| 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 | 66.2 | Low | 85.5 | Confident | 242 Ų | 242 | 118.1 Ų | 118.1 | 100% | 1.192 | 63% | 0.628 | S | S | * | * | 0 | 126.4 | 0 | -67.8 | 171 | 177.8 | 0 | 0 | 107.5 | |||||
| 2 | T | 76.4 | Confident | 85.3 | Confident | 144 Ų | 144 | 115.5 Ų | 115.5 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 118.5 | 172 | 41.1 | 0 | 0 | 0 | 0 | 109.2 | ||
| 3 | I | 87.9 | Confident | 85.3 | Confident | 111 Ų | 111 | 115.2 Ų | 115.2 | 57% | 0.569 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 137.6 | 173.2 | -56 | 173.6 | 0 | 0 | 0 | 107.3 | Q7 A8 | I3-Q7 HydrophobicContact CG2-CB 3.46Å; I3-Q7 VanDerWaalsContact CG2-CB 3.46Å; I3-A8 HydrophobicContact CG2-CB 4.41Å |
| 4 | S | 91.2 | Very high | 85.3 | Confident | 46 Ų | 46 | 114.2 Ų | 114.2 | 32% | 0.322 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 156.7 | 175.4 | 77.7 | 0 | 0 | 0 | 0 | 111.3 | E6 Q7 A8 | S4-E6 PolarHBondContact O-N 3.1Å; S4-Q7 VanDerWaalsContact N-OE1 3.08Å; S4-Q7 PolarHBondContact O-N 2.92Å; S4-Q7 VanDerWaalsContact O-N 3.14Å; S4-Q7 WeakPolarHBondContact OG-CG 3.33Å; S4-Q7 PolarHBondContact OG-N 3.14Å; S4-Q7 VanDerWaalsContact OG-N 3.14Å; S4-A8 PolarHBondContact O-N 3.3Å |
| 5 | L | 88.2 | Confident | 84.7 | Confident | 160 Ų | 160 | 118 Ų | 118 | 84% | 0.838 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.7 | -36.7 | 176.5 | -73.6 | 170.7 | 0 | 0 | 0 | 112 | A8 L9 | L5-A8 PolarHBondContact O-N 3.14Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.32Å |
| 6 | E | 90.2 | Very high | 84.1 | Confident | 152 Ų | 152 | 114.3 Ų | 114.3 | 71% | 0.71 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.2 | -46.5 | 174.2 | -59.9 | 178.7 | 149.7 | 0 | 0 | 111.8 | S4 A8 L9 I10 | S4-E6 PolarHBondContact O-N 3.1Å; E6-A8 VanDerWaalsContact C-N 3.32Å; E6-A8 PolarHBondContact O-N 3.37Å; E6-L9 PolarHBondContact O-N 3.43Å; E6-I10 VanDerWaalsContact O-CG1 3.29Å; E6-I10 WeakPolarHBondContact O-CG1 3.45Å; E6-I10 PolarHBondContact O-N 3.14Å |
| 7 | Q | 89.8 | Confident | 84 | Confident | 104 Ų | 104 | 115.2 Ų | 115.2 | 49% | 0.486 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.9 | -40 | 176.1 | -74.5 | 170.3 | -11.9 | 0 | 0 | 111.8 | I3 S4 I10 I11 | I3-Q7 HydrophobicContact CG2-CB 3.46Å; I3-Q7 VanDerWaalsContact CG2-CB 3.46Å; S4-Q7 VanDerWaalsContact N-OE1 3.08Å; S4-Q7 PolarHBondContact O-N 2.92Å; S4-Q7 VanDerWaalsContact O-N 3.14Å; S4-Q7 WeakPolarHBondContact OG-CG 3.33Å; S4-Q7 PolarHBondContact OG-N 3.14Å; S4-Q7 VanDerWaalsContact OG-N 3.14Å; Q7-I10 PolarHBondContact O-N 3.08Å; Q7-I11 WeakPolarHBondContact O-CB 3.38Å; Q7-I11 WeakPolarHBondContact O-CD1 3.48Å; Q7-I11 WeakPolarHBondContact O-CG1 3.2Å; Q7-I11 PolarHBondContact O-N 3.1Å |
| 8 | A | 86.9 | Confident | 83.7 | Confident | 50 Ų | 50 | 115 Ų | 115 | 41% | 0.413 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I3 S4 L5 E6 I11 L12 | I3-A8 HydrophobicContact CG2-CB 4.41Å; S4-A8 PolarHBondContact O-N 3.3Å; L5-A8 PolarHBondContact O-N 3.14Å; E6-A8 VanDerWaalsContact C-N 3.32Å; E6-A8 PolarHBondContact O-N 3.37Å; A8-I11 PolarHBondContact O-N 2.72Å; A8-L12 PolarHBondContact O-N 3.44Å; A8-L12 VanDerWaalsContact O-N 3.1Å |
| 9 | L | 87.8 | Confident | 82.8 | Confident | 98 Ų | 98 | 113.7 Ų | 113.7 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.1 | -45.4 | 176.8 | -169.7 | 145.8 | 0 | 0 | 0 | 111.7 | L5 E6 I11 L12 E13 | L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.32Å; E6-L9 PolarHBondContact O-N 3.43Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.15Å; L9-L12 WeakPolarHBondContact O-CB 3.43Å; L9-L12 PolarHBondContact O-N 3.06Å; L9-E13 HydrophobicContact CD2-CG 4.13Å; L9-E13 PolarHBondContact O-N 3.12Å |
| 10 | I | 89.4 | Confident | 82.1 | Confident | 107 Ų | 107 | 112.7 Ų | 112.7 | 55% | 0.549 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.1 | -41.6 | 175.2 | -67.9 | 163.2 | 0 | 0 | 0 | 111.3 | E6 Q7 L12 E13 H14 | E6-I10 VanDerWaalsContact O-CG1 3.29Å; E6-I10 WeakPolarHBondContact O-CG1 3.45Å; E6-I10 PolarHBondContact O-N 3.14Å; Q7-I10 PolarHBondContact O-N 3.08Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 3.1Å; I10-E13 PolarHBondContact O-N 3.02Å; I10-H14 VanDerWaalsContact O-CB 3.28Å; I10-H14 WeakPolarHBondContact O-CB 3.29Å; I10-H14 PolarHBondContact O-N 3.49Å |
| 11 | I | 86.6 | Confident | 81.7 | Confident | 85 Ų | 85 | 109.8 Ų | 109.8 | 44% | 0.436 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.5 | -36.8 | 176 | -71 | 164.1 | 0 | 0 | 0 | 111.4 | Q7 A8 L9 R15 | Q7-I11 WeakPolarHBondContact O-CB 3.38Å; Q7-I11 WeakPolarHBondContact O-CD1 3.48Å; Q7-I11 WeakPolarHBondContact O-CG1 3.2Å; Q7-I11 PolarHBondContact O-N 3.1Å; A8-I11 PolarHBondContact O-N 2.72Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.15Å; I11-R15 WeakPolarHBondContact O-CG 3.44Å; I11-R15 PolarHBondContact O-N 2.94Å; I11-R15 VanDerWaalsContact O-N 3.13Å |
| 12 | L | 83 | Confident | 81.7 | Confident | 87 Ų | 87 | 100 Ų | 100 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70 | -47.3 | 177.8 | -175.2 | 63.3 | 0 | 0 | 0 | 111.7 | A8 L9 I10 H14 R15 Q16 | A8-L12 PolarHBondContact O-N 3.44Å; A8-L12 VanDerWaalsContact O-N 3.1Å; L9-L12 WeakPolarHBondContact O-CB 3.43Å; L9-L12 PolarHBondContact O-N 3.06Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 3.1Å; L12-H14 PolarHBondContact O-N 3.38Å; L12-R15 PolarHBondContact O-N 2.93Å; L12-Q16 WeakPolarHBondContact O-CG 3.26Å; L12-Q16 PolarHBondContact O-N 3.47Å |
| 13 | E | 85.1 | Confident | 81 | Confident | 112 Ų | 112 | 97 Ų | 97 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 176.4 | -70.2 | -171.2 | 148.4 | 0 | 0 | 111.8 | L9 I10 R15 Q16 Q17 | L9-E13 HydrophobicContact CD2-CG 4.13Å; L9-E13 PolarHBondContact O-N 3.12Å; I10-E13 PolarHBondContact O-N 3.02Å; E13-R15 VanDerWaalsContact C-N 3.32Å; E13-R15 PolarHBondContact O-N 3.24Å; E13-Q16 WeakPolarHBondContact O-CB 3.5Å; E13-Q16 PolarHBondContact O-N 2.99Å; E13-Q16 VanDerWaalsContact O-N 3.1Å; E13-Q17 PolarHBondContact O-N 3.38Å |
| 14 | H | 84.8 | Confident | 80.3 | Confident | 101 Ų | 101 | 97.2 Ų | 97.2 | 47% | 0.468 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 176.1 | -179 | -99.6 | 0 | 0 | 0 | 112 | I10 L12 Q17 Q18 | I10-H14 VanDerWaalsContact O-CB 3.28Å; I10-H14 WeakPolarHBondContact O-CB 3.29Å; I10-H14 PolarHBondContact O-N 3.49Å; L12-H14 PolarHBondContact O-N 3.38Å; H14-Q17 PolarHBondContact O-N 3.17Å; H14-Q18 VanDerWaalsContact CE1-CD 3.42Å; H14-Q18 PolarHBondContact CE1-NE2 3.3Å; H14-Q18 WeakPolarHBondContact O-CG 3.32Å; H14-Q18 PolarHBondContact O-N 2.85Å |
| 15 | R | 77.4 | Confident | 79.4 | Confident | 171 Ų | 171 | 99.8 Ų | 99.8 | 65% | 0.645 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -36.6 | 173.6 | -79.5 | -176.4 | 175.8 | -130.5 | 1.2 | 113 | I11 L12 E13 M19 | I11-R15 WeakPolarHBondContact O-CG 3.44Å; I11-R15 PolarHBondContact O-N 2.94Å; I11-R15 VanDerWaalsContact O-N 3.13Å; L12-R15 PolarHBondContact O-N 2.93Å; E13-R15 VanDerWaalsContact C-N 3.32Å; E13-R15 PolarHBondContact O-N 3.24Å; R15-M19 WeakPolarHBondContact O-CB 3.43Å; R15-M19 PolarHBondContact O-N 2.71Å |
| 16 | Q | 75.4 | Confident | 78.3 | Confident | 58 Ų | 58 | 95 Ų | 95 | 27% | 0.271 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 174.4 | -68.9 | -65.8 | -39.6 | 0 | 0 | 111.3 | L12 E13 M19 L20 Y214 | L12-Q16 WeakPolarHBondContact O-CG 3.26Å; L12-Q16 PolarHBondContact O-N 3.47Å; E13-Q16 WeakPolarHBondContact O-CB 3.5Å; E13-Q16 PolarHBondContact O-N 2.99Å; E13-Q16 VanDerWaalsContact O-N 3.1Å; Q16-M19 PolarHBondContact O-N 3.39Å; Q16-L20 PolarHBondContact O-N 3.43Å; Q16-Y214 PolarHBondContact NE2-OH 3.17Å |
| 17 | Q | 82.3 | Confident | 76.9 | Confident | 131 Ų | 131 | 91.7 Ų | 91.7 | 61% | 0.612 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 176.3 | -70.1 | -179.3 | 1.4 | 0 | 0 | 112.2 | E13 H14 M19 L20 A21 | E13-Q17 PolarHBondContact O-N 3.38Å; H14-Q17 PolarHBondContact O-N 3.17Å; Q17-M19 VanDerWaalsContact C-N 3.35Å; Q17-M19 PolarHBondContact O-N 3.23Å; Q17-L20 PolarHBondContact O-N 3.13Å; Q17-A21 WeakPolarHBondContact O-CB 3.28Å; Q17-A21 PolarHBondContact O-N 3.07Å |
| 18 | Q | 77.8 | Confident | 75.8 | Confident | 111 Ų | 111 | 92.4 Ų | 92.4 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 174.8 | -75.1 | -173.6 | -34.9 | 0 | 0 | 112.5 | H14 F22 | H14-Q18 VanDerWaalsContact CE1-CD 3.42Å; H14-Q18 PolarHBondContact CE1-NE2 3.3Å; H14-Q18 WeakPolarHBondContact O-CG 3.32Å; H14-Q18 PolarHBondContact O-N 2.85Å; Q18-F22 WeakPolarHBondContact O-CB 3.05Å; Q18-F22 PolarHBondContact O-N 2.93Å |
| 19 | M | 67.2 | Low | 75 | Confident | 91 Ų | 91 | 92.8 Ų | 92.8 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 177.1 | -167.1 | -172.9 | -51 | 0 | 0 | 111.9 | R15 Q16 Q17 F22 Q23 | R15-M19 WeakPolarHBondContact O-CB 3.43Å; R15-M19 PolarHBondContact O-N 2.71Å; Q16-M19 PolarHBondContact O-N 3.39Å; Q17-M19 VanDerWaalsContact C-N 3.35Å; Q17-M19 PolarHBondContact O-N 3.23Å; M19-F22 PolarHBondContact O-N 3.48Å; M19-Q23 WeakPolarHBondContact O-CG 3.04Å; M19-Q23 PolarHBondContact O-N 3.49Å |
| 20 | L | 68.3 | Low | 73.6 | Confident | 92 Ų | 92 | 91.3 Ų | 91.3 | 48% | 0.482 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 177.6 | -175 | 66.5 | 0 | 0 | 0 | 111.7 | Q16 Q17 F22 Q23 Q24 | Q16-L20 PolarHBondContact O-N 3.43Å; Q17-L20 PolarHBondContact O-N 3.13Å; L20-F22 VanDerWaalsContact C-N 3.35Å; L20-F22 PolarHBondContact O-N 2.99Å; L20-Q23 PolarHBondContact O-N 2.97Å; L20-Q24 WeakPolarHBondContact O-CG 3.44Å; L20-Q24 PolarHBondContact O-N 2.76Å |
| 21 | A | 74.5 | Confident | 72.2 | Confident | 53 Ų | 53 | 88.2 Ų | 88.2 | 44% | 0.438 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q17 Q24 Q25 | Q17-A21 WeakPolarHBondContact O-CB 3.28Å; Q17-A21 PolarHBondContact O-N 3.07Å; A21-Q24 PolarHBondContact O-N 2.99Å; A21-Q25 WeakPolarHBondContact O-CB 3.23Å; A21-Q25 PolarHBondContact O-N 3.3Å |
| 22 | F | 66.2 | Low | 70.9 | Confident | 36 Ų | 36 | 88.5 Ų | 88.5 | 16% | 0.158 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 174.9 | 179.8 | -117.6 | 0 | 0 | 0 | 112.3 | Q18 M19 L20 Q25 L26 L299 P300 Y302 | Q18-F22 WeakPolarHBondContact O-CB 3.05Å; Q18-F22 PolarHBondContact O-N 2.93Å; M19-F22 PolarHBondContact O-N 3.48Å; L20-F22 VanDerWaalsContact C-N 3.35Å; L20-F22 PolarHBondContact O-N 2.99Å; F22-Q25 PolarHBondContact O-N 3.01Å; F22-L26 HydrophobicContact CD1-CD1 4Å; F22-L26 HydrophobicContact CE1-CD1 3.62Å; F22-L26 HydrophobicContact CE1-CG 4.34Å; F22-L26 HydrophobicContact CE2-CD1 4.42Å; F22-L26 HydrophobicContact CE2-CD2 4.47Å; F22-L26 HydrophobicContact CE2-CG 4.27Å; F22-L26 HydrophobicContact CZ-CD1 3.86Å; F22-L26 HydrophobicContact CZ-CD2 4.3Å; F22-L26 HydrophobicContact CZ-CG 4.15Å; F22-L26 WeakPolarHBondContact O-CG 3.31Å; F22-L26 PolarHBondContact O-N 2.79Å; F22-L299 HydrophobicContact CD2-CD2 4.07Å; F22-L299 HydrophobicContact CD2-CG 4Å; F22-L299 HydrophobicContact CE2-CB 4.27Å; F22-L299 HydrophobicContact CE2-CD2 4.02Å; F22-L299 HydrophobicContact CE2-CG 4.05Å; F22-P300 HydrophobicContact CE1-CB 4.29Å; F22-P300 HydrophobicContact CE1-CG 3.93Å; F22-P300 HydrophobicContact CE2-CG 4.38Å; F22-P300 HydrophobicContact CZ-CB 3.84Å; F22-P300 HydrophobicContact CZ-CG 3.79Å; F22-Y302 HydrophobicContact CE1-CE2 4.05Å; F22-Y302 AromaticContact CZ-CE2 3.68Å; F22-Y302 HydrophobicContact CZ-CE2 3.68Å |
| 23 | Q | 61 | Low | 69.9 | Low | 80 Ų | 80 | 90 Ų | 90 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.2 | -37 | 175.3 | -74.8 | -173.6 | 1.7 | 0 | 0 | 112.9 | M19 L20 L26 F27 | M19-Q23 WeakPolarHBondContact O-CG 3.04Å; M19-Q23 PolarHBondContact O-N 3.49Å; L20-Q23 PolarHBondContact O-N 2.97Å; Q23-L26 PolarHBondContact O-N 3.05Å; Q23-F27 WeakPolarHBondContact O-CB 3.44Å; Q23-F27 PolarHBondContact O-N 3.37Å |
| 24 | Q | 72.5 | Confident | 68.2 | Low | 116 Ų | 116 | 91.8 Ų | 91.8 | 54% | 0.542 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 170.9 | -73.2 | 174.1 | -18.5 | 0 | 0 | 111 | L20 A21 L26 F27 E28 | L20-Q24 WeakPolarHBondContact O-CG 3.44Å; L20-Q24 PolarHBondContact O-N 2.76Å; A21-Q24 PolarHBondContact O-N 2.99Å; Q24-L26 VanDerWaalsContact C-N 3.33Å; Q24-L26 PolarHBondContact O-N 2.84Å; Q24-F27 WeakPolarHBondContact O-CB 3.15Å; Q24-F27 PolarHBondContact O-N 2.74Å; Q24-F27 VanDerWaalsContact O-N 3.1Å; Q24-E28 WeakPolarHBondContact O-CG 3.2Å; Q24-E28 PolarHBondContact O-N 2.85Å |
| 25 | Q | 73.4 | Confident | 66.5 | Low | 101 Ų | 101 | 93.2 Ų | 93.2 | 47% | 0.472 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 178.3 | -172.7 | 175.4 | -3.9 | 0 | 0 | 112.7 | A21 F22 T29 | A21-Q25 WeakPolarHBondContact O-CB 3.23Å; A21-Q25 PolarHBondContact O-N 3.3Å; F22-Q25 PolarHBondContact O-N 3.01Å; Q25-T29 VanDerWaalsContact O-CB 3.24Å; Q25-T29 WeakPolarHBondContact O-CB 3.2Å; Q25-T29 PolarHBondContact O-N 3.04Å; Q25-T29 PolarHBondContact O-OG1 3.06Å |
| 26 | L | 64 | Low | 65.4 | Low | 58 Ų | 58 | 89.4 Ų | 89.4 | 30% | 0.304 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 171.4 | -75.2 | 172.2 | 0 | 0 | 0 | 111.8 | F22 Q23 Q24 T29 V30 Y302 | F22-L26 HydrophobicContact CD1-CD1 4Å; F22-L26 HydrophobicContact CE1-CD1 3.62Å; F22-L26 HydrophobicContact CE1-CG 4.34Å; F22-L26 HydrophobicContact CE2-CD1 4.42Å; F22-L26 HydrophobicContact CE2-CD2 4.47Å; F22-L26 HydrophobicContact CE2-CG 4.27Å; F22-L26 HydrophobicContact CZ-CD1 3.86Å; F22-L26 HydrophobicContact CZ-CD2 4.3Å; F22-L26 HydrophobicContact CZ-CG 4.15Å; F22-L26 WeakPolarHBondContact O-CG 3.31Å; F22-L26 PolarHBondContact O-N 2.79Å; Q23-L26 PolarHBondContact O-N 3.05Å; Q24-L26 VanDerWaalsContact C-N 3.33Å; Q24-L26 PolarHBondContact O-N 2.84Å; L26-T29 PolarHBondContact O-N 3.07Å; L26-V30 WeakPolarHBondContact O-CB 3.39Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.37Å; L26-V30 PolarHBondContact O-N 3.16Å; L26-Y302 HydrophobicContact CD1-CE2 4.03Å; L26-Y302 HydrophobicContact CD2-CD2 4.28Å; L26-Y302 HydrophobicContact CD2-CE2 4Å |
| 27 | F | 62.6 | Low | 64.4 | Low | 84 Ų | 84 | 92.3 Ų | 92.3 | 37% | 0.368 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.6 | -50.7 | 179.3 | -177 | -104.9 | 0 | 0 | 0 | 111.5 | Q23 Q24 T29 V30 L31 | Q23-F27 WeakPolarHBondContact O-CB 3.44Å; Q23-F27 PolarHBondContact O-N 3.37Å; Q24-F27 WeakPolarHBondContact O-CB 3.15Å; Q24-F27 PolarHBondContact O-N 2.74Å; Q24-F27 VanDerWaalsContact O-N 3.1Å; F27-T29 PolarHBondContact O-N 3.4Å; F27-V30 PolarHBondContact O-N 3.03Å; F27-V30 VanDerWaalsContact O-N 3.17Å; F27-L31 HydrophobicContact CD1-CD1 4.02Å; F27-L31 HydrophobicContact CD1-CG 4.3Å; F27-L31 HydrophobicContact CE1-CD1 3.43Å; F27-L31 VanDerWaalsContact CE1-CD1 3.43Å; F27-L31 HydrophobicContact CE1-CG 4.04Å; F27-L31 HydrophobicContact CE2-CD1 4.5Å; F27-L31 HydrophobicContact CE2-CD2 4.36Å; F27-L31 HydrophobicContact CE2-CG 4.42Å; F27-L31 HydrophobicContact CZ-CD1 3.72Å; F27-L31 HydrophobicContact CZ-CD2 4.25Å; F27-L31 HydrophobicContact CZ-CG 4.11Å; F27-L31 WeakPolarHBondContact O-CG 3.17Å; F27-L31 PolarHBondContact O-N 3.26Å |
| 28 | E | 66.6 | Low | 62.5 | Low | 119 Ų | 119 | 89 Ų | 89 | 56% | 0.556 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.5 | -44.9 | 175.2 | -64.4 | -53.9 | 141.5 | 0 | 0 | 111.7 | Q24 V30 L31 D32 | Q24-E28 WeakPolarHBondContact O-CG 3.2Å; Q24-E28 PolarHBondContact O-N 2.85Å; E28-V30 PolarHBondContact O-N 3.46Å; E28-L31 PolarHBondContact O-N 3.22Å; E28-D32 WeakPolarHBondContact O-CB 3.49Å; E28-D32 PolarHBondContact O-N 2.66Å |
| 29 | T | 68.5 | Low | 61 | Low | 57 Ų | 57 | 88 Ų | 88 | 35% | 0.35 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.2 | -32.9 | 177.5 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | Q25 L26 F27 K33 | Q25-T29 VanDerWaalsContact O-CB 3.24Å; Q25-T29 WeakPolarHBondContact O-CB 3.2Å; Q25-T29 PolarHBondContact O-N 3.04Å; Q25-T29 PolarHBondContact O-OG1 3.06Å; L26-T29 PolarHBondContact O-N 3.07Å; F27-T29 PolarHBondContact O-N 3.4Å; T29-K33 HydrophobicContact CG2-CD 4.38Å; T29-K33 WeakPolarHBondContact O-CD 3.38Å; T29-K33 VanDerWaalsContact O-CG 3.28Å; T29-K33 WeakPolarHBondContact O-CG 3.38Å; T29-K33 PolarHBondContact O-N 3.02Å |
| 30 | V | 59.6 | Low | 60.2 | Low | 67 Ų | 67 | 92.8 Ų | 92.8 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77 | -44.8 | 176.3 | 166.8 | 0 | 0 | 0 | 0 | 110.7 | L26 F27 E28 K33 F34 | L26-V30 WeakPolarHBondContact O-CB 3.39Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.37Å; L26-V30 PolarHBondContact O-N 3.16Å; F27-V30 PolarHBondContact O-N 3.03Å; F27-V30 VanDerWaalsContact O-N 3.17Å; E28-V30 PolarHBondContact O-N 3.46Å; V30-K33 PolarHBondContact O-N 3.1Å; V30-F34 HydrophobicContact CG1-CD2 3.64Å; V30-F34 HydrophobicContact CG1-CE2 3.7Å; V30-F34 VanDerWaalsContact O-CD2 3.31Å; V30-F34 WeakPolarHBondContact O-CD2 3.5Å; V30-F34 PolarHBondContact O-N 3.41Å |
| 31 | L | 59.3 | Low | 59 | Low | 42 Ų | 42 | 97.2 Ų | 97.2 | 22% | 0.22 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 177 | -70.2 | -164.9 | 0 | 0 | 0 | 112.1 | F27 E28 K33 F34 F35 | F27-L31 HydrophobicContact CD1-CD1 4.02Å; F27-L31 HydrophobicContact CD1-CG 4.3Å; F27-L31 HydrophobicContact CE1-CD1 3.43Å; F27-L31 VanDerWaalsContact CE1-CD1 3.43Å; F27-L31 HydrophobicContact CE1-CG 4.04Å; F27-L31 HydrophobicContact CE2-CD1 4.5Å; F27-L31 HydrophobicContact CE2-CD2 4.36Å; F27-L31 HydrophobicContact CE2-CG 4.42Å; F27-L31 HydrophobicContact CZ-CD1 3.72Å; F27-L31 HydrophobicContact CZ-CD2 4.25Å; F27-L31 HydrophobicContact CZ-CG 4.11Å; F27-L31 WeakPolarHBondContact O-CG 3.17Å; F27-L31 PolarHBondContact O-N 3.26Å; E28-L31 PolarHBondContact O-N 3.22Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 3.29Å; L31-F34 PolarHBondContact O-N 3.1Å; L31-F35 HydrophobicContact CB-CD2 4.22Å; L31-F35 HydrophobicContact CB-CE2 4.21Å; L31-F35 HydrophobicContact CD2-CE2 4.09Å; L31-F35 HydrophobicContact CG-CE2 4.5Å; L31-F35 WeakPolarHBondContact O-CD2 3.46Å; L31-F35 PolarHBondContact O-N 2.97Å |
| 32 | D | 59.9 | Low | 57.5 | Low | 92 Ų | 92 | 99.1 Ų | 99.1 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.3 | -48 | 177.6 | -171.5 | 95.1 | 0 | 0 | 0 | 110.9 | E28 F34 F35 N36 | E28-D32 WeakPolarHBondContact O-CB 3.49Å; E28-D32 PolarHBondContact O-N 2.66Å; D32-F34 VanDerWaalsContact C-N 3.34Å; D32-F34 PolarHBondContact O-N 3.13Å; D32-F35 PolarHBondContact O-N 2.95Å; D32-N36 VanDerWaalsContact O-CB 3.23Å; D32-N36 WeakPolarHBondContact O-CB 3.24Å; D32-N36 PolarHBondContact O-N 3.4Å; D32-N36 PolarHBondContact OD1-ND2 3.31Å; D32-N36 PolarHBondContact OD2-ND2 2.92Å |
| 33 | K | 60.9 | Low | 56.6 | Low | 119 Ų | 119 | 103.7 Ų | 103.7 | 52% | 0.517 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.5 | -28.1 | 176.5 | -70.8 | 174.2 | -174.6 | 175.9 | 0 | 113.7 | T29 V30 L31 N37 | T29-K33 HydrophobicContact CG2-CD 4.38Å; T29-K33 WeakPolarHBondContact O-CD 3.38Å; T29-K33 VanDerWaalsContact O-CG 3.28Å; T29-K33 WeakPolarHBondContact O-CG 3.38Å; T29-K33 PolarHBondContact O-N 3.02Å; V30-K33 PolarHBondContact O-N 3.1Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 3.29Å; K33-N37 WeakPolarHBondContact O-CB 3.43Å; K33-N37 PolarHBondContact O-ND2 2.9Å |
| 34 | F | 50.9 | Low | 56.2 | Low | 149 Ų | 149 | 105.2 Ų | 105.2 | 65% | 0.654 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -75.3 | -41.1 | 174.2 | -94.2 | -68.2 | 0 | 0 | 0 | 112.5 | V30 L31 D32 | V30-F34 HydrophobicContact CG1-CD2 3.64Å; V30-F34 HydrophobicContact CG1-CE2 3.7Å; V30-F34 VanDerWaalsContact O-CD2 3.31Å; V30-F34 WeakPolarHBondContact O-CD2 3.5Å; V30-F34 PolarHBondContact O-N 3.41Å; L31-F34 PolarHBondContact O-N 3.1Å; D32-F34 VanDerWaalsContact C-N 3.34Å; D32-F34 PolarHBondContact O-N 3.13Å |
| 35 | F | 48.3 | Very low | 55.1 | Low | 131 Ų | 131 | 106.9 Ų | 106.9 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -86.2 | -43.1 | -175.3 | -66.8 | -60.5 | 0 | 0 | 0 | 113.2 | L31 D32 G38 | L31-F35 HydrophobicContact CB-CD2 4.22Å; L31-F35 HydrophobicContact CB-CE2 4.21Å; L31-F35 HydrophobicContact CD2-CE2 4.09Å; L31-F35 HydrophobicContact CG-CE2 4.5Å; L31-F35 WeakPolarHBondContact O-CD2 3.46Å; L31-F35 PolarHBondContact O-N 2.97Å; D32-F35 PolarHBondContact O-N 2.95Å; F35-G38 PolarHBondContact O-N 2.91Å |
| 36 | N | 54.6 | Low | 53.7 | Low | 90 Ų | 90 | 111.1 Ų | 111.1 | 48% | 0.481 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.7 | -30.1 | -173.4 | -67.3 | -23.8 | 0 | 0 | 0 | 113.5 | D32 G38 A39 | D32-N36 VanDerWaalsContact O-CB 3.23Å; D32-N36 WeakPolarHBondContact O-CB 3.24Å; D32-N36 PolarHBondContact O-N 3.4Å; D32-N36 PolarHBondContact OD1-ND2 3.31Å; D32-N36 PolarHBondContact OD2-ND2 2.92Å; N36-G38 VanDerWaalsContact C-N 3.26Å; N36-G38 PolarHBondContact O-N 3.38Å; N36-A39 PolarHBondContact O-N 2.94Å |
| 37 | N | 54.9 | Low | 53.4 | Low | 119 Ų | 119 | 118 Ų | 118 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -72.4 | -17.2 | 178.6 | -73 | -44.1 | 0 | 0 | 0 | 113.4 | K33 A39 | K33-N37 WeakPolarHBondContact O-CB 3.43Å; K33-N37 PolarHBondContact O-ND2 2.9Å; N37-A39 VanDerWaalsContact C-N 3.28Å; N37-A39 PolarHBondContact O-N 3.03Å |
| 38 | G | 42.5 | Very low | 52.6 | Low | 63 Ų | 63 | 119.9 Ų | 119.9 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -70.8 | -19.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F35 N36 | F35-G38 PolarHBondContact O-N 2.91Å; N36-G38 VanDerWaalsContact C-N 3.26Å; N36-G38 PolarHBondContact O-N 3.38Å |
| 39 | A | 45.3 | Very low | 52.1 | Low | 90 Ų | 90 | 120.9 Ų | 120.9 | 74% | 0.744 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -93.5 | 8.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N36 N37 | N36-A39 PolarHBondContact O-N 2.94Å; N37-A39 VanDerWaalsContact C-N 3.28Å; N37-A39 PolarHBondContact O-N 3.03Å |
| 40 | K | 50.6 | Low | 51 | Low | 191 Ų | 191 | 127.8 Ų | 127.8 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -123.2 | 14.8 | -171.2 | -86.2 | -174.6 | 175.3 | 177.8 | 0 | 116.3 | A42 | K40-A42 PolarHBondContact O-N 2.86Å; K40-A42 VanDerWaalsContact O-N 3.09Å |
| 41 | M | 42.6 | Very low | 50.3 | Low | 185 Ų | 185 | 127.6 Ų | 127.6 | 91% | 0.911 | 70% | 0.695 | S | S | * | * | trans | -70.5 | 105.9 | 167.3 | -67.5 | -134.3 | -156.6 | 0 | 0 | 109.8 | ||||
| 42 | A | 42.4 | Very low | 49.7 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 143.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | K40 | K40-A42 PolarHBondContact O-N 2.86Å; K40-A42 VanDerWaalsContact O-N 3.09Å |
| 43 | V | 48.9 | Very low | 49.6 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 127.8 | 171.5 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | E45 | V43-E45 PolarHBondContact O-N 2.89Š|
| 44 | P | 51.8 | Low | 48.8 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 116.5 | 171.1 | 27.9 | -32.3 | 0 | 0 | 0 | 109 | E46 | P44-E46 PolarHBondContact O-N 3.02Å; P44-E46 VanDerWaalsContact O-N 3.14Å |
| 45 | E | 49.1 | Very low | 48.9 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -66.7 | 105.8 | 176.3 | -178.4 | -177 | -117.6 | 0 | 0 | 109.8 | V43 R47 | V43-E45 PolarHBondContact O-N 2.89Å; E45-R47 PolarHBondContact O-N 3.24Å; E45-R47 IonicContact OE2-NE 3.78Å; E45-R47 IonicContact OE2-NH2 3.88Å | ||
| 46 | E | 44.3 | Very low | 48.6 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -65.6 | 106.6 | 174.3 | -73.8 | -166.2 | 144.3 | 0 | 0 | 110.2 | P44 | P44-E46 PolarHBondContact O-N 3.02Å; P44-E46 VanDerWaalsContact O-N 3.14Å | ||
| 47 | R | 58.1 | Low | 48.7 | Very low | 201 Ų | 201 | 136.8 Ų | 136.8 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | -81.6 | 127.8 | 170.1 | -64.9 | -176.6 | 178.1 | -173.4 | -1.8 | 109 | E45 V49 | E45-R47 PolarHBondContact O-N 3.24Å; E45-R47 IonicContact OE2-NE 3.78Å; E45-R47 IonicContact OE2-NH2 3.88Å; R47-V49 PolarHBondContact O-N 3.49Å | ||
| 48 | P | 46 | Very low | 48.2 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -64.4 | 135.7 | 177.5 | 27.2 | -34 | 0 | 0 | 0 | 110.2 | E50 | P48-E50 PolarHBondContact O-N 3.47Š| ||
| 49 | V | 55 | Low | 48.6 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -76 | 109.8 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | R47 G51 | R47-V49 PolarHBondContact O-N 3.49Å; V49-G51 PolarHBondContact O-N 3Å | ||
| 50 | E | 46.4 | Very low | 48.6 | Very low | 201 Ų | 201 | 145.9 Ų | 145.9 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | -77.3 | 96.9 | -179.2 | -171.8 | 167.8 | -139.7 | 0 | 0 | 110.5 | P48 | P48-E50 PolarHBondContact O-N 3.47Š| ||
| 51 | G | 43.7 | Very low | 48.4 | Very low | 63 Ų | 63 | 140.4 Ų | 140.4 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | trans | 158.3 | 71.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | V49 | V49-G51 PolarHBondContact O-N 3Š| ||
| 52 | S | 47.3 | Very low | 48.7 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -153.4 | 137.4 | 161.8 | -81.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 53 | I | 57.6 | Low | 48.6 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 72% | 0.718 | 82% | 0.817 | S | S | * | * | trans | -86.5 | 126 | -168.5 | -60.5 | 168.3 | 0 | 0 | 0 | 110.2 | F55 | I53-F55 HydrophobicContact CG2-CD2 4.28Å; I53-F55 HydrophobicContact CG2-CE2 4.03Å; I53-F55 PolarHBondContact O-N 3Å | ||
| 54 | P | 44.5 | Very low | 48.1 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -81.1 | 109 | 175.6 | 31.3 | -32.2 | 0 | 0 | 0 | 111.1 | ||||
| 55 | F | 52.6 | Low | 47.7 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -86 | 112.2 | 166.5 | -82.8 | -80.4 | 0 | 0 | 0 | 110.7 | I53 | I53-F55 HydrophobicContact CG2-CD2 4.28Å; I53-F55 HydrophobicContact CG2-CE2 4.03Å; I53-F55 PolarHBondContact O-N 3Å | ||
| 56 | T | 42.8 | Very low | 47.2 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 82% | 0.816 | 83% | 0.829 | S | S | * | * | trans | -85.4 | 136.8 | 174.6 | 51.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 57 | S | 56.9 | Low | 47 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -148.3 | 122.6 | 157 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 58 | D | 44.4 | Very low | 46.2 | Very low | 170 Ų | 170 | 138 Ų | 138 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -68.4 | 150.4 | 174.9 | -86 | -73.7 | 0 | 0 | 0 | 113 | ||||
| 59 | G | 49.8 | Very low | 46.4 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | -166.1 | 52.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G61 | G59-G61 PolarHBondContact O-N 3.32Š| ||
| 60 | K | 45.7 | Very low | 45.8 | Very low | 219 Ų | 219 | 138.2 Ų | 138.2 | 95% | 0.952 | 82% | 0.819 | S | S | * | * | trans | -62.6 | 117.6 | 175.1 | -90.6 | 173.7 | 176.2 | 161.8 | 0 | 112.1 | ||||
| 61 | G | 46.8 | Very low | 45.5 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -147 | 135.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | G59 | G59-G61 PolarHBondContact O-N 3.32Š| ||
| 62 | K | 48.3 | Very low | 45.4 | Very low | 209 Ų | 209 | 139.2 Ų | 139.2 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -102.4 | 121 | -175.7 | -80.7 | -173.7 | 176.2 | -177.8 | 0 | 112.9 | ||||
| 63 | M | 40.2 | Very low | 45.4 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 94% | 0.941 | 80% | 0.804 | S | S | * | * | 42.9 | 107.4 | 124.5 | -171.1 | 179.7 | -172.1 | 0 | 0 | 118.5 | |||||
| 64 | G | 37.9 | Very low | 44.8 | Very low | 69 Ų | 69 | 141.3 Ų | 141.3 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 159.9 | 122.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 65 | K | 43.3 | Very low | 44.5 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | 69.5 | 112.6 | 154 | -61.1 | -178.3 | 177.8 | -178.8 | 0 | 119.8 | ||||
| 66 | L | 39.2 | Very low | 44 | Very low | 174 Ų | 174 | 141 Ų | 141 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | 41.1 | 110.7 | 121.5 | -58.1 | 172 | 0 | 0 | 0 | 118.2 | |||||
| 67 | A | 40.7 | Very low | 43.8 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -127 | 149.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 68 | G | 41.2 | Very low | 43.2 | Very low | 62 Ų | 62 | 139.8 Ų | 139.8 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | trans | -159.8 | 148.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 69 | S | 49.5 | Very low | 43.1 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 56.2 | 148.3 | -175 | 54 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 70 | E | 43.3 | Very low | 42.8 | Very low | 149 Ų | 149 | 145 Ų | 145 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | cis | -165.8 | 175 | -20.1 | -176.7 | 153.8 | -170.5 | 0 | 0 | 106.6 | ||||
| 71 | Q | 39.6 | Very low | 42.5 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 5.4 | 136.7 | 165 | -68.6 | 145.8 | 30.3 | 0 | 0 | 118.4 | ||||
| 72 | D | 42.6 | Very low | 42.2 | Very low | 135 Ų | 135 | 142 Ų | 142 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | -165.1 | 167.2 | 67.6 | -125.2 | -32.7 | 0 | 0 | 0 | 116.7 | |||||
| 73 | N | 46.6 | Very low | 41.9 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -44.2 | 152.8 | 176.8 | -58.7 | -69.1 | 0 | 0 | 0 | 118.4 | ||||
| 74 | I | 44.3 | Very low | 41.8 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 90% | 0.903 | 77% | 0.774 | S | S | * | * | -179.2 | 163.1 | 114.3 | -91.2 | 159.5 | 0 | 0 | 0 | 112.4 | |||||
| 75 | L | 39.7 | Very low | 42.6 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -107 | 178.3 | -160.4 | -112.7 | 166.7 | 0 | 0 | 0 | 114.6 | ||||
| 76 | L | 41.7 | Very low | 42.7 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 91.5 | 102.7 | 151.1 | -72.9 | 149.7 | 0 | 0 | 0 | 123.1 | ||||
| 77 | N | 38.8 | Very low | 43.2 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 95 | 166.3 | 105.1 | -142.7 | 10.9 | 0 | 0 | 0 | 123.1 | |||||
| 78 | A | 44.5 | Very low | 43.7 | Very low | 79 Ų | 79 | 137 Ų | 137 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | trans | 77.1 | 119.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 79 | H | 41.7 | Very low | 43.8 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | 66.9 | 143.7 | 78.4 | -79.7 | -102.2 | 0 | 0 | 0 | 113.4 | |||||
| 80 | E | 43.5 | Very low | 43.9 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | cis | -147.7 | -163.1 | 35.2 | -149.6 | 175.6 | 144.8 | 0 | 0 | 114.1 | ||||
| 81 | T | 39.7 | Very low | 43.9 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -128 | 151 | -155.4 | 34.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 82 | V | 40 | Very low | 44.2 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | 64.6 | 127.3 | 143.4 | 170.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 83 | T | 41.7 | Very low | 44.4 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | -156.8 | 151.6 | 129.1 | -2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 84 | V | 38.5 | Very low | 44.4 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -122.1 | 149.3 | 179.4 | 173.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 85 | S | 53.7 | Low | 44.6 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -154 | 158.1 | 165.7 | -77.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 86 | D | 45.7 | Very low | 44.9 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -148.8 | 168.2 | -134.2 | -158.4 | -1.9 | 0 | 0 | 0 | 114.1 | ||||
| 87 | V | 50.1 | Low | 44.9 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | trans | 63.1 | 113.8 | 163.4 | -171.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 88 | K | 50.6 | Low | 45.2 | Very low | 205 Ų | 205 | 137.9 Ų | 137.9 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | -167.1 | 119.4 | 116.2 | -110.1 | 171.6 | -173.2 | 169.3 | 0 | 114.9 | |||||
| 89 | E | 44.8 | Very low | 45.1 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | -80.7 | 166.3 | 167.7 | -61.6 | 178.5 | 112.9 | 0 | 0 | 112.9 | ||||
| 90 | K | 50.8 | Low | 45.3 | Very low | 213 Ų | 213 | 136.1 Ų | 136.1 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | -149.8 | 129.3 | 148 | -115.7 | -176.2 | 179.2 | -173.5 | 0 | 111.2 | ||||
| 91 | Q | 42.7 | Very low | 45.1 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -107.8 | 151.5 | -167.9 | -167.2 | 72.9 | -12.6 | 0 | 0 | 113.1 | ||||
| 92 | G | 45.9 | Very low | 45.3 | Very low | 62 Ų | 62 | 135.2 Ų | 135.2 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | 177.1 | 123.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 93 | S | 47.6 | Very low | 45.6 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | cis | 66.5 | 129.7 | 25.6 | 129.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 94 | V | 46.8 | Very low | 45.7 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | cis | -164.2 | 168.5 | -1.1 | 79.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 95 | D | 48.8 | Very low | 45.6 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | cis | -159.8 | -165.9 | 20.8 | -151.7 | -11.2 | 0 | 0 | 0 | 113.2 | ||||
| 96 | K | 45.8 | Very low | 45 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -49.3 | 155.2 | 179.1 | -55 | 130.1 | -170.5 | 124.5 | 0 | 120.6 | ||||
| 97 | A | 41.7 | Very low | 45 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | -172.8 | 141.2 | 119.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 98 | L | 45 | Very low | 44.5 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | cis | 61 | 128.8 | 39.2 | -71.4 | 159.9 | 0 | 0 | 0 | 113 | ||||
| 99 | S | 42.1 | Very low | 44.2 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -151.5 | -177.8 | 12.4 | -119.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 100 | P | 45.3 | Very low | 43.9 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -98.7 | -175.1 | -172 | 40.5 | -37.1 | 0 | 0 | 0 | 115.2 | ||||
| 101 | E | 39.1 | Very low | 43.6 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | 140.7 | 145.1 | 129.6 | -154.8 | 170 | 163.7 | 0 | 0 | 116.9 | |||||
| 102 | S | 44.4 | Very low | 43.6 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | 34.4 | 121.5 | 158.2 | 64.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 103 | N | 46.2 | Very low | 43.4 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | -178.7 | 117.7 | 110.3 | 45.2 | 25.6 | 0 | 0 | 0 | 111.9 | |||||
| 104 | E | 43.1 | Very low | 43 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | 70.6 | 111.9 | 96.5 | -66.9 | -162.6 | 133.7 | 0 | 0 | 117.6 | |||||
| 105 | A | 37.4 | Very low | 42.6 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | 178.8 | 104.5 | 132.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 106 | P | 40.9 | Very low | 42.2 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -93.2 | 155 | 167.6 | 36.4 | -32.5 | 0 | 0 | 0 | 111.8 | ||||
| 107 | L | 45.2 | Very low | 41.6 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -176.5 | 103.1 | 154.1 | -107.4 | 163.8 | 0 | 0 | 0 | 112.6 | ||||
| 108 | N | 40.9 | Very low | 41.3 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | 173.2 | 154.6 | 116.1 | -89.5 | -49.5 | 0 | 0 | 0 | 112.7 | |||||
| 109 | P | 44.6 | Very low | 41 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 170.9 | -164.6 | 38.1 | -36.8 | 0 | 0 | 0 | 114.6 | ||
| 110 | P | 38.2 | Very low | 40.7 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 158 | -172.3 | 32.4 | -37.4 | 0 | 0 | 0 | 114.4 | ||
| 111 | I | 43.9 | Very low | 40.2 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 131.2 | 170.2 | -23.7 | 177.7 | 0 | 0 | 0 | 108.8 | ||
| 112 | S | 42.4 | Very low | 40.1 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 127.2 | -175.1 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 113 | E | 41.8 | Very low | 39.5 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | trans | -114.4 | 64.4 | 164.8 | -68.9 | -163.6 | 138.6 | 0 | 0 | 110.9 | K115 | E113-K115 PolarHBondContact O-N 2.94Š| ||
| 114 | D | 39.7 | Very low | 39.1 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | trans | -84.2 | 97.1 | 173.3 | -119.8 | -24.8 | 0 | 0 | 0 | 110.3 | ||||
| 115 | K | 39 | Very low | 38.9 | Very low | 193 Ų | 193 | 149 Ų | 149 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -171.3 | 158.1 | 156 | -109.8 | 155.7 | -173 | 174.3 | 0 | 113 | E113 | E113-K115 PolarHBondContact O-N 2.94Š| ||
| 116 | L | 38.5 | Very low | 39 | Very low | 155 Ų | 155 | 151 Ų | 151 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | 74.3 | 44.1 | 176.7 | -48.4 | -174.6 | 0 | 0 | 0 | 116.8 | ||||
| 117 | Q | 33.9 | Very low | 38.9 | Very low | 202 Ų | 202 | 153 Ų | 153 | 94% | 0.944 | 81% | 0.812 | S | S | * | * | trans | -122.4 | 65.4 | 147.5 | -74.7 | -159.5 | -13.5 | 0 | 0 | 110.6 | ||||
| 118 | S | 36.7 | Very low | 38.5 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -155.5 | 27.8 | -177.7 | 67.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 119 | E | 37.6 | Very low | 38.3 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -160.4 | 133.1 | 174.8 | -102 | 166.4 | -166.1 | 0 | 0 | 107.7 | ||
| 120 | L | 36 | Very low | 38.1 | Very low | 137 Ų | 137 | 155 Ų | 155 | 72% | 0.717 | 83% | 0.825 | S | S | * | * | cis | -133.7 | 123.6 | -6.8 | -79.3 | 164.4 | 0 | 0 | 0 | 109.3 | Y122 | L120-Y122 HydrophobicContact CD2-CD2 4.08Š| ||
| 121 | N | 35.8 | Very low | 38.3 | Very low | 171 Ų | 171 | 153.2 Ų | 153.2 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -105.1 | 80.6 | 168.5 | -140.3 | 7.4 | 0 | 0 | 0 | 108.1 | ||||
| 122 | Y | 37 | Very low | 38.1 | Very low | 202 Ų | 202 | 156.6 Ų | 156.6 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -137.8 | 111.9 | 178.8 | -88.9 | -77.2 | 0 | 0 | 0 | 111.3 | L120 | L120-Y122 HydrophobicContact CD2-CD2 4.08Š| ||
| 123 | G | 31.6 | Very low | 37.8 | Very low | 80 Ų | 80 | 159 Ų | 159 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -99.7 | 119 | 162 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 124 | L | 37 | Very low | 37.7 | Very low | 153 Ų | 153 | 153.5 Ų | 153.5 | 80% | 0.801 | 82% | 0.819 | S | S | * | * | trans | -155.6 | 100.4 | 168.9 | -142.2 | 148.2 | 0 | 0 | 0 | 107.1 | ||||
| 125 | H | 39.3 | Very low | 37.8 | Very low | 161 Ų | 161 | 150.4 Ų | 150.4 | 75% | 0.745 | 82% | 0.815 | S | S | * | * | 65.5 | 87 | 94.4 | -117 | -65.8 | 0 | 0 | 0 | 114.9 | |||||
| 126 | D | 38.3 | Very low | 38.1 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | 70.1 | 171.5 | 128.4 | -147.6 | -3.1 | 0 | 0 | 0 | 120.1 | |||||
| 127 | I | 39.6 | Very low | 38.3 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | 76.8 | 117.2 | 178.3 | -49.7 | 170.6 | 0 | 0 | 0 | 115.1 | ||||
| 128 | G | 37 | Very low | 39.2 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 168.5 | 54.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 129 | Q | 36.7 | Very low | 39.6 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -99.8 | 104.9 | -173.6 | -179.3 | -170.5 | 22.9 | 0 | 0 | 113.2 | ||||
| 130 | E | 41 | Very low | 39.9 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -154.2 | 104.2 | 166.6 | -98.4 | 166 | -128.4 | 0 | 0 | 107.9 | ||||
| 131 | S | 41.6 | Very low | 40.5 | Very low | 91 Ų | 91 | 150.5 Ų | 150.5 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | 66.4 | 89.4 | 56.4 | -179.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 132 | W | 40.6 | Very low | 40.9 | Very low | 247 Ų | 247 | 147.5 Ų | 147.5 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -150.2 | 147.1 | 144.4 | -87.7 | 97.3 | 0 | 0 | 0 | 110.3 | ||||
| 133 | N | 35 | Very low | 41.7 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -98.5 | 152.9 | -162.6 | -58.4 | -53.2 | 0 | 0 | 0 | 114.5 | ||||
| 134 | G | 40.1 | Very low | 42.5 | Very low | 84 Ų | 84 | 153 Ų | 153 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -151.1 | 108.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 135 | A | 41.3 | Very low | 43.3 | Very low | 90 Ų | 90 | 152.9 Ų | 152.9 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -103.3 | 144.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 136 | H | 44.8 | Very low | 43.9 | Very low | 177 Ų | 177 | 154.3 Ų | 154.3 | 82% | 0.819 | 81% | 0.812 | S | S | * | * | trans | -159.7 | 122.1 | 147 | -132.6 | -68.2 | 0 | 0 | 0 | 110.1 | ||||
| 137 | D | 44.4 | Very low | 44.3 | Very low | 138 Ų | 138 | 155.2 Ų | 155.2 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -79.1 | 157.4 | 178.3 | -49.8 | -77.6 | 0 | 0 | 0 | 112.3 | ||||
| 138 | F | 51 | Low | 44.7 | Very low | 182 Ų | 182 | 154.5 Ų | 154.5 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | trans | -165.8 | 126.1 | 139.7 | -97.3 | -62.1 | 0 | 0 | 0 | 112.9 | ||||
| 139 | D | 46.8 | Very low | 45.1 | Very low | 130 Ų | 130 | 159 Ų | 159 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | trans | 45.2 | 101.5 | 151.5 | -57.3 | -7 | 0 | 0 | 0 | 123.1 | ||||
| 140 | E | 43.4 | Very low | 45.6 | Very low | 181 Ų | 181 | 155.3 Ų | 155.3 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | 46.4 | 102.4 | 107.1 | -169.5 | 178 | -127.5 | 0 | 0 | 119.6 | |||||
| 141 | N | 48.5 | Very low | 45.8 | Very low | 162 Ų | 162 | 152.9 Ų | 152.9 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | -159.1 | 142.9 | 120.9 | 34.4 | 92.5 | 0 | 0 | 0 | 111.2 | |||||
| 142 | S | 44.6 | Very low | 45.7 | Very low | 108 Ų | 108 | 156 Ų | 156 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -122.1 | 151.8 | -178.2 | 55 | 0 | 0 | 0 | 0 | 112 | ||||
| 143 | Y | 53.6 | Low | 46.2 | Very low | 236 Ų | 236 | 149.7 Ų | 149.7 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -146.9 | 132.9 | 161.7 | -111.8 | -90.1 | 0 | 0 | 0 | 108.2 | ||||
| 144 | E | 47.2 | Very low | 46.6 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -111.1 | 173.8 | 179.4 | -73.8 | -77.6 | -174.3 | 0 | 0 | 110.2 | ||||
| 145 | D | 53.5 | Low | 47 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | 67.4 | 145.2 | 172.4 | -59.5 | -42.6 | 0 | 0 | 0 | 116.3 | ||||
| 146 | E | 53.2 | Low | 47.3 | Very low | 191 Ų | 191 | 155.9 Ų | 155.9 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | cis | -125.6 | 166.4 | 20.6 | -76.7 | -171.5 | 148.8 | 0 | 0 | 115.9 | ||||
| 147 | E | 46.4 | Very low | 47.4 | Very low | 161 Ų | 161 | 157 Ų | 157 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -86.2 | 141.9 | 178.5 | 179 | -179 | -154.1 | 0 | 0 | 113.3 | ||||
| 148 | T | 48 | Very low | 47.4 | Very low | 149 Ų | 149 | 159.7 Ų | 159.7 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | trans | -158.7 | 148.2 | 147.1 | 0.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 149 | K | 45.5 | Very low | 46.9 | Very low | 175 Ų | 175 | 156.7 Ų | 156.7 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | -143.7 | 152.7 | -161.9 | -169.7 | 175.5 | -173.7 | 171.4 | 0 | 112.3 | ||||
| 150 | S | 47.8 | Very low | 46.7 | Very low | 111 Ų | 111 | 160 Ų | 160 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | 70 | 159.7 | 174.5 | 80.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 151 | V | 44.4 | Very low | 46.6 | Very low | 134 Ų | 134 | 157.2 Ų | 157.2 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | cis | -129.3 | 154.9 | 8.8 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 152 | E | 39.7 | Very low | 46.3 | Very low | 157 Ų | 157 | 156.8 Ų | 156.8 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -83 | 140.4 | 174.5 | 179.3 | -179 | -167.8 | 0 | 0 | 112.7 | N154 | E152-N154 PolarHBondContact OE1-ND2 3.39Å; E152-N154 VanDerWaalsContact OE1-ND2 3.1Å | ||
| 153 | S | 51.3 | Low | 46.2 | Very low | 114 Ų | 114 | 156.5 Ų | 156.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -146.6 | 111.2 | 167.2 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 154 | N | 42.2 | Very low | 45.7 | Very low | 130 Ų | 130 | 153.4 Ų | 153.4 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | trans | -95.3 | 137.9 | 167.4 | -63.3 | -71 | 0 | 0 | 0 | 109 | E152 | E152-N154 PolarHBondContact OE1-ND2 3.39Å; E152-N154 VanDerWaalsContact OE1-ND2 3.1Å | ||
| 155 | D | 48.6 | Very low | 45.2 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | trans | -156.9 | 144.6 | 158.8 | -119.3 | -30.4 | 0 | 0 | 0 | 110.6 | ||||
| 156 | D | 47.7 | Very low | 44.6 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -83.6 | 135.4 | -166.7 | -76.3 | -65 | 0 | 0 | 0 | 114.5 | ||||
| 157 | Q | 46.5 | Very low | 44 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | -156.3 | 138.6 | 139.3 | -119.5 | 164.1 | 55.7 | 0 | 0 | 116 | ||||
| 158 | K | 45.4 | Very low | 43.7 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 144.1 | -174.3 | -166.9 | 172.9 | -178.4 | 173.9 | 0 | 111.1 | ||
| 159 | P | 41.5 | Very low | 43.4 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67 | 149 | -170.1 | 25.7 | -36.2 | 0 | 0 | 0 | 114 | ||
| 160 | K | 42.7 | Very low | 43 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 121.6 | -176.2 | -158.5 | 172.8 | -171.6 | 176.4 | 0 | 110.9 | ||
| 161 | V | 39.3 | Very low | 42.3 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 137.7 | 171.6 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 162 | I | 43.4 | Very low | 42 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -119.1 | 101.2 | 165.4 | -57.2 | 178 | 0 | 0 | 0 | 107.4 | ||||
| 163 | S | 42.3 | Very low | 41.7 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -107.1 | 121.5 | 162.8 | 51.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 164 | L | 42.4 | Very low | 40.9 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -120.1 | 133.2 | 161.6 | -79 | 171.9 | 0 | 0 | 0 | 106.8 | ||||
| 165 | D | 36.7 | Very low | 40.4 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -117.2 | -176.4 | -172.4 | -144.7 | -22.8 | 0 | 0 | 0 | 109.7 | ||||
| 166 | D | 42.3 | Very low | 39.7 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 76.1 | 137.3 | 166 | -63.6 | -38.7 | 0 | 0 | 0 | 120.2 | ||||
| 167 | D | 39.8 | Very low | 39.2 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 65.8 | 101.2 | 154.5 | -65.9 | -20.3 | 0 | 0 | 0 | 122.5 | ||||
| 168 | S | 39.5 | Very low | 38.5 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -72.2 | 165.6 | 157.2 | -158.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 169 | P | 42.1 | Very low | 38.2 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | -143.7 | 171.4 | 95.4 | 37.8 | -23.5 | 0 | 0 | 0 | 115.3 | |||||
| 170 | S | 36.6 | Very low | 38.1 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -81.5 | 136.3 | -179.7 | 51 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 171 | Y | 34.7 | Very low | 37.9 | Very low | 209 Ų | 209 | 144.4 Ų | 144.4 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | trans | -91.3 | 103.1 | 169.1 | -74.5 | -83.7 | 0 | 0 | 0 | 110.9 | ||||
| 172 | Q | 37.2 | Very low | 38 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -75.2 | 135.5 | 155.8 | -66.7 | -174.9 | -0.3 | 0 | 0 | 109 | ||||
| 173 | I | 33.3 | Very low | 37.8 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -126 | 105.2 | 170.1 | -63.2 | -177.9 | 0 | 0 | 0 | 108.6 | ||||
| 174 | S | 35.3 | Very low | 37.7 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -63.2 | 154.5 | 163.4 | -140.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 175 | S | 30.7 | Very low | 37.3 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | cis | 145.1 | -26.3 | 20.7 | 169 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 176 | N | 34.9 | Very low | 37.6 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -165 | 93.6 | -167.7 | 44.2 | -21 | 0 | 0 | 0 | 113.7 | ||||
| 177 | E | 37.3 | Very low | 37.6 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -109.6 | 121.5 | 150.2 | -74.7 | -172.6 | 136.4 | 0 | 0 | 107.9 | ||||
| 178 | N | 31.8 | Very low | 38 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | -93.9 | 144 | 164.5 | 90.3 | 81 | 0 | 0 | 0 | 108.5 | ||||
| 179 | L | 39 | Very low | 37.9 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -138.5 | 81.8 | 164 | -73.7 | 178.1 | 0 | 0 | 0 | 108.3 | ||||
| 180 | N | 38.4 | Very low | 38.1 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -70.8 | 118.8 | 155 | -80 | -0.7 | 0 | 0 | 0 | 108 | ||||
| 181 | E | 38.4 | Very low | 38.3 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | 168.4 | 95.6 | 145.8 | -178.8 | 164.6 | -133.8 | 0 | 0 | 109 | ||||
| 182 | F | 43 | Very low | 38.7 | Very low | 216 Ų | 216 | 147.9 Ų | 147.9 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -165.6 | 67.1 | 151.7 | -96.9 | -60.3 | 0 | 0 | 0 | 107.2 | ||||
| 183 | D | 37.5 | Very low | 38.8 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -79.2 | 141.3 | 166.9 | -152.7 | -9 | 0 | 0 | 0 | 108.6 | ||||
| 184 | G | 41.3 | Very low | 39 | Very low | 63 Ų | 63 | 147.2 Ų | 147.2 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | trans | -179.8 | 75.1 | -161.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V186 | G184-V186 PolarHBondContact O-N 3.01Å; G184-V186 VanDerWaalsContact O-N 3.15Å | ||
| 185 | D | 34.8 | Very low | 39 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | -56.6 | 111.8 | 176.9 | -85.4 | -47.4 | 0 | 0 | 0 | 113.2 | ||||
| 186 | V | 42.1 | Very low | 39 | Very low | 136 Ų | 136 | 154.7 Ų | 154.7 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | trans | -131.4 | 90.1 | 156.2 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | G184 E188 | G184-V186 PolarHBondContact O-N 3.01Å; G184-V186 VanDerWaalsContact O-N 3.15Å; V186-E188 PolarHBondContact O-N 2.96Å | ||
| 187 | S | 41.5 | Very low | 38.8 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -78.2 | 103.5 | 174.1 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 188 | E | 49.4 | Very low | 38.3 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -137.5 | 128.7 | 160.5 | -155.6 | 166.9 | -132 | 0 | 0 | 110.4 | V186 P190 | V186-E188 PolarHBondContact O-N 2.96Å; E188-P190 WeakPolarHBondContact O-CD 3.41Å | ||
| 189 | K | 36.1 | Very low | 38 | Very low | 180 Ų | 180 | 151 Ų | 151 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -104.5 | 104.5 | -166.7 | 177.5 | -176.4 | 174.2 | -178.1 | 0 | 110 | N191 | K189-N191 PolarHBondContact O-N 3.13Š| ||
| 190 | P | 46.9 | Very low | 37.5 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -72 | 125.6 | 175.6 | 29 | -33.2 | 0 | 0 | 0 | 110.3 | E188 | E188-P190 WeakPolarHBondContact O-CD 3.41Š| ||
| 191 | N | 40.9 | Very low | 36.9 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | -69.5 | 133.6 | 170.8 | -80.6 | -15.9 | 0 | 0 | 0 | 110.3 | K189 | K189-N191 PolarHBondContact O-N 3.13Š| ||
| 192 | S | 42.2 | Very low | 36.5 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -80.2 | 113.1 | 163 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 193 | D | 40.3 | Very low | 35.7 | Very low | 161 Ų | 161 | 146 Ų | 146 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -167.6 | -35 | 158.2 | -98.8 | -32.4 | 0 | 0 | 0 | 113.7 | L195 | D193-L195 VanDerWaalsContact C-N 3.26Å; D193-L195 PolarHBondContact O-N 3.24Å | ||
| 194 | D | 38.2 | Very low | 35.3 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -80.1 | 28 | -168.9 | -87.8 | -40.9 | 0 | 0 | 0 | 116.9 | K196 | D194-K196 PolarHBondContact O-N 3.47Š| ||
| 195 | L | 34.2 | Very low | 34.6 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | -77.1 | 64.5 | 172.7 | -83.5 | 173.6 | 0 | 0 | 0 | 112 | D193 | D193-L195 VanDerWaalsContact C-N 3.26Å; D193-L195 PolarHBondContact O-N 3.24Å | ||
| 196 | K | 31.7 | Very low | 34.3 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -103.8 | 124.8 | 179.7 | -130.2 | 164 | -170.7 | 164.6 | 0 | 112.6 | D194 | D194-K196 PolarHBondContact O-N 3.47Š| ||
| 197 | S | 28.9 | Very low | 33.6 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | -42.1 | 126 | -171.6 | 55.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 198 | N | 27.4 | Very low | 33 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | trans | -125.5 | 83.1 | 157.6 | -94.6 | -45.8 | 0 | 0 | 0 | 109.6 | V200 | N198-V200 PolarHBondContact O-N 3.21Å; N198-V200 VanDerWaalsContact O-N 3.09Å | ||
| 199 | I | 26.4 | Very low | 32 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | trans | -79.1 | 89.4 | 175.7 | -58.6 | 177.1 | 0 | 0 | 0 | 108.3 | ||||
| 200 | V | 28.6 | Very low | 31.7 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 54% | 0.539 | 69% | 0.685 | S | S | . | * | trans | -92.8 | 105.1 | 177.6 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | N198 H202 | N198-V200 PolarHBondContact O-N 3.21Å; N198-V200 VanDerWaalsContact O-N 3.09Å; V200-H202 WeakPolarHBondContact CG1-CE1 3.4Å; V200-H202 PolarHBondContact O-N 3.45Å | ||
| 201 | H | 25.6 | Very low | 30.7 | Very low | 171 Ų | 171 | 127.1 Ų | 127.1 | 79% | 0.792 | 68% | 0.684 | S | S | * | * | trans | -64.5 | 119 | 169.2 | -76.3 | -97.2 | 0 | 0 | 0 | 109.8 | ||||
| 202 | H | 28.8 | Very low | 30.1 | Very low | 151 Ų | 151 | 125.4 Ų | 125.4 | 70% | 0.699 | 67% | 0.674 | S | S | * | * | trans | -115.9 | 118.7 | 176.6 | -76 | -49.2 | 0 | 0 | 0 | 110.6 | V200 L204 | V200-H202 WeakPolarHBondContact CG1-CE1 3.4Å; V200-H202 PolarHBondContact O-N 3.45Å; H202-L204 PolarHBondContact O-N 2.93Å | ||
| 203 | H | 26.5 | Very low | 29.4 | Very low | 192 Ų | 192 | 128.4 Ų | 128.4 | 89% | 0.889 | 68% | 0.676 | S | S | * | * | trans | -61.2 | 131.9 | 174.3 | -84.1 | -97.4 | 0 | 0 | 0 | 111.7 | ||||
| 204 | L | 29.5 | Very low | 28.8 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 55% | 0.55 | 66% | 0.664 | S | S | . | * | trans | -76.1 | 139.9 | 161.6 | -178.2 | 61.4 | 0 | 0 | 0 | 108.7 | H202 I206 | H202-L204 PolarHBondContact O-N 2.93Å; L204-I206 HydrophobicContact CD2-CD1 4.02Å; L204-I206 HydrophobicContact CD2-CG1 4.27Å; L204-I206 HydrophobicContact CG-CD1 4.39Å; L204-I206 HydrophobicContact CG-CG1 4.1Å | ||
| 205 | F | 27.2 | Very low | 28.4 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 76% | 0.763 | 66% | 0.661 | S | S | * | * | trans | -129.8 | 120.6 | 174.5 | -161.1 | -87.2 | 0 | 0 | 0 | 108 | ||||
| 206 | I | 28.8 | Very low | 28.3 | Very low | 55 Ų | 55 | 130.2 Ų | 130.2 | 28% | 0.282 | 66% | 0.66 | S | S | . | * | trans | -118.6 | 124.6 | 178.4 | -57.1 | 172.5 | 0 | 0 | 0 | 106.8 | L204 | L204-I206 HydrophobicContact CD2-CD1 4.02Å; L204-I206 HydrophobicContact CD2-CG1 4.27Å; L204-I206 HydrophobicContact CG-CD1 4.39Å; L204-I206 HydrophobicContact CG-CG1 4.1Å | ||
| 207 | S | 26.3 | Very low | 28.2 | Very low | 64 Ų | 64 | 126 Ų | 126 | 45% | 0.448 | 65% | 0.652 | S | S | . | * | trans | -108.7 | 124.7 | 168.1 | 48.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 208 | S | 29.6 | Very low | 28.4 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | trans | -95.8 | 138.8 | 164.8 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 209 | G | 29.1 | Very low | 28.6 | Very low | 38 Ų | 38 | 121.5 Ų | 121.5 | 39% | 0.392 | 62% | 0.623 | S | S | . | * | trans | -139.1 | 120.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 210 | F | 28.1 | Very low | 29.5 | Very low | 101 Ų | 101 | 117.3 Ų | 117.3 | 44% | 0.443 | 60% | 0.602 | S | S | . | * | trans | -115.8 | 142.5 | -174.9 | -50.6 | -75.4 | 0 | 0 | 0 | 110.1 | K221 V222 | F210-K221 WeakPolarHBondContact CD1-O 3.46Å; F210-V222 HydrophobicContact CE1-CG1 4.46Å; F210-V222 HydrophobicContact CE1-CG2 4.28Å | ||
| 211 | C | 26.8 | Very low | 30.1 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | trans | -126 | 123.9 | 170.7 | -56.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 212 | I | 28.1 | Very low | 30.8 | Very low | 111 Ų | 111 | 111.3 Ų | 111.3 | 57% | 0.569 | 57% | 0.57 | S | S | * | * | trans | -102.4 | 118.3 | 176.7 | -54.3 | 175.1 | 0 | 0 | 0 | 107.2 | Y214 | I212-Y214 HydrophobicContact CG2-CD2 3.73Å; I212-Y214 HydrophobicContact CG2-CE2 3.61Å | ||
| 213 | Q | 28.3 | Very low | 31.3 | Very low | 171 Ų | 171 | 105.5 Ų | 105.5 | 80% | 0.799 | 54% | 0.544 | S | S | * | . | trans | -115.5 | 113.9 | 174.7 | -167.4 | 171.2 | 8.2 | 0 | 0 | 109.2 | E215 | Q213-E215 PolarHBondContact O-N 3.41Å; Q213-E215 VanDerWaalsContact O-N 3.15Å | ||
| 214 | Y | 27.5 | Very low | 31.8 | Very low | 159 Ų | 159 | 98.8 Ų | 98.8 | 62% | 0.624 | 51% | 0.514 | S | S | * | . | trans | -86.8 | 72 | -175.3 | -94.8 | -84.9 | 0 | 0 | 0 | 112.1 | Q16 I212 | Q16-Y214 PolarHBondContact NE2-OH 3.17Å; I212-Y214 HydrophobicContact CG2-CD2 3.73Å; I212-Y214 HydrophobicContact CG2-CE2 3.61Å | ||
| 215 | E | 29.6 | Very low | 32.2 | Very low | 170 Ų | 170 | 95.7 Ų | 95.7 | 79% | 0.794 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -157.1 | 121.6 | 155.5 | -122.9 | -179.8 | 160.7 | 0 | 0 | 113 | Q213 C217 | Q213-E215 PolarHBondContact O-N 3.41Å; Q213-E215 VanDerWaalsContact O-N 3.15Å; E215-C217 PolarHBondContact O-N 3.39Å |
| 216 | K | 32.7 | Very low | 32.7 | Very low | 215 Ų | 215 | 91.1 Ų | 91.1 | 94% | 0.935 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 46.8 | -4.6 | 170.4 | -83.9 | 176.2 | 175.5 | 170.3 | 0 | 120.9 | ||
| 217 | C | 29.3 | Very low | 32.7 | Very low | 95 Ų | 95 | 90.3 Ų | 90.3 | 64% | 0.642 | 49% | 0.49 | S | S | * | . | trans | -148.4 | 100 | 176.4 | -91.6 | 0 | 0 | 0 | 0 | 111.9 | E215 L219 | E215-C217 PolarHBondContact O-N 3.39Å; C217-L219 PolarHBondContact O-N 3.22Å; C217-L219 VanDerWaalsContact O-N 3.1Å | ||
| 218 | V | 31.7 | Very low | 33 | Very low | 76 Ų | 76 | 96.7 Ų | 96.7 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | trans | -74 | 103.1 | 173.6 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 219 | L | 32.9 | Very low | 33 | Very low | 81 Ų | 81 | 98.1 Ų | 98.1 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 82.6 | -176.1 | -159.4 | 165.2 | 0 | 0 | 0 | 109.5 | C217 K221 K242 | C217-L219 PolarHBondContact O-N 3.22Å; C217-L219 VanDerWaalsContact O-N 3.1Å; L219-K221 PolarHBondContact O-N 3.46Å; L219-K221 VanDerWaalsContact O-N 3.07Å; L219-K242 HydrophobicContact CG-CG 4.31Å |
| 220 | N | 44.3 | Very low | 33.1 | Very low | 58 Ų | 58 | 107 Ų | 107 | 31% | 0.31 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 101.7 | -179.9 | -77.1 | -7.1 | 0 | 0 | 0 | 110.1 | L241 | N220-L241 HydrophobicContact CB-CB 4.48Å; N220-L241 PolarHBondContact N-O 3.38Å; N220-L241 VanDerWaalsContact N-O 3.16Å; N220-L241 PolarHBondContact O-N 3.47Å |
| 221 | K | 42.5 | Very low | 33.4 | Very low | 87 Ų | 87 | 110.6 Ų | 110.6 | 38% | 0.378 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.2 | 169.3 | -172.8 | -171.9 | -178.8 | -168.2 | 0 | 109.2 | F210 L219 I223 I238 | F210-K221 WeakPolarHBondContact CD1-O 3.46Å; L219-K221 PolarHBondContact O-N 3.46Å; L219-K221 VanDerWaalsContact O-N 3.07Å; K221-I223 HydrophobicContact CD-CD1 4.47Å; K221-I223 HydrophobicContact CD-CG1 4.33Å; K221-I223 HydrophobicContact CG-CG1 4.3Å; K221-I238 HydrophobicContact CG-CG2 4.08Å |
| 222 | V | 38.9 | Very low | 33.5 | Very low | 47 Ų | 47 | 108.3 Ų | 108.3 | 29% | 0.285 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 106.2 | 173.8 | -173.6 | 0 | 0 | 0 | 0 | 107.9 | F210 F239 L241 | F210-V222 HydrophobicContact CE1-CG1 4.46Å; F210-V222 HydrophobicContact CE1-CG2 4.28Å; V222-F239 CarbonylContact C-O 3.57Å; V222-F239 HydrophobicContact CB-CB 4.39Å; V222-F239 PolarHBondContact N-O 2.96Å; V222-F239 WeakPolarHBondContact O-CA 3.45Å; V222-F239 WeakPolarHBondContact O-CB 3.34Å; V222-F239 PolarHBondContact O-N 2.83Å; V222-F239 VanDerWaalsContact O-O 3.04Å; V222-L241 HydrophobicContact CG2-CD1 4.19Å |
| 223 | I | 39.9 | Very low | 33.9 | Very low | 28 Ų | 28 | 104.8 Ų | 104.8 | 14% | 0.144 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.2 | 173.7 | -52.3 | 174.8 | 0 | 0 | 0 | 107.8 | K221 I225 E236 | K221-I223 HydrophobicContact CD-CD1 4.47Å; K221-I223 HydrophobicContact CD-CG1 4.33Å; K221-I223 HydrophobicContact CG-CG1 4.3Å; I223-I225 HydrophobicContact CG2-CG1 3.99Å; I223-E236 HydrophobicContact CG2-CG 3.97Å |
| 224 | L | 36.7 | Very low | 34.5 | Very low | 52 Ų | 52 | 101.1 Ų | 101.1 | 27% | 0.272 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 109.5 | 174 | -174.1 | 73.3 | 0 | 0 | 0 | 108.8 | T226 V237 F239 | L224-T226 VanDerWaalsContact C-N 3.33Å; L224-T226 HydrophobicContact CD2-CG2 4.26Å; L224-T226 HydrophobicContact CG-CG2 4.45Å; L224-T226 PolarHBondContact O-N 3.48Å; L224-T226 VanDerWaalsContact O-N 3.12Å; L224-V237 PolarHBondContact N-O 3.01Å; L224-V237 WeakPolarHBondContact O-CB 3.43Å; L224-V237 PolarHBondContact O-N 2.65Å; L224-F239 HydrophobicContact CB-CD2 3.9Å; L224-F239 HydrophobicContact CB-CE2 3.84Å; L224-F239 HydrophobicContact CD2-CE2 3.84Å; L224-F239 HydrophobicContact CG-CE2 4.48Å |
| 225 | I | 38.8 | Very low | 35 | Very low | 39 Ų | 39 | 96.2 Ų | 96.2 | 20% | 0.2 | 49% | 0.489 | C | S | . | . | trans | -89.8 | 72.4 | -179.7 | -49.8 | -178.7 | 0 | 0 | 0 | 109.5 | I223 G227 | I223-I225 HydrophobicContact CG2-CG1 3.99Å; I225-G227 PolarHBondContact O-N 3.46Å | ||
| 226 | T | 36 | Very low | 35.6 | Very low | 79 Ų | 79 | 90 Ų | 90 | 49% | 0.485 | 46% | 0.46 | S | S | . | . | trans | -79.8 | 103.2 | 175.6 | 7.6 | 0 | 0 | 0 | 0 | 110.9 | L224 | L224-T226 VanDerWaalsContact C-N 3.33Å; L224-T226 HydrophobicContact CD2-CG2 4.26Å; L224-T226 HydrophobicContact CG-CG2 4.45Å; L224-T226 PolarHBondContact O-N 3.48Å; L224-T226 VanDerWaalsContact O-N 3.12Å | ||
| 227 | G | 30 | Very low | 36 | Very low | 38 Ų | 38 | 80.6 Ų | 80.6 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | trans | -80.8 | 148.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I225 | I225-G227 PolarHBondContact O-N 3.46Š| ||
| 228 | R | 32.8 | Very low | 36.9 | Very low | 198 Ų | 198 | 76.9 Ų | 76.9 | 75% | 0.747 | 39% | 0.394 | S | S | * | . | trans | 66.2 | 76.5 | 176.4 | -66.7 | -173.8 | 170.9 | -179.2 | -2.1 | 116.4 | ||||
| 229 | L | 29.5 | Very low | 37.4 | Very low | 107 Ų | 107 | 75 Ų | 75 | 56% | 0.56 | 38% | 0.379 | S | S | * | . | trans | -64.7 | 162.9 | 136.8 | -74.9 | 165.4 | 0 | 0 | 0 | 109.9 | F231 Y235 | L229-F231 PolarHBondContact O-N 2.99Å; L229-Y235 HydrophobicContact CB-CD2 4.23Å; L229-Y235 HydrophobicContact CB-CE2 3.97Å; L229-Y235 HydrophobicContact CD1-CD2 3.95Å; L229-Y235 HydrophobicContact CD1-CE2 4Å; L229-Y235 HydrophobicContact CD1-CG 4.49Å; L229-Y235 HydrophobicContact CG-CD2 4.44Å | ||
| 230 | Y | 30.4 | Very low | 37.9 | Very low | 226 Ų | 226 | 72.3 Ų | 72.3 | 89% | 0.886 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 22.1 | -166 | -83.2 | -95.8 | 0 | 0 | 0 | 118.5 | ||
| 231 | F | 33.8 | Very low | 37.8 | Very low | 175 Ų | 175 | 72.8 Ų | 72.8 | 77% | 0.768 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | 20.6 | -176 | -65.9 | -77.2 | 0 | 0 | 0 | 114.4 | L229 A233 | L229-F231 PolarHBondContact O-N 2.99Å; F231-A233 PolarHBondContact O-N 2.88Å |
| 232 | G | 29.5 | Very low | 38 | Very low | 63 Ų | 63 | 74.6 Ų | 74.6 | 65% | 0.649 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 72.1 | -18.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 233 | A | 36.5 | Very low | 38.1 | Very low | 37 Ų | 37 | 76.2 Ų | 76.2 | 31% | 0.306 | 38% | 0.381 | S | S | . | . | trans | -63.9 | 143.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F231 Y235 | F231-A233 PolarHBondContact O-N 2.88Å; A233-Y235 HydrophobicContact CB-CD2 4.42Å; A233-Y235 HydrophobicContact CB-CE2 3.69Å | ||
| 234 | K | 41.1 | Very low | 38.6 | Very low | 94 Ų | 94 | 80.1 Ų | 80.1 | 41% | 0.409 | 40% | 0.402 | S | S | . | . | trans | -86.1 | 144.4 | 162.2 | -79.7 | -171.6 | 176 | -161.6 | 0 | 109 | Y265 | K234-Y265 HydrophobicContact CB-CD1 4.13Å; K234-Y265 HydrophobicContact CB-CG 4.05Å; K234-Y265 HydrophobicContact CD-CD1 4.01Å; K234-Y265 HydrophobicContact CD-CE1 4.3Å; K234-Y265 HydrophobicContact CD-CG 4.43Å; K234-Y265 WeakPolarHBondContact O-CB 3.28Å; K234-Y265 PolarHBondContact O-N 2.95Å | ||
| 235 | Y | 39.2 | Very low | 39.1 | Very low | 56 Ų | 56 | 81.5 Ų | 81.5 | 22% | 0.22 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141.3 | 173.3 | -66.4 | -88 | 0 | 0 | 0 | 109.9 | L229 A233 K263 | L229-Y235 HydrophobicContact CB-CD2 4.23Å; L229-Y235 HydrophobicContact CB-CE2 3.97Å; L229-Y235 HydrophobicContact CD1-CD2 3.95Å; L229-Y235 HydrophobicContact CD1-CE2 4Å; L229-Y235 HydrophobicContact CD1-CG 4.49Å; L229-Y235 HydrophobicContact CG-CD2 4.44Å; A233-Y235 HydrophobicContact CB-CD2 4.42Å; A233-Y235 HydrophobicContact CB-CE2 3.69Å; Y235-K263 VanDerWaalsContact CA-O 3.28Å; Y235-K263 WeakPolarHBondContact CA-O 3.48Å |
| 236 | E | 42 | Very low | 39.5 | Very low | 39 Ų | 39 | 83.7 Ų | 83.7 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.2 | 160.6 | -172.4 | -168.4 | -179.7 | 0 | 0 | 107.1 | I223 I238 C262 K263 | I223-E236 HydrophobicContact CG2-CG 3.97Å; E236-I238 HydrophobicContact CG-CG1 3.99Å; E236-I238 WeakPolarHBondContact OE1-CD1 3.46Å; E236-I238 WeakPolarHBondContact OE1-CG1 3.41Å; E236-C262 WeakPolarHBondContact O-CA 3.48Å; E236-K263 HydrophobicContact CB-CB 4.24Å; E236-K263 PolarHBondContact N-O 2.91Å; E236-K263 VanDerWaalsContact N-O 3.08Å; E236-K263 PolarHBondContact O-N 3.12Å; E236-K263 WeakPolarHBondContact OE2-CD 3.42Å; E236-K263 IonicContact OE2-NZ 3.54Å |
| 237 | V | 40.9 | Very low | 40 | Very low | 18 Ų | 18 | 84.7 Ų | 84.7 | 11% | 0.109 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 101.4 | 174.2 | -167.3 | 0 | 0 | 0 | 0 | 108.5 | L224 F239 I260 | L224-V237 PolarHBondContact N-O 3.01Å; L224-V237 WeakPolarHBondContact O-CB 3.43Å; L224-V237 PolarHBondContact O-N 2.65Å; V237-F239 HydrophobicContact CB-CE2 4.07Å; V237-F239 HydrophobicContact CG1-CD2 4.1Å; V237-F239 HydrophobicContact CG1-CE2 3.43Å; V237-F239 VanDerWaalsContact CG1-CE2 3.43Å; V237-F239 HydrophobicContact CG1-CZ 3.79Å; V237-I260 HydrophobicContact CG1-CG2 3.5Å; V237-I260 VanDerWaalsContact CG1-CG2 3.5Å |
| 238 | I | 46.8 | Very low | 40.5 | Very low | 16 Ų | 16 | 88.3 Ų | 88.3 | 8% | 0.082 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 118.5 | 177.9 | -52.9 | 173.8 | 0 | 0 | 0 | 108 | K221 E236 E259 I260 V261 | K221-I238 HydrophobicContact CG-CG2 4.08Å; E236-I238 HydrophobicContact CG-CG1 3.99Å; E236-I238 WeakPolarHBondContact OE1-CD1 3.46Å; E236-I238 WeakPolarHBondContact OE1-CG1 3.41Å; I238-E259 VanDerWaalsContact O-O 3.13Å; I238-I260 WeakPolarHBondContact O-CA 3.46Å; I238-V261 HydrophobicContact CB-CB 4.35Å; I238-V261 PolarHBondContact N-O 2.93Å; I238-V261 PolarHBondContact O-N 3.23Å |
| 239 | F | 43.2 | Very low | 40.9 | Very low | 36 Ų | 36 | 84.1 Ų | 84.1 | 16% | 0.158 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.6 | 167.5 | -66.4 | -95.1 | 0 | 0 | 0 | 108.9 | V222 L224 V237 V258 E259 I260 L327 | V222-F239 CarbonylContact C-O 3.57Å; V222-F239 HydrophobicContact CB-CB 4.39Å; V222-F239 PolarHBondContact N-O 2.96Å; V222-F239 WeakPolarHBondContact O-CA 3.45Å; V222-F239 WeakPolarHBondContact O-CB 3.34Å; V222-F239 PolarHBondContact O-N 2.83Å; V222-F239 VanDerWaalsContact O-O 3.04Å; L224-F239 HydrophobicContact CB-CD2 3.9Å; L224-F239 HydrophobicContact CB-CE2 3.84Å; L224-F239 HydrophobicContact CD2-CE2 3.84Å; L224-F239 HydrophobicContact CG-CE2 4.48Å; V237-F239 HydrophobicContact CB-CE2 4.07Å; V237-F239 HydrophobicContact CG1-CD2 4.1Å; V237-F239 HydrophobicContact CG1-CE2 3.43Å; V237-F239 VanDerWaalsContact CG1-CE2 3.43Å; V237-F239 HydrophobicContact CG1-CZ 3.79Å; F239-V258 HydrophobicContact CD1-CG1 3.85Å; F239-V258 HydrophobicContact CE1-CG1 4.37Å; F239-E259 WeakPolarHBondContact CA-O 3.4Å; F239-I260 HydrophobicContact CD1-CG1 4.13Å; F239-I260 HydrophobicContact CE1-CD1 3.9Å; F239-I260 HydrophobicContact CE1-CG1 3.89Å; F239-L327 HydrophobicContact CE1-CD2 4.4Å; F239-L327 HydrophobicContact CZ-CD2 4.49Å |
| 240 | S | 44 | Very low | 41.5 | Very low | 25 Ų | 25 | 83.9 Ų | 83.9 | 18% | 0.175 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.8 | 167.7 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | E259 | S240-E259 PolarHBondContact N-O 3.1Å; S240-E259 PolarHBondContact O-N 3.03Å |
| 241 | L | 41.3 | Very low | 42.3 | Very low | 68 Ų | 68 | 77.1 Ų | 77.1 | 36% | 0.356 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.1 | 174.6 | -70.2 | 165.6 | 0 | 0 | 0 | 108.6 | N220 V222 V256 V258 | N220-L241 HydrophobicContact CB-CB 4.48Å; N220-L241 PolarHBondContact N-O 3.38Å; N220-L241 VanDerWaalsContact N-O 3.16Å; N220-L241 PolarHBondContact O-N 3.47Å; V222-L241 HydrophobicContact CG2-CD1 4.19Å; L241-V256 HydrophobicContact CD2-CG1 3.51Å; L241-V258 HydrophobicContact CD2-CG2 3.97Å |
| 242 | K | 46.3 | Very low | 43 | Very low | 125 Ų | 125 | 69.9 Ų | 69.9 | 54% | 0.543 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.2 | 170.2 | -71.2 | -164.8 | 173.4 | -160.6 | 0 | 109.8 | L219 | L219-K242 HydrophobicContact CG-CG 4.31Å |
| 243 | F | 42.1 | Very low | 43.8 | Very low | 81 Ų | 81 | 72.8 Ų | 72.8 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | trans | -121.6 | 138.2 | 174.2 | -176.1 | -105.3 | 0 | 0 | 0 | 109.4 | P245 Y254 | F243-P245 HydrophobicContact CD1-CB 4.19Å; F243-P245 HydrophobicContact CE1-CB 3.81Å; F243-Y254 HydrophobicContact CD2-CD1 4.23Å; F243-Y254 AromaticContact CE2-CD1 3.4Å; F243-Y254 HydrophobicContact CE2-CD1 3.4Å; F243-Y254 HydrophobicContact CE2-CD2 4.15Å; F243-Y254 AromaticContact CE2-CE1 3.51Å; F243-Y254 HydrophobicContact CE2-CE1 3.51Å; F243-Y254 HydrophobicContact CE2-CE2 4.25Å; F243-Y254 AromaticContact CE2-CG 3.72Å; F243-Y254 HydrophobicContact CE2-CG 3.72Å; F243-Y254 AromaticContact CE2-CZ 3.95Å; F243-Y254 AromaticContact CZ-CD1 3.96Å; F243-Y254 HydrophobicContact CZ-CD1 3.96Å; F243-Y254 AromaticContact CZ-CE1 3.56Å; F243-Y254 HydrophobicContact CZ-CE1 3.56Å; F243-Y254 HydrophobicContact CZ-CE2 4.46Å; F243-Y254 AromaticContact CZ-CZ 3.84Å | ||
| 244 | N | 50.7 | Low | 44.1 | Very low | 111 Ų | 111 | 71.9 Ų | 71.9 | 59% | 0.594 | 39% | 0.39 | S | S | * | . | trans | -112.8 | 108.6 | 173.3 | -173.9 | 9.5 | 0 | 0 | 0 | 108.9 | S246 | N244-S246 PolarHBondContact ND2-OG 3.35Å; N244-S246 PolarHBondContact O-N 2.91Å; N244-S246 VanDerWaalsContact O-N 3.12Å; N244-S246 PolarHBondContact OD1-OG 2.91Å | ||
| 245 | P | 46.6 | Very low | 44 | Very low | 81 Ų | 81 | 72.5 Ų | 72.5 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | trans | -77.6 | 11.4 | -170.2 | 32 | -37.2 | 0 | 0 | 0 | 115.1 | F243 L247 | F243-P245 HydrophobicContact CD1-CB 4.19Å; F243-P245 HydrophobicContact CE1-CB 3.81Å; P245-L247 PolarHBondContact O-N 2.91Å; P245-L247 VanDerWaalsContact O-N 3.08Å | ||
| 246 | S | 47.8 | Very low | 44.1 | Very low | 84 Ų | 84 | 70.9 Ų | 70.9 | 59% | 0.587 | 40% | 0.4 | S | S | * | . | trans | -79.7 | 20.5 | -167.9 | 64.5 | 0 | 0 | 0 | 0 | 116.2 | N244 | N244-S246 PolarHBondContact ND2-OG 3.35Å; N244-S246 PolarHBondContact O-N 2.91Å; N244-S246 VanDerWaalsContact O-N 3.12Å; N244-S246 PolarHBondContact OD1-OG 2.91Å | ||
| 247 | L | 45.2 | Very low | 44.1 | Very low | 100 Ų | 100 | 72.4 Ų | 72.4 | 52% | 0.524 | 41% | 0.408 | S | S | . | . | trans | -140.2 | 81.3 | -176.9 | -71.4 | 171.9 | 0 | 0 | 0 | 110.8 | P245 V252 Y254 | P245-L247 PolarHBondContact O-N 2.91Å; P245-L247 VanDerWaalsContact O-N 3.08Å; L247-V252 HydrophobicContact CB-CG1 4.23Å; L247-V252 HydrophobicContact CB-CG2 4.31Å; L247-V252 HydrophobicContact CD1-CG1 4.01Å; L247-Y254 PolarHBondContact O-OH 3.36Å; L247-Y254 VanDerWaalsContact O-OH 3.14Å | ||
| 248 | S | 41.6 | Very low | 44.2 | Very low | 115 Ų | 115 | 72.3 Ų | 72.3 | 80% | 0.804 | 41% | 0.408 | S | S | * | . | trans | -101.3 | 38.7 | -167.3 | 66.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 249 | T | 39.5 | Very low | 44 | Very low | 109 Ų | 109 | 72.9 Ų | 72.9 | 67% | 0.669 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -147.4 | 128.6 | 176.5 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | V252 | T249-V252 WeakPolarHBondContact O-CG2 3.42Š|
| 250 | S | 43.8 | Very low | 43.9 | Very low | 102 Ų | 102 | 72.4 Ų | 72.4 | 71% | 0.713 | 41% | 0.409 | S | S | * | . | S | Bend | trans | 48.9 | 116.2 | 166.5 | 58.7 | 0 | 0 | 0 | 0 | 118.8 | V252 | S250-V252 WeakPolarHBondContact O-CG2 3.36Å; S250-V252 PolarHBondContact O-N 2.93Å |
| 251 | I | 46.3 | Very low | 44.2 | Very low | 84 Ų | 84 | 72.4 Ų | 72.4 | 43% | 0.431 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 29 | 70.6 | 163.8 | -47.3 | -178.2 | 0 | 0 | 0 | 113.7 | E290 | I251-E290 VanDerWaalsContact CG2-CD 3.48Å; I251-E290 HydrophobicContact CG2-CG 3.53Å |
| 252 | V | 48.8 | Very low | 44.2 | Very low | 23 Ų | 23 | 70.2 Ų | 70.2 | 14% | 0.139 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.4 | -178.3 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | L247 T249 S250 Y254 | L247-V252 HydrophobicContact CB-CG1 4.23Å; L247-V252 HydrophobicContact CB-CG2 4.31Å; L247-V252 HydrophobicContact CD1-CG1 4.01Å; T249-V252 WeakPolarHBondContact O-CG2 3.42Å; S250-V252 WeakPolarHBondContact O-CG2 3.36Å; S250-V252 PolarHBondContact O-N 2.93Å; V252-Y254 HydrophobicContact CB-CD2 4.19Å; V252-Y254 HydrophobicContact CB-CE1 4.26Å; V252-Y254 HydrophobicContact CB-CE2 3.63Å; V252-Y254 HydrophobicContact CG1-CD1 4.05Å; V252-Y254 HydrophobicContact CG1-CD2 4.2Å; V252-Y254 HydrophobicContact CG1-CE1 3.82Å; V252-Y254 HydrophobicContact CG1-CE2 3.96Å; V252-Y254 HydrophobicContact CG1-CG 4.25Å; V252-Y254 WeakPolarHBondContact O-CD2 3.44Å; V252-Y254 WeakPolarHBondContact O-CE2 3.42Å; V252-Y254 PolarHBondContact O-N 3.16Å |
| 253 | K | 46.8 | Very low | 44.4 | Very low | 124 Ų | 124 | 67.7 Ų | 67.7 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 100.3 | 167.1 | -74.4 | 170.1 | 177.4 | 166 | 0 | 109 | P255 E290 | K253-P255 WeakPolarHBondContact O-CD 3.03Å; K253-E290 WeakPolarHBondContact CE-OE1 3.33Å; K253-E290 HydrophobicContact CG-CB 4.34Å; K253-E290 HydrophobicContact CG-CG 4.48Å |
| 254 | Y | 42 | Very low | 44.5 | Very low | 19 Ų | 19 | 66 Ų | 66 | 8% | 0.075 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 125.7 | -178.8 | -68.2 | -82.5 | 0 | 0 | 0 | 111.4 | F243 L247 V252 V256 V289 L291 | F243-Y254 HydrophobicContact CD2-CD1 4.23Å; F243-Y254 AromaticContact CE2-CD1 3.4Å; F243-Y254 HydrophobicContact CE2-CD1 3.4Å; F243-Y254 HydrophobicContact CE2-CD2 4.15Å; F243-Y254 AromaticContact CE2-CE1 3.51Å; F243-Y254 HydrophobicContact CE2-CE1 3.51Å; F243-Y254 HydrophobicContact CE2-CE2 4.25Å; F243-Y254 AromaticContact CE2-CG 3.72Å; F243-Y254 HydrophobicContact CE2-CG 3.72Å; F243-Y254 AromaticContact CE2-CZ 3.95Å; F243-Y254 AromaticContact CZ-CD1 3.96Å; F243-Y254 HydrophobicContact CZ-CD1 3.96Å; F243-Y254 AromaticContact CZ-CE1 3.56Å; F243-Y254 HydrophobicContact CZ-CE1 3.56Å; F243-Y254 HydrophobicContact CZ-CE2 4.46Å; F243-Y254 AromaticContact CZ-CZ 3.84Å; L247-Y254 PolarHBondContact O-OH 3.36Å; L247-Y254 VanDerWaalsContact O-OH 3.14Å; V252-Y254 HydrophobicContact CB-CD2 4.19Å; V252-Y254 HydrophobicContact CB-CE1 4.26Å; V252-Y254 HydrophobicContact CB-CE2 3.63Å; V252-Y254 HydrophobicContact CG1-CD1 4.05Å; V252-Y254 HydrophobicContact CG1-CD2 4.2Å; V252-Y254 HydrophobicContact CG1-CE1 3.82Å; V252-Y254 HydrophobicContact CG1-CE2 3.96Å; V252-Y254 HydrophobicContact CG1-CG 4.25Å; V252-Y254 WeakPolarHBondContact O-CD2 3.44Å; V252-Y254 WeakPolarHBondContact O-CE2 3.42Å; V252-Y254 PolarHBondContact O-N 3.16Å; Y254-V256 PolarHBondContact O-N 3.08Å; Y254-V289 PolarHBondContact N-O 3.49Å; Y254-V289 PolarHBondContact O-N 3.11Å; Y254-L291 HydrophobicContact CD2-CB 4.37Å; Y254-L291 HydrophobicContact CD2-CD1 3.78Å; Y254-L291 HydrophobicContact CD2-CG 3.95Å; Y254-L291 HydrophobicContact CE2-CB 4.14Å; Y254-L291 HydrophobicContact CE2-CD1 3.71Å; Y254-L291 HydrophobicContact CE2-CG 4.09Å |
| 255 | P | 39.9 | Very low | 44.2 | Very low | 107 Ų | 107 | 66.6 Ų | 66.6 | 70% | 0.695 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 91.3 | 169.7 | 31.1 | -32.9 | 0 | 0 | 0 | 109.7 | K253 | K253-P255 WeakPolarHBondContact O-CD 3.03Å |
| 256 | V | 40.1 | Very low | 44.3 | Very low | 22 Ų | 22 | 67.9 Ų | 67.9 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.4 | 171.9 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | L241 Y254 V258 P286 L287 V289 | L241-V256 HydrophobicContact CD2-CG1 3.51Å; Y254-V256 PolarHBondContact O-N 3.08Å; V256-V258 HydrophobicContact CG1-CG2 4.04Å; V256-P286 CarbonylContact O-C 3.57Å; V256-L287 HydrophobicContact CB-CB 4.2Å; V256-L287 PolarHBondContact N-O 2.79Å; V256-L287 WeakPolarHBondContact O-CB 3.38Å; V256-L287 PolarHBondContact O-N 2.85Å; V256-V289 HydrophobicContact CB-CG2 4.36Å; V256-V289 HydrophobicContact CG2-CB 4.1Å; V256-V289 HydrophobicContact CG2-CG2 3.72Å |
| 257 | L | 42.2 | Very low | 44.1 | Very low | 70 Ų | 70 | 72.6 Ų | 72.6 | 37% | 0.366 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 111.7 | 169 | -171.4 | 146 | 0 | 0 | 0 | 108.8 | E259 R284 | L257-E259 HydrophobicContact CD2-CB 4.29Å; L257-R284 HydrophobicContact CD2-CG 4.22Å |
| 258 | V | 42.3 | Very low | 44 | Very low | 16 Ų | 16 | 73.9 Ų | 73.9 | 10% | 0.097 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 112.1 | 173.2 | 176.8 | 0 | 0 | 0 | 0 | 108.5 | F239 L241 V256 I260 R284 S285 L287 | F239-V258 HydrophobicContact CD1-CG1 3.85Å; F239-V258 HydrophobicContact CE1-CG1 4.37Å; L241-V258 HydrophobicContact CD2-CG2 3.97Å; V256-V258 HydrophobicContact CG1-CG2 4.04Å; V258-I260 HydrophobicContact CG1-CD1 4.41Å; V258-I260 HydrophobicContact CG1-CG1 3.83Å; V258-R284 WeakPolarHBondContact O-CA 3.46Å; V258-S285 PolarHBondContact N-O 3.38Å; V258-S285 PolarHBondContact O-N 2.92Å; V258-S285 VanDerWaalsContact O-N 3.1Å; V258-L287 HydrophobicContact CG2-CD1 3.65Å |
| 259 | E | 43.3 | Very low | 43.9 | Very low | 28 Ų | 28 | 74.5 Ų | 74.5 | 13% | 0.131 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 122.6 | 166.4 | -173.5 | 170.4 | 133.6 | 0 | 0 | 109.5 | I238 F239 S240 L257 V261 K282 F283 R284 | I238-E259 VanDerWaalsContact O-O 3.13Å; F239-E259 WeakPolarHBondContact CA-O 3.4Å; S240-E259 PolarHBondContact N-O 3.1Å; S240-E259 PolarHBondContact O-N 3.03Å; L257-E259 HydrophobicContact CD2-CB 4.29Å; E259-V261 HydrophobicContact CG-CG2 4.18Å; E259-K282 HydrophobicContact CG-CG 4.26Å; E259-K282 WeakPolarHBondContact OE1-CE 3.46Å; E259-K282 IonicContact OE1-NZ 2.66Å; E259-K282 PolarHBondContact OE1-NZ 2.9Å; E259-K282 VanDerWaalsContact OE2-CE 3.24Å; E259-K282 WeakPolarHBondContact OE2-CE 3.41Å; E259-K282 IonicContact OE2-NZ 3.04Å; E259-K282 PolarHBondContact OE2-NZ 3.04Å; E259-F283 WeakPolarHBondContact CA-O 3.33Å; E259-R284 HydrophobicContact CB-CG 4.29Å; E259-R284 HydrophobicContact CG-CG 4.11Å; E259-R284 IonicContact OE2-CZ 3.15Å; E259-R284 IonicContact OE2-NE 2.74Å; E259-R284 PolarHBondContact OE2-NE 3.41Å; E259-R284 IonicContact OE2-NH2 2.71Å; E259-R284 PolarHBondContact OE2-NH2 3.32Å |
| 260 | I | 42.1 | Very low | 43.6 | Very low | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.138 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115 | 175.9 | -51.3 | -177.2 | 0 | 0 | 0 | 107.8 | V237 I238 F239 V258 K282 F283 L327 | V237-I260 HydrophobicContact CG1-CG2 3.5Å; V237-I260 VanDerWaalsContact CG1-CG2 3.5Å; I238-I260 WeakPolarHBondContact O-CA 3.46Å; F239-I260 HydrophobicContact CD1-CG1 4.13Å; F239-I260 HydrophobicContact CE1-CD1 3.9Å; F239-I260 HydrophobicContact CE1-CG1 3.89Å; V258-I260 HydrophobicContact CG1-CD1 4.41Å; V258-I260 HydrophobicContact CG1-CG1 3.83Å; I260-K282 WeakPolarHBondContact O-CA 3.5Å; I260-F283 HydrophobicContact CB-CB 4.31Å; I260-F283 PolarHBondContact N-O 2.91Å; I260-F283 PolarHBondContact O-N 3.22Å; I260-L327 HydrophobicContact CD1-CD2 4.33Å |
| 261 | V | 49 | Very low | 43.4 | Very low | 24 Ų | 24 | 74.5 Ų | 74.5 | 15% | 0.145 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 116.8 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | I238 E259 K263 Y281 K282 | I238-V261 HydrophobicContact CB-CB 4.35Å; I238-V261 PolarHBondContact N-O 2.93Å; I238-V261 PolarHBondContact O-N 3.23Å; E259-V261 HydrophobicContact CG-CG2 4.18Å; V261-K263 HydrophobicContact CG1-CG 4.44Å; V261-Y281 WeakPolarHBondContact CA-O 3.45Å; V261-K282 HydrophobicContact CG2-CG 4.46Å |
| 262 | C | 42.4 | Very low | 43.1 | Very low | 23 Ų | 23 | 76.3 Ų | 76.3 | 16% | 0.155 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 122 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 110 | E236 Y281 | E236-C262 WeakPolarHBondContact O-CA 3.48Å; C262-Y281 PolarHBondContact N-O 3.49Å; C262-Y281 PolarHBondContact O-N 3.46Å |
| 263 | K | 49.3 | Very low | 42.5 | Very low | 72 Ų | 72 | 83.2 Ų | 83.2 | 31% | 0.313 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.3 | 170 | -52.9 | -166 | -175.6 | 163.1 | 0 | 111.4 | Y235 E236 V261 Y265 F280 | Y235-K263 VanDerWaalsContact CA-O 3.28Å; Y235-K263 WeakPolarHBondContact CA-O 3.48Å; E236-K263 HydrophobicContact CB-CB 4.24Å; E236-K263 PolarHBondContact N-O 2.91Å; E236-K263 VanDerWaalsContact N-O 3.08Å; E236-K263 PolarHBondContact O-N 3.12Å; E236-K263 WeakPolarHBondContact OE2-CD 3.42Å; E236-K263 IonicContact OE2-NZ 3.54Å; V261-K263 HydrophobicContact CG1-CG 4.44Å; K263-Y265 PolarHBondContact O-N 3.17Å; K263-F280 HydrophobicContact CB-CE1 4.37Å; K263-F280 HydrophobicContact CD-CD1 4.37Å; K263-F280 HydrophobicContact CD-CE1 3.89Å; K263-F280 HydrophobicContact CG-CD1 3.91Å; K263-F280 HydrophobicContact CG-CE1 3.86Å |
| 264 | P | 45 | Very low | 42 | Very low | 45 Ų | 45 | 81 Ų | 81 | 29% | 0.292 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 129.8 | 164.9 | 30.2 | -32.8 | 0 | 0 | 0 | 109.4 | E266 Q278 | P264-E266 PolarHBondContact O-N 3.39Å; P264-Q278 HydrophobicContact CG-CB 4.31Å; P264-Q278 HydrophobicContact CG-CG 4.26Å |
| 265 | Y | 44.2 | Very low | 41.3 | Very low | 123 Ų | 123 | 86.1 Ų | 86.1 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | trans | -87.5 | 101.6 | 176.3 | -176.1 | -83 | 0 | 0 | 0 | 109.6 | K234 K263 R267 | K234-Y265 HydrophobicContact CB-CD1 4.13Å; K234-Y265 HydrophobicContact CB-CG 4.05Å; K234-Y265 HydrophobicContact CD-CD1 4.01Å; K234-Y265 HydrophobicContact CD-CE1 4.3Å; K234-Y265 HydrophobicContact CD-CG 4.43Å; K234-Y265 WeakPolarHBondContact O-CB 3.28Å; K234-Y265 PolarHBondContact O-N 2.95Å; K263-Y265 PolarHBondContact O-N 3.17Å; Y265-R267 HydrophobicContact CD1-CG 4.3Å; Y265-R267 HydrophobicContact CE1-CG 3.85Å; Y265-R267 PolarHBondContact O-N 3.23Å | ||
| 266 | E | 49.2 | Very low | 41.5 | Very low | 109 Ų | 109 | 84.1 Ų | 84.1 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | trans | -69.1 | 112.8 | 166.1 | -80.3 | 166.7 | -156.2 | 0 | 0 | 109.3 | P264 Q278 | P264-E266 PolarHBondContact O-N 3.39Å; E266-Q278 PolarHBondContact OE1-NE2 3.44Å; E266-Q278 PolarHBondContact OE2-NE2 2.98Å | ||
| 267 | R | 43.5 | Very low | 41.5 | Very low | 183 Ų | 183 | 90 Ų | 90 | 69% | 0.691 | 50% | 0.495 | S | S | * | . | trans | -67.3 | 145.8 | 158.1 | -96.4 | -175.1 | 160.2 | 163.4 | -7.6 | 108.1 | Y265 I269 | Y265-R267 HydrophobicContact CD1-CG 4.3Å; Y265-R267 HydrophobicContact CE1-CG 3.85Å; Y265-R267 PolarHBondContact O-N 3.23Å; R267-I269 PolarHBondContact O-N 2.79Å | ||
| 268 | S | 42.4 | Very low | 41.9 | Very low | 126 Ų | 126 | 90.6 Ų | 90.6 | 88% | 0.881 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -65.4 | 69.5 | 178 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 269 | I | 38.9 | Very low | 42.1 | Very low | 129 Ų | 129 | 95 Ų | 95 | 66% | 0.662 | 51% | 0.514 | S | S | * | . | trans | -92.6 | 132.3 | 162.7 | -58.8 | 174.8 | 0 | 0 | 0 | 105.6 | R267 V271 | R267-I269 PolarHBondContact O-N 2.79Å; I269-V271 PolarHBondContact O-N 2.96Å | ||
| 270 | P | 35 | Very low | 42.4 | Very low | 122 Ų | 122 | 99 Ų | 99 | 79% | 0.792 | 53% | 0.531 | S | S | * | . | trans | -68.2 | 96.6 | 176.4 | 27.7 | -33.5 | 0 | 0 | 0 | 109.9 | V272 | P270-V272 PolarHBondContact O-N 3.07Å; P270-V272 VanDerWaalsContact O-N 3.09Å | ||
| 271 | V | 39.2 | Very low | 42.5 | Very low | 88 Ų | 88 | 102.1 Ų | 102.1 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | trans | -71.2 | 103.7 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 109 | I269 N273 S274 | I269-V271 PolarHBondContact O-N 2.96Å; V271-N273 PolarHBondContact O-N 3.12Å; V271-N273 VanDerWaalsContact O-N 3.07Å; V271-S274 VanDerWaalsContact CG1-OG 3.29Å; V271-S274 WeakPolarHBondContact CG1-OG 3.39Å | ||
| 272 | V | 40.1 | Very low | 42.6 | Very low | 123 Ų | 123 | 106.5 Ų | 106.5 | 75% | 0.745 | 56% | 0.559 | S | S | * | * | trans | -65.6 | 108.1 | 171.8 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | P270 S274 | P270-V272 PolarHBondContact O-N 3.07Å; P270-V272 VanDerWaalsContact O-N 3.09Å; V272-S274 VanDerWaalsContact C-N 3.31Å; V272-S274 PolarHBondContact O-N 3.47Å; V272-S274 PolarHBondContact O-OG 3.08Å | ||
| 273 | N | 34.7 | Very low | 42.6 | Very low | 167 Ų | 167 | 110.3 Ų | 110.3 | 89% | 0.893 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 39.1 | 44.7 | 161.2 | -65.5 | -5.9 | 0 | 0 | 0 | 117.1 | V271 | V271-N273 PolarHBondContact O-N 3.12Å; V271-N273 VanDerWaalsContact O-N 3.07Å |
| 274 | S | 36.4 | Very low | 42.5 | Very low | 77 Ų | 77 | 114.3 Ų | 114.3 | 54% | 0.538 | 59% | 0.586 | S | S | . | * | trans | -127.4 | 117.3 | 171.9 | 38.2 | 0 | 0 | 0 | 0 | 110.7 | V271 V272 A276 | V271-S274 VanDerWaalsContact CG1-OG 3.29Å; V271-S274 WeakPolarHBondContact CG1-OG 3.39Å; V272-S274 VanDerWaalsContact C-N 3.31Å; V272-S274 PolarHBondContact O-N 3.47Å; V272-S274 PolarHBondContact O-OG 3.08Å; S274-A276 PolarHBondContact O-N 2.81Å | ||
| 275 | C | 29 | Very low | 42.2 | Very low | 127 Ų | 127 | 114.1 Ų | 114.1 | 86% | 0.858 | 59% | 0.586 | S | S | * | * | trans | -77.5 | 84.3 | -173.5 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | K277 | C275-K277 PolarHBondContact O-N 3.06Š| ||
| 276 | A | 42.4 | Very low | 42.1 | Very low | 66 Ų | 66 | 113.2 Ų | 113.2 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | trans | -67.1 | 109.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | S274 Q278 | S274-A276 PolarHBondContact O-N 2.81Å; A276-Q278 PolarHBondContact O-N 2.82Å | ||
| 277 | K | 41.9 | Very low | 41.6 | Very low | 144 Ų | 144 | 109.7 Ų | 109.7 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | trans | -72.7 | 86 | 177.1 | -69.6 | -179.5 | 177.8 | 176.6 | 0 | 110.8 | C275 K279 | C275-K277 PolarHBondContact O-N 3.06Å; K277-K279 PolarHBondContact O-N 3.32Å; K277-K279 VanDerWaalsContact O-N 3.16Å | ||
| 278 | Q | 50.1 | Low | 41.4 | Very low | 83 Ų | 83 | 105 Ų | 105 | 39% | 0.388 | 58% | 0.575 | S | S | . | * | trans | -56 | 117.5 | 173.2 | -67.7 | -175.5 | 6 | 0 | 0 | 110.5 | P264 E266 A276 F280 | P264-Q278 HydrophobicContact CG-CB 4.31Å; P264-Q278 HydrophobicContact CG-CG 4.26Å; E266-Q278 PolarHBondContact OE1-NE2 3.44Å; E266-Q278 PolarHBondContact OE2-NE2 2.98Å; A276-Q278 PolarHBondContact O-N 2.82Å; Q278-F280 HydrophobicContact CB-CE2 4.33Å; Q278-F280 HydrophobicContact CB-CZ 4.12Å | ||
| 279 | K | 47 | Very low | 41.3 | Very low | 108 Ų | 108 | 100.9 Ų | 100.9 | 47% | 0.47 | 54% | 0.544 | S | S | . | . | trans | -95.2 | 113.8 | 174.8 | -74.6 | -163.6 | 171.2 | -165.8 | 0 | 110.5 | K277 Y281 I349 | K277-K279 PolarHBondContact O-N 3.32Å; K277-K279 VanDerWaalsContact O-N 3.16Å; K279-Y281 HydrophobicContact CB-CE2 4.18Å; K279-I349 HydrophobicContact CD-CD1 4.14Å; K279-I349 VanDerWaalsContact NZ-CD1 3.31Å | ||
| 280 | F | 48 | Very low | 41.3 | Very low | 113 Ų | 113 | 97 Ų | 97 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | trans | -81.9 | 130.2 | 170 | -57.1 | -72 | 0 | 0 | 0 | 109.9 | K263 Q278 | K263-F280 HydrophobicContact CB-CE1 4.37Å; K263-F280 HydrophobicContact CD-CD1 4.37Å; K263-F280 HydrophobicContact CD-CE1 3.89Å; K263-F280 HydrophobicContact CG-CD1 3.91Å; K263-F280 HydrophobicContact CG-CE1 3.86Å; Q278-F280 HydrophobicContact CB-CE2 4.33Å; Q278-F280 HydrophobicContact CB-CZ 4.12Å | ||
| 281 | Y | 45.2 | Very low | 41.4 | Very low | 92 Ų | 92 | 92.6 Ų | 92.6 | 36% | 0.361 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.6 | 167.7 | -61.6 | -86.9 | 0 | 0 | 0 | 108.4 | V261 C262 K279 | V261-Y281 WeakPolarHBondContact CA-O 3.45Å; C262-Y281 PolarHBondContact N-O 3.49Å; C262-Y281 PolarHBondContact O-N 3.46Å; K279-Y281 HydrophobicContact CB-CE2 4.18Å |
| 282 | K | 51.5 | Low | 41.3 | Very low | 117 Ų | 117 | 91 Ų | 91 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 108.7 | -176.6 | 172.5 | 167.2 | 169.2 | 140.4 | 0 | 108.9 | E259 I260 V261 | E259-K282 HydrophobicContact CG-CG 4.26Å; E259-K282 WeakPolarHBondContact OE1-CE 3.46Å; E259-K282 IonicContact OE1-NZ 2.66Å; E259-K282 PolarHBondContact OE1-NZ 2.9Å; E259-K282 VanDerWaalsContact OE2-CE 3.24Å; E259-K282 WeakPolarHBondContact OE2-CE 3.41Å; E259-K282 IonicContact OE2-NZ 3.04Å; E259-K282 PolarHBondContact OE2-NZ 3.04Å; I260-K282 WeakPolarHBondContact O-CA 3.5Å; V261-K282 HydrophobicContact CG2-CG 4.46Å |
| 283 | F | 42.1 | Very low | 41.4 | Very low | 102 Ų | 102 | 91.9 Ų | 91.9 | 45% | 0.447 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.7 | 175.5 | -54.2 | -86.7 | 0 | 0 | 0 | 109.4 | E259 I260 | E259-F283 WeakPolarHBondContact CA-O 3.33Å; I260-F283 HydrophobicContact CB-CB 4.31Å; I260-F283 PolarHBondContact N-O 2.91Å; I260-F283 PolarHBondContact O-N 3.22Å |
| 284 | R | 46.1 | Very low | 41.7 | Very low | 156 Ų | 156 | 88.3 Ų | 88.3 | 59% | 0.589 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125 | 171.9 | -73 | -179.9 | 167.9 | 176.6 | -7.2 | 108.3 | L257 V258 E259 | L257-R284 HydrophobicContact CD2-CG 4.22Å; V258-R284 WeakPolarHBondContact O-CA 3.46Å; E259-R284 HydrophobicContact CB-CG 4.29Å; E259-R284 HydrophobicContact CG-CG 4.11Å; E259-R284 IonicContact OE2-CZ 3.15Å; E259-R284 IonicContact OE2-NE 2.74Å; E259-R284 PolarHBondContact OE2-NE 3.41Å; E259-R284 IonicContact OE2-NH2 2.71Å; E259-R284 PolarHBondContact OE2-NH2 3.32Å |
| 285 | S | 38.5 | Very low | 41.5 | Very low | 41 Ų | 41 | 92.8 Ų | 92.8 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.8 | 167.7 | -167.8 | 0 | 0 | 0 | 0 | 109.5 | V258 | V258-S285 PolarHBondContact N-O 3.38Å; V258-S285 PolarHBondContact O-N 2.92Å; V258-S285 VanDerWaalsContact O-N 3.1Å |
| 286 | P | 42 | Very low | 41.7 | Very low | 105 Ų | 105 | 91.6 Ų | 91.6 | 68% | 0.682 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 151.2 | 153.8 | 32.1 | -32.9 | 0 | 0 | 0 | 109.1 | V256 | V256-P286 CarbonylContact O-C 3.57Å |
| 287 | L | 40.5 | Very low | 41.2 | Very low | 35 Ų | 35 | 98.3 Ų | 98.3 | 18% | 0.183 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 122.9 | 178.2 | -118.6 | 168.5 | 0 | 0 | 0 | 107.3 | V256 V258 L326 | V256-L287 HydrophobicContact CB-CB 4.2Å; V256-L287 PolarHBondContact N-O 2.79Å; V256-L287 WeakPolarHBondContact O-CB 3.38Å; V256-L287 PolarHBondContact O-N 2.85Å; V258-L287 HydrophobicContact CG2-CD1 3.65Å; L287-L326 HydrophobicContact CD1-CD2 3.55Å; L287-L326 HydrophobicContact CD2-CD2 3.99Å; L287-L326 HydrophobicContact CG-CD2 3.6Å |
| 288 | S | 38.9 | Very low | 40.8 | Very low | 84 Ų | 84 | 97.9 Ų | 97.9 | 59% | 0.587 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 115 | 173.6 | -62.4 | 0 | 0 | 0 | 0 | 109 | ||
| 289 | V | 40.5 | Very low | 40 | Very low | 40 Ų | 40 | 98 Ų | 98 | 24% | 0.242 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.4 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | Y254 V256 L291 | Y254-V289 PolarHBondContact N-O 3.49Å; Y254-V289 PolarHBondContact O-N 3.11Å; V256-V289 HydrophobicContact CB-CG2 4.36Å; V256-V289 HydrophobicContact CG2-CB 4.1Å; V256-V289 HydrophobicContact CG2-CG2 3.72Å; V289-L291 HydrophobicContact CG1-CD2 3.87Å; V289-L291 HydrophobicContact CG1-CG 4.39Å |
| 290 | E | 38.4 | Very low | 39.3 | Very low | 46 Ų | 46 | 95.9 Ų | 95.9 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 131 | 168.4 | -170.6 | 161.3 | -89.7 | 0 | 0 | 109 | I251 K253 M305 | I251-E290 VanDerWaalsContact CG2-CD 3.48Å; I251-E290 HydrophobicContact CG2-CG 3.53Å; K253-E290 WeakPolarHBondContact CE-OE1 3.33Å; K253-E290 HydrophobicContact CG-CB 4.34Å; K253-E290 HydrophobicContact CG-CG 4.48Å; E290-M305 HydrophobicContact CB-CE 3.84Å; E290-M305 HydrophobicContact CG-CE 4.18Å; E290-M305 WeakPolarHBondContact OE1-CE 3.44Å; E290-M305 WeakPolarHBondContact OE2-CE 3.44Å |
| 291 | L | 37.6 | Very low | 38.4 | Very low | 30 Ų | 30 | 96.4 Ų | 96.4 | 16% | 0.157 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 108.5 | 173.7 | -62.4 | -179 | 0 | 0 | 0 | 108.3 | Y254 V289 Y293 Y302 | Y254-L291 HydrophobicContact CD2-CB 4.37Å; Y254-L291 HydrophobicContact CD2-CD1 3.78Å; Y254-L291 HydrophobicContact CD2-CG 3.95Å; Y254-L291 HydrophobicContact CE2-CB 4.14Å; Y254-L291 HydrophobicContact CE2-CD1 3.71Å; Y254-L291 HydrophobicContact CE2-CG 4.09Å; V289-L291 HydrophobicContact CG1-CD2 3.87Å; V289-L291 HydrophobicContact CG1-CG 4.39Å; L291-Y293 HydrophobicContact CB-CD2 4.3Å; L291-Y293 HydrophobicContact CB-CE2 3.56Å; L291-Y293 VanDerWaalsContact CD1-OH 3.32Å; L291-Y293 WeakPolarHBondContact CD1-OH 3.48Å; L291-Y293 VanDerWaalsContact O-CD2 3.26Å; L291-Y293 WeakPolarHBondContact O-CD2 3.39Å; L291-Y293 WeakPolarHBondContact O-CE2 3.47Å; L291-Y302 HydrophobicContact CD2-CD1 4.14Å; L291-Y302 HydrophobicContact CD2-CE1 3.61Å |
| 292 | D | 36.9 | Very low | 37.8 | Very low | 54 Ų | 54 | 97 Ų | 97 | 29% | 0.289 | 48% | 0.477 | S | S | . | . | trans | -80 | 133.4 | 169.7 | -169.4 | 0.2 | 0 | 0 | 0 | 109.8 | T294 | D292-T294 VanDerWaalsContact CG-OG1 3.25Å; D292-T294 VanDerWaalsContact OD1-CB 3.31Å; D292-T294 WeakPolarHBondContact OD1-CB 3.05Å; D292-T294 VanDerWaalsContact OD1-CG2 3.23Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.08Å; D292-T294 PolarHBondContact OD1-N 3.48Å; D292-T294 PolarHBondContact OD1-OG1 3.38Å; D292-T294 PolarHBondContact OD2-OG1 3.03Å; D292-T294 VanDerWaalsContact OD2-OG1 3.05Å | ||
| 293 | Y | 41.5 | Very low | 37 | Very low | 143 Ų | 143 | 95.1 Ų | 95.1 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | trans | -123.2 | 9.8 | -179.9 | -65 | -81.1 | 0 | 0 | 0 | 111.9 | L291 Y295 | L291-Y293 HydrophobicContact CB-CD2 4.3Å; L291-Y293 HydrophobicContact CB-CE2 3.56Å; L291-Y293 VanDerWaalsContact CD1-OH 3.32Å; L291-Y293 WeakPolarHBondContact CD1-OH 3.48Å; L291-Y293 VanDerWaalsContact O-CD2 3.26Å; L291-Y293 WeakPolarHBondContact O-CD2 3.39Å; L291-Y293 WeakPolarHBondContact O-CE2 3.47Å; Y293-Y295 PolarHBondContact O-N 3.27Å | ||
| 294 | T | 40.5 | Very low | 36.5 | Very low | 92 Ų | 92 | 91.7 Ų | 91.7 | 56% | 0.564 | 47% | 0.466 | S | S | * | . | trans | -71.9 | -12 | -175.4 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | D292 P296 | D292-T294 VanDerWaalsContact CG-OG1 3.25Å; D292-T294 VanDerWaalsContact OD1-CB 3.31Å; D292-T294 WeakPolarHBondContact OD1-CB 3.05Å; D292-T294 VanDerWaalsContact OD1-CG2 3.23Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.08Å; D292-T294 PolarHBondContact OD1-N 3.48Å; D292-T294 PolarHBondContact OD1-OG1 3.38Å; D292-T294 PolarHBondContact OD2-OG1 3.03Å; D292-T294 VanDerWaalsContact OD2-OG1 3.05Å; T294-P296 WeakPolarHBondContact O-CD 3.49Å | ||
| 295 | Y | 34.2 | Very low | 35.7 | Very low | 171 Ų | 171 | 88.1 Ų | 88.1 | 67% | 0.671 | 46% | 0.457 | S | S | * | . | trans | -88.4 | 109.9 | 177.3 | -92.2 | -92.7 | 0 | 0 | 0 | 112.8 | Y293 Y297 | Y293-Y295 PolarHBondContact O-N 3.27Å; Y295-Y297 PolarHBondContact O-N 3.17Å | ||
| 296 | P | 31.1 | Very low | 35.5 | Very low | 101 Ų | 101 | 92.9 Ų | 92.9 | 66% | 0.656 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -74.5 | 119.3 | 168.7 | 31.6 | -33 | 0 | 0 | 0 | 109.5 | T294 | T294-P296 WeakPolarHBondContact O-CD 3.49Š|
| 297 | Y | 33.4 | Very low | 35.1 | Very low | 207 Ų | 207 | 91.1 Ų | 91.1 | 81% | 0.812 | 46% | 0.459 | S | S | * | . | S | Bend | trans | 69.8 | 136.1 | -179.8 | -44.9 | -82.8 | 0 | 0 | 0 | 114.9 | Y295 | Y295-Y297 PolarHBondContact O-N 3.17Š|
| 298 | N | 32.6 | Very low | 34.8 | Very low | 135 Ų | 135 | 94.6 Ų | 94.6 | 72% | 0.722 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 75.3 | 94.6 | 179.1 | -48.9 | -42.8 | 0 | 0 | 0 | 117.4 | ||
| 299 | L | 33 | Very low | 34.4 | Very low | 85 Ų | 85 | 99.5 Ų | 99.5 | 45% | 0.445 | 50% | 0.498 | S | S | . | . | trans | 57.7 | 131.1 | 161.3 | -77.5 | 76 | 0 | 0 | 0 | 118.8 | F22 H301 | F22-L299 HydrophobicContact CD2-CD2 4.07Å; F22-L299 HydrophobicContact CD2-CG 4Å; F22-L299 HydrophobicContact CE2-CB 4.27Å; F22-L299 HydrophobicContact CE2-CD2 4.02Å; F22-L299 HydrophobicContact CE2-CG 4.05Å; L299-H301 PolarHBondContact O-N 3.46Å; L299-H301 VanDerWaalsContact O-N 3.13Å; L299-H301 PolarHBondContact O-ND1 2.94Å | ||
| 300 | P | 32.4 | Very low | 34 | Very low | 65 Ų | 65 | 98.9 Ų | 98.9 | 42% | 0.422 | 49% | 0.494 | S | S | . | . | trans | -57 | 115.9 | 162.7 | -21.6 | 31.6 | 0 | 0 | 0 | 111.7 | F22 | F22-P300 HydrophobicContact CE1-CB 4.29Å; F22-P300 HydrophobicContact CE1-CG 3.93Å; F22-P300 HydrophobicContact CE2-CG 4.38Å; F22-P300 HydrophobicContact CZ-CB 3.84Å; F22-P300 HydrophobicContact CZ-CG 3.79Å | ||
| 301 | H | 30.4 | Very low | 33.6 | Very low | 124 Ų | 124 | 106 Ų | 106 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | trans | -85 | 119 | 170.2 | -80.7 | 79.3 | 0 | 0 | 0 | 109.6 | L299 V303 | L299-H301 PolarHBondContact O-N 3.46Å; L299-H301 VanDerWaalsContact O-N 3.13Å; L299-H301 PolarHBondContact O-ND1 2.94Å; H301-V303 PolarHBondContact O-N 2.67Å | ||
| 302 | Y | 32 | Very low | 33.4 | Very low | 103 Ų | 103 | 109.5 Ų | 109.5 | 40% | 0.404 | 55% | 0.545 | S | S | . | . | trans | -86.1 | 104.1 | 177 | -69.7 | -74.3 | 0 | 0 | 0 | 111.4 | F22 L26 L291 A304 | F22-Y302 HydrophobicContact CE1-CE2 4.05Å; F22-Y302 AromaticContact CZ-CE2 3.68Å; F22-Y302 HydrophobicContact CZ-CE2 3.68Å; L26-Y302 HydrophobicContact CD1-CE2 4.03Å; L26-Y302 HydrophobicContact CD2-CD2 4.28Å; L26-Y302 HydrophobicContact CD2-CE2 4Å; L291-Y302 HydrophobicContact CD2-CD1 4.14Å; L291-Y302 HydrophobicContact CD2-CE1 3.61Å; Y302-A304 PolarHBondContact O-N 2.91Å | ||
| 303 | V | 33.7 | Very low | 33.1 | Very low | 78 Ų | 78 | 112.7 Ų | 112.7 | 47% | 0.473 | 57% | 0.569 | S | S | . | * | trans | -81.9 | 89.5 | 162.3 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | H301 M305 F320 | H301-V303 PolarHBondContact O-N 2.67Å; V303-M305 PolarHBondContact O-N 3.38Å; V303-F320 HydrophobicContact CG2-CE1 4.47Å | ||
| 304 | A | 31.8 | Very low | 32.6 | Very low | 30 Ų | 30 | 113.5 Ų | 113.5 | 25% | 0.248 | 58% | 0.583 | C | S | . | * | P | Polyproline II helix | trans | -71.7 | 116.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y302 Q306 L321 | Y302-A304 PolarHBondContact O-N 2.91Å; A304-Q306 PolarHBondContact O-N 3.5Å; A304-L321 WeakPolarHBondContact CB-O 3.36Å |
| 305 | M | 30.4 | Very low | 32.1 | Very low | 81 Ų | 81 | 120.3 Ų | 120.3 | 40% | 0.399 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -67 | 130.9 | -170.7 | -74.7 | -169.1 | 166.5 | 0 | 0 | 112.9 | E290 V303 N307 | E290-M305 HydrophobicContact CB-CE 3.84Å; E290-M305 HydrophobicContact CG-CE 4.18Å; E290-M305 WeakPolarHBondContact OE1-CE 3.44Å; E290-M305 WeakPolarHBondContact OE2-CE 3.44Å; V303-M305 PolarHBondContact O-N 3.38Å; M305-N307 PolarHBondContact O-N 2.85Å |
| 306 | Q | 33.1 | Very low | 31.8 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 119.7 | 169.7 | -164.8 | 176.1 | 16.1 | 0 | 0 | 109.5 | A304 S308 L321 | A304-Q306 PolarHBondContact O-N 3.5Å; Q306-S308 PolarHBondContact O-N 3.19Å; Q306-S308 VanDerWaalsContact O-N 3.13Å; Q306-L321 HydrophobicContact CG-CD1 4.14Å |
| 307 | N | 33.5 | Very low | 31.5 | Very low | 68 Ų | 68 | 120.1 Ų | 120.1 | 36% | 0.364 | 61% | 0.61 | S | S | . | * | trans | -72.5 | 107.4 | 179.4 | -174.3 | -8.5 | 0 | 0 | 0 | 109.5 | M305 F309 V310 | M305-N307 PolarHBondContact O-N 2.85Å; N307-F309 PolarHBondContact O-N 3.4Å; N307-F309 PolarHBondContact OD1-N 3.37Å; N307-V310 HydrophobicContact CB-CG2 4.27Å; N307-V310 PolarHBondContact O-N 2.82Å | ||
| 308 | S | 34.1 | Very low | 31.1 | Very low | 108 Ų | 108 | 118 Ų | 118 | 76% | 0.755 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -10.9 | -172.7 | 51.2 | 0 | 0 | 0 | 0 | 115 | Q306 V310 | Q306-S308 PolarHBondContact O-N 3.19Å; Q306-S308 VanDerWaalsContact O-N 3.13Å; S308-V310 VanDerWaalsContact C-N 3.27Å |
| 309 | F | 30.8 | Very low | 30.8 | Very low | 188 Ų | 188 | 117.8 Ų | 117.8 | 83% | 0.825 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 4.2 | 171.5 | -67.3 | -84.1 | 0 | 0 | 0 | 114 | N307 | N307-F309 PolarHBondContact O-N 3.4Å; N307-F309 PolarHBondContact OD1-N 3.37Å |
| 310 | V | 33.2 | Very low | 30.5 | Very low | 26 Ų | 26 | 120 Ų | 120 | 16% | 0.158 | 62% | 0.622 | C | S | . | * | trans | -119.3 | 97.7 | -179.1 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | N307 S308 L312 Y329 | N307-V310 HydrophobicContact CB-CG2 4.27Å; N307-V310 PolarHBondContact O-N 2.82Å; S308-V310 VanDerWaalsContact C-N 3.27Å; V310-L312 HydrophobicContact CG1-CD2 4.23Å; V310-L312 HydrophobicContact CG1-CG 4.34Å; V310-L312 PolarHBondContact O-N 3.35Å; V310-L312 VanDerWaalsContact O-N 3.12Å; V310-Y329 HydrophobicContact CG1-CE2 4.1Å; V310-Y329 WeakPolarHBondContact CG1-OH 3.13Å; V310-Y329 HydrophobicContact CG2-CE1 4.48Å; V310-Y329 HydrophobicContact CG2-CE2 3.76Å | ||
| 311 | Q | 30 | Very low | 30.6 | Very low | 197 Ų | 197 | 118.7 Ų | 118.7 | 92% | 0.921 | 61% | 0.612 | S | S | * | * | trans | -69.3 | 103.4 | 161.5 | -77.7 | -176.5 | -22.9 | 0 | 0 | 109.1 | ||||
| 312 | L | 33.1 | Very low | 30.9 | Very low | 102 Ų | 102 | 117 Ų | 117 | 53% | 0.534 | 61% | 0.607 | S | S | . | * | trans | -72.3 | 139.1 | 164 | -68.3 | 170.3 | 0 | 0 | 0 | 108.7 | V310 L321 | V310-L312 HydrophobicContact CG1-CD2 4.23Å; V310-L312 HydrophobicContact CG1-CG 4.34Å; V310-L312 PolarHBondContact O-N 3.35Å; V310-L312 VanDerWaalsContact O-N 3.12Å; L312-L321 HydrophobicContact CD1-CD1 4.16Å | ||
| 313 | P | 30.7 | Very low | 31.2 | Very low | 121 Ų | 121 | 116.5 Ų | 116.5 | 79% | 0.786 | 61% | 0.614 | S | S | * | * | trans | -67.1 | 137.4 | 176.1 | 28.2 | -34.1 | 0 | 0 | 0 | 110.7 | R315 | P313-R315 PolarHBondContact O-N 3.24Š| ||
| 314 | D | 30.7 | Very low | 31.3 | Very low | 161 Ų | 161 | 114.4 Ų | 114.4 | 86% | 0.861 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -60 | 106.8 | -174.2 | -78.1 | -58.2 | 0 | 0 | 0 | 113.7 | ||
| 315 | R | 29.5 | Very low | 31.8 | Very low | 234 Ų | 234 | 116 Ų | 116 | 88% | 0.883 | 61% | 0.613 | S | S | * | * | trans | -165 | 120.6 | 145.1 | -106.6 | 152.9 | -164.8 | -149.2 | 1.8 | 112.7 | P313 | P313-R315 PolarHBondContact O-N 3.24Š| ||
| 316 | Q | 28.5 | Very low | 32.3 | Very low | 184 Ų | 184 | 114.6 Ų | 114.6 | 86% | 0.86 | 61% | 0.607 | S | S | * | * | trans | 57.4 | 83.3 | 156.2 | -63.8 | -177.9 | -17 | 0 | 0 | 117.3 | ||||
| 317 | A | 24.4 | Very low | 32.9 | Very low | 85 Ų | 85 | 111.8 Ų | 111.8 | 70% | 0.702 | 60% | 0.596 | S | S | * | * | 30.9 | 138.9 | 129.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 318 | N | 24.7 | Very low | 33.1 | Very low | 161 Ų | 161 | 114.3 Ų | 114.3 | 86% | 0.861 | 60% | 0.604 | S | S | * | * | trans | 77 | 57.6 | 157.4 | -54.1 | -13.5 | 0 | 0 | 0 | 118.1 | ||||
| 319 | T | 27 | Very low | 33.4 | Very low | 132 Ų | 132 | 114.6 Ų | 114.6 | 81% | 0.81 | 59% | 0.589 | S | S | * | * | trans | -136.3 | 131.8 | 156.7 | -24.6 | 0 | 0 | 0 | 0 | 111.4 | L321 | T319-L321 PolarHBondContact O-N 2.86Š| ||
| 320 | F | 27.2 | Very low | 33.9 | Very low | 130 Ų | 130 | 108.4 Ų | 108.4 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | trans | -67.5 | 127.3 | 179.3 | -73.7 | -110.2 | 0 | 0 | 0 | 110.7 | V303 N322 | V303-F320 HydrophobicContact CG2-CE1 4.47Å; F320-N322 PolarHBondContact O-N 3.45Å; F320-N322 PolarHBondContact O-ND2 2.86Å | ||
| 321 | L | 32.8 | Very low | 34.1 | Very low | 39 Ų | 39 | 109.1 Ų | 109.1 | 20% | 0.204 | 58% | 0.581 | C | S | . | * | trans | -82 | 87 | -174.5 | -160.7 | 143.4 | 0 | 0 | 0 | 109.8 | A304 Q306 L312 T319 D325 | A304-L321 WeakPolarHBondContact CB-O 3.36Å; Q306-L321 HydrophobicContact CG-CD1 4.14Å; L312-L321 HydrophobicContact CD1-CD1 4.16Å; T319-L321 PolarHBondContact O-N 2.86Å; L321-D325 VanDerWaalsContact C-OD2 3.26Å; L321-D325 WeakPolarHBondContact CA-OD2 3.28Å; L321-D325 HydrophobicContact CD2-CB 3.61Å; L321-D325 HydrophobicContact CG-CB 3.94Å | ||
| 322 | N | 38.2 | Very low | 34.5 | Very low | 87 Ų | 87 | 106.1 Ų | 106.1 | 47% | 0.465 | 56% | 0.562 | S | S | . | * | trans | -73.3 | 172.5 | -163.2 | -91.7 | -94.2 | 0 | 0 | 0 | 113.1 | F320 G324 D325 | F320-N322 PolarHBondContact O-N 3.45Å; F320-N322 PolarHBondContact O-ND2 2.86Å; N322-G324 PolarHBondContact O-N 3.39Å; N322-D325 PolarHBondContact N-OD2 3.46Å; N322-D325 WeakPolarHBondContact O-CB 3.27Å; N322-D325 PolarHBondContact O-N 2.97Å | ||
| 323 | V | 37.8 | Very low | 34.5 | Very low | 93 Ų | 93 | 105.2 Ų | 105.2 | 56% | 0.564 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -53 | -23.9 | 168.5 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | D325 L326 L327 | V323-D325 VanDerWaalsContact C-N 3.33Å; V323-D325 PolarHBondContact O-N 3.34Å; V323-L326 PolarHBondContact O-N 3.38Å; V323-L327 PolarHBondContact O-N 2.99Å |
| 324 | G | 36.7 | Very low | 35 | Very low | 34 Ų | 34 | 104.8 Ų | 104.8 | 35% | 0.351 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.7 | -32.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N322 L326 L327 F328 | N322-G324 PolarHBondContact O-N 3.39Å; G324-L326 VanDerWaalsContact C-N 3.34Å; G324-L326 PolarHBondContact O-N 3.29Å; G324-L327 WeakPolarHBondContact O-CB 3.49Å; G324-L327 PolarHBondContact O-N 3.19Å; G324-F328 WeakPolarHBondContact O-CB 3.24Å; G324-F328 PolarHBondContact O-N 2.89Å |
| 325 | D | 41.7 | Very low | 35.1 | Very low | 64 Ų | 64 | 101.7 Ų | 101.7 | 34% | 0.342 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -72.9 | -28 | -178.6 | -65.2 | -70.8 | 0 | 0 | 0 | 112.3 | L321 N322 V323 F328 Y329 | L321-D325 VanDerWaalsContact C-OD2 3.26Å; L321-D325 WeakPolarHBondContact CA-OD2 3.28Å; L321-D325 HydrophobicContact CD2-CB 3.61Å; L321-D325 HydrophobicContact CG-CB 3.94Å; N322-D325 PolarHBondContact N-OD2 3.46Å; N322-D325 WeakPolarHBondContact O-CB 3.27Å; N322-D325 PolarHBondContact O-N 2.97Å; V323-D325 VanDerWaalsContact C-N 3.33Å; V323-D325 PolarHBondContact O-N 3.34Å; D325-F328 WeakPolarHBondContact O-CB 3.41Å; D325-Y329 PolarHBondContact O-N 3.38Å; D325-Y329 VanDerWaalsContact O-N 3.08Å |
| 326 | L | 40.4 | Very low | 35.2 | Very low | 52 Ų | 52 | 95.6 Ų | 95.6 | 27% | 0.272 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -42.1 | 168.6 | -166.1 | 81.3 | 0 | 0 | 0 | 111.5 | L287 V323 G324 F328 Y329 C330 | L287-L326 HydrophobicContact CD1-CD2 3.55Å; L287-L326 HydrophobicContact CD2-CD2 3.99Å; L287-L326 HydrophobicContact CG-CD2 3.6Å; V323-L326 PolarHBondContact O-N 3.38Å; G324-L326 VanDerWaalsContact C-N 3.34Å; G324-L326 PolarHBondContact O-N 3.29Å; L326-F328 VanDerWaalsContact C-N 3.26Å; L326-F328 PolarHBondContact O-N 3.32Å; L326-Y329 PolarHBondContact O-N 3.25Å; L326-C330 PolarHBondContact O-N 3.27Å; L326-C330 PolarHBondContact O-SG 3.09Å |
| 327 | L | 45.2 | Very low | 35.4 | Very low | 82 Ų | 82 | 96.2 Ų | 96.2 | 43% | 0.429 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 174.2 | -72.5 | 168.1 | 0 | 0 | 0 | 111.5 | F239 I260 V323 G324 C330 G331 | F239-L327 HydrophobicContact CE1-CD2 4.4Å; F239-L327 HydrophobicContact CZ-CD2 4.49Å; I260-L327 HydrophobicContact CD1-CD2 4.33Å; V323-L327 PolarHBondContact O-N 2.99Å; G324-L327 WeakPolarHBondContact O-CB 3.49Å; G324-L327 PolarHBondContact O-N 3.19Å; L327-C330 PolarHBondContact O-N 2.73Å; L327-G331 PolarHBondContact O-N 2.82Å |
| 328 | F | 38.2 | Very low | 35.5 | Very low | 120 Ų | 120 | 96.1 Ų | 96.1 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 172.9 | -178.7 | -101.8 | 0 | 0 | 0 | 112.2 | G324 D325 L326 G331 R332 | G324-F328 WeakPolarHBondContact O-CB 3.24Å; G324-F328 PolarHBondContact O-N 2.89Å; D325-F328 WeakPolarHBondContact O-CB 3.41Å; L326-F328 VanDerWaalsContact C-N 3.26Å; L326-F328 PolarHBondContact O-N 3.32Å; F328-G331 PolarHBondContact O-N 3.05Å; F328-R332 PolarHBondContact O-N 2.96Å |
| 329 | Y | 41.5 | Very low | 35.9 | Very low | 114 Ų | 114 | 90.9 Ų | 90.9 | 45% | 0.447 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 173.5 | -102.1 | -90.8 | 0 | 0 | 0 | 113.2 | V310 D325 L326 G331 R332 A333 | V310-Y329 HydrophobicContact CG1-CE2 4.1Å; V310-Y329 WeakPolarHBondContact CG1-OH 3.13Å; V310-Y329 HydrophobicContact CG2-CE1 4.48Å; V310-Y329 HydrophobicContact CG2-CE2 3.76Å; D325-Y329 PolarHBondContact O-N 3.38Å; D325-Y329 VanDerWaalsContact O-N 3.08Å; L326-Y329 PolarHBondContact O-N 3.25Å; Y329-G331 VanDerWaalsContact C-N 3.3Å; Y329-G331 PolarHBondContact O-N 3.4Å; Y329-R332 PolarHBondContact O-N 3.39Å; Y329-A333 WeakPolarHBondContact O-CB 3.2Å; Y329-A333 PolarHBondContact O-N 2.86Å |
| 330 | C | 40.4 | Very low | 36.2 | Very low | 59 Ų | 59 | 89.9 Ų | 89.9 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 172.6 | -70 | 0 | 0 | 0 | 0 | 111.9 | L326 L327 I334 | L326-C330 PolarHBondContact O-N 3.27Å; L326-C330 PolarHBondContact O-SG 3.09Å; L327-C330 PolarHBondContact O-N 2.73Å; C330-I334 WeakPolarHBondContact O-CG1 3.44Å; C330-I334 PolarHBondContact O-N 3.38Å |
| 331 | G | 36.9 | Very low | 36.5 | Very low | 41 Ų | 41 | 87.2 Ų | 87.2 | 42% | 0.423 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L327 F328 Y329 I334 | L327-G331 PolarHBondContact O-N 2.82Å; F328-G331 PolarHBondContact O-N 3.05Å; Y329-G331 VanDerWaalsContact C-N 3.3Å; Y329-G331 PolarHBondContact O-N 3.4Å; G331-I334 PolarHBondContact O-N 2.88Å |
| 332 | R | 38.6 | Very low | 36.4 | Very low | 134 Ų | 134 | 89.5 Ų | 89.5 | 51% | 0.506 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.4 | -35.2 | 177 | -88.9 | -169.1 | 153.7 | -158.1 | -6.9 | 113.5 | F328 Y329 I334 S335 I336 | F328-R332 PolarHBondContact O-N 2.96Å; Y329-R332 PolarHBondContact O-N 3.39Å; R332-I334 PolarHBondContact O-N 2.95Å; R332-S335 PolarHBondContact O-N 2.9Å; R332-I336 HydrophobicContact CB-CD1 3.99Å; R332-I336 HydrophobicContact CG-CD1 3.73Å; R332-I336 PolarHBondContact O-N 3.37Å |
| 333 | A | 34.2 | Very low | 36 | Very low | 83 Ų | 83 | 89.2 Ų | 89.2 | 69% | 0.686 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -31.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y329 S335 | Y329-A333 WeakPolarHBondContact O-CB 3.2Å; Y329-A333 PolarHBondContact O-N 2.86Å; A333-S335 VanDerWaalsContact C-N 3.26Å; A333-S335 PolarHBondContact O-N 3.17Å |
| 334 | I | 40 | Very low | 35.6 | Very low | 111 Ų | 111 | 92.9 Ų | 92.9 | 57% | 0.569 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -19.5 | 174.8 | -67.1 | 166.2 | 0 | 0 | 0 | 112.3 | C330 G331 R332 | C330-I334 WeakPolarHBondContact O-CG1 3.44Å; C330-I334 PolarHBondContact O-N 3.38Å; G331-I334 PolarHBondContact O-N 2.88Å; R332-I334 PolarHBondContact O-N 2.95Å |
| 335 | S | 32.9 | Very low | 35.3 | Very low | 96 Ų | 96 | 98.4 Ų | 98.4 | 67% | 0.671 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | -30.8 | -163.3 | -165.5 | 0 | 0 | 0 | 0 | 115.2 | R332 A333 | R332-S335 PolarHBondContact O-N 2.9Å; A333-S335 VanDerWaalsContact C-N 3.26Å; A333-S335 PolarHBondContact O-N 3.17Å |
| 336 | I | 32.4 | Very low | 34.7 | Very low | 106 Ų | 106 | 98.5 Ų | 98.5 | 54% | 0.544 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -96.9 | -14.1 | -161.4 | -68.1 | -178 | 0 | 0 | 0 | 115.8 | R332 | R332-I336 HydrophobicContact CB-CD1 3.99Å; R332-I336 HydrophobicContact CG-CD1 3.73Å; R332-I336 PolarHBondContact O-N 3.37Å |
| 337 | K | 31.7 | Very low | 34.1 | Very low | 198 Ų | 198 | 103.2 Ų | 103.2 | 86% | 0.861 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -142.2 | 109.9 | 172.4 | -106.8 | 179.1 | 179.3 | 177.6 | 0 | 113.5 | ||
| 338 | G | 27.3 | Very low | 33.2 | Very low | 82 Ų | 82 | 106.5 Ų | 106.5 | 85% | 0.845 | 56% | 0.559 | S | S | * | * | trans | 67.4 | 45.3 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 339 | S | 33.3 | Very low | 32.7 | Very low | 51 Ų | 51 | 104.3 Ų | 104.3 | 36% | 0.357 | 55% | 0.552 | S | S | . | * | trans | -117.1 | 43.9 | 168.7 | -137.6 | 0 | 0 | 0 | 0 | 114.7 | D341 L342 V343 | S339-D341 PolarHBondContact O-N 2.74Å; S339-D341 VanDerWaalsContact O-N 3.11Å; S339-L342 PolarHBondContact O-N 3.03Å; S339-L342 WeakPolarHBondContact OG-CB 3.4Å; S339-L342 PolarHBondContact OG-N 2.78Å; S339-V343 PolarHBondContact O-N 3.43Å | ||
| 340 | L | 33.5 | Very low | 32 | Very low | 111 Ų | 111 | 103.4 Ų | 103.4 | 58% | 0.581 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -51.6 | -26.3 | 156.5 | -158.3 | 80.8 | 0 | 0 | 0 | 110.9 | R344 | L340-R344 VanDerWaalsContact O-CB 3.24Å; L340-R344 WeakPolarHBondContact O-CB 3.31Å; L340-R344 VanDerWaalsContact O-CG 3.31Å; L340-R344 WeakPolarHBondContact O-CG 3.24Å; L340-R344 PolarHBondContact O-N 2.89Å |
| 341 | D | 32.4 | Very low | 31.4 | Very low | 75 Ų | 75 | 109.3 Ų | 109.3 | 40% | 0.401 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75 | -28.5 | 176.7 | -157.5 | 9.1 | 0 | 0 | 0 | 113.8 | S339 R345 | S339-D341 PolarHBondContact O-N 2.74Å; S339-D341 VanDerWaalsContact O-N 3.11Å; D341-R345 WeakPolarHBondContact O-CA 3.1Å; D341-R345 WeakPolarHBondContact O-CB 3.42Å; D341-R345 WeakPolarHBondContact O-CD 3.33Å; D341-R345 WeakPolarHBondContact O-CG 3.45Å; D341-R345 PolarHBondContact O-N 3.44Å; D341-R345 WeakPolarHBondContact OD1-CD 3.29Å; D341-R345 WeakPolarHBondContact OD1-CG 3.37Å; D341-R345 IonicContact OD1-CZ 3.74Å; D341-R345 IonicContact OD1-NE 2.83Å; D341-R345 PolarHBondContact OD1-NE 3.09Å; D341-R345 IonicContact OD1-NH2 3.81Å; D341-R345 IonicContact OD2-CZ 3.15Å; D341-R345 IonicContact OD2-NE 3.01Å; D341-R345 PolarHBondContact OD2-NE 3.21Å; D341-R345 IonicContact OD2-NH2 2.65Å; D341-R345 PolarHBondContact OD2-NH2 3.31Å |
| 342 | L | 31.4 | Very low | 30.9 | Very low | 86 Ų | 86 | 113.3 Ų | 113.3 | 45% | 0.45 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.9 | -45.9 | 167.9 | -122.3 | 77.6 | 0 | 0 | 0 | 110.6 | S339 R345 C346 | S339-L342 PolarHBondContact O-N 3.03Å; S339-L342 WeakPolarHBondContact OG-CB 3.4Å; S339-L342 PolarHBondContact OG-N 2.78Å; L342-R345 PolarHBondContact O-N 3.44Å; L342-C346 WeakPolarHBondContact O-CB 3.19Å; L342-C346 PolarHBondContact O-N 3.06Å; L342-C346 PolarHBondContact O-SG 2.87Å; L342-C346 VanDerWaalsContact O-SG 3.35Å |
| 343 | V | 30.4 | Very low | 30.3 | Very low | 82 Ų | 82 | 112.6 Ų | 112.6 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.5 | -49.4 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | S339 C346 F347 | S339-V343 PolarHBondContact O-N 3.43Å; V343-C346 PolarHBondContact O-N 3.14Å; V343-F347 HydrophobicContact CG1-CD2 4.29Å; V343-F347 PolarHBondContact O-N 3.37Å |
| 344 | R | 28.8 | Very low | 29.9 | Very low | 169 Ų | 169 | 116 Ų | 116 | 64% | 0.638 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65 | -39 | 176.2 | -76.8 | 179.2 | 170.4 | -173.7 | -2.7 | 112.6 | L340 F347 K348 | L340-R344 VanDerWaalsContact O-CB 3.24Å; L340-R344 WeakPolarHBondContact O-CB 3.31Å; L340-R344 VanDerWaalsContact O-CG 3.31Å; L340-R344 WeakPolarHBondContact O-CG 3.24Å; L340-R344 PolarHBondContact O-N 2.89Å; R344-F347 CarbonylContact O-C 3.6Å; R344-F347 PolarHBondContact O-N 2.81Å; R344-K348 WeakPolarHBondContact O-CB 3.36Å; R344-K348 PolarHBondContact O-N 3.41Å |
| 345 | R | 30.7 | Very low | 29.1 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 57% | 0.566 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.8 | -43.6 | 174.9 | -74.5 | 167.5 | -168 | -150.3 | 5.5 | 110.9 | D341 L342 F347 K348 I349 | D341-R345 WeakPolarHBondContact O-CA 3.1Å; D341-R345 WeakPolarHBondContact O-CB 3.42Å; D341-R345 WeakPolarHBondContact O-CD 3.33Å; D341-R345 WeakPolarHBondContact O-CG 3.45Å; D341-R345 PolarHBondContact O-N 3.44Å; D341-R345 WeakPolarHBondContact OD1-CD 3.29Å; D341-R345 WeakPolarHBondContact OD1-CG 3.37Å; D341-R345 IonicContact OD1-CZ 3.74Å; D341-R345 IonicContact OD1-NE 2.83Å; D341-R345 PolarHBondContact OD1-NE 3.09Å; D341-R345 IonicContact OD1-NH2 3.81Å; D341-R345 IonicContact OD2-CZ 3.15Å; D341-R345 IonicContact OD2-NE 3.01Å; D341-R345 PolarHBondContact OD2-NE 3.21Å; D341-R345 IonicContact OD2-NH2 2.65Å; D341-R345 PolarHBondContact OD2-NH2 3.31Å; L342-R345 PolarHBondContact O-N 3.44Å; R345-F347 PolarHBondContact O-N 3.27Å; R345-K348 PolarHBondContact O-N 3.09Å; R345-I349 WeakPolarHBondContact O-CB 3.31Å; R345-I349 WeakPolarHBondContact O-CD1 3.23Å; R345-I349 WeakPolarHBondContact O-CG1 3.44Å; R345-I349 PolarHBondContact O-N 3.15Å |
| 346 | C | 29.4 | Very low | 28.9 | Very low | 66 Ų | 66 | 121.8 Ų | 121.8 | 45% | 0.446 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -59 | -46.6 | 173.3 | -72.4 | 0 | 0 | 0 | 0 | 112 | L342 V343 K348 I349 S350 | L342-C346 WeakPolarHBondContact O-CB 3.19Å; L342-C346 PolarHBondContact O-N 3.06Å; L342-C346 PolarHBondContact O-SG 2.87Å; L342-C346 VanDerWaalsContact O-SG 3.35Å; V343-C346 PolarHBondContact O-N 3.14Å; C346-K348 VanDerWaalsContact C-N 3.3Å; C346-K348 PolarHBondContact O-N 2.97Å; C346-I349 PolarHBondContact O-N 3.46Å; C346-S350 PolarHBondContact O-N 3.18Å; C346-S350 PolarHBondContact O-OG 3.41Å |
| 347 | F | 26.3 | Very low | 28.4 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 67% | 0.667 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.4 | -19.9 | 175.1 | -97.8 | -90.7 | 0 | 0 | 0 | 115.2 | V343 R344 R345 S350 | V343-F347 HydrophobicContact CG1-CD2 4.29Å; V343-F347 PolarHBondContact O-N 3.37Å; R344-F347 CarbonylContact O-C 3.6Å; R344-F347 PolarHBondContact O-N 2.81Å; R345-F347 PolarHBondContact O-N 3.27Å; F347-S350 PolarHBondContact O-OG 3.36Å |
| 348 | K | 26.8 | Very low | 28 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 65% | 0.652 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -93.9 | -25.8 | 178.4 | -163.6 | 167.4 | -174.7 | 174.7 | 0 | 112.1 | R344 R345 C346 K351 L352 | R344-K348 WeakPolarHBondContact O-CB 3.36Å; R344-K348 PolarHBondContact O-N 3.41Å; R345-K348 PolarHBondContact O-N 3.09Å; C346-K348 VanDerWaalsContact C-N 3.3Å; C346-K348 PolarHBondContact O-N 2.97Å; K348-K351 PolarHBondContact O-N 3.25Å; K348-L352 WeakPolarHBondContact O-CG 3.36Å |
| 349 | I | 28.7 | Very low | 27.9 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 38% | 0.379 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.7 | -39 | 170.3 | -69.6 | 155.8 | 0 | 0 | 0 | 110.7 | K279 R345 C346 K351 | K279-I349 HydrophobicContact CD-CD1 4.14Å; K279-I349 VanDerWaalsContact NZ-CD1 3.31Å; R345-I349 WeakPolarHBondContact O-CB 3.31Å; R345-I349 WeakPolarHBondContact O-CD1 3.23Å; R345-I349 WeakPolarHBondContact O-CG1 3.44Å; R345-I349 PolarHBondContact O-N 3.15Å; C346-I349 PolarHBondContact O-N 3.46Å; I349-K351 PolarHBondContact O-N 3.25Å |
| 350 | S | 26.6 | Very low | 27.3 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 3.8 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | C346 F347 | C346-S350 PolarHBondContact O-N 3.18Å; C346-S350 PolarHBondContact O-OG 3.41Å; F347-S350 PolarHBondContact O-OG 3.36Å |
| 351 | K | 27 | Very low | 26.9 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 80% | 0.796 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 17.6 | -174.6 | -140 | -179.9 | -173.5 | -176.2 | 0 | 114.4 | K348 I349 | K348-K351 PolarHBondContact O-N 3.25Å; I349-K351 PolarHBondContact O-N 3.25Å |
| 352 | L | 27.3 | Very low | 26.5 | Very low | 126 Ų | 126 | 139 Ų | 139 | 66% | 0.66 | 68% | 0.676 | S | S | * | * | trans | -95.7 | 131.3 | 176.7 | -86.1 | 165.2 | 0 | 0 | 0 | 111.4 | K348 | K348-L352 WeakPolarHBondContact O-CG 3.36Š| ||
| 353 | P | 25.2 | Very low | 26.2 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | trans | -75.9 | -177.3 | 178.9 | 33 | -36.1 | 0 | 0 | 0 | 112.9 | ||||
| 354 | E | 26 | Very low | 25.8 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 72% | 0.715 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -57.7 | 163.2 | -167.4 | -47 | 178.8 | 160.9 | 0 | 0 | 116.4 | ||
| 355 | R | 23.6 | Very low | 25.8 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | trans | 74.1 | 82.4 | 160.8 | -51.8 | 168 | -162.6 | -152.5 | 0.8 | 118.1 | ||||
| 356 | I | 27.3 | Very low | 25.5 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 62% | 0.621 | 71% | 0.713 | S | S | * | * | trans | -141.3 | 123.4 | 144.4 | -52 | 179.4 | 0 | 0 | 0 | 109.1 | F358 | I356-F358 HydrophobicContact CG2-CD2 4.05Å; I356-F358 HydrophobicContact CG2-CE2 3.54Å; I356-F358 HydrophobicContact CG2-CZ 4.23Å | ||
| 357 | W | 22.8 | Very low | 25.3 | Very low | 235 Ų | 235 | 144.4 Ų | 144.4 | 89% | 0.89 | 73% | 0.734 | S | S | * | * | trans | -95.3 | 148.8 | 176.8 | -71.8 | 67.3 | 0 | 0 | 0 | 111.6 | ||||
| 358 | F | 24.2 | Very low | 25.2 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | trans | -150.3 | 159.4 | 164.7 | -78.1 | -65.9 | 0 | 0 | 0 | 111.1 | I356 | I356-F358 HydrophobicContact CG2-CD2 4.05Å; I356-F358 HydrophobicContact CG2-CE2 3.54Å; I356-F358 HydrophobicContact CG2-CZ 4.23Å | ||
| 359 | V | 23.6 | Very low | 25.1 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 87% | 0.873 | 74% | 0.743 | S | S | * | * | trans | -104.5 | 154.1 | -159.3 | 174.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 360 | C | 22.2 | Very low | 24.9 | Very low | 87 Ų | 87 | 148 Ų | 148 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | trans | -38.7 | 145.1 | 179.6 | -159.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 361 | I | 25 | Very low | 24.8 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | -132.4 | 134.4 | 128.6 | -59.5 | -176.6 | 0 | 0 | 0 | 107.1 | |||||
| 362 | N | 23.7 | Very low | 24.7 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -106.5 | 149.1 | -176.1 | -121.6 | -25.4 | 0 | 0 | 0 | 111.5 | ||||
| 363 | G | 24.8 | Very low | 24.7 | Very low | 63 Ų | 63 | 146.7 Ų | 146.7 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | 172.4 | 97 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 364 | M | 22.8 | Very low | 24.7 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 77% | 0.768 | 77% | 0.77 | S | S | * | * | trans | 39.8 | 129.7 | 137 | -65.9 | 152.2 | 74.3 | 0 | 0 | 119.7 | ||||
| 365 | Y | 27 | Very low | 24.7 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | cis | -142 | 140.9 | -4.4 | -81.5 | -77.7 | 0 | 0 | 0 | 105.9 | ||||
| 366 | A | 25.4 | Very low | 24.9 | Very low | 89 Ų | 89 | 146.3 Ų | 146.3 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | 56.7 | 88 | 71.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 367 | N | 24 | Very low | 25.1 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -90.4 | 117.2 | 150.8 | -77.2 | -42.3 | 0 | 0 | 0 | 107.4 | ||||
| 368 | E | 26.1 | Very low | 25.4 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | 175.1 | 155.6 | 132.9 | -101.8 | -173.8 | 173 | 0 | 0 | 113.1 | ||||
| 369 | L | 24.4 | Very low | 25.7 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | trans | 44.5 | 110.6 | 158.6 | -83.3 | 75.1 | 0 | 0 | 0 | 121.4 | ||||
| 370 | L | 23.4 | Very low | 26 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | 57.5 | 133.2 | 117.8 | -65.9 | 172.1 | 0 | 0 | 0 | 122.3 | |||||
| 371 | L | 25.2 | Very low | 26.6 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | 66.1 | 100.7 | 154.3 | -88.2 | 75.6 | 0 | 0 | 0 | 119.7 | ||||
| 372 | A | 25.4 | Very low | 26.9 | Very low | 87 Ų | 87 | 141.6 Ų | 141.6 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | 59.9 | 130.6 | 115.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 373 | N | 26.2 | Very low | 27.4 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 72.8 | 104.1 | 150 | -75.9 | 5.4 | 0 | 0 | 0 | 121.5 | ||||
| 374 | W | 26.5 | Very low | 28.1 | Very low | 223 Ų | 223 | 150.7 Ų | 150.7 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | 82 | 111.6 | 118.6 | -82.2 | 25.5 | 0 | 0 | 0 | 121.2 | |||||
| 375 | T | 25.9 | Very low | 28.3 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 61% | 0.607 | 80% | 0.796 | S | S | * | * | trans | 65.2 | 112.9 | 131.7 | 62.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 376 | N | 27 | Very low | 28.4 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 66.8 | 152.1 | 143 | -48.7 | -21.3 | 0 | 0 | 0 | 116.6 | ||||
| 377 | T | 32.2 | Very low | 28.6 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | cis | -154.8 | 121.3 | 23 | -39.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 378 | C | 28.6 | Very low | 28.8 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 52.9 | -160.7 | 151.1 | -51.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 379 | P | 30.6 | Very low | 29 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | -133.7 | -169.8 | -109.2 | 41 | -20.7 | 0 | 0 | 0 | 116.1 | |||||
| 380 | N | 30.1 | Very low | 29.3 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | 91.1 | 115.9 | 176.8 | -55.3 | -77.6 | 0 | 0 | 0 | 116.4 | ||||
| 381 | I | 35.1 | Very low | 29.7 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | -159.6 | 143 | 117.7 | -95.5 | 151.6 | 0 | 0 | 0 | 106.9 | |||||
| 382 | K | 31.3 | Very low | 30.1 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -87.1 | 151.5 | -178.9 | -72.1 | -178.8 | 177.4 | 179.3 | 0 | 111.3 | ||||
| 383 | P | 33.5 | Very low | 30.5 | Very low | 124 Ų | 124 | 155.8 Ų | 155.8 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -74.6 | 159.6 | 175 | 32.7 | -36.1 | 0 | 0 | 0 | 112.6 | ||||
| 384 | F | 38.5 | Very low | 30.8 | Very low | 283 Ų | 283 | 157.4 Ų | 157.4 | 100% | 1.241 | 82% | 0.819 | S | S | * | * | trans | -96.8 | 0 | 154.4 | -84.4 | -85.2 | 0 | 0 | 0 | 109.2 |
Retrieved 384 of 384 residues in 380.9 ms
(Link to these results)