.4Å |
| 43 | C | 69.6 | Low | 62.6 | Low | 12 Ų | 12 | 85 Ų | 85 | 8% | 0.081 | 44% | 0.436 | C | S | . | . | trans | -69.7 | 127.9 | 175.8 | 155.9 | 0 | 0 | 0 | 0 | 112.7 | Y45 C46 F47 Q48 I104 | C43-Y45 PolarHBondContact O-N 3.38Å; C43-Y45 PolarHBondContact SG-N 2.85Å; C43-C46 HydrophobicContact CB-CB 4.46Å; C43-C46 WeakPolarHBondContact CB-SG 3.45Å; C43-C46 WeakPolarHBondContact SG-CB 3.26Å; C43-C46 PolarHBondContact SG-N 3.33Å; C43-C46 CovalentContact SG-SG 2.08Å; C43-C46 PolarHBondContact SG-SG 3.37Å; C43-F47 VanDerWaalsContact O-CA 3.25Å; C43-F47 WeakPolarHBondContact O-CA 3.31Å; C43-F47 PolarHBondContact O-N 3.24Å; C43-Q48 PolarHBondContact N-O 3.46Å; C43-I104 HydrophobicContact CB-CD1 3.04Å; C43-I104 HydrophobicContact CB-CG1 4.24Å; C43-I104 VanDerWaalsContact SG-CD1 3.54Å | ||
| 44 | P | 67.4 | Low | 62.2 | Low | 95 Ų | 95 | 87.1 Ų | 87.1 | 62% | 0.617 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18 | -177 | 27.4 | -34.7 | 0 | 0 | 0 | 113.8 | ||
| 45 | Y | 67.3 | Low | 62.2 | Low | 211 Ų | 211 | 79.5 Ų | 79.5 | 83% | 0.827 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -32.3 | -177.8 | -60.1 | -71.3 | 0 | 0 | 0 | 113.4 | C43 | C43-Y45 PolarHBondContact O-N 3.38Å; C43-Y45 PolarHBondContact SG-N 2.85Å |
| 46 | C | 70.5 | Confident | 62.1 | Low | 39 Ų | 39 | 81.9 Ų | 81.9 | 26% | 0.264 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | -5.5 | -163.6 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | R23 C43 Q48 I104 | R23-C46 WeakPolarHBondContact CD-O 3.11Å; C43-C46 HydrophobicContact CB-CB 4.46Å; C43-C46 WeakPolarHBondContact CB-SG 3.45Å; C43-C46 WeakPolarHBondContact SG-CB 3.26Å; C43-C46 PolarHBondContact SG-N 3.33Å; C43-C46 CovalentContact SG-SG 2.08Å; C43-C46 PolarHBondContact SG-SG 3.37Å; C46-Q48 PolarHBondContact O-N 3.41Å; C46-I104 WeakPolarHBondContact SG-CD1 3.48Å |
| 47 | F | 72.8 | Confident | 62.1 | Low | 41 Ų | 41 | 75.3 Ų | 75.3 | 18% | 0.18 | 39% | 0.386 | C | S | . | . | trans | 54.3 | 21.1 | 177.2 | -54.6 | -80.6 | 0 | 0 | 0 | 114 | L26 W27 T30 T42 C43 | L26-F47 HydrophobicContact CB-CB 4.07Å; L26-F47 WeakPolarHBondContact CD1-O 3.32Å; W27-F47 HydrophobicContact CB-CB 4.46Å; W27-F47 HydrophobicContact CB-CD1 4.17Å; W27-F47 HydrophobicContact CB-CD2 3.97Å; W27-F47 HydrophobicContact CB-CE1 4.46Å; W27-F47 HydrophobicContact CB-CE2 4.31Å; W27-F47 HydrophobicContact CB-CG 3.91Å; W27-F47 AromaticContact CD1-CD2 3.99Å; W27-F47 AromaticContact CD1-CE2 3.49Å; W27-F47 VanDerWaalsContact CD1-CE2 3.49Å; W27-F47 AromaticContact CD1-CZ 3.61Å; W27-F47 HydrophobicContact CG-CD2 4.39Å; W27-F47 HydrophobicContact CG-CE2 4.29Å; W27-F47 HydrophobicContact CG-CZ 4.47Å; T30-F47 HydrophobicContact CG2-CE1 4.12Å; T42-F47 HydrophobicContact CG2-CB 4.39Å; C43-F47 VanDerWaalsContact O-CA 3.25Å; C43-F47 WeakPolarHBondContact O-CA 3.31Å; C43-F47 PolarHBondContact O-N 3.24Å | ||
| 48 | Q | 74.6 | Confident | 62.1 | Low | 22 Ų | 22 | 81 Ų | 81 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | trans | -79.9 | 136.7 | 175.2 | -175.9 | 70.2 | 36.3 | 0 | 0 | 109.2 | H15 T42 C43 C46 L50 I104 | H15-Q48 PolarHBondContact NE2-NE2 2.75Å; T42-Q48 WeakPolarHBondContact CA-O 3.4Å; C43-Q48 PolarHBondContact N-O 3.46Å; C46-Q48 PolarHBondContact O-N 3.41Å; Q48-L50 PolarHBondContact O-N 2.65Å; Q48-I104 HydrophobicContact CB-CD1 3.82Å; Q48-I104 HydrophobicContact CG-CD1 4.33Å | ||
| 49 | L | 73.9 | Confident | 62.1 | Low | 22 Ų | 22 | 80.7 Ų | 80.7 | 12% | 0.115 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -66.2 | 124.7 | 173.3 | -158.9 | 74.9 | 0 | 0 | 0 | 109.8 | R12 H15 L26 F39 E41 V51 | R12-L49 HydrophobicContact CG-CD2 4.39Å; H15-L49 HydrophobicContact CB-CD2 4.44Å; H15-L49 VanDerWaalsContact CD2-CB 3.5Å; H15-L49 WeakPolarHBondContact CD2-CB 3.42Å; L26-L49 HydrophobicContact CD1-CD1 4.41Å; F39-L49 HydrophobicContact CE1-CD1 4.13Å; E41-L49 CarbonylContact O-C 3.52Å; E41-L49 WeakPolarHBondContact O-CA 3.35Å; L49-V51 HydrophobicContact CD2-CG2 4.02Å; L49-V51 HydrophobicContact CG-CG2 4.37Å; L49-V51 PolarHBondContact O-N 3.35Å |
| 50 | L | 67.4 | Low | 62.1 | Low | 15 Ų | 15 | 84.8 Ų | 84.8 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | trans | -85.6 | 78.2 | 175.5 | -63.8 | 164.8 | 0 | 0 | 0 | 108.3 | E41 Q48 T102 I104 | E41-L50 WeakPolarHBondContact O-CB 3.25Å; E41-L50 PolarHBondContact O-N 2.82Å; Q48-L50 PolarHBondContact O-N 2.65Å; L50-T102 HydrophobicContact CD1-CG2 3.75Å; L50-T102 HydrophobicContact CD2-CG2 3.85Å; L50-T102 HydrophobicContact CG-CG2 4.26Å; L50-I104 HydrophobicContact CD2-CD1 3.69Å; L50-I104 HydrophobicContact CD2-CG1 3.23Å; L50-I104 HydrophobicContact CG-CG1 4.46Å | ||
| 51 | V | 64.3 | Low | 62.1 | Low | 52 Ų | 52 | 83.6 Ų | 83.6 | 32% | 0.315 | 42% | 0.415 | S | S | . | . | trans | -69.5 | 135.9 | 167.9 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | L49 D53 N54 S55 | L49-V51 HydrophobicContact CD2-CG2 4.02Å; L49-V51 HydrophobicContact CG-CG2 4.37Å; L49-V51 PolarHBondContact O-N 3.35Å; V51-D53 PolarHBondContact O-N 3.44Å; V51-N54 PolarHBondContact O-N 3.38Å; V51-S55 PolarHBondContact O-N 3.13Å; V51-S55 PolarHBondContact O-OG 3.39Å | ||
| 52 | L | 55.7 | Low | 62.2 | Low | 151 Ų | 151 | 84 Ų | 84 | 79% | 0.791 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -30.8 | -174.8 | -114.7 | 103.7 | 0 | 0 | 0 | 113.3 | ||
| 53 | D | 54.4 | Low | 62.2 | Low | 149 Ų | 149 | 85.9 Ų | 85.9 | 80% | 0.797 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -16.3 | -177 | -63.6 | -37 | 0 | 0 | 0 | 114.4 | V51 | V51-D53 PolarHBondContact O-N 3.44Š|
| 54 | N | 54.4 | Low | 62.5 | Low | 94 Ų | 94 | 96 Ų | 96 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 0.4 | -177 | -71.2 | -33.2 | 0 | 0 | 0 | 113.7 | V51 | V51-N54 PolarHBondContact O-N 3.38Š|
| 55 | S | 54.7 | Low | 63.3 | Low | 12 Ų | 12 | 95.9 Ų | 95.9 | 8% | 0.084 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122.6 | -178.9 | 62 | 0 | 0 | 0 | 0 | 110.1 | V51 V57 | V51-S55 PolarHBondContact O-N 3.13Å; V51-S55 PolarHBondContact O-OG 3.39Å; S55-V57 PolarHBondContact O-N 3.02Å |
| 56 | R | 52.4 | Low | 64.3 | Low | 160 Ų | 160 | 88.7 Ų | 88.7 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 108.4 | 179.9 | -163.3 | -176.2 | -179.7 | -171.7 | 5.6 | 107.3 | Y103 | R56-Y103 HydrophobicContact CB-CD2 4.19Å; R56-Y103 HydrophobicContact CB-CE2 3.41Å; R56-Y103 VanDerWaalsContact CB-CE2 3.41Å; R56-Y103 WeakPolarHBondContact CD-OH 3.45Å; R56-Y103 HydrophobicContact CG-CE2 3.87Å; R56-Y103 WeakPolarHBondContact CG-OH 3.06Å; R56-Y103 WeakPolarHBondContact O-CD1 3.45Å; R56-Y103 WeakPolarHBondContact O-CE1 3.18Å |
| 57 | V | 51.6 | Low | 65.3 | Low | 62 Ų | 62 | 91.5 Ų | 91.5 | 38% | 0.376 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 116 | -178.9 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | S55 L59 L100 T102 | S55-V57 PolarHBondContact O-N 3.02Å; V57-L59 HydrophobicContact CG1-CD2 4.34Å; V57-L59 HydrophobicContact CG1-CG 4.44Å; V57-L100 HydrophobicContact CB-CD2 4.22Å; V57-L100 HydrophobicContact CG1-CD1 3.97Å; V57-L100 HydrophobicContact CG1-CD2 3.4Å; V57-L100 VanDerWaalsContact CG1-CD2 3.4Å; V57-L100 HydrophobicContact CG1-CG 3.41Å; V57-L100 VanDerWaalsContact CG1-CG 3.41Å; V57-L100 HydrophobicContact CG2-CD2 3.9Å; V57-T102 HydrophobicContact CG2-CG2 4.11Å |
| 58 | R | 49.9 | Very low | 66.2 | Low | 174 Ų | 174 | 95.7 Ų | 95.7 | 66% | 0.657 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109 | 166 | -172.9 | 168.3 | -174.9 | 157.9 | 0.7 | 108.9 | K60 N101 Y103 | R58-K60 PolarHBondContact O-N 3.14Å; R58-N101 HydrophobicContact CB-CB 4.48Å; R58-N101 PolarHBondContact N-O 3.22Å; R58-N101 VanDerWaalsContact N-O 3.14Å; R58-N101 WeakPolarHBondContact O-CB 3.42Å; R58-N101 PolarHBondContact O-N 2.96Å; R58-Y103 HydrophobicContact CB-CE1 3.61Å |
| 59 | L | 50.3 | Low | 67 | Low | 104 Ų | 104 | 95.5 Ų | 95.5 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 114.3 | 169.1 | -65.7 | 173.9 | 0 | 0 | 0 | 108.1 | V57 P61 L100 | V57-L59 HydrophobicContact CG1-CD2 4.34Å; V57-L59 HydrophobicContact CG1-CG 4.44Å; L59-P61 WeakPolarHBondContact O-CD 3.45Å; L59-L100 HydrophobicContact CD2-CD1 4.07Å; L59-L100 HydrophobicContact CD2-CG 4.1Å |
| 60 | K | 55.9 | Low | 67.8 | Low | 123 Ų | 123 | 99 Ų | 99 | 54% | 0.535 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 124 | 158.1 | -87.5 | -165.2 | 175.3 | -178.4 | 0 | 106.8 | R58 K62 S98 V99 | R58-K60 PolarHBondContact O-N 3.14Å; K60-K62 PolarHBondContact O-N 3.03Å; K60-S98 VanDerWaalsContact O-CA 3.25Å; K60-S98 WeakPolarHBondContact O-CA 3.34Å; K60-S98 WeakPolarHBondContact O-CB 3.18Å; K60-V99 PolarHBondContact N-O 3.23Å |
| 61 | P | 57.5 | Low | 69.1 | Low | 117 Ų | 117 | 105.6 Ų | 105.6 | 76% | 0.76 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 132.5 | 176.2 | -20 | 30.1 | 0 | 0 | 0 | 108.5 | L59 | L59-P61 WeakPolarHBondContact O-CD 3.45Š|
| 62 | K | 69.9 | Low | 70.5 | Confident | 96 Ų | 96 | 103.5 Ų | 103.5 | 42% | 0.417 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 146.3 | 166.5 | -179.6 | 168.2 | 177.3 | 168.4 | 0 | 108.5 | K60 R64 S96 | K60-K62 PolarHBondContact O-N 3.03Å; K62-R64 PolarHBondContact O-N 3.47Å; K62-S96 WeakPolarHBondContact CD-O 3.45Å; K62-S96 WeakPolarHBondContact CE-O 3.41Å; K62-S96 WeakPolarHBondContact CG-O 3.32Å |
| 63 | A | 71.8 | Confident | 72.2 | Confident | 53 Ų | 53 | 98.2 Ų | 98.2 | 44% | 0.438 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 131.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L65 F93 | A63-L65 PolarHBondContact O-N 2.99Å; A63-F93 HydrophobicContact CB-CD2 4.24Å; A63-F93 VanDerWaalsContact O-CE2 3.26Å; A63-F93 WeakPolarHBondContact O-CE2 3.25Å |
| 64 | R | 76.3 | Confident | 74 | Confident | 223 Ų | 223 | 95.1 Ų | 95.1 | 84% | 0.842 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 137.2 | -176.9 | -70.6 | -174.3 | 174.6 | -173.7 | -1.2 | 109.8 | K62 T66 | K62-R64 PolarHBondContact O-N 3.47Å; R64-T66 PolarHBondContact O-N 3.37Å |
| 65 | L | 82.8 | Confident | 75.8 | Confident | 94 Ų | 94 | 97.2 Ų | 97.2 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | trans | -67 | 101.1 | 173 | -178.1 | 66.7 | 0 | 0 | 0 | 108.4 | A63 I69 Q70 L73 F93 | A63-L65 PolarHBondContact O-N 2.99Å; L65-I69 HydrophobicContact CD1-CB 4.31Å; L65-I69 HydrophobicContact CD1-CG2 3.84Å; L65-Q70 HydrophobicContact CD1-CB 4.18Å; L65-Q70 HydrophobicContact CD2-CB 4.48Å; L65-Q70 HydrophobicContact CD2-CG 4.44Å; L65-Q70 HydrophobicContact CG-CB 4.29Å; L65-L73 HydrophobicContact CD1-CD1 3.93Å; L65-F93 HydrophobicContact CB-CE2 4.41Å; L65-F93 HydrophobicContact CB-CZ 4.12Å; L65-F93 HydrophobicContact CD1-CE1 3.98Å; L65-F93 HydrophobicContact CD1-CE2 4.24Å; L65-F93 HydrophobicContact CD1-CZ 3.57Å; L65-F93 HydrophobicContact CG-CZ 4.46Å | ||
| 66 | T | 88.4 | Confident | 77.5 | Confident | 60 Ų | 60 | 99.9 Ų | 99.9 | 37% | 0.368 | 48% | 0.475 | S | S | . | . | trans | -83 | 153.3 | 175.2 | 61 | 0 | 0 | 0 | 0 | 110.2 | R64 K68 I69 Q70 | R64-T66 PolarHBondContact O-N 3.37Å; T66-K68 PolarHBondContact O-N 3Å; T66-K68 VanDerWaalsContact O-N 3.1Å; T66-I69 PolarHBondContact O-N 3.33Å; T66-I69 WeakPolarHBondContact OG1-CD1 3.08Å; T66-I69 VanDerWaalsContact OG1-CG1 3.32Å; T66-I69 WeakPolarHBondContact OG1-CG1 3.48Å; T66-I69 PolarHBondContact OG1-N 2.96Å; T66-Q70 PolarHBondContact O-N 3.1Å | ||
| 67 | P | 92.3 | Very high | 79.3 | Confident | 97 Ų | 97 | 96 Ų | 96 | 63% | 0.63 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -55.3 | -32.1 | 177.7 | -27 | 34.5 | 0 | 0 | 0 | 113.3 | Q70 K71 | P67-Q70 PolarHBondContact O-N 3.38Å; P67-K71 WeakPolarHBondContact O-CG 3.38Å; P67-K71 PolarHBondContact O-N 3.5Å |
| 68 | K | 91.5 | Very high | 81.3 | Confident | 129 Ų | 129 | 101.9 Ų | 101.9 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -47.4 | 175.4 | -173.2 | 172.8 | -177.4 | 172.1 | 0 | 111.8 | T66 Q70 K71 L72 M89 | T66-K68 PolarHBondContact O-N 3Å; T66-K68 VanDerWaalsContact O-N 3.1Å; K68-Q70 VanDerWaalsContact C-N 3.34Å; K68-K71 PolarHBondContact O-N 3.4Å; K68-L72 WeakPolarHBondContact O-CG 3.24Å; K68-L72 PolarHBondContact O-N 2.95Å; K68-L72 VanDerWaalsContact O-N 3.11Å; K68-M89 HydrophobicContact CD-SD 4.31Å; K68-M89 HydrophobicContact CG-SD 4.49Å |
| 69 | I | 90.6 | Very high | 83.2 | Confident | 18 Ų | 18 | 100.7 Ų | 100.7 | 9% | 0.092 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.1 | -67.6 | 171 | 0 | 0 | 0 | 110.2 | L65 T66 K71 L72 L73 M89 F93 | L65-I69 HydrophobicContact CD1-CB 4.31Å; L65-I69 HydrophobicContact CD1-CG2 3.84Å; T66-I69 PolarHBondContact O-N 3.33Å; T66-I69 WeakPolarHBondContact OG1-CD1 3.08Å; T66-I69 VanDerWaalsContact OG1-CG1 3.32Å; T66-I69 WeakPolarHBondContact OG1-CG1 3.48Å; T66-I69 PolarHBondContact OG1-N 2.96Å; I69-K71 PolarHBondContact O-N 2.94Å; I69-L72 PolarHBondContact O-N 3.19Å; I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.22Å; I69-L73 WeakPolarHBondContact O-CG 3.39Å; I69-L73 PolarHBondContact O-N 2.71Å; I69-M89 HydrophobicContact CG1-CG 4.5Å; I69-M89 HydrophobicContact CG1-SD 4.4Å; I69-F93 HydrophobicContact CD1-CB 4.22Å; I69-F93 HydrophobicContact CD1-CD2 3.68Å; I69-F93 HydrophobicContact CD1-CE2 4.32Å; I69-F93 HydrophobicContact CD1-CG 4.12Å; I69-F93 HydrophobicContact CG2-CB 4.08Å; I69-F93 HydrophobicContact CG2-CD1 3.6Å; I69-F93 HydrophobicContact CG2-CD2 3.87Å; I69-F93 HydrophobicContact CG2-CE1 3.93Å; I69-F93 HydrophobicContact CG2-CE2 4.15Å; I69-F93 HydrophobicContact CG2-CG 3.57Å; I69-F93 HydrophobicContact CG2-CZ 4.19Å |
| 70 | Q | 91.5 | Very high | 85.1 | Confident | 97 Ų | 97 | 102.7 Ų | 102.7 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 177.2 | -168.6 | 177.6 | 11.9 | 0 | 0 | 112.1 | L65 T66 P67 K68 L72 L73 N74 | L65-Q70 HydrophobicContact CD1-CB 4.18Å; L65-Q70 HydrophobicContact CD2-CB 4.48Å; L65-Q70 HydrophobicContact CD2-CG 4.44Å; L65-Q70 HydrophobicContact CG-CB 4.29Å; T66-Q70 PolarHBondContact O-N 3.1Å; P67-Q70 PolarHBondContact O-N 3.38Å; K68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-L72 PolarHBondContact O-N 2.96Å; Q70-L73 PolarHBondContact O-N 2.98Å; Q70-N74 WeakPolarHBondContact O-CB 3.45Å; Q70-N74 PolarHBondContact O-N 2.77Å; Q70-N74 PolarHBondContact O-ND2 3.04Å |
| 71 | K | 94.2 | Very high | 86.7 | Confident | 152 Ų | 152 | 103.8 Ų | 103.8 | 66% | 0.661 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -41.5 | 174.3 | -77.5 | -178.6 | -179.9 | -177 | 0 | 112.6 | P67 K68 I69 N74 R75 | P67-K71 WeakPolarHBondContact O-CG 3.38Å; P67-K71 PolarHBondContact O-N 3.5Å; K68-K71 PolarHBondContact O-N 3.4Å; I69-K71 PolarHBondContact O-N 2.94Å; K71-N74 PolarHBondContact O-N 3.02Å; K71-R75 PolarHBondContact O-N 3.36Å |
| 72 | L | 94.1 | Very high | 88.3 | Confident | 8 Ų | 8 | 99.8 Ų | 99.8 | 4% | 0.042 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 178.4 | -66.8 | 176.8 | 0 | 0 | 0 | 112.1 | K68 I69 Q70 N74 R75 E76 L82 E86 M89 V90 | K68-L72 WeakPolarHBondContact O-CG 3.24Å; K68-L72 PolarHBondContact O-N 2.95Å; K68-L72 VanDerWaalsContact O-N 3.11Å; I69-L72 PolarHBondContact O-N 3.19Å; Q70-L72 PolarHBondContact O-N 2.96Å; L72-N74 VanDerWaalsContact C-N 3.35Å; L72-R75 PolarHBondContact O-N 2.82Å; L72-E76 WeakPolarHBondContact O-CB 3.13Å; L72-E76 PolarHBondContact O-N 3.44Å; L72-L82 HydrophobicContact CD2-CD2 4.01Å; L72-E86 HydrophobicContact CD1-CB 4.06Å; L72-E86 HydrophobicContact CD1-CG 4.16Å; L72-E86 HydrophobicContact CD2-CB 3.94Å; L72-E86 HydrophobicContact CD2-CG 3.78Å; L72-M89 HydrophobicContact CD1-SD 4.04Å; L72-V90 HydrophobicContact CB-CG2 3.54Å; L72-V90 HydrophobicContact CD1-CG2 4.12Å; L72-V90 HydrophobicContact CG-CG2 4.46Å |
| 73 | L | 90.9 | Very high | 89.4 | Confident | 40 Ų | 40 | 98 Ų | 98 | 21% | 0.209 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 173.6 | -71.7 | 169.5 | 0 | 0 | 0 | 111.6 | L65 I69 Q70 R75 E76 A77 V90 F93 | L65-L73 HydrophobicContact CD1-CD1 3.93Å; I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.22Å; I69-L73 WeakPolarHBondContact O-CG 3.39Å; I69-L73 PolarHBondContact O-N 2.71Å; Q70-L73 PolarHBondContact O-N 2.98Å; L73-R75 VanDerWaalsContact C-N 3.31Å; L73-R75 PolarHBondContact O-N 3.45Å; L73-E76 PolarHBondContact O-N 3.17Å; L73-A77 WeakPolarHBondContact O-CB 3.08Å; L73-A77 PolarHBondContact O-N 3.29Å; L73-V90 HydrophobicContact CD2-CG1 3.77Å; L73-F93 HydrophobicContact CD1-CD1 4.16Å; L73-F93 HydrophobicContact CD1-CE1 3.86Å |
| 74 | N | 92.4 | Very high | 90.4 | Very high | 85 Ų | 85 | 103.6 Ų | 103.6 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -33.6 | 176.8 | -70.2 | -15.2 | 0 | 0 | 0 | 112.5 | Q70 K71 L72 R78 | Q70-N74 WeakPolarHBondContact O-CB 3.45Å; Q70-N74 PolarHBondContact O-N 2.77Å; Q70-N74 PolarHBondContact O-ND2 3.04Å; K71-N74 PolarHBondContact O-N 3.02Å; L72-N74 VanDerWaalsContact C-N 3.35Å; N74-R78 WeakPolarHBondContact O-CG 3.39Å; N74-R78 PolarHBondContact O-N 3Å |
| 75 | R | 92.6 | Very high | 91.2 | Very high | 137 Ų | 137 | 101.3 Ų | 101.3 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.3 | -45.1 | 173.2 | -84.8 | -178.5 | 166.1 | -177.5 | -5.3 | 111.8 | K71 L72 L73 A77 R78 N79 Y80 L82 | K71-R75 PolarHBondContact O-N 3.36Å; L72-R75 PolarHBondContact O-N 2.82Å; L73-R75 VanDerWaalsContact C-N 3.31Å; L73-R75 PolarHBondContact O-N 3.45Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.28Å; R75-R78 CarbonylContact O-C 3.53Å; R75-R78 PolarHBondContact O-N 3.29Å; R75-R78 VanDerWaalsContact O-N 3.15Å; R75-N79 PolarHBondContact O-N 3.14Å; R75-Y80 PolarHBondContact O-N 2.73Å; R75-L82 HydrophobicContact CB-CD2 4.13Å |
| 76 | E | 90.9 | Very high | 91.6 | Very high | 69 Ų | 69 | 99.3 Ų | 99.3 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 176.4 | -166.2 | -172.8 | -160 | 0 | 0 | 111.4 | L72 L73 R78 N79 L82 V90 K94 | L72-E76 WeakPolarHBondContact O-CB 3.13Å; L72-E76 PolarHBondContact O-N 3.44Å; L73-E76 PolarHBondContact O-N 3.17Å; E76-R78 PolarHBondContact O-N 3.36Å; E76-N79 WeakPolarHBondContact O-CA 2.98Å; E76-N79 PolarHBondContact O-N 3.01Å; E76-L82 HydrophobicContact CB-CD1 4.17Å; E76-L82 HydrophobicContact CG-CD1 4.4Å; E76-V90 WeakPolarHBondContact OE2-CG1 3.02Å; E76-K94 IonicContact OE1-NZ 2.63Å; E76-K94 PolarHBondContact OE1-NZ 3.23Å; E76-K94 WeakPolarHBondContact OE2-CE 3.49Å; E76-K94 IonicContact OE2-NZ 3.23Å; E76-K94 PolarHBondContact OE2-NZ 3.46Å |
| 77 | A | 90.7 | Very high | 91.8 | Very high | 79 Ų | 79 | 98.5 Ų | 98.5 | 65% | 0.653 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.7 | -23.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L73 R75 N79 | L73-A77 WeakPolarHBondContact O-CB 3.08Å; L73-A77 PolarHBondContact O-N 3.29Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.28Å; A77-N79 VanDerWaalsContact C-N 3.31Å |
| 78 | R | 93.8 | Very high | 91.8 | Very high | 185 Ų | 185 | 99.5 Ų | 99.5 | 70% | 0.698 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 10.3 | 172.9 | -67.2 | 176.4 | -168.8 | -149 | 1.4 | 112.5 | N74 R75 E76 Y80 | N74-R78 WeakPolarHBondContact O-CG 3.39Å; N74-R78 PolarHBondContact O-N 3Å; R75-R78 CarbonylContact O-C 3.53Å; R75-R78 PolarHBondContact O-N 3.29Å; R75-R78 VanDerWaalsContact O-N 3.15Å; E76-R78 PolarHBondContact O-N 3.36Å; R78-Y80 VanDerWaalsContact C-N 3.28Å; R78-Y80 HydrophobicContact CB-CD2 3.59Å; R78-Y80 HydrophobicContact CB-CE2 3.64Å; R78-Y80 PolarHBondContact O-N 3.43Å |
| 79 | N | 88.8 | Confident | 91.7 | Very high | 148 Ų | 148 | 96.3 Ų | 96.3 | 79% | 0.791 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 26.6 | -179.1 | -57.5 | -51.4 | 0 | 0 | 0 | 115.2 | R75 E76 A77 | R75-N79 PolarHBondContact O-N 3.14Å; E76-N79 WeakPolarHBondContact O-CA 2.98Å; E76-N79 PolarHBondContact O-N 3.01Å; A77-N79 VanDerWaalsContact C-N 3.31Å |
| 80 | Y | 89.4 | Confident | 91.7 | Very high | 147 Ų | 147 | 95.5 Ų | 95.5 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 140.8 | 171.8 | -74 | -82.8 | 0 | 0 | 0 | 111.5 | R75 R78 L82 | R75-Y80 PolarHBondContact O-N 2.73Å; R78-Y80 VanDerWaalsContact C-N 3.28Å; R78-Y80 HydrophobicContact CB-CD2 3.59Å; R78-Y80 HydrophobicContact CB-CE2 3.64Å; R78-Y80 PolarHBondContact O-N 3.43Å; Y80-L82 PolarHBondContact O-N 3.4Å |
| 81 | T | 90.7 | Very high | 91.5 | Very high | 145 Ų | 145 | 97.3 Ų | 97.3 | 89% | 0.89 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 118.7 | 176 | -24 | 0 | 0 | 0 | 0 | 110.5 | ||
| 82 | L | 91.4 | Very high | 91.1 | Very high | 33 Ų | 33 | 96.8 Ų | 96.8 | 17% | 0.173 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 146.4 | 174.4 | -64.3 | -178.2 | 0 | 0 | 0 | 110.5 | L72 R75 E76 Y80 E86 A87 V90 | L72-L82 HydrophobicContact CD2-CD2 4.01Å; R75-L82 HydrophobicContact CB-CD2 4.13Å; E76-L82 HydrophobicContact CB-CD1 4.17Å; E76-L82 HydrophobicContact CG-CD1 4.4Å; Y80-L82 PolarHBondContact O-N 3.4Å; L82-E86 HydrophobicContact CB-CB 4.17Å; L82-A87 HydrophobicContact CB-CB 4.3Å; L82-V90 HydrophobicContact CD1-CG2 4.04Å |
| 83 | S | 93.2 | Very high | 90.7 | Very high | 59 Ų | 59 | 97.5 Ų | 97.5 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 158.8 | 169.5 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | K85 E86 A87 | S83-K85 PolarHBondContact O-N 3.3Å; S83-K85 VanDerWaalsContact O-N 3.15Å; S83-E86 WeakPolarHBondContact CB-OE2 3.5Å; S83-E86 PolarHBondContact N-OE2 2.95Å; S83-E86 PolarHBondContact O-N 3.37Å; S83-E86 VanDerWaalsContact OG-CD 3.31Å; S83-E86 VanDerWaalsContact OG-CG 3.28Å; S83-E86 WeakPolarHBondContact OG-CG 3.39Å; S83-E86 PolarHBondContact OG-N 3.38Å; S83-E86 PolarHBondContact OG-OE2 2.98Å; S83-A87 WeakPolarHBondContact O-CB 3.16Å; S83-A87 PolarHBondContact O-N 3.11Å |
| 84 | F | 92.6 | Very high | 90.3 | Very high | 170 Ų | 170 | 100.3 Ų | 100.3 | 75% | 0.746 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -53.7 | -39 | 178.6 | -177.7 | -100.3 | 0 | 0 | 0 | 113.2 | K88 | F84-K88 VanDerWaalsContact O-CB 3.3Å; F84-K88 WeakPolarHBondContact O-CB 3.4Å; F84-K88 PolarHBondContact O-N 2.08Å |
| 85 | K | 93.3 | Very high | 89.6 | Confident | 175 Ų | 175 | 101.3 Ų | 101.3 | 76% | 0.761 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.8 | -41.1 | 178.3 | -68.8 | -179.2 | -178.8 | 175.3 | 0 | 111.9 | S83 M89 | S83-K85 PolarHBondContact O-N 3.3Å; S83-K85 VanDerWaalsContact O-N 3.15Å; K85-M89 PolarHBondContact O-N 3.47Å |
| 86 | E | 91.4 | Very high | 88.3 | Confident | 53 Ų | 53 | 96.1 Ų | 96.1 | 25% | 0.248 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70.3 | -45 | 178.6 | -70.5 | 167.2 | 139.2 | 0 | 0 | 111.4 | L72 L82 S83 K88 M89 V90 | L72-E86 HydrophobicContact CD1-CB 4.06Å; L72-E86 HydrophobicContact CD1-CG 4.16Å; L72-E86 HydrophobicContact CD2-CB 3.94Å; L72-E86 HydrophobicContact CD2-CG 3.78Å; L82-E86 HydrophobicContact CB-CB 4.17Å; S83-E86 WeakPolarHBondContact CB-OE2 3.5Å; S83-E86 PolarHBondContact N-OE2 2.95Å; S83-E86 PolarHBondContact O-N 3.37Å; S83-E86 VanDerWaalsContact OG-CD 3.31Å; S83-E86 VanDerWaalsContact OG-CG 3.28Å; S83-E86 WeakPolarHBondContact OG-CG 3.39Å; S83-E86 PolarHBondContact OG-N 3.38Å; S83-E86 PolarHBondContact OG-OE2 2.98Å; E86-K88 VanDerWaalsContact C-N 3.31Å; E86-K88 PolarHBondContact O-N 3.08Å; E86-M89 WeakPolarHBondContact O-CB 3.25Å; E86-M89 PolarHBondContact O-N 3.06Å; E86-V90 WeakPolarHBondContact O-CG2 3.37Å; E86-V90 PolarHBondContact O-N 2.93Å |
| 87 | A | 91.9 | Very high | 86.9 | Confident | 43 Ų | 43 | 100.4 Ų | 100.4 | 36% | 0.355 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | L82 S83 M89 V90 K91 | L82-A87 HydrophobicContact CB-CB 4.3Å; S83-A87 WeakPolarHBondContact O-CB 3.16Å; S83-A87 PolarHBondContact O-N 3.11Å; A87-M89 VanDerWaalsContact C-N 3.28Å; A87-M89 PolarHBondContact O-N 3.4Å; A87-V90 PolarHBondContact O-N 3.31Å; A87-K91 VanDerWaalsContact O-CB 3.23Å; A87-K91 WeakPolarHBondContact O-CB 3.34Å; A87-K91 PolarHBondContact O-N 3.42Å |
| 88 | K | 92.9 | Very high | 85.2 | Confident | 117 Ų | 117 | 99.7 Ų | 99.7 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 174.3 | -172.3 | 173.5 | -174.1 | 173 | 0 | 112.3 | F84 E86 K92 | F84-K88 VanDerWaalsContact O-CB 3.3Å; F84-K88 WeakPolarHBondContact O-CB 3.4Å; F84-K88 PolarHBondContact O-N 2.08Å; E86-K88 VanDerWaalsContact C-N 3.31Å; E86-K88 PolarHBondContact O-N 3.08Å; K88-K92 WeakPolarHBondContact O-CB 3.14Å; K88-K92 VanDerWaalsContact O-CG 3.31Å; K88-K92 WeakPolarHBondContact O-CG 3.45Å; K88-K92 PolarHBondContact O-N 2.93Å |
| 89 | M | 88.6 | Confident | 83.1 | Confident | 63 Ų | 63 | 94.7 Ų | 94.7 | 31% | 0.31 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.8 | -46.7 | 178.1 | -171.1 | -177.2 | -54.4 | 0 | 0 | 111.9 | K68 I69 L72 K85 E86 A87 K91 K92 F93 | K68-M89 HydrophobicContact CD-SD 4.31Å; K68-M89 HydrophobicContact CG-SD 4.49Å; I69-M89 HydrophobicContact CG1-CG 4.5Å; I69-M89 HydrophobicContact CG1-SD 4.4Å; L72-M89 HydrophobicContact CD1-SD 4.04Å; K85-M89 PolarHBondContact O-N 3.47Å; E86-M89 WeakPolarHBondContact O-CB 3.25Å; E86-M89 PolarHBondContact O-N 3.06Å; A87-M89 VanDerWaalsContact C-N 3.28Å; A87-M89 PolarHBondContact O-N 3.4Å; M89-K91 VanDerWaalsContact C-N 3.35Å; M89-K92 PolarHBondContact O-N 2.85Å; M89-F93 PolarHBondContact O-N 3.21Å |
| 90 | V | 89.6 | Confident | 81.1 | Confident | 1 Ų | 1 | 91.6 Ų | 91.6 | 1% | 0.006 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | L72 L73 E76 L82 E86 A87 F93 K94 | L72-V90 HydrophobicContact CB-CG2 3.54Å; L72-V90 HydrophobicContact CD1-CG2 4.12Å; L72-V90 HydrophobicContact CG-CG2 4.46Å; L73-V90 HydrophobicContact CD2-CG1 3.77Å; E76-V90 WeakPolarHBondContact OE2-CG1 3.02Å; L82-V90 HydrophobicContact CD1-CG2 4.04Å; E86-V90 WeakPolarHBondContact O-CG2 3.37Å; E86-V90 PolarHBondContact O-N 2.93Å; A87-V90 PolarHBondContact O-N 3.31Å; V90-F93 PolarHBondContact O-N 3.5Å; V90-F93 VanDerWaalsContact O-N 3.14Å; V90-K94 HydrophobicContact CG1-CD 4.05Å; V90-K94 HydrophobicContact CG1-CG 4.33Å; V90-K94 WeakPolarHBondContact O-CG 3.47Å; V90-K94 PolarHBondContact O-N 3.16Å |
| 91 | K | 88.5 | Confident | 79.2 | Confident | 134 Ų | 134 | 87.9 Ų | 87.9 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.1 | -49.8 | 175 | -176.3 | 170.5 | -177.7 | 177.4 | 0 | 111.6 | A87 M89 F93 K94 D95 | A87-K91 VanDerWaalsContact O-CB 3.23Å; A87-K91 WeakPolarHBondContact O-CB 3.34Å; A87-K91 PolarHBondContact O-N 3.42Å; M89-K91 VanDerWaalsContact C-N 3.35Å; K91-F93 VanDerWaalsContact C-N 3.26Å; K91-F93 PolarHBondContact O-N 3.35Å; K91-K94 PolarHBondContact O-N 2.84Å; K91-D95 VanDerWaalsContact CG-OD2 3.25Å; K91-D95 WeakPolarHBondContact CG-OD2 3.44Å; K91-D95 VanDerWaalsContact O-CB 3.26Å; K91-D95 WeakPolarHBondContact O-CB 2.85Å; K91-D95 PolarHBondContact O-N 3.32Å |
| 92 | K | 85.8 | Confident | 77.1 | Confident | 141 Ų | 141 | 83.3 Ų | 83.3 | 61% | 0.613 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -55.8 | -38.7 | 174.3 | -79.5 | -179.1 | 177 | -168.3 | 0 | 113.1 | K88 M89 S96 | K88-K92 WeakPolarHBondContact O-CB 3.14Å; K88-K92 VanDerWaalsContact O-CG 3.31Å; K88-K92 WeakPolarHBondContact O-CG 3.45Å; K88-K92 PolarHBondContact O-N 2.93Å; M89-K92 PolarHBondContact O-N 2.85Å; K92-S96 VanDerWaalsContact O-CB 3.29Å; K92-S96 WeakPolarHBondContact O-CB 3.45Å; K92-S96 PolarHBondContact O-N 3.44Å |
| 93 | F | 85.2 | Confident | 75.2 | Confident | 24 Ų | 24 | 85.9 Ų | 85.9 | 11% | 0.105 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -71.7 | -41.6 | 178.1 | 177.7 | -97.5 | 0 | 0 | 0 | 112.7 | A63 L65 I69 L73 M89 V90 K91 S96 | A63-F93 HydrophobicContact CB-CD2 4.24Å; A63-F93 VanDerWaalsContact O-CE2 3.26Å; A63-F93 WeakPolarHBondContact O-CE2 3.25Å; L65-F93 HydrophobicContact CB-CE2 4.41Å; L65-F93 HydrophobicContact CB-CZ 4.12Å; L65-F93 HydrophobicContact CD1-CE1 3.98Å; L65-F93 HydrophobicContact CD1-CE2 4.24Å; L65-F93 HydrophobicContact CD1-CZ 3.57Å; L65-F93 HydrophobicContact CG-CZ 4.46Å; I69-F93 HydrophobicContact CD1-CB 4.22Å; I69-F93 HydrophobicContact CD1-CD2 3.68Å; I69-F93 HydrophobicContact CD1-CE2 4.32Å; I69-F93 HydrophobicContact CD1-CG 4.12Å; I69-F93 HydrophobicContact CG2-CB 4.08Å; I69-F93 HydrophobicContact CG2-CD1 3.6Å; I69-F93 HydrophobicContact CG2-CD2 3.87Å; I69-F93 HydrophobicContact CG2-CE1 3.93Å; I69-F93 HydrophobicContact CG2-CE2 4.15Å; I69-F93 HydrophobicContact CG2-CG 3.57Å; I69-F93 HydrophobicContact CG2-CZ 4.19Å; L73-F93 HydrophobicContact CD1-CD1 4.16Å; L73-F93 HydrophobicContact CD1-CE1 3.86Å; M89-F93 PolarHBondContact O-N 3.21Å; V90-F93 PolarHBondContact O-N 3.5Å; V90-F93 VanDerWaalsContact O-N 3.14Å; K91-F93 VanDerWaalsContact C-N 3.26Å; K91-F93 PolarHBondContact O-N 3.35Å; F93-S96 PolarHBondContact O-N 2.84Å; F93-S96 PolarHBondContact O-OG 3.42Å |
| 94 | K | 82.8 | Confident | 73.3 | Confident | 99 Ų | 99 | 84 Ų | 84 | 43% | 0.43 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 175.5 | -72.5 | -179.7 | 178 | 179.8 | 0 | 111.6 | E76 V90 K91 S96 | E76-K94 IonicContact OE1-NZ 2.63Å; E76-K94 PolarHBondContact OE1-NZ 3.23Å; E76-K94 WeakPolarHBondContact OE2-CE 3.49Å; E76-K94 IonicContact OE2-NZ 3.23Å; E76-K94 PolarHBondContact OE2-NZ 3.46Å; V90-K94 HydrophobicContact CG1-CD 4.05Å; V90-K94 HydrophobicContact CG1-CG 4.33Å; V90-K94 WeakPolarHBondContact O-CG 3.47Å; V90-K94 PolarHBondContact O-N 3.16Å; K91-K94 PolarHBondContact O-N 2.84Å; K94-S96 PolarHBondContact O-N 2.89Å |
| 95 | D | 76.7 | Confident | 71 | Confident | 106 Ų | 106 | 82.1 Ų | 82.1 | 57% | 0.567 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.5 | -23.2 | 177 | -64.4 | -13.5 | 0 | 0 | 0 | 111.7 | K91 K97 | K91-D95 VanDerWaalsContact CG-OD2 3.25Å; K91-D95 WeakPolarHBondContact CG-OD2 3.44Å; K91-D95 VanDerWaalsContact O-CB 3.26Å; K91-D95 WeakPolarHBondContact O-CB 2.85Å; K91-D95 PolarHBondContact O-N 3.32Å; D95-K97 PolarHBondContact O-N 3.08Å |
| 96 | S | 66.7 | Low | 68.7 | Low | 28 Ų | 28 | 76.2 Ų | 76.2 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | trans | -68.9 | 101.1 | 170.3 | 75.6 | 0 | 0 | 0 | 0 | 109.7 | K62 K92 F93 K94 | K62-S96 WeakPolarHBondContact CD-O 3.45Å; K62-S96 WeakPolarHBondContact CE-O 3.41Å; K62-S96 WeakPolarHBondContact CG-O 3.32Å; K92-S96 VanDerWaalsContact O-CB 3.29Å; K92-S96 WeakPolarHBondContact O-CB 3.45Å; K92-S96 PolarHBondContact O-N 3.44Å; F93-S96 PolarHBondContact O-N 2.84Å; F93-S96 PolarHBondContact O-OG 3.42Å; K94-S96 PolarHBondContact O-N 2.89Å | ||
| 97 | K | 60.6 | Low | 66.6 | Low | 158 Ų | 158 | 77 Ų | 77 | 69% | 0.687 | 38% | 0.384 | S | S | * | . | trans | -88.5 | 156.7 | 165 | -61.2 | -174.1 | -174.7 | -175 | 0 | 108.5 | D95 V99 | D95-K97 PolarHBondContact O-N 3.08Å; K97-V99 VanDerWaalsContact C-N 3.26Å; K97-V99 PolarHBondContact O-N 2.98Å | ||
| 98 | S | 54.5 | Low | 64.4 | Low | 64 Ų | 64 | 78.1 Ų | 78.1 | 45% | 0.448 | 39% | 0.389 | S | S | . | . | trans | -60.2 | 100.6 | 158.6 | 46.8 | 0 | 0 | 0 | 0 | 106.4 | K60 L100 | K60-S98 VanDerWaalsContact O-CA 3.25Å; K60-S98 WeakPolarHBondContact O-CA 3.34Å; K60-S98 WeakPolarHBondContact O-CB 3.18Å; S98-L100 PolarHBondContact O-N 3.39Å | ||
| 99 | V | 51.3 | Low | 62.2 | Low | 80 Ų | 80 | 75.9 Ų | 75.9 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | trans | -72.7 | 117.7 | -178.4 | -178.1 | 0 | 0 | 0 | 0 | 106.4 | K60 K97 N101 | K60-V99 PolarHBondContact N-O 3.23Å; K97-V99 VanDerWaalsContact C-N 3.26Å; K97-V99 PolarHBondContact O-N 2.98Å; V99-N101 VanDerWaalsContact C-N 3.34Å; V99-N101 PolarHBondContact O-N 3.19Å | ||
| 100 | L | 46.5 | Very low | 60.3 | Low | 83 Ų | 83 | 81 Ų | 81 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 95.8 | 171.6 | -147.4 | 138.6 | 0 | 0 | 0 | 105.6 | V57 L59 S98 T102 | V57-L100 HydrophobicContact CB-CD2 4.22Å; V57-L100 HydrophobicContact CG1-CD1 3.97Å; V57-L100 HydrophobicContact CG1-CD2 3.4Å; V57-L100 VanDerWaalsContact CG1-CD2 3.4Å; V57-L100 HydrophobicContact CG1-CG 3.41Å; V57-L100 VanDerWaalsContact CG1-CG 3.41Å; V57-L100 HydrophobicContact CG2-CD2 3.9Å; L59-L100 HydrophobicContact CD2-CD1 4.07Å; L59-L100 HydrophobicContact CD2-CG 4.1Å; S98-L100 PolarHBondContact O-N 3.39Å; L100-T102 HydrophobicContact CD2-CG2 3.49Å; L100-T102 VanDerWaalsContact CD2-CG2 3.49Å; L100-T102 PolarHBondContact O-N 3.12Å; L100-T102 PolarHBondContact O-OG1 3.1Å |
| 101 | N | 48.1 | Very low | 58.4 | Low | 70 Ų | 70 | 85.7 Ų | 85.7 | 37% | 0.374 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 88.3 | 170.2 | -94.2 | 18.3 | 0 | 0 | 0 | 106.1 | R58 V99 Y103 | R58-N101 HydrophobicContact CB-CB 4.48Å; R58-N101 PolarHBondContact N-O 3.22Å; R58-N101 VanDerWaalsContact N-O 3.14Å; R58-N101 WeakPolarHBondContact O-CB 3.42Å; R58-N101 PolarHBondContact O-N 2.96Å; V99-N101 VanDerWaalsContact C-N 3.34Å; V99-N101 PolarHBondContact O-N 3.19Å; N101-Y103 WeakPolarHBondContact O-CD1 3.33Å; N101-Y103 PolarHBondContact O-N 3.12Å |
| 102 | T | 47.9 | Very low | 56.6 | Low | 49 Ų | 49 | 84.6 Ų | 84.6 | 30% | 0.301 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 103 | 169.5 | 7.8 | 0 | 0 | 0 | 0 | 108.2 | L50 V57 L100 | L50-T102 HydrophobicContact CD1-CG2 3.75Å; L50-T102 HydrophobicContact CD2-CG2 3.85Å; L50-T102 HydrophobicContact CG-CG2 4.26Å; V57-T102 HydrophobicContact CG2-CG2 4.11Å; L100-T102 HydrophobicContact CD2-CG2 3.49Å; L100-T102 VanDerWaalsContact CD2-CG2 3.49Å; L100-T102 PolarHBondContact O-N 3.12Å; L100-T102 PolarHBondContact O-OG1 3.1Å |
| 103 | Y | 50.9 | Low | 54.9 | Low | 86 Ų | 86 | 82.5 Ų | 82.5 | 34% | 0.337 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.7 | 164.3 | 45.1 | -77.6 | 0 | 0 | 0 | 107 | R56 R58 N101 W105 | R56-Y103 HydrophobicContact CB-CD2 4.19Å; R56-Y103 HydrophobicContact CB-CE2 3.41Å; R56-Y103 VanDerWaalsContact CB-CE2 3.41Å; R56-Y103 WeakPolarHBondContact CD-OH 3.45Å; R56-Y103 HydrophobicContact CG-CE2 3.87Å; R56-Y103 WeakPolarHBondContact CG-OH 3.06Å; R56-Y103 WeakPolarHBondContact O-CD1 3.45Å; R56-Y103 WeakPolarHBondContact O-CE1 3.18Å; R58-Y103 HydrophobicContact CB-CE1 3.61Å; N101-Y103 WeakPolarHBondContact O-CD1 3.33Å; N101-Y103 PolarHBondContact O-N 3.12Å; Y103-W105 PolarHBondContact O-N 2.9Å |
| 104 | I | 52.7 | Low | 53.3 | Low | 19 Ų | 19 | 87.6 Ų | 87.6 | 10% | 0.097 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.7 | 178.2 | -78 | 169 | 0 | 0 | 0 | 108.9 | C43 C46 Q48 L50 T106 V107 | C43-I104 HydrophobicContact CB-CD1 3.04Å; C43-I104 HydrophobicContact CB-CG1 4.24Å; C43-I104 VanDerWaalsContact SG-CD1 3.54Å; C46-I104 WeakPolarHBondContact SG-CD1 3.48Å; Q48-I104 HydrophobicContact CB-CD1 3.82Å; Q48-I104 HydrophobicContact CG-CD1 4.33Å; L50-I104 HydrophobicContact CD2-CD1 3.69Å; L50-I104 HydrophobicContact CD2-CG1 3.23Å; L50-I104 HydrophobicContact CG-CG1 4.46Å; I104-T106 HydrophobicContact CG2-CG2 4.18Å; I104-T106 VanDerWaalsContact CG2-N 3.33Å; I104-T106 WeakPolarHBondContact CG2-OG1 3.47Å; I104-T106 PolarHBondContact O-N 3.31Å; I104-V107 HydrophobicContact CG2-CG2 4.05Å |
| 105 | W | 45.4 | Very low | 51.9 | Low | 132 Ų | 132 | 88 Ų | 88 | 50% | 0.5 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.7 | -28.6 | 174.3 | -118.5 | 46.8 | 0 | 0 | 0 | 112.1 | Y103 V107 S108 I109 | Y103-W105 PolarHBondContact O-N 2.9Å; W105-V107 VanDerWaalsContact C-N 3.33Å; W105-V107 PolarHBondContact O-N 3.36Å; W105-S108 PolarHBondContact O-N 3.44Å; W105-I109 HydrophobicContact CD2-CD1 4.18Å; W105-I109 HydrophobicContact CE3-CD1 3.36Å; W105-I109 HydrophobicContact CE3-CG1 4.24Å; W105-I109 HydrophobicContact CZ3-CD1 3.73Å; W105-I109 PolarHBondContact O-N 3.06Å |
| 106 | T | 45 | Very low | 50.4 | Low | 50 Ų | 50 | 87.8 Ų | 87.8 | 31% | 0.307 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.4 | -33.6 | -177.3 | 70.1 | 0 | 0 | 0 | 0 | 113.4 | I104 Y110 | I104-T106 HydrophobicContact CG2-CG2 4.18Å; I104-T106 VanDerWaalsContact CG2-N 3.33Å; I104-T106 WeakPolarHBondContact CG2-OG1 3.47Å; I104-T106 PolarHBondContact O-N 3.31Å; T106-Y110 VanDerWaalsContact O-CB 3.32Å; T106-Y110 WeakPolarHBondContact O-CB 3.22Å; T106-Y110 PolarHBondContact O-N 2.78Å |
| 107 | V | 46 | Very low | 49.6 | Very low | 69 Ų | 69 | 92.1 Ų | 92.1 | 42% | 0.418 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.3 | -42.3 | 176.9 | -178 | 0 | 0 | 0 | 0 | 110.5 | I104 W105 Y110 L111 | I104-V107 HydrophobicContact CG2-CG2 4.05Å; W105-V107 VanDerWaalsContact C-N 3.33Å; W105-V107 PolarHBondContact O-N 3.36Å; V107-Y110 PolarHBondContact O-N 3.48Å; V107-L111 HydrophobicContact CG1-CD1 3.79Å; V107-L111 HydrophobicContact CG1-CG 4.33Å; V107-L111 WeakPolarHBondContact O-CB 3.37Å; V107-L111 VanDerWaalsContact O-CG 3.22Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 2.92Å |
| 108 | S | 46.8 | Very low | 49.3 | Very low | 67 Ų | 67 | 89.4 Ų | 89.4 | 47% | 0.469 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 176.1 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | W105 L112 | W105-S108 PolarHBondContact O-N 3.44Å; S108-L112 VanDerWaalsContact O-CB 3.25Å; S108-L112 WeakPolarHBondContact O-CB 3.25Å; S108-L112 WeakPolarHBondContact O-CD1 3.23Å; S108-L112 VanDerWaalsContact O-CG 3.29Å; S108-L112 WeakPolarHBondContact O-CG 3.32Å; S108-L112 PolarHBondContact O-N 2.89Å |
| 109 | I | 46.6 | Very low | 49.2 | Very low | 70 Ų | 70 | 91 Ų | 91 | 36% | 0.359 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 175.9 | -71.4 | 173.5 | 0 | 0 | 0 | 111.4 | W105 L111 L112 L113 | W105-I109 HydrophobicContact CD2-CD1 4.18Å; W105-I109 HydrophobicContact CE3-CD1 3.36Å; W105-I109 HydrophobicContact CE3-CG1 4.24Å; W105-I109 HydrophobicContact CZ3-CD1 3.73Å; W105-I109 PolarHBondContact O-N 3.06Å; I109-L111 VanDerWaalsContact C-N 3.35Å; I109-L111 PolarHBondContact O-N 3.48Å; I109-L112 PolarHBondContact O-N 2.93Å; I109-L113 HydrophobicContact CG2-CD1 3.58Å; I109-L113 HydrophobicContact CG2-CG 4.13Å; I109-L113 VanDerWaalsContact O-CB 3.27Å; I109-L113 WeakPolarHBondContact O-CB 3.17Å; I109-L113 VanDerWaalsContact O-CG 3.3Å; I109-L113 WeakPolarHBondContact O-CG 3.44Å; I109-L113 PolarHBondContact O-N 2.94Å |
| 110 | Y | 49.2 | Very low | 49.3 | Very low | 172 Ų | 172 | 92.5 Ų | 92.5 | 68% | 0.675 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 177.2 | -108.3 | -87.7 | 0 | 0 | 0 | 112.1 | T106 V107 K114 | T106-Y110 VanDerWaalsContact O-CB 3.32Å; T106-Y110 WeakPolarHBondContact O-CB 3.22Å; T106-Y110 PolarHBondContact O-N 2.78Å; V107-Y110 PolarHBondContact O-N 3.48Å; Y110-K114 WeakPolarHBondContact O-CB 3.32Å; Y110-K114 PolarHBondContact O-N 2.86Å |
| 111 | L | 48.8 | Very low | 49.8 | Very low | 98 Ų | 98 | 94 Ų | 94 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 175.6 | -72.4 | 170.2 | 0 | 0 | 0 | 111.1 | V107 I109 L113 K114 E115 | V107-L111 HydrophobicContact CG1-CD1 3.79Å; V107-L111 HydrophobicContact CG1-CG 4.33Å; V107-L111 WeakPolarHBondContact O-CB 3.37Å; V107-L111 VanDerWaalsContact O-CG 3.22Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 2.92Å; I109-L111 VanDerWaalsContact C-N 3.35Å; I109-L111 PolarHBondContact O-N 3.48Å; L111-L113 PolarHBondContact O-N 2.88Å; L111-K114 PolarHBondContact O-N 3.13Å; L111-E115 WeakPolarHBondContact O-CB 3.29Å; L111-E115 WeakPolarHBondContact O-CG 3.3Å; L111-E115 PolarHBondContact O-N 3.48Å |
| 112 | L | 49.9 | Very low | 50.2 | Low | 112 Ų | 112 | 94.7 Ų | 94.7 | 59% | 0.586 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 175.4 | -82.1 | 161.8 | 0 | 0 | 0 | 112.6 | S108 I109 H116 | S108-L112 VanDerWaalsContact O-CB 3.25Å; S108-L112 WeakPolarHBondContact O-CB 3.25Å; S108-L112 WeakPolarHBondContact O-CD1 3.23Å; S108-L112 VanDerWaalsContact O-CG 3.29Å; S108-L112 WeakPolarHBondContact O-CG 3.32Å; S108-L112 PolarHBondContact O-N 2.89Å; I109-L112 PolarHBondContact O-N 2.93Å; L112-H116 VanDerWaalsContact O-CB 3.23Å; L112-H116 WeakPolarHBondContact O-CB 3.27Å; L112-H116 PolarHBondContact O-N 3.37Å |
| 113 | L | 51.1 | Low | 50.4 | Low | 96 Ų | 96 | 97.1 Ų | 97.1 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 175.8 | -78.2 | 169.9 | 0 | 0 | 0 | 111.4 | I109 L111 H116 Q117 | I109-L113 HydrophobicContact CG2-CD1 3.58Å; I109-L113 HydrophobicContact CG2-CG 4.13Å; I109-L113 VanDerWaalsContact O-CB 3.27Å; I109-L113 WeakPolarHBondContact O-CB 3.17Å; I109-L113 VanDerWaalsContact O-CG 3.3Å; I109-L113 WeakPolarHBondContact O-CG 3.44Å; I109-L113 PolarHBondContact O-N 2.94Å; L111-L113 PolarHBondContact O-N 2.88Å; L113-H116 PolarHBondContact O-N 3.27Å; L113-Q117 VanDerWaalsContact O-CB 3.29Å; L113-Q117 WeakPolarHBondContact O-CB 3.42Å; L113-Q117 PolarHBondContact O-N 3.37Å |
| 114 | K | 51.3 | Low | 50.5 | Low | 131 Ų | 131 | 98 Ų | 98 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.4 | -42.2 | 178.4 | -164.8 | 176.5 | -174.6 | -177.9 | 0 | 111.7 | Y110 L111 Q117 Q118 | Y110-K114 WeakPolarHBondContact O-CB 3.32Å; Y110-K114 PolarHBondContact O-N 2.86Å; L111-K114 PolarHBondContact O-N 3.13Å; K114-Q117 PolarHBondContact O-N 3.16Å; K114-Q118 WeakPolarHBondContact O-CB 3.43Å; K114-Q118 WeakPolarHBondContact O-CG 3.13Å; K114-Q118 PolarHBondContact O-N 2.84Å |
| 115 | E | 54.4 | Low | 50.5 | Low | 109 Ų | 109 | 100.9 Ų | 100.9 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 171.5 | -77.8 | 178.3 | 176.1 | 0 | 0 | 111.2 | L111 Q117 Q118 N119 | L111-E115 WeakPolarHBondContact O-CB 3.29Å; L111-E115 WeakPolarHBondContact O-CG 3.3Å; L111-E115 PolarHBondContact O-N 3.48Å; E115-Q117 VanDerWaalsContact C-N 3.33Å; E115-Q117 PolarHBondContact O-N 2.85Å; E115-Q118 PolarHBondContact O-N 3.33Å; E115-N119 VanDerWaalsContact O-CB 3.26Å; E115-N119 WeakPolarHBondContact O-CB 3.43Å; E115-N119 PolarHBondContact O-N 3.44Å; E115-N119 PolarHBondContact O-ND2 3.49Å; E115-N119 VanDerWaalsContact O-ND2 3.16Å |
| 116 | H | 44 | Very low | 51 | Low | 100 Ų | 100 | 99.1 Ų | 99.1 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -34.8 | 176.9 | -175.6 | -121.6 | 0 | 0 | 0 | 112.8 | L112 L113 K120 | L112-H116 VanDerWaalsContact O-CB 3.23Å; L112-H116 WeakPolarHBondContact O-CB 3.27Å; L112-H116 PolarHBondContact O-N 3.37Å; L113-H116 PolarHBondContact O-N 3.27Å; H116-K120 WeakPolarHBondContact CE1-CE 3.45Å; H116-K120 PolarHBondContact CE1-NZ 2.88Å; H116-K120 WeakPolarHBondContact NE2-CE 3.35Å; H116-K120 WeakPolarHBondContact O-CB 3.26Å; H116-K120 VanDerWaalsContact O-CG 3.28Å; H116-K120 WeakPolarHBondContact O-CG 3.38Å; H116-K120 PolarHBondContact O-N 3.03Å |
| 117 | Q | 50.7 | Low | 51.3 | Low | 119 Ų | 119 | 103.2 Ų | 103.2 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.1 | -42.7 | 176.5 | -165.3 | 161.3 | -7.5 | 0 | 0 | 111.6 | L113 K114 E115 N119 K120 E121 | L113-Q117 VanDerWaalsContact O-CB 3.29Å; L113-Q117 WeakPolarHBondContact O-CB 3.42Å; L113-Q117 PolarHBondContact O-N 3.37Å; K114-Q117 PolarHBondContact O-N 3.16Å; E115-Q117 VanDerWaalsContact C-N 3.33Å; E115-Q117 PolarHBondContact O-N 2.85Å; Q117-N119 PolarHBondContact O-N 3.43Å; Q117-K120 PolarHBondContact O-N 3.48Å; Q117-E121 WeakPolarHBondContact O-CG 3.28Å; Q117-E121 PolarHBondContact O-N 3.06Å |
| 118 | Q | 54.7 | Low | 51.6 | Low | 102 Ų | 102 | 106.1 Ų | 106.1 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 172.1 | -75.3 | 176.8 | -28.3 | 0 | 0 | 112.6 | K114 E115 K120 E121 T122 | K114-Q118 WeakPolarHBondContact O-CB 3.43Å; K114-Q118 WeakPolarHBondContact O-CG 3.13Å; K114-Q118 PolarHBondContact O-N 2.84Å; E115-Q118 PolarHBondContact O-N 3.33Å; Q118-K120 VanDerWaalsContact C-N 3.33Å; Q118-K120 PolarHBondContact O-N 3.18Å; Q118-E121 PolarHBondContact O-N 3.2Å; Q118-T122 WeakPolarHBondContact O-CG2 3.39Å; Q118-T122 PolarHBondContact O-N 2.9Å; Q118-T122 PolarHBondContact O-OG1 2.97Å |
| 119 | N | 51.7 | Low | 51.8 | Low | 98 Ų | 98 | 108.9 Ų | 108.9 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -30.6 | 176 | -71.8 | -23 | 0 | 0 | 0 | 112.4 | E115 Q117 T122 L123 | E115-N119 VanDerWaalsContact O-CB 3.26Å; E115-N119 WeakPolarHBondContact O-CB 3.43Å; E115-N119 PolarHBondContact O-N 3.44Å; E115-N119 PolarHBondContact O-ND2 3.49Å; E115-N119 VanDerWaalsContact O-ND2 3.16Å; Q117-N119 PolarHBondContact O-N 3.43Å; N119-T122 WeakPolarHBondContact CA-OG1 3.32Å; N119-T122 PolarHBondContact O-OG1 3.45Å; N119-L123 WeakPolarHBondContact O-CB 3.37Å; N119-L123 PolarHBondContact O-N 3.21Å |
| 120 | K | 53.5 | Low | 51.5 | Low | 110 Ų | 110 | 114.4 Ų | 114.4 | 48% | 0.478 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.5 | -40.9 | 173.7 | -80.6 | 175.3 | 170.3 | -177.3 | 0 | 112.5 | H116 Q117 Q118 L123 L124 | H116-K120 WeakPolarHBondContact CE1-CE 3.45Å; H116-K120 PolarHBondContact CE1-NZ 2.88Å; H116-K120 WeakPolarHBondContact NE2-CE 3.35Å; H116-K120 WeakPolarHBondContact O-CB 3.26Å; H116-K120 VanDerWaalsContact O-CG 3.28Å; H116-K120 WeakPolarHBondContact O-CG 3.38Å; H116-K120 PolarHBondContact O-N 3.03Å; Q117-K120 PolarHBondContact O-N 3.48Å; Q118-K120 VanDerWaalsContact C-N 3.33Å; Q118-K120 PolarHBondContact O-N 3.18Å; K120-L123 PolarHBondContact O-N 3.01Å; K120-L124 WeakPolarHBondContact O-CB 3.39Å; K120-L124 WeakPolarHBondContact O-CD1 3.43Å; K120-L124 WeakPolarHBondContact O-CG 3.49Å; K120-L124 PolarHBondContact O-N 2.91Å |
| 121 | E | 57.5 | Low | 51.7 | Low | 116 Ų | 116 | 111.6 Ų | 111.6 | 54% | 0.542 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.2 | -39.8 | 177.5 | -73.2 | 169.9 | -169.9 | 0 | 0 | 111.6 | Q117 Q118 L124 S125 | Q117-E121 WeakPolarHBondContact O-CG 3.28Å; Q117-E121 PolarHBondContact O-N 3.06Å; Q118-E121 PolarHBondContact O-N 3.2Å; E121-L124 PolarHBondContact O-N 3.22Å; E121-S125 WeakPolarHBondContact O-CB 3.34Å; E121-S125 PolarHBondContact O-N 3.4Å |
| 122 | T | 55 | Low | 51.8 | Low | 83 Ų | 83 | 112.3 Ų | 112.3 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.7 | -36.9 | 174.8 | 48 | 0 | 0 | 0 | 0 | 113.1 | Q118 N119 T126 | Q118-T122 WeakPolarHBondContact O-CG2 3.39Å; Q118-T122 PolarHBondContact O-N 2.9Å; Q118-T122 PolarHBondContact O-OG1 2.97Å; N119-T122 WeakPolarHBondContact CA-OG1 3.32Å; N119-T122 PolarHBondContact O-OG1 3.45Å; T122-T126 WeakPolarHBondContact O-CG2 3.37Å; T122-T126 PolarHBondContact O-N 3Å; T122-T126 PolarHBondContact O-OG1 2.96Å |
| 123 | L | 52.9 | Low | 51.9 | Low | 100 Ų | 100 | 112.3 Ų | 112.3 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.2 | -29.9 | 173.2 | -97 | 160.4 | 0 | 0 | 0 | 114 | N119 K120 T126 K127 | N119-L123 WeakPolarHBondContact O-CB 3.37Å; N119-L123 PolarHBondContact O-N 3.21Å; K120-L123 PolarHBondContact O-N 3.01Å; L123-T126 WeakPolarHBondContact CA-OG1 3.49Å; L123-T126 PolarHBondContact O-OG1 3.4Å; L123-K127 WeakPolarHBondContact O-CG 3.49Å |
| 124 | L | 54.1 | Low | 52 | Low | 106 Ų | 106 | 113.2 Ų | 113.2 | 56% | 0.555 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -79.7 | -37.3 | 175.7 | -75.7 | 162 | 0 | 0 | 0 | 111.2 | K120 E121 T126 K127 N128 | K120-L124 WeakPolarHBondContact O-CB 3.39Å; K120-L124 WeakPolarHBondContact O-CD1 3.43Å; K120-L124 WeakPolarHBondContact O-CG 3.49Å; K120-L124 PolarHBondContact O-N 2.91Å; E121-L124 PolarHBondContact O-N 3.22Å; L124-T126 VanDerWaalsContact C-N 3.28Å; L124-T126 PolarHBondContact O-N 3.36Å; L124-K127 PolarHBondContact O-N 3.28Å; L124-N128 PolarHBondContact O-ND2 3.38Å |
| 125 | S | 51.6 | Low | 52 | Low | 78 Ų | 78 | 112.1 Ų | 112.1 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.2 | -28.5 | 175.5 | -172.4 | 0 | 0 | 0 | 0 | 113.5 | E121 | E121-S125 WeakPolarHBondContact O-CB 3.34Å; E121-S125 PolarHBondContact O-N 3.4Å |
| 126 | T | 55.2 | Low | 51.8 | Low | 95 Ų | 95 | 112.3 Ų | 112.3 | 58% | 0.583 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -85 | -19.7 | 179 | 44.2 | 0 | 0 | 0 | 0 | 113.6 | T122 L123 L124 | T122-T126 WeakPolarHBondContact O-CG2 3.37Å; T122-T126 PolarHBondContact O-N 3Å; T122-T126 PolarHBondContact O-OG1 2.96Å; L123-T126 WeakPolarHBondContact CA-OG1 3.49Å; L123-T126 PolarHBondContact O-OG1 3.4Å; L124-T126 VanDerWaalsContact C-N 3.28Å; L124-T126 PolarHBondContact O-N 3.36Å |
| 127 | K | 52.7 | Low | 52.4 | Low | 137 Ų | 137 | 113.2 Ų | 113.2 | 60% | 0.596 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.3 | -20.7 | 176.2 | -73.4 | 176.2 | -178.9 | -176.3 | 0 | 113.8 | L123 L124 | L123-K127 WeakPolarHBondContact O-CG 3.49Å; L124-K127 PolarHBondContact O-N 3.28Å |
| 128 | N | 51.3 | Low | 52.5 | Low | 130 Ų | 130 | 112.8 Ų | 112.8 | 70% | 0.695 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 9.2 | -177.4 | -62.6 | -21.1 | 0 | 0 | 0 | 113.7 | L124 | L124-N128 PolarHBondContact O-ND2 3.38Š|
| 129 | V | 51.3 | Low | 52.3 | Low | 125 Ų | 125 | 113.7 Ų | 113.7 | 76% | 0.758 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 21.2 | -179.3 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 130 | T | 41.4 | Very low | 52.4 | Low | 186 Ų | 186 | 115.1 Ų | 115.1 | 100% | 1.141 | 63% | 0.63 | S | S | * | * | trans | -127.8 | 0 | 170.4 | 0.1 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 130 of 130 residues in 196.7 ms
(Link to these results)