| 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 | E | 40.6 | Very low | 66.4 | Low | 239 Ų | 239 | 119.5 Ų | 119.5 | 100% | 1.117 | 68% | 0.68 | S | S | * | * | 0 | 111.7 | 0 | -80 | -174 | 120.2 | 0 | 0 | 109.1 | |||||
| 2 | M | 47.9 | Very low | 68.5 | Low | 188 Ų | 188 | 115.6 Ų | 115.6 | 93% | 0.926 | 66% | 0.655 | S | S | * | * | trans | -87.7 | 106.5 | 165.3 | -96.5 | 145.8 | 146.4 | 0 | 0 | 106.8 | L4 | M2-L4 PolarHBondContact O-N 3.47Š| ||
| 3 | S | 53.6 | Low | 70.3 | Confident | 97 Ų | 97 | 116.8 Ų | 116.8 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | trans | -61.9 | 107.4 | 178.7 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | S5 | S3-S5 PolarHBondContact O-N 3Å; S3-S5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | L | 59.1 | Low | 72 | Confident | 132 Ų | 132 | 112 Ų | 112 | 69% | 0.691 | 64% | 0.635 | S | S | * | * | trans | -67.2 | 2.9 | 176.7 | -80.8 | 158.5 | 0 | 0 | 0 | 113.9 | M2 G6 L7 L12 | M2-L4 PolarHBondContact O-N 3.47Å; L4-G6 PolarHBondContact O-N 3.5Å; L4-L7 HydrophobicContact CD2-CD1 4.26Å; L4-L12 HydrophobicContact CD2-CD2 4.48Å | ||
| 5 | S | 58.1 | Low | 73.5 | Confident | 119 Ų | 119 | 109.5 Ų | 109.5 | 83% | 0.832 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 18.2 | -170.4 | 62.4 | 0 | 0 | 0 | 0 | 115.1 | S3 | S3-S5 PolarHBondContact O-N 3Å; S3-S5 VanDerWaalsContact O-N 3.07Å |
| 6 | G | 61.5 | Low | 74.9 | Confident | 66 Ų | 66 | 106.3 Ų | 106.3 | 68% | 0.68 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.1 | 6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | L4 | L4-G6 PolarHBondContact O-N 3.5Š|
| 7 | L | 62.9 | Low | 76.2 | Confident | 67 Ų | 67 | 107.1 Ų | 107.1 | 35% | 0.351 | 61% | 0.606 | S | S | . | * | trans | -85.3 | 120.3 | 174.3 | -80.9 | 106.9 | 0 | 0 | 0 | 110.5 | L4 K11 L12 I15 | L4-L7 HydrophobicContact CD2-CD1 4.26Å; L7-K11 HydrophobicContact CD2-CB 3.9Å; L7-K11 HydrophobicContact CD2-CD 4.44Å; L7-L12 HydrophobicContact CB-CD2 4.2Å; L7-L12 HydrophobicContact CB-CG 4.1Å; L7-I15 HydrophobicContact CD2-CD1 3.92Å | ||
| 8 | D | 82.7 | Confident | 77.3 | Confident | 77 Ų | 77 | 108.2 Ų | 108.2 | 41% | 0.412 | 61% | 0.605 | S | S | . | * | trans | -54.2 | 135.2 | 165.5 | 39.6 | -33.4 | 0 | 0 | 0 | 110.6 | S10 K11 L12 | D8-S10 PolarHBondContact O-N 3.48Å; D8-K11 WeakPolarHBondContact O-CB 3.5Å; D8-K11 PolarHBondContact O-N 2.96Å; D8-K11 WeakPolarHBondContact OD1-CD 3.43Å; D8-K11 WeakPolarHBondContact OD1-CE 3.33Å; D8-K11 VanDerWaalsContact OD1-CG 3.3Å; D8-K11 WeakPolarHBondContact OD1-CG 3.43Å; D8-K11 IonicContact OD1-NZ 3.35Å; D8-K11 PolarHBondContact OD1-NZ 2.92Å; D8-K11 WeakPolarHBondContact OD2-CE 3.33Å; D8-K11 IonicContact OD2-NZ 3.62Å; D8-K11 PolarHBondContact OD2-NZ 3.44Å; D8-L12 PolarHBondContact O-N 3.44Å | ||
| 9 | N | 85 | Confident | 78.4 | Confident | 132 Ų | 132 | 107.5 Ų | 107.5 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -50.4 | -32.4 | -176.3 | -78.1 | -32.9 | 0 | 0 | 0 | 113.4 | K11 L12 E13 | N9-K11 PolarHBondContact O-N 3.31Å; N9-L12 PolarHBondContact O-N 2.81Å; N9-E13 WeakPolarHBondContact O-CB 3.46Å; N9-E13 PolarHBondContact O-N 2.92Å |
| 10 | S | 88.8 | Confident | 79.3 | Confident | 87 Ų | 87 | 109.7 Ų | 109.7 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.5 | -39.4 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 113 | D8 E13 A14 | D8-S10 PolarHBondContact O-N 3.48Å; S10-E13 PolarHBondContact O-N 2.98Å; S10-A14 WeakPolarHBondContact O-CB 3.38Å; S10-A14 PolarHBondContact O-N 3.39Å |
| 11 | K | 90.4 | Very high | 80.2 | Confident | 110 Ų | 110 | 106.3 Ų | 106.3 | 48% | 0.478 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.6 | -35.6 | 176.1 | -67.2 | -172 | -165.2 | 131.7 | 0 | 112.1 | L7 D8 N9 E13 A14 I15 | L7-K11 HydrophobicContact CD2-CB 3.9Å; L7-K11 HydrophobicContact CD2-CD 4.44Å; D8-K11 WeakPolarHBondContact O-CB 3.5Å; D8-K11 PolarHBondContact O-N 2.96Å; D8-K11 WeakPolarHBondContact OD1-CD 3.43Å; D8-K11 WeakPolarHBondContact OD1-CE 3.33Å; D8-K11 VanDerWaalsContact OD1-CG 3.3Å; D8-K11 WeakPolarHBondContact OD1-CG 3.43Å; D8-K11 IonicContact OD1-NZ 3.35Å; D8-K11 PolarHBondContact OD1-NZ 2.92Å; D8-K11 WeakPolarHBondContact OD2-CE 3.33Å; D8-K11 IonicContact OD2-NZ 3.62Å; D8-K11 PolarHBondContact OD2-NZ 3.44Å; N9-K11 PolarHBondContact O-N 3.31Å; K11-E13 VanDerWaalsContact C-N 3.31Å; K11-A14 PolarHBondContact O-N 3.42Å; K11-I15 WeakPolarHBondContact O-CD1 3.24Å; K11-I15 VanDerWaalsContact O-CG1 3.24Å; K11-I15 WeakPolarHBondContact O-CG1 3.28Å; K11-I15 PolarHBondContact O-N 2.91Å |
| 12 | L | 91.3 | Very high | 82.9 | Confident | 73 Ų | 73 | 99.5 Ų | 99.5 | 38% | 0.382 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 173.1 | -71.7 | 174.9 | 0 | 0 | 0 | 111.2 | L4 L7 D8 N9 I15 A16 | L4-L12 HydrophobicContact CD2-CD2 4.48Å; L7-L12 HydrophobicContact CB-CD2 4.2Å; L7-L12 HydrophobicContact CB-CG 4.1Å; D8-L12 PolarHBondContact O-N 3.44Å; N9-L12 PolarHBondContact O-N 2.81Å; L12-I15 PolarHBondContact O-N 3.4Å; L12-A16 WeakPolarHBondContact O-CB 3.01Å; L12-A16 PolarHBondContact O-N 2.96Å |
| 13 | E | 92.4 | Very high | 85.3 | Confident | 131 Ų | 131 | 95.6 Ų | 95.6 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.2 | -39 | 176.3 | -168.8 | 163.3 | -165.9 | 0 | 0 | 111.9 | N9 S10 K11 A16 Q17 | N9-E13 WeakPolarHBondContact O-CB 3.46Å; N9-E13 PolarHBondContact O-N 2.92Å; S10-E13 PolarHBondContact O-N 2.98Å; K11-E13 VanDerWaalsContact C-N 3.31Å; E13-A16 PolarHBondContact O-N 3.3Å; E13-Q17 WeakPolarHBondContact O-CB 3.49Å; E13-Q17 VanDerWaalsContact O-CG 3.28Å; E13-Q17 WeakPolarHBondContact O-CG 3.06Å; E13-Q17 PolarHBondContact O-N 2.92Å |
| 14 | A | 93.8 | Very high | 87.4 | Confident | 50 Ų | 50 | 93.7 Ų | 93.7 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | S10 K11 A16 Q17 E18 | S10-A14 WeakPolarHBondContact O-CB 3.38Å; S10-A14 PolarHBondContact O-N 3.39Å; K11-A14 PolarHBondContact O-N 3.42Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.3Å; A14-Q17 PolarHBondContact O-N 3.18Å; A14-E18 PolarHBondContact O-N 2.96Å |
| 15 | I | 95 | Very high | 89.2 | Confident | 75 Ų | 75 | 93.2 Ų | 93.2 | 39% | 0.385 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 176.6 | -67.1 | 163.7 | 0 | 0 | 0 | 110.8 | L7 K11 L12 Q17 E18 I19 | L7-I15 HydrophobicContact CD2-CD1 3.92Å; K11-I15 WeakPolarHBondContact O-CD1 3.24Å; K11-I15 VanDerWaalsContact O-CG1 3.24Å; K11-I15 WeakPolarHBondContact O-CG1 3.28Å; K11-I15 PolarHBondContact O-N 2.91Å; L12-I15 PolarHBondContact O-N 3.4Å; I15-Q17 VanDerWaalsContact C-N 3.34Å; I15-Q17 PolarHBondContact O-N 2.88Å; I15-E18 PolarHBondContact O-N 3.36Å; I15-I19 HydrophobicContact CG2-CD1 3.89Å; I15-I19 HydrophobicContact CG2-CG1 4.5Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 2.83Å; I15-I19 PolarHBondContact O-N 3.24Å |
| 16 | A | 95.7 | Very high | 91.1 | Very high | 57 Ų | 57 | 92.8 Ų | 92.8 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 E13 A14 Y20 | L12-A16 WeakPolarHBondContact O-CB 3.01Å; L12-A16 PolarHBondContact O-N 2.96Å; E13-A16 PolarHBondContact O-N 3.3Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.3Å; A16-Y20 WeakPolarHBondContact O-CB 3.3Å; A16-Y20 PolarHBondContact O-N 2.69Å |
| 17 | Q | 95.8 | Very high | 92.8 | Very high | 120 Ų | 120 | 93.7 Ų | 93.7 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.6 | -40.5 | 174.6 | -73.2 | -75.1 | -19.7 | 0 | 0 | 112 | E13 A14 I15 Y20 A21 | E13-Q17 WeakPolarHBondContact O-CB 3.49Å; E13-Q17 VanDerWaalsContact O-CG 3.28Å; E13-Q17 WeakPolarHBondContact O-CG 3.06Å; E13-Q17 PolarHBondContact O-N 2.92Å; A14-Q17 PolarHBondContact O-N 3.18Å; I15-Q17 VanDerWaalsContact C-N 3.34Å; I15-Q17 PolarHBondContact O-N 2.88Å; Q17-Y20 PolarHBondContact O-N 3.35Å; Q17-A21 WeakPolarHBondContact O-CB 3.35Å; Q17-A21 PolarHBondContact O-N 3.07Å |
| 18 | E | 96.9 | Very high | 94.5 | Very high | 127 Ų | 127 | 93.9 Ų | 93.9 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -49.5 | 174.5 | -74.8 | -179.1 | 172 | 0 | 0 | 111.2 | A14 I15 Y20 A21 D22 | A14-E18 PolarHBondContact O-N 2.96Å; I15-E18 PolarHBondContact O-N 3.36Å; E18-Y20 VanDerWaalsContact C-N 3.29Å; E18-Y20 PolarHBondContact O-N 2.98Å; E18-A21 PolarHBondContact O-N 3.43Å; E18-D22 PolarHBondContact O-N 3.49Å |
| 19 | I | 97.3 | Very high | 95.1 | Very high | 96 Ų | 96 | 94.4 Ų | 94.4 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 177.2 | -65.8 | 166.4 | 0 | 0 | 0 | 111.1 | I15 L23 | I15-I19 HydrophobicContact CG2-CD1 3.89Å; I15-I19 HydrophobicContact CG2-CG1 4.5Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 2.83Å; I15-I19 PolarHBondContact O-N 3.24Å; I19-L23 HydrophobicContact CG2-CD1 4.18Å; I19-L23 VanDerWaalsContact O-CG 3.29Å; I19-L23 WeakPolarHBondContact O-CG 3.39Å; I19-L23 PolarHBondContact O-N 3.39Å; I19-L23 VanDerWaalsContact O-N 3.12Å |
| 20 | Y | 97.7 | Very high | 95.7 | Very high | 151 Ų | 151 | 89.8 Ų | 89.8 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 177.2 | 175.6 | -100.6 | 0 | 0 | 0 | 111.9 | A16 Q17 E18 L23 V24 | A16-Y20 WeakPolarHBondContact O-CB 3.3Å; A16-Y20 PolarHBondContact O-N 2.69Å; Q17-Y20 PolarHBondContact O-N 3.35Å; E18-Y20 VanDerWaalsContact C-N 3.29Å; E18-Y20 PolarHBondContact O-N 2.98Å; Y20-L23 PolarHBondContact O-N 2.99Å; Y20-V24 HydrophobicContact CD1-CG2 4.31Å; Y20-V24 HydrophobicContact CD2-CG2 4.44Å; Y20-V24 HydrophobicContact CE1-CG2 3.83Å; Y20-V24 HydrophobicContact CE2-CG2 3.97Å; Y20-V24 WeakPolarHBondContact O-CG2 3.29Å; Y20-V24 PolarHBondContact O-N 3.14Å |
| 21 | A | 97.7 | Very high | 96 | Very high | 38 Ų | 38 | 92 Ų | 92 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q17 E18 L23 V24 E25 | Q17-A21 WeakPolarHBondContact O-CB 3.35Å; Q17-A21 PolarHBondContact O-N 3.07Å; E18-A21 PolarHBondContact O-N 3.43Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.73Å; A21-V24 PolarHBondContact O-N 3.04Å; A21-V24 VanDerWaalsContact O-N 3.14Å; A21-E25 WeakPolarHBondContact O-CG 3.32Å; A21-E25 PolarHBondContact O-N 3.36Å |
| 22 | D | 97.8 | Very high | 96.3 | Very high | 96 Ų | 96 | 90.1 Ų | 90.1 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.4 | -45.1 | 177.6 | -71.6 | -10.8 | 0 | 0 | 0 | 111.5 | E18 V24 E25 D26 | E18-D22 PolarHBondContact O-N 3.49Å; D22-V24 VanDerWaalsContact C-N 3.34Å; D22-V24 PolarHBondContact O-N 2.73Å; D22-E25 PolarHBondContact O-N 3.12Å; D22-D26 WeakPolarHBondContact O-CB 3.35Å; D22-D26 PolarHBondContact O-N 3.34Å |
| 23 | L | 97.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 93.3 Ų | 93.3 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -37.9 | 178.3 | -70.5 | 173.5 | 0 | 0 | 0 | 112.8 | I19 Y20 A21 S27 | I19-L23 HydrophobicContact CG2-CD1 4.18Å; I19-L23 VanDerWaalsContact O-CG 3.29Å; I19-L23 WeakPolarHBondContact O-CG 3.39Å; I19-L23 PolarHBondContact O-N 3.39Å; I19-L23 VanDerWaalsContact O-N 3.12Å; Y20-L23 PolarHBondContact O-N 2.99Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-L23 PolarHBondContact O-N 2.73Å; L23-S27 WeakPolarHBondContact O-CB 3.39Å; L23-S27 PolarHBondContact O-N 3Å; L23-S27 VanDerWaalsContact O-N 3.08Å; L23-S27 PolarHBondContact O-OG 3.43Å |
| 24 | V | 98 | Very high | 96.7 | Very high | 57 Ų | 57 | 92.7 Ų | 92.7 | 35% | 0.345 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68 | -45.3 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | Y20 A21 D22 S27 C28 | Y20-V24 HydrophobicContact CD1-CG2 4.31Å; Y20-V24 HydrophobicContact CD2-CG2 4.44Å; Y20-V24 HydrophobicContact CE1-CG2 3.83Å; Y20-V24 HydrophobicContact CE2-CG2 3.97Å; Y20-V24 WeakPolarHBondContact O-CG2 3.29Å; Y20-V24 PolarHBondContact O-N 3.14Å; A21-V24 PolarHBondContact O-N 3.04Å; A21-V24 VanDerWaalsContact O-N 3.14Å; D22-V24 VanDerWaalsContact C-N 3.34Å; D22-V24 PolarHBondContact O-N 2.73Å; V24-S27 PolarHBondContact O-N 3.08Å; V24-C28 WeakPolarHBondContact O-CB 3.4Å; V24-C28 PolarHBondContact O-N 3.04Å; V24-C28 PolarHBondContact O-SG 3.36Å |
| 25 | E | 97.5 | Very high | 96.7 | Very high | 121 Ų | 121 | 92.3 Ų | 92.3 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61 | -45.8 | 178.5 | -73.6 | -176.8 | -168.1 | 0 | 0 | 111.7 | A21 D22 S27 C28 L29 | A21-E25 WeakPolarHBondContact O-CG 3.32Å; A21-E25 PolarHBondContact O-N 3.36Å; D22-E25 PolarHBondContact O-N 3.12Å; E25-S27 VanDerWaalsContact C-N 3.34Å; E25-S27 PolarHBondContact O-N 3.36Å; E25-C28 PolarHBondContact O-N 3.29Å; E25-L29 WeakPolarHBondContact O-CB 3.31Å; E25-L29 WeakPolarHBondContact O-CG 3.29Å; E25-L29 PolarHBondContact O-N 3.14Å |
| 26 | D | 97.5 | Very high | 96.7 | Very high | 111 Ų | 111 | 93.6 Ų | 93.6 | 59% | 0.594 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 175.9 | -83.7 | -10.2 | 0 | 0 | 0 | 111.9 | D22 L29 G30 | D22-D26 WeakPolarHBondContact O-CB 3.35Å; D22-D26 PolarHBondContact O-N 3.34Å; D26-L29 PolarHBondContact O-N 2.92Å; D26-G30 PolarHBondContact O-N 3.26Å |
| 27 | S | 97.1 | Very high | 96.7 | Very high | 85 Ų | 85 | 97.9 Ų | 97.9 | 59% | 0.594 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 176.4 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | L23 V24 E25 G30 F31 | L23-S27 WeakPolarHBondContact O-CB 3.39Å; L23-S27 PolarHBondContact O-N 3Å; L23-S27 VanDerWaalsContact O-N 3.08Å; L23-S27 PolarHBondContact O-OG 3.43Å; V24-S27 PolarHBondContact O-N 3.08Å; E25-S27 VanDerWaalsContact C-N 3.34Å; E25-S27 PolarHBondContact O-N 3.36Å; S27-G30 PolarHBondContact O-N 3Å; S27-F31 PolarHBondContact O-N 2.96Å; S27-F31 VanDerWaalsContact O-N 3.08Å |
| 28 | C | 97.6 | Very high | 96.6 | Very high | 70 Ų | 70 | 92.7 Ų | 92.7 | 47% | 0.473 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 177 | -74.7 | 0 | 0 | 0 | 0 | 111.8 | V24 E25 F31 C32 | V24-C28 WeakPolarHBondContact O-CB 3.4Å; V24-C28 PolarHBondContact O-N 3.04Å; V24-C28 PolarHBondContact O-SG 3.36Å; E25-C28 PolarHBondContact O-N 3.29Å; C28-F31 PolarHBondContact O-N 3.44Å; C28-C32 PolarHBondContact O-N 2.83Å; C28-C32 PolarHBondContact O-SG 3.3Å |
| 29 | L | 96.9 | Very high | 96.4 | Very high | 89 Ų | 89 | 90.3 Ų | 90.3 | 47% | 0.466 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.6 | -77.4 | 170.4 | 0 | 0 | 0 | 111.3 | E25 D26 F31 C32 F33 | E25-L29 WeakPolarHBondContact O-CB 3.31Å; E25-L29 WeakPolarHBondContact O-CG 3.29Å; E25-L29 PolarHBondContact O-N 3.14Å; D26-L29 PolarHBondContact O-N 2.92Å; L29-F31 PolarHBondContact O-N 2.92Å; L29-C32 WeakPolarHBondContact O-CB 3.41Å; L29-C32 PolarHBondContact O-N 3.44Å; L29-F33 HydrophobicContact CB-CE2 4.31Å; L29-F33 WeakPolarHBondContact O-CD2 3.48Å; L29-F33 WeakPolarHBondContact O-CG 3.22Å; L29-F33 PolarHBondContact O-N 3.33Å |
| 30 | G | 96.3 | Very high | 96.3 | Very high | 34 Ų | 34 | 93.1 Ų | 93.1 | 35% | 0.351 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -53.5 | -51.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | D26 S27 C32 F33 E34 | D26-G30 PolarHBondContact O-N 3.26Å; S27-G30 PolarHBondContact O-N 3Å; G30-C32 PolarHBondContact O-N 2.85Å; G30-F33 PolarHBondContact O-N 3.08Å; G30-E34 PolarHBondContact O-N 3.38Å |
| 31 | F | 95.7 | Very high | 96 | Very high | 133 Ų | 133 | 90.1 Ų | 90.1 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.4 | -43 | 176.4 | -179.5 | -101.8 | 0 | 0 | 0 | 112.8 | S27 C28 L29 F33 E34 V35 | S27-F31 PolarHBondContact O-N 2.96Å; S27-F31 VanDerWaalsContact O-N 3.08Å; C28-F31 PolarHBondContact O-N 3.44Å; L29-F31 PolarHBondContact O-N 2.92Å; F31-F33 VanDerWaalsContact C-N 3.28Å; F31-F33 PolarHBondContact O-N 2.85Å; F31-E34 PolarHBondContact O-N 3.21Å; F31-V35 HydrophobicContact CD1-CG2 4.24Å; F31-V35 HydrophobicContact CE1-CG2 3.74Å; F31-V35 HydrophobicContact CE2-CG2 4.12Å; F31-V35 HydrophobicContact CZ-CG2 3.68Å; F31-V35 WeakPolarHBondContact O-CG2 3.01Å; F31-V35 PolarHBondContact O-N 3.15Å |
| 32 | C | 96.6 | Very high | 95.5 | Very high | 72 Ų | 72 | 91.2 Ų | 91.2 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 176.8 | -69.7 | 0 | 0 | 0 | 0 | 112 | C28 L29 G30 H36 | C28-C32 PolarHBondContact O-N 2.83Å; C28-C32 PolarHBondContact O-SG 3.3Å; L29-C32 WeakPolarHBondContact O-CB 3.41Å; L29-C32 PolarHBondContact O-N 3.44Å; G30-C32 PolarHBondContact O-N 2.85Å; C32-H36 VanDerWaalsContact O-CB 3.25Å; C32-H36 WeakPolarHBondContact O-CB 3.38Å; C32-H36 PolarHBondContact O-N 3.19Å |
| 33 | F | 96.8 | Very high | 94.9 | Very high | 139 Ų | 139 | 90.8 Ų | 90.8 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.2 | -37.5 | 177.2 | -72.6 | -52.5 | 0 | 0 | 0 | 112.7 | L29 G30 F31 H36 R37 | L29-F33 HydrophobicContact CB-CE2 4.31Å; L29-F33 WeakPolarHBondContact O-CD2 3.48Å; L29-F33 WeakPolarHBondContact O-CG 3.22Å; L29-F33 PolarHBondContact O-N 3.33Å; G30-F33 PolarHBondContact O-N 3.08Å; F31-F33 VanDerWaalsContact C-N 3.28Å; F31-F33 PolarHBondContact O-N 2.85Å; F33-H36 PolarHBondContact O-N 3.18Å; F33-R37 WeakPolarHBondContact O-CB 3.45Å; F33-R37 PolarHBondContact O-N 3.27Å |
| 34 | E | 94.4 | Very high | 94.1 | Very high | 119 Ų | 119 | 89.9 Ų | 89.9 | 56% | 0.556 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.2 | -47.9 | 174.1 | -72.4 | -175.2 | 165.3 | 0 | 0 | 111.7 | G30 F31 R37 A38 | G30-E34 PolarHBondContact O-N 3.38Å; F31-E34 PolarHBondContact O-N 3.21Å; E34-R37 WeakPolarHBondContact O-CB 3.49Å; E34-R37 PolarHBondContact O-N 3.15Å; E34-A38 WeakPolarHBondContact O-CB 3.44Å; E34-A38 PolarHBondContact O-N 3.48Å |
| 35 | V | 94.3 | Very high | 92.9 | Very high | 41 Ų | 41 | 93.9 Ų | 93.9 | 25% | 0.248 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | 175.4 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | F31 R37 A38 V39 F44 | F31-V35 HydrophobicContact CD1-CG2 4.24Å; F31-V35 HydrophobicContact CE1-CG2 3.74Å; F31-V35 HydrophobicContact CE2-CG2 4.12Å; F31-V35 HydrophobicContact CZ-CG2 3.68Å; F31-V35 WeakPolarHBondContact O-CG2 3.01Å; F31-V35 PolarHBondContact O-N 3.15Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 3.29Å; V35-A38 WeakPolarHBondContact O-CB 3.44Å; V35-A38 PolarHBondContact O-N 3.07Å; V35-A38 VanDerWaalsContact O-N 3.17Å; V35-V39 WeakPolarHBondContact O-CG2 3.31Å; V35-V39 PolarHBondContact O-N 3.04Å; V35-F44 HydrophobicContact CB-CE2 4.3Å; V35-F44 HydrophobicContact CG1-CD2 4.12Å; V35-F44 HydrophobicContact CG1-CE2 3.53Å; V35-F44 HydrophobicContact CG1-CZ 4.03Å; V35-F44 HydrophobicContact CG2-CE2 4.2Å |
| 36 | H | 96.1 | Very high | 91.4 | Very high | 102 Ų | 102 | 93.7 Ų | 93.7 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 177.6 | 177.1 | -105.9 | 0 | 0 | 0 | 111.9 | C32 F33 V39 K40 | C32-H36 VanDerWaalsContact O-CB 3.25Å; C32-H36 WeakPolarHBondContact O-CB 3.38Å; C32-H36 PolarHBondContact O-N 3.19Å; F33-H36 PolarHBondContact O-N 3.18Å; H36-V39 PolarHBondContact O-N 3.46Å; H36-K40 WeakPolarHBondContact NE2-CE 3.36Å; H36-K40 WeakPolarHBondContact O-CB 3.5Å; H36-K40 VanDerWaalsContact O-CG 3.31Å; H36-K40 WeakPolarHBondContact O-CG 3.44Å; H36-K40 PolarHBondContact O-N 3.28Å |
| 37 | R | 95.6 | Very high | 89.7 | Confident | 148 Ų | 148 | 94.7 Ų | 94.7 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -46.1 | 174.5 | -171.5 | -176.6 | 81.3 | -177 | 8.6 | 110.6 | F33 E34 V35 V39 K40 C41 Y43 | F33-R37 WeakPolarHBondContact O-CB 3.45Å; F33-R37 PolarHBondContact O-N 3.27Å; E34-R37 WeakPolarHBondContact O-CB 3.49Å; E34-R37 PolarHBondContact O-N 3.15Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 3.29Å; R37-V39 VanDerWaalsContact C-N 3.33Å; R37-V39 PolarHBondContact O-N 3.45Å; R37-K40 PolarHBondContact O-N 3.18Å; R37-C41 VanDerWaalsContact O-CB 3.27Å; R37-C41 WeakPolarHBondContact O-CB 3.45Å; R37-C41 PolarHBondContact O-N 2.9Å; R37-C41 PolarHBondContact O-SG 3.17Å; R37-C41 VanDerWaalsContact O-SG 3.38Å; R37-Y43 PolarHBondContact NE-OH 2.92Å; R37-Y43 PolarHBondContact NH2-OH 3.48Å |
| 38 | A | 92.6 | Very high | 88 | Confident | 10 Ų | 10 | 96.6 Ų | 96.6 | 8% | 0.083 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E34 V35 G42 Y43 F44 | E34-A38 WeakPolarHBondContact O-CB 3.44Å; E34-A38 PolarHBondContact O-N 3.48Å; V35-A38 WeakPolarHBondContact O-CB 3.44Å; V35-A38 PolarHBondContact O-N 3.07Å; V35-A38 VanDerWaalsContact O-N 3.17Å; A38-G42 PolarHBondContact O-N 3.24Å; A38-Y43 VanDerWaalsContact CA-CZ 3.45Å; A38-Y43 HydrophobicContact CB-CD2 3.63Å; A38-Y43 HydrophobicContact CB-CE2 3.28Å; A38-Y43 HydrophobicContact CB-CG 4.45Å; A38-Y43 PolarHBondContact O-N 2.86Å; A38-F44 HydrophobicContact CB-CB 3.95Å; A38-F44 HydrophobicContact CB-CD2 3.95Å; A38-F44 HydrophobicContact CB-CG 4.45Å; A38-F44 PolarHBondContact O-N 3.38Å |
| 39 | V | 93.2 | Very high | 86.2 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 177 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | V35 H36 R37 C41 G42 F44 | V35-V39 WeakPolarHBondContact O-CG2 3.31Å; V35-V39 PolarHBondContact O-N 3.04Å; H36-V39 PolarHBondContact O-N 3.46Å; R37-V39 VanDerWaalsContact C-N 3.33Å; R37-V39 PolarHBondContact O-N 3.45Å; V39-C41 PolarHBondContact O-N 2.91Å; V39-G42 PolarHBondContact O-N 3.24Å; V39-F44 HydrophobicContact CB-CB 4.4Å; V39-F44 HydrophobicContact CG2-CB 3.68Å; V39-F44 HydrophobicContact CG2-CD1 3.75Å; V39-F44 HydrophobicContact CG2-CD2 3.97Å; V39-F44 HydrophobicContact CG2-CE1 4.38Å; V39-F44 HydrophobicContact CG2-CG 3.51Å |
| 40 | K | 94.6 | Very high | 84.8 | Confident | 156 Ų | 156 | 97.4 Ų | 97.4 | 68% | 0.678 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.7 | -37.1 | -179.3 | -74.5 | -65.5 | -175.9 | -175.1 | 0 | 113.5 | H36 R37 G42 | H36-K40 WeakPolarHBondContact NE2-CE 3.36Å; H36-K40 WeakPolarHBondContact O-CB 3.5Å; H36-K40 VanDerWaalsContact O-CG 3.31Å; H36-K40 WeakPolarHBondContact O-CG 3.44Å; H36-K40 PolarHBondContact O-N 3.28Å; R37-K40 PolarHBondContact O-N 3.18Å; K40-G42 VanDerWaalsContact C-N 3.27Å |
| 41 | C | 92.1 | Very high | 83.3 | Confident | 88 Ų | 88 | 100.3 Ų | 100.3 | 60% | 0.595 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -83.7 | -4.5 | 176.3 | -66.4 | 0 | 0 | 0 | 0 | 112.8 | R37 V39 Y43 | R37-C41 VanDerWaalsContact O-CB 3.27Å; R37-C41 WeakPolarHBondContact O-CB 3.45Å; R37-C41 PolarHBondContact O-N 2.9Å; R37-C41 PolarHBondContact O-SG 3.17Å; R37-C41 VanDerWaalsContact O-SG 3.38Å; V39-C41 PolarHBondContact O-N 2.91Å; C41-Y43 HydrophobicContact CB-CD1 3.41Å; C41-Y43 VanDerWaalsContact CB-CD1 3.41Å; C41-Y43 HydrophobicContact CB-CE1 3.24Å |
| 42 | G | 86.5 | Confident | 81.7 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 62% | 0.619 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 21.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | A38 V39 K40 | A38-G42 PolarHBondContact O-N 3.24Å; V39-G42 PolarHBondContact O-N 3.24Å; K40-G42 VanDerWaalsContact C-N 3.27Å |
| 43 | Y | 85.3 | Confident | 80.1 | Confident | 87 Ų | 87 | 97.9 Ų | 97.9 | 34% | 0.341 | 51% | 0.51 | S | S | . | . | trans | -109.6 | 1.9 | 177.7 | 61.7 | -101.6 | 0 | 0 | 0 | 114.9 | R37 A38 C41 F45 L46 | R37-Y43 PolarHBondContact NE-OH 2.92Å; R37-Y43 PolarHBondContact NH2-OH 3.48Å; A38-Y43 VanDerWaalsContact CA-CZ 3.45Å; A38-Y43 HydrophobicContact CB-CD2 3.63Å; A38-Y43 HydrophobicContact CB-CE2 3.28Å; A38-Y43 HydrophobicContact CB-CG 4.45Å; A38-Y43 PolarHBondContact O-N 2.86Å; C41-Y43 HydrophobicContact CB-CD1 3.41Å; C41-Y43 VanDerWaalsContact CB-CD1 3.41Å; C41-Y43 HydrophobicContact CB-CE1 3.24Å; Y43-F45 VanDerWaalsContact C-N 3.28Å; Y43-F45 PolarHBondContact O-N 3.27Å; Y43-L46 VanDerWaalsContact CB-CD1 3.47Å; Y43-L46 PolarHBondContact O-N 3.45Å | ||
| 44 | F | 82.1 | Confident | 78.7 | Confident | 89 Ų | 89 | 95.9 Ų | 95.9 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -33.9 | -178.5 | -173.6 | -111.1 | 0 | 0 | 0 | 114.3 | V35 A38 V39 | V35-F44 HydrophobicContact CB-CE2 4.3Å; V35-F44 HydrophobicContact CG1-CD2 4.12Å; V35-F44 HydrophobicContact CG1-CE2 3.53Å; V35-F44 HydrophobicContact CG1-CZ 4.03Å; V35-F44 HydrophobicContact CG2-CE2 4.2Å; A38-F44 HydrophobicContact CB-CB 3.95Å; A38-F44 HydrophobicContact CB-CD2 3.95Å; A38-F44 HydrophobicContact CB-CG 4.45Å; A38-F44 PolarHBondContact O-N 3.38Å; V39-F44 HydrophobicContact CB-CB 4.4Å; V39-F44 HydrophobicContact CG2-CB 3.68Å; V39-F44 HydrophobicContact CG2-CD1 3.75Å; V39-F44 HydrophobicContact CG2-CD2 3.97Å; V39-F44 HydrophobicContact CG2-CE1 4.38Å; V39-F44 HydrophobicContact CG2-CG 3.51Å |
| 45 | F | 72.9 | Confident | 77.4 | Confident | 141 Ų | 141 | 96.6 Ų | 96.6 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 14 | -178.9 | -66.8 | -71.1 | 0 | 0 | 0 | 113.5 | Y43 D47 D48 | Y43-F45 VanDerWaalsContact C-N 3.28Å; Y43-F45 PolarHBondContact O-N 3.27Å; F45-D47 VanDerWaalsContact C-N 3.26Å; F45-D47 PolarHBondContact O-N 2.88Å; F45-D48 HydrophobicContact CB-CB 4.48Å; F45-D48 HydrophobicContact CD1-CB 4.24Å; F45-D48 VanDerWaalsContact CD1-OD2 3.22Å; F45-D48 WeakPolarHBondContact CD1-OD2 3.22Å; F45-D48 PolarHBondContact O-N 3Å |
| 46 | L | 66.4 | Low | 75.9 | Confident | 116 Ų | 116 | 100.6 Ų | 100.6 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -69 | -29.7 | 177.3 | -68 | 179.8 | 0 | 0 | 0 | 112 | Y43 | Y43-L46 VanDerWaalsContact CB-CD1 3.47Å; Y43-L46 PolarHBondContact O-N 3.45Å |
| 47 | D | 61.5 | Low | 74.4 | Confident | 133 Ų | 133 | 102.3 Ų | 102.3 | 71% | 0.711 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -81.9 | -11.6 | 175 | -78 | -4.4 | 0 | 0 | 0 | 113 | F45 T49 M54 | F45-D47 VanDerWaalsContact C-N 3.26Å; F45-D47 PolarHBondContact O-N 2.88Å; D47-T49 PolarHBondContact O-N 3.21Å; D47-M54 WeakPolarHBondContact O-CE 3.39Å |
| 48 | D | 60.3 | Low | 73.4 | Confident | 125 Ų | 125 | 101.5 Ų | 101.5 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | trans | -82.9 | 36 | 173.2 | -85.8 | -7.1 | 0 | 0 | 0 | 111.6 | F45 | F45-D48 HydrophobicContact CB-CB 4.48Å; F45-D48 HydrophobicContact CD1-CB 4.24Å; F45-D48 VanDerWaalsContact CD1-OD2 3.22Å; F45-D48 WeakPolarHBondContact CD1-OD2 3.22Å; F45-D48 PolarHBondContact O-N 3Å | ||
| 49 | T | 60.4 | Low | 72.7 | Confident | 60 Ų | 60 | 107.3 Ų | 107.3 | 37% | 0.368 | 56% | 0.562 | S | S | . | * | trans | -73.3 | 136.4 | 167.5 | 31.2 | 0 | 0 | 0 | 0 | 108.7 | D47 | D47-T49 PolarHBondContact O-N 3.21Š| ||
| 50 | D | 66.4 | Low | 72.1 | Confident | 115 Ų | 115 | 105.7 Ų | 105.7 | 62% | 0.615 | 55% | 0.553 | S | S | * | * | trans | -44 | 143.5 | -179.3 | -74.9 | -62.9 | 0 | 0 | 0 | 111.1 | D52 S53 M54 | D50-D52 PolarHBondContact O-N 2.8Å; D50-S53 CarbonylContact O-C 3.51Å; D50-S53 VanDerWaalsContact O-CA 3.32Å; D50-S53 WeakPolarHBondContact O-CA 3.25Å; D50-S53 VanDerWaalsContact O-CB 3.29Å; D50-S53 WeakPolarHBondContact O-CB 3.08Å; D50-S53 PolarHBondContact O-N 3.35Å; D50-M54 PolarHBondContact O-N 2.93Å | ||
| 51 | P | 65.2 | Low | 71.4 | Confident | 96 Ų | 96 | 105.9 Ų | 105.9 | 62% | 0.623 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.4 | -24.4 | -178.9 | 22 | -33.3 | 0 | 0 | 0 | 113.2 | ||
| 52 | D | 61.8 | Low | 70.8 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74.9 | -33.9 | 171.2 | -69.9 | -36.6 | 0 | 0 | 0 | 112.7 | D50 K55 | D50-D52 PolarHBondContact O-N 2.8Å; D52-K55 PolarHBondContact O-N 3.18Å |
| 53 | S | 64.7 | Low | 70.4 | Confident | 40 Ų | 40 | 111 Ų | 111 | 28% | 0.28 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.2 | -34.7 | 172.8 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | D50 K55 D56 F57 | D50-S53 CarbonylContact O-C 3.51Å; D50-S53 VanDerWaalsContact O-CA 3.32Å; D50-S53 WeakPolarHBondContact O-CA 3.25Å; D50-S53 VanDerWaalsContact O-CB 3.29Å; D50-S53 WeakPolarHBondContact O-CB 3.08Å; D50-S53 PolarHBondContact O-N 3.35Å; S53-K55 VanDerWaalsContact C-N 3.27Å; S53-K55 PolarHBondContact O-N 3.5Å; S53-D56 WeakPolarHBondContact O-CB 3.31Å; S53-D56 PolarHBondContact O-N 2.89Å; S53-F57 WeakPolarHBondContact O-CD2 3.16Å; S53-F57 WeakPolarHBondContact O-CE2 3.5Å |
| 54 | M | 65.6 | Low | 70.2 | Confident | 98 Ų | 98 | 109.9 Ų | 109.9 | 48% | 0.483 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.1 | -34.1 | 174.4 | -74.6 | -173.5 | -178.8 | 0 | 0 | 112.7 | D47 D50 D56 F57 E58 | D47-M54 WeakPolarHBondContact O-CE 3.39Å; D50-M54 PolarHBondContact O-N 2.93Å; M54-D56 VanDerWaalsContact C-N 3.31Å; M54-D56 PolarHBondContact O-N 3.31Å; M54-F57 CarbonylContact O-C 3.51Å; M54-F57 PolarHBondContact O-N 3.35Å; M54-E58 PolarHBondContact O-N 3.45Å; M54-E58 VanDerWaalsContact O-N 3.15Å |
| 55 | K | 67.4 | Low | 70.3 | Confident | 134 Ų | 134 | 108.3 Ų | 108.3 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.7 | -32.7 | 175.2 | -76.2 | 177 | -177.9 | 164.6 | 0 | 112.9 | D52 S53 F57 E58 | D52-K55 PolarHBondContact O-N 3.18Å; S53-K55 VanDerWaalsContact C-N 3.27Å; S53-K55 PolarHBondContact O-N 3.5Å; K55-F57 PolarHBondContact O-N 3.01Å; K55-E58 VanDerWaalsContact O-CB 3.31Å; K55-E58 WeakPolarHBondContact O-CB 3.43Å; K55-E58 PolarHBondContact O-N 3.44Å; K55-E58 VanDerWaalsContact O-N 3.15Å |
| 56 | D | 63.5 | Low | 70.8 | Confident | 124 Ų | 124 | 104 Ų | 104 | 66% | 0.663 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.1 | -18.8 | 176.4 | -70.5 | -20.4 | 0 | 0 | 0 | 112.5 | S53 M54 | S53-D56 WeakPolarHBondContact O-CB 3.31Å; S53-D56 PolarHBondContact O-N 2.89Å; M54-D56 VanDerWaalsContact C-N 3.31Å; M54-D56 PolarHBondContact O-N 3.31Å |
| 57 | F | 63.7 | Low | 71.7 | Confident | 138 Ų | 138 | 103.3 Ų | 103.3 | 61% | 0.605 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 3.6 | 174.1 | -56.5 | -71.5 | 0 | 0 | 0 | 113.3 | S53 M54 K55 I59 | S53-F57 WeakPolarHBondContact O-CD2 3.16Å; S53-F57 WeakPolarHBondContact O-CE2 3.5Å; M54-F57 CarbonylContact O-C 3.51Å; M54-F57 PolarHBondContact O-N 3.35Å; K55-F57 PolarHBondContact O-N 3.01Å; F57-I59 PolarHBondContact O-N 2.85Å |
| 58 | E | 74.9 | Confident | 72.6 | Confident | 131 Ų | 131 | 102.6 Ų | 102.6 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | trans | -64.6 | 121.6 | 174.8 | -171.1 | 176.8 | 179 | 0 | 0 | 108.7 | M54 K55 V60 | M54-E58 PolarHBondContact O-N 3.45Å; M54-E58 VanDerWaalsContact O-N 3.15Å; K55-E58 VanDerWaalsContact O-CB 3.31Å; K55-E58 WeakPolarHBondContact O-CB 3.43Å; K55-E58 PolarHBondContact O-N 3.44Å; K55-E58 VanDerWaalsContact O-N 3.15Å; E58-V60 PolarHBondContact O-N 3.01Å; E58-V60 VanDerWaalsContact O-N 3.13Å | ||
| 59 | I | 78 | Confident | 73.6 | Confident | 132 Ų | 132 | 98 Ų | 98 | 68% | 0.677 | 53% | 0.534 | S | S | * | . | trans | -70.1 | 114.1 | -176.5 | -60.9 | 172.3 | 0 | 0 | 0 | 108.3 | F57 D61 I67 | F57-I59 PolarHBondContact O-N 2.85Å; I59-D61 PolarHBondContact O-N 3.04Å; I59-I67 WeakPolarHBondContact CA-O 3.33Å; I59-I67 HydrophobicContact CG2-CB 4.31Å; I59-I67 HydrophobicContact CG2-CG2 4.37Å | ||
| 60 | V | 81.6 | Confident | 74.5 | Confident | 44 Ų | 44 | 101.1 Ų | 101.1 | 27% | 0.267 | 55% | 0.545 | S | S | . | . | trans | -87.2 | 109.7 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | E58 Q62 L65 I67 | E58-V60 PolarHBondContact O-N 3.01Å; E58-V60 VanDerWaalsContact O-N 3.13Å; V60-Q62 HydrophobicContact CG1-CB 4.16Å; V60-Q62 HydrophobicContact CG1-CG 3.94Å; V60-Q62 PolarHBondContact O-N 3.13Å; V60-L65 HydrophobicContact CG1-CD1 4.41Å; V60-I67 PolarHBondContact N-O 3.48Å | ||
| 61 | D | 79.4 | Confident | 75.2 | Confident | 160 Ų | 160 | 100.1 Ų | 100.1 | 86% | 0.856 | 54% | 0.543 | S | S | * | . | trans | -96.3 | 80.3 | 172.9 | -167.7 | 15 | 0 | 0 | 0 | 110.5 | I59 | I59-D61 PolarHBondContact O-N 3.04Š| ||
| 62 | Q | 79.7 | Confident | 75.5 | Confident | 116 Ų | 116 | 102.4 Ų | 102.4 | 54% | 0.542 | 54% | 0.543 | S | S | . | . | trans | -131.5 | 135.1 | 174.7 | -69.2 | -170.2 | 20.4 | 0 | 0 | 111.1 | V60 G64 L65 | V60-Q62 HydrophobicContact CG1-CB 4.16Å; V60-Q62 HydrophobicContact CG1-CG 3.94Å; V60-Q62 PolarHBondContact O-N 3.13Å; Q62-G64 PolarHBondContact O-N 2.85Å; Q62-L65 HydrophobicContact CB-CB 4.48Å; Q62-L65 HydrophobicContact CB-CD1 4.08Å; Q62-L65 HydrophobicContact CB-CG 4.44Å; Q62-L65 PolarHBondContact O-N 3.29Å | ||
| 63 | P | 77.8 | Confident | 76 | Confident | 139 Ų | 139 | 101 Ų | 101 | 90% | 0.903 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 125.1 | -179.4 | 24.2 | -31.8 | 0 | 0 | 0 | 111.2 | ||
| 64 | G | 81.3 | Confident | 76 | Confident | 63 Ų | 63 | 105.6 Ų | 105.6 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.5 | -4.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q62 | Q62-G64 PolarHBondContact O-N 2.85Š|
| 65 | L | 83.3 | Confident | 76 | Confident | 56 Ų | 56 | 111 Ų | 111 | 29% | 0.293 | 57% | 0.568 | S | S | . | * | B | Isolated β-bridge | trans | -109.7 | 152.5 | 169.9 | -58.4 | -179.2 | 0 | 0 | 0 | 109.6 | V60 Q62 V71 | V60-L65 HydrophobicContact CG1-CD1 4.41Å; Q62-L65 HydrophobicContact CB-CB 4.48Å; Q62-L65 HydrophobicContact CB-CD1 4.08Å; Q62-L65 HydrophobicContact CB-CG 4.44Å; Q62-L65 PolarHBondContact O-N 3.29Å; L65-V71 HydrophobicContact CD2-CB 4.3Å; L65-V71 HydrophobicContact CD2-CG2 3.51Å |
| 66 | D | 83.7 | Confident | 76.1 | Confident | 52 Ų | 52 | 112.1 Ų | 112.1 | 28% | 0.278 | 57% | 0.573 | S | S | . | * | trans | -79 | 175.8 | 168.1 | 74.4 | 11.8 | 0 | 0 | 0 | 111.4 | F68 G69 Q70 | D66-F68 PolarHBondContact O-N 3.2Å; D66-F68 WeakPolarHBondContact OD1-CA 3.48Å; D66-F68 WeakPolarHBondContact OD1-CB 3.27Å; D66-F68 PolarHBondContact OD1-N 3.24Å; D66-G69 PolarHBondContact O-N 2.88Å; D66-G69 PolarHBondContact OD1-N 3.36Å; D66-Q70 PolarHBondContact N-O 2.87Å; D66-Q70 PolarHBondContact OD1-N 2.84Å | ||
| 67 | I | 84.7 | Confident | 76.6 | Confident | 101 Ų | 101 | 109.9 Ų | 109.9 | 52% | 0.518 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.7 | -15.8 | 179.9 | 59.2 | 170.3 | 0 | 0 | 0 | 114 | I59 V60 | I59-I67 WeakPolarHBondContact CA-O 3.33Å; I59-I67 HydrophobicContact CG2-CB 4.31Å; I59-I67 HydrophobicContact CG2-CG2 4.37Å; V60-I67 PolarHBondContact N-O 3.48Å |
| 68 | F | 82.1 | Confident | 77.6 | Confident | 117 Ų | 117 | 111.2 Ų | 111.2 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103 | 13.8 | 176.2 | -55.8 | -71.4 | 0 | 0 | 0 | 111.9 | D66 Q70 | D66-F68 PolarHBondContact O-N 3.2Å; D66-F68 WeakPolarHBondContact OD1-CA 3.48Å; D66-F68 WeakPolarHBondContact OD1-CB 3.27Å; D66-F68 PolarHBondContact OD1-N 3.24Å; F68-Q70 HydrophobicContact CB-CG 4.43Å; F68-Q70 PolarHBondContact O-N 3.38Å |
| 69 | G | 79.9 | Confident | 78.3 | Confident | 28 Ų | 28 | 112.2 Ų | 112.2 | 29% | 0.289 | 58% | 0.577 | S | S | . | * | S | Bend | trans | 71.2 | 13 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D66 | D66-G69 PolarHBondContact O-N 2.88Å; D66-G69 PolarHBondContact OD1-N 3.36Å |
| 70 | Q | 79.9 | Confident | 78.9 | Confident | 127 Ų | 127 | 107.5 Ų | 107.5 | 59% | 0.593 | 56% | 0.555 | S | S | * | * | trans | -89.4 | 137.1 | -179.5 | -57.1 | -174 | 5.5 | 0 | 0 | 111.7 | D66 F68 F72 | D66-Q70 PolarHBondContact N-O 2.87Å; D66-Q70 PolarHBondContact OD1-N 2.84Å; F68-Q70 HydrophobicContact CB-CG 4.43Å; F68-Q70 PolarHBondContact O-N 3.38Å; Q70-F72 PolarHBondContact O-N 3.17Å | ||
| 71 | V | 81.3 | Confident | 79.4 | Confident | 93 Ų | 93 | 110 Ų | 110 | 56% | 0.564 | 57% | 0.571 | S | S | * | * | B | Isolated β-bridge | trans | -68.2 | 119.8 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | L65 N73 | L65-V71 HydrophobicContact CD2-CB 4.3Å; L65-V71 HydrophobicContact CD2-CG2 3.51Å; V71-N73 PolarHBondContact O-N 3.26Å; V71-N73 PolarHBondContact O-ND2 3.26Å |
| 72 | F | 70.3 | Confident | 80.1 | Confident | 145 Ų | 145 | 102.4 Ų | 102.4 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | trans | -68.3 | 96.6 | 178.7 | -173.9 | -105.6 | 0 | 0 | 0 | 111.5 | Q70 Q74 | Q70-F72 PolarHBondContact O-N 3.17Å; F72-Q74 HydrophobicContact CD1-CB 4.08Å; F72-Q74 HydrophobicContact CE1-CB 3.74Å; F72-Q74 PolarHBondContact O-N 2.9Å | ||
| 73 | N | 72.3 | Confident | 80.6 | Confident | 83 Ų | 83 | 102.6 Ų | 102.6 | 44% | 0.444 | 54% | 0.541 | S | S | . | . | trans | -81.7 | 81.7 | 176.1 | -77.7 | -73.3 | 0 | 0 | 0 | 111.1 | V71 W75 K76 | V71-N73 PolarHBondContact O-N 3.26Å; V71-N73 PolarHBondContact O-ND2 3.26Å; N73-W75 PolarHBondContact O-N 3.21Å; N73-K76 HydrophobicContact CB-CD 4.39Å; N73-K76 PolarHBondContact O-N 3.06Å | ||
| 74 | Q | 66.4 | Low | 81 | Confident | 137 Ų | 137 | 100.5 Ų | 100.5 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -16.8 | 175.7 | 61.3 | -178.2 | -1.9 | 0 | 0 | 114.9 | F72 | F72-Q74 HydrophobicContact CD1-CB 4.08Å; F72-Q74 HydrophobicContact CE1-CB 3.74Å; F72-Q74 PolarHBondContact O-N 2.9Å |
| 75 | W | 64.4 | Low | 81.5 | Confident | 212 Ų | 212 | 99.8 Ų | 99.8 | 80% | 0.803 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -17 | -170.7 | -38.4 | 80.3 | 0 | 0 | 0 | 113.9 | N73 S77 | N73-W75 PolarHBondContact O-N 3.21Å; W75-S77 PolarHBondContact O-N 2.91Å |
| 76 | K | 70.4 | Confident | 81.8 | Confident | 157 Ų | 157 | 102 Ų | 102 | 68% | 0.683 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -92.1 | 103 | 178.5 | -71.6 | 174.6 | -177.2 | 174.6 | 0 | 108.2 | N73 K78 | N73-K76 HydrophobicContact CB-CD 4.39Å; N73-K76 PolarHBondContact O-N 3.06Å; K76-K78 PolarHBondContact O-N 2.97Å |
| 77 | S | 73.8 | Confident | 82.1 | Confident | 77 Ų | 77 | 107.3 Ų | 107.3 | 54% | 0.538 | 54% | 0.543 | S | S | . | . | trans | -60.5 | 114 | 175.9 | 61 | 0 | 0 | 0 | 0 | 109.6 | W75 E79 | W75-S77 PolarHBondContact O-N 2.91Å; S77-E79 PolarHBondContact O-N 3.35Å | ||
| 78 | K | 85 | Confident | 82.5 | Confident | 166 Ų | 166 | 106.1 Ų | 106.1 | 72% | 0.722 | 54% | 0.544 | S | S | * | . | trans | -63.7 | 130.8 | 170.7 | -63 | -175.2 | -179.8 | -176 | 0 | 108.2 | K76 A91 | K76-K78 PolarHBondContact O-N 2.97Å; K78-A91 HydrophobicContact CB-CB 4.21Å; K78-A91 WeakPolarHBondContact O-CB 3.47Å; K78-A91 PolarHBondContact O-N 3.47Å | ||
| 79 | E | 89.6 | Confident | 83 | Confident | 151 Ų | 151 | 101.4 Ų | 101.4 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 142.7 | 175.3 | -64.8 | -174.2 | 176.6 | 0 | 0 | 109.8 | S77 | S77-E79 PolarHBondContact O-N 3.35Å |
| 80 | C | 90.1 | Very high | 83.6 | Confident | 33 Ų | 33 | 101.1 Ų | 101.1 | 22% | 0.223 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.1 | 179.4 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | S88 I89 F94 | C80-S88 WeakPolarHBondContact O-CA 3.48Å; C80-I89 PolarHBondContact N-O 3.36Å; C80-I89 PolarHBondContact O-N 3.36Å; C80-I89 VanDerWaalsContact O-O 3.07Å; C80-I89 PolarHBondContact SG-O 2.74Å; C80-F94 HydrophobicContact CB-CD2 4.39Å; C80-F94 HydrophobicContact CB-CE2 4.49Å; C80-F94 WeakPolarHBondContact SG-CD2 3.48Å; C80-F94 WeakPolarHBondContact SG-CG 3.17Å |
| 81 | V | 92.7 | Very high | 84.1 | Confident | 98 Ų | 98 | 97.5 Ų | 97.5 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.4 | -177.9 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | P83 | V81-P83 WeakPolarHBondContact O-CD 3.48Å |
| 82 | C | 92.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 97.9 Ų | 97.9 | 0% | 0 | 52% | 0.517 | C | S | . | . | trans | -69.3 | 123.1 | 176.3 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | N84 S86 R87 F94 H97 | C82-N84 PolarHBondContact O-N 3.22Å; C82-N84 PolarHBondContact SG-N 3.44Å; C82-S86 WeakPolarHBondContact O-CA 3.22Å; C82-S86 PolarHBondContact O-N 3.26Å; C82-R87 PolarHBondContact N-O 3.47Å; C82-F94 HydrophobicContact CB-CE2 4.01Å; C82-H97 WeakPolarHBondContact CB-NE2 3.34Å; C82-H97 PolarHBondContact SG-NE2 3.22Å | ||
| 83 | P | 90.1 | Very high | 85.5 | Confident | 120 Ų | 120 | 98.8 Ų | 98.8 | 78% | 0.779 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -20.4 | -179.7 | 25.6 | -33.4 | 0 | 0 | 0 | 113.4 | V81 | V81-P83 WeakPolarHBondContact O-CD 3.48Š|
| 84 | N | 87.3 | Confident | 86.4 | Confident | 95 Ų | 95 | 97.3 Ų | 97.3 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -38.5 | -176.8 | -169.2 | 20.6 | 0 | 0 | 0 | 113.5 | C82 C101 L102 | C82-N84 PolarHBondContact O-N 3.22Å; C82-N84 PolarHBondContact SG-N 3.44Å; N84-C101 PolarHBondContact ND2-O 3.46Å; N84-L102 HydrophobicContact CB-CD2 4.47Å |
| 85 | C | 91.7 | Very high | 87.6 | Confident | 48 Ų | 48 | 93.7 Ų | 93.7 | 32% | 0.324 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 7.4 | -179.8 | 74.1 | 0 | 0 | 0 | 0 | 114.5 | R87 H97 C101 | C85-R87 PolarHBondContact O-N 3.09Å; C85-R87 VanDerWaalsContact SG-CB 3.58Å; C85-H97 PolarHBondContact SG-CE1 2.62Å; C85-H97 PolarHBondContact SG-NE2 3.18Å; C85-C101 VanDerWaalsContact SG-SG 3.68Å |
| 86 | S | 88.8 | Confident | 88.7 | Confident | 101 Ų | 101 | 86.7 Ų | 86.7 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | trans | 50.7 | 16.8 | 179.9 | 58.4 | 0 | 0 | 0 | 0 | 116 | C82 | C82-S86 WeakPolarHBondContact O-CA 3.22Å; C82-S86 PolarHBondContact O-N 3.26Å | ||
| 87 | R | 91.4 | Very high | 89.7 | Confident | 165 Ų | 165 | 80.9 Ų | 80.9 | 62% | 0.623 | 46% | 0.457 | S | S | * | . | trans | -79.4 | 133.7 | 178.3 | -168.3 | 177.5 | -68.8 | -106.5 | 2.5 | 110.1 | C82 C85 I89 | C82-R87 PolarHBondContact N-O 3.47Å; C85-R87 PolarHBondContact O-N 3.09Å; C85-R87 VanDerWaalsContact SG-CB 3.58Å; R87-I89 HydrophobicContact CB-CD1 4.28Å; R87-I89 HydrophobicContact CB-CG1 4.47Å; R87-I89 HydrophobicContact CG-CD1 3.78Å; R87-I89 HydrophobicContact CG-CG1 4.4Å | ||
| 88 | S | 92.8 | Very high | 90.5 | Very high | 76 Ų | 76 | 79.4 Ų | 79.4 | 53% | 0.531 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 126.8 | 167.2 | 53.8 | 0 | 0 | 0 | 0 | 109.9 | C80 | C80-S88 WeakPolarHBondContact O-CA 3.48Å |
| 89 | I | 92 | Very high | 90.6 | Very high | 18 Ų | 18 | 77 Ų | 77 | 9% | 0.092 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.1 | -176.5 | -55.2 | -68.8 | 0 | 0 | 0 | 107.3 | C80 R87 A91 R93 F94 H97 | C80-I89 PolarHBondContact N-O 3.36Å; C80-I89 PolarHBondContact O-N 3.36Å; C80-I89 VanDerWaalsContact O-O 3.07Å; C80-I89 PolarHBondContact SG-O 2.74Å; R87-I89 HydrophobicContact CB-CD1 4.28Å; R87-I89 HydrophobicContact CB-CG1 4.47Å; R87-I89 HydrophobicContact CG-CD1 3.78Å; R87-I89 HydrophobicContact CG-CG1 4.4Å; I89-A91 PolarHBondContact O-N 3.42Å; I89-R93 HydrophobicContact CG2-CB 3.99Å; I89-F94 HydrophobicContact CB-CD2 4.28Å; I89-H97 HydrophobicContact CG1-CB 4.4Å; I89-H97 HydrophobicContact CG2-CB 4.22Å |
| 90 | A | 93 | Very high | 90.5 | Very high | 22 Ų | 22 | 77.4 Ų | 77.4 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 136.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | S92 R93 F94 | A90-S92 PolarHBondContact O-N 3.47Å; A90-S92 VanDerWaalsContact O-N 3.11Å; A90-R93 CarbonylContact O-C 3.58Å; A90-R93 WeakPolarHBondContact O-CA 3.48Å; A90-R93 PolarHBondContact O-N 3.28Å; A90-F94 PolarHBondContact O-N 3.06Å |
| 91 | A | 90.9 | Very high | 90.3 | Very high | 51 Ų | 51 | 77.4 Ų | 77.4 | 42% | 0.421 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -52 | -38.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K78 I89 R93 F94 | K78-A91 HydrophobicContact CB-CB 4.21Å; K78-A91 WeakPolarHBondContact O-CB 3.47Å; K78-A91 PolarHBondContact O-N 3.47Å; I89-A91 PolarHBondContact O-N 3.42Å; A91-R93 PolarHBondContact O-N 2.81Å; A91-R93 VanDerWaalsContact O-N 3.16Å; A91-F94 WeakPolarHBondContact O-CB 3.43Å; A91-F94 PolarHBondContact O-N 2.78Å |
| 92 | S | 89.4 | Confident | 89.9 | Confident | 100 Ų | 100 | 77.3 Ų | 77.3 | 70% | 0.699 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -60.8 | -22.8 | 175.3 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | A90 | A90-S92 PolarHBondContact O-N 3.47Å; A90-S92 VanDerWaalsContact O-N 3.11Å |
| 93 | R | 90.3 | Very high | 89.1 | Confident | 165 Ų | 165 | 80 Ų | 80 | 62% | 0.623 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -111.3 | 7.2 | -178.3 | -62.3 | 178.3 | 65.7 | -131.9 | 1.4 | 112.7 | I89 A90 A91 P96 H97 | I89-R93 HydrophobicContact CG2-CB 3.99Å; A90-R93 CarbonylContact O-C 3.58Å; A90-R93 WeakPolarHBondContact O-CA 3.48Å; A90-R93 PolarHBondContact O-N 3.28Å; A91-R93 PolarHBondContact O-N 2.81Å; A91-R93 VanDerWaalsContact O-N 3.16Å; R93-P96 WeakPolarHBondContact O-CD 3.46Å; R93-H97 WeakPolarHBondContact O-CB 3.43Å; R93-H97 PolarHBondContact O-N 3.42Å |
| 94 | F | 91.8 | Very high | 88 | Confident | 51 Ų | 51 | 82.3 Ų | 82.3 | 22% | 0.224 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.3 | -44.2 | -176.9 | -164.2 | -119.9 | 0 | 0 | 0 | 112.2 | C80 C82 I89 A90 A91 H97 L98 | C80-F94 HydrophobicContact CB-CD2 4.39Å; C80-F94 HydrophobicContact CB-CE2 4.49Å; C80-F94 WeakPolarHBondContact SG-CD2 3.48Å; C80-F94 WeakPolarHBondContact SG-CG 3.17Å; C82-F94 HydrophobicContact CB-CE2 4.01Å; I89-F94 HydrophobicContact CB-CD2 4.28Å; A90-F94 PolarHBondContact O-N 3.06Å; A91-F94 WeakPolarHBondContact O-CB 3.43Å; A91-F94 PolarHBondContact O-N 2.78Å; F94-H97 WeakPolarHBondContact O-CA 3.45Å; F94-H97 WeakPolarHBondContact O-CB 3.08Å; F94-H97 PolarHBondContact O-N 2.96Å; F94-H97 VanDerWaalsContact O-N 3.12Å; F94-L98 HydrophobicContact CD1-CD1 3.71Å; F94-L98 HydrophobicContact CD1-CG 4.11Å; F94-L98 HydrophobicContact CE1-CD1 3.54Å; F94-L98 HydrophobicContact CE1-CD2 4.17Å; F94-L98 HydrophobicContact CE1-CG 3.98Å; F94-L98 HydrophobicContact CE2-CD2 4.46Å; F94-L98 HydrophobicContact CZ-CD1 4.24Å; F94-L98 HydrophobicContact CZ-CD2 4.02Å; F94-L98 HydrophobicContact CZ-CG 4.24Å; F94-L98 WeakPolarHBondContact O-CG 3.38Å; F94-L98 PolarHBondContact O-N 3.07Å |
| 95 | A | 90.8 | Very high | 86.8 | Confident | 62 Ų | 62 | 78.9 Ų | 78.9 | 51% | 0.512 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.7 | -50.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H97 L98 E99 | A95-H97 PolarHBondContact O-N 3.2Å; A95-H97 VanDerWaalsContact O-N 3.13Å; A95-L98 PolarHBondContact O-N 2.8Å; A95-L98 VanDerWaalsContact O-N 3.13Å; A95-E99 PolarHBondContact O-N 3.34Å; A95-E99 VanDerWaalsContact O-N 3.11Å |
| 96 | P | 88.7 | Confident | 85.5 | Confident | 65 Ų | 65 | 86.6 Ų | 86.6 | 42% | 0.422 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.2 | -24.7 | 173.8 | -24.3 | 32.1 | 0 | 0 | 0 | 114.5 | R93 | R93-P96 WeakPolarHBondContact O-CD 3.46Å |
| 97 | H | 91.1 | Very high | 84.1 | Confident | 34 Ų | 34 | 86 Ų | 86 | 16% | 0.157 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -76.2 | -47 | 174.2 | 170.4 | 69.9 | 0 | 0 | 0 | 111.4 | C82 C85 I89 R93 F94 A95 E99 K100 C101 | C82-H97 WeakPolarHBondContact CB-NE2 3.34Å; C82-H97 PolarHBondContact SG-NE2 3.22Å; C85-H97 PolarHBondContact SG-CE1 2.62Å; C85-H97 PolarHBondContact SG-NE2 3.18Å; I89-H97 HydrophobicContact CG1-CB 4.4Å; I89-H97 HydrophobicContact CG2-CB 4.22Å; R93-H97 WeakPolarHBondContact O-CB 3.43Å; R93-H97 PolarHBondContact O-N 3.42Å; F94-H97 WeakPolarHBondContact O-CA 3.45Å; F94-H97 WeakPolarHBondContact O-CB 3.08Å; F94-H97 PolarHBondContact O-N 2.96Å; F94-H97 VanDerWaalsContact O-N 3.12Å; A95-H97 PolarHBondContact O-N 3.2Å; A95-H97 VanDerWaalsContact O-N 3.13Å; H97-E99 VanDerWaalsContact C-N 3.32Å; H97-E99 PolarHBondContact O-N 3.37Å; H97-K100 PolarHBondContact O-N 2.83Å; H97-K100 VanDerWaalsContact O-N 3.12Å; H97-C101 VanDerWaalsContact O-CB 3.24Å; H97-C101 WeakPolarHBondContact O-CB 3.3Å; H97-C101 PolarHBondContact O-N 3.09Å |
| 98 | L | 89.6 | Confident | 82.8 | Confident | 46 Ų | 46 | 82.5 Ų | 82.5 | 24% | 0.241 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 178.4 | -72.6 | -179.5 | 0 | 0 | 0 | 112.1 | F94 A95 K100 C101 L102 | F94-L98 HydrophobicContact CD1-CD1 3.71Å; F94-L98 HydrophobicContact CD1-CG 4.11Å; F94-L98 HydrophobicContact CE1-CD1 3.54Å; F94-L98 HydrophobicContact CE1-CD2 4.17Å; F94-L98 HydrophobicContact CE1-CG 3.98Å; F94-L98 HydrophobicContact CE2-CD2 4.46Å; F94-L98 HydrophobicContact CZ-CD1 4.24Å; F94-L98 HydrophobicContact CZ-CD2 4.02Å; F94-L98 HydrophobicContact CZ-CG 4.24Å; F94-L98 WeakPolarHBondContact O-CG 3.38Å; F94-L98 PolarHBondContact O-N 3.07Å; A95-L98 PolarHBondContact O-N 2.8Å; A95-L98 VanDerWaalsContact O-N 3.13Å; L98-K100 PolarHBondContact O-N 2.96Å; L98-C101 PolarHBondContact O-N 3.43Å; L98-L102 HydrophobicContact CB-CD1 4.22Å; L98-L102 HydrophobicContact CD2-CD1 4.22Å; L98-L102 VanDerWaalsContact O-CB 3.28Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 PolarHBondContact O-N 3.47Å |
| 99 | E | 88.4 | Confident | 81.5 | Confident | 117 Ų | 117 | 82.2 Ų | 82.2 | 55% | 0.547 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55 | -37.8 | 175.6 | -71.4 | 175.7 | -172 | 0 | 0 | 113.1 | A95 H97 G105 | A95-E99 PolarHBondContact O-N 3.34Å; A95-E99 VanDerWaalsContact O-N 3.11Å; H97-E99 VanDerWaalsContact C-N 3.32Å; H97-E99 PolarHBondContact O-N 3.37Å; E99-G105 PolarHBondContact O-N 3.11Å |
| 100 | K | 86.4 | Confident | 80.3 | Confident | 159 Ų | 159 | 89.9 Ų | 89.9 | 69% | 0.691 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -85.2 | -37.2 | 178.9 | -65.5 | 173.9 | -173.1 | 172.3 | 0 | 112.1 | H97 L98 | H97-K100 PolarHBondContact O-N 2.83Å; H97-K100 VanDerWaalsContact O-N 3.12Å; L98-K100 PolarHBondContact O-N 2.96Å |
| 101 | C | 87.3 | Confident | 79 | Confident | 33 Ų | 33 | 92.1 Ų | 92.1 | 22% | 0.223 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -75.6 | -36.3 | -175.1 | -164.8 | 0 | 0 | 0 | 0 | 112.1 | N84 C85 H97 L98 G103 | N84-C101 PolarHBondContact ND2-O 3.46Å; C85-C101 VanDerWaalsContact SG-SG 3.68Å; H97-C101 VanDerWaalsContact O-CB 3.24Å; H97-C101 WeakPolarHBondContact O-CB 3.3Å; H97-C101 PolarHBondContact O-N 3.09Å; L98-C101 PolarHBondContact O-N 3.43Å; C101-G103 VanDerWaalsContact C-N 3.34Å |
| 102 | L | 84.3 | Confident | 77.6 | Confident | 96 Ų | 96 | 91.7 Ų | 91.7 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -87.8 | -3.2 | 176.9 | -65.1 | 169.6 | 0 | 0 | 0 | 112.6 | N84 L98 M104 | N84-L102 HydrophobicContact CB-CD2 4.47Å; L98-L102 HydrophobicContact CB-CD1 4.22Å; L98-L102 HydrophobicContact CD2-CD1 4.22Å; L98-L102 VanDerWaalsContact O-CB 3.28Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 PolarHBondContact O-N 3.47Å; L102-M104 PolarHBondContact O-N 3.27Å; L102-M104 VanDerWaalsContact O-N 3.11Å |
| 103 | G | 75.6 | Confident | 76.4 | Confident | 55 Ų | 55 | 92.3 Ų | 92.3 | 57% | 0.567 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 70.7 | 3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C101 G105 | C101-G103 VanDerWaalsContact C-N 3.34Å; G103-G105 PolarHBondContact O-N 3.46Å |
| 104 | M | 65.6 | Low | 75.5 | Confident | 170 Ų | 170 | 94 Ų | 94 | 84% | 0.837 | 49% | 0.49 | S | S | * | . | trans | -71.1 | -12.6 | 175.9 | -83 | 160.2 | 58.2 | 0 | 0 | 113.8 | L102 | L102-M104 PolarHBondContact O-N 3.27Å; L102-M104 VanDerWaalsContact O-N 3.11Å | ||
| 105 | G | 62.9 | Low | 74.4 | Confident | 22 Ų | 22 | 100.5 Ų | 100.5 | 23% | 0.227 | 51% | 0.513 | C | S | . | . | S | Bend | trans | -105.1 | 121.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E99 G103 N107 | E99-G105 PolarHBondContact O-N 3.11Å; G103-G105 PolarHBondContact O-N 3.46Å; G105-N107 WeakPolarHBondContact O-CB 3.38Å; G105-N107 PolarHBondContact O-N 3.11Å |
| 106 | R | 64.6 | Low | 73.1 | Confident | 210 Ų | 210 | 102.4 Ų | 102.4 | 79% | 0.792 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 28.4 | 33.1 | 150.2 | -63.4 | -177.8 | 174.4 | 123.1 | -5.4 | 119.1 | ||
| 107 | N | 59.7 | Low | 71.6 | Confident | 89 Ų | 89 | 102.8 Ų | 102.8 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | trans | -102 | -35.2 | -178.8 | -153 | 17.8 | 0 | 0 | 0 | 111.3 | G105 S109 R110 I111 | G105-N107 WeakPolarHBondContact O-CB 3.38Å; G105-N107 PolarHBondContact O-N 3.11Å; N107-S109 PolarHBondContact O-N 3.18Å; N107-R110 PolarHBondContact O-N 3.19Å; N107-I111 WeakPolarHBondContact O-CB 3.37Å; N107-I111 VanDerWaalsContact O-CD1 3.23Å; N107-I111 WeakPolarHBondContact O-CD1 3.34Å; N107-I111 PolarHBondContact O-N 3.16Å; N107-I111 VanDerWaalsContact OD1-CD1 3.24Å; N107-I111 WeakPolarHBondContact OD1-CD1 3.3Å | ||
| 108 | S | 64.5 | Low | 70.2 | Confident | 92 Ų | 92 | 107.2 Ų | 107.2 | 64% | 0.643 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.6 | -45.6 | 173.6 | 51.9 | 0 | 0 | 0 | 0 | 112 | R110 I111 A112 | S108-R110 PolarHBondContact O-N 3.09Å; S108-I111 PolarHBondContact O-N 2.97Å; S108-A112 VanDerWaalsContact O-CB 3.29Å; S108-A112 WeakPolarHBondContact O-CB 3.31Å; S108-A112 PolarHBondContact O-N 3.22Å |
| 109 | S | 64.2 | Low | 68.8 | Low | 70 Ų | 70 | 108 Ų | 108 | 49% | 0.49 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.1 | -38.5 | 178.5 | -40.5 | 0 | 0 | 0 | 0 | 112.9 | N107 N113 | N107-S109 PolarHBondContact O-N 3.18Å; S109-N113 WeakPolarHBondContact O-CB 3.49Å; S109-N113 PolarHBondContact O-N 3.32Å |
| 110 | R | 66.6 | Low | 67.4 | Low | 178 Ų | 178 | 108.8 Ų | 108.8 | 67% | 0.672 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -73.3 | -35.5 | 177.7 | -65.4 | -175.8 | -167.3 | -155.3 | 1.4 | 112 | N107 S108 R114 | N107-R110 PolarHBondContact O-N 3.19Å; S108-R110 PolarHBondContact O-N 3.09Å; R110-R114 WeakPolarHBondContact O-CB 3.42Å; R110-R114 PolarHBondContact O-N 2.8Å; R110-R114 VanDerWaalsContact O-N 3.14Å |
| 111 | I | 66.1 | Low | 66 | Low | 70 Ų | 70 | 107.4 Ų | 107.4 | 36% | 0.359 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.3 | -40.8 | 173.4 | -91.4 | 76.3 | 0 | 0 | 0 | 110.8 | N107 S108 R114 R115 | N107-I111 WeakPolarHBondContact O-CB 3.37Å; N107-I111 VanDerWaalsContact O-CD1 3.23Å; N107-I111 WeakPolarHBondContact O-CD1 3.34Å; N107-I111 PolarHBondContact O-N 3.16Å; N107-I111 VanDerWaalsContact OD1-CD1 3.24Å; N107-I111 WeakPolarHBondContact OD1-CD1 3.3Å; S108-I111 PolarHBondContact O-N 2.97Å; I111-R114 PolarHBondContact O-N 2.88Å; I111-R115 WeakPolarHBondContact O-CG 3.37Å; I111-R115 PolarHBondContact O-N 2.81Å |
| 112 | A | 61.5 | Low | 64.5 | Low | 42 Ų | 42 | 113.5 Ų | 113.5 | 35% | 0.347 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.1 | -48.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S108 R114 R115 I116 | S108-A112 VanDerWaalsContact O-CB 3.29Å; S108-A112 WeakPolarHBondContact O-CB 3.31Å; S108-A112 PolarHBondContact O-N 3.22Å; A112-R114 VanDerWaalsContact C-N 3.29Å; A112-R114 PolarHBondContact O-N 3.32Å; A112-R115 PolarHBondContact O-N 3.44Å; A112-I116 WeakPolarHBondContact O-CG1 3.42Å; A112-I116 PolarHBondContact O-N 2.91Å |
| 113 | N | 64.7 | Low | 63.1 | Low | 112 Ų | 112 | 115.4 Ų | 115.4 | 60% | 0.599 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.1 | -35.6 | 176.7 | -73 | 3.6 | 0 | 0 | 0 | 112.5 | S109 A117 | S109-N113 WeakPolarHBondContact O-CB 3.49Å; S109-N113 PolarHBondContact O-N 3.32Å; N113-A117 WeakPolarHBondContact O-CB 3.5Å; N113-A117 PolarHBondContact O-N 3.48Å; N113-A117 VanDerWaalsContact O-N 3.09Å |
| 114 | R | 70.9 | Confident | 61.9 | Low | 201 Ų | 201 | 122.8 Ų | 122.8 | 76% | 0.758 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.8 | -36.1 | 173.8 | -171.4 | -179.9 | -67.3 | -147.3 | -2.1 | 112.1 | R110 I111 A112 N118 | R110-R114 WeakPolarHBondContact O-CB 3.42Å; R110-R114 PolarHBondContact O-N 2.8Å; R110-R114 VanDerWaalsContact O-N 3.14Å; I111-R114 PolarHBondContact O-N 2.88Å; A112-R114 VanDerWaalsContact C-N 3.29Å; A112-R114 PolarHBondContact O-N 3.32Å; R114-N118 VanDerWaalsContact O-CB 3.3Å; R114-N118 WeakPolarHBondContact O-CB 3.37Å; R114-N118 PolarHBondContact O-N 2.86Å |
| 115 | R | 68.9 | Low | 61.2 | Low | 187 Ų | 187 | 119.5 Ų | 119.5 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.8 | -42.4 | 176.5 | -72.3 | 177.5 | -172.1 | -174.6 | 3 | 111.8 | I111 A112 N118 S119 | I111-R115 WeakPolarHBondContact O-CG 3.37Å; I111-R115 PolarHBondContact O-N 2.81Å; A112-R115 PolarHBondContact O-N 3.44Å; R115-N118 PolarHBondContact O-N 3.23Å; R115-S119 PolarHBondContact O-N 2.82Å; R115-S119 PolarHBondContact O-OG 3.26Å |
| 116 | I | 62.7 | Low | 60.6 | Low | 102 Ų | 102 | 127.7 Ų | 127.7 | 52% | 0.523 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -65.5 | -42.1 | 179.3 | -62.8 | 163.4 | 0 | 0 | 0 | 111.5 | A112 N118 S119 | A112-I116 WeakPolarHBondContact O-CG1 3.42Å; A112-I116 PolarHBondContact O-N 2.91Å; I116-N118 VanDerWaalsContact C-N 3.33Å; I116-N118 PolarHBondContact O-N 3.02Å; I116-S119 PolarHBondContact O-OG 3.39Å |
| 117 | A | 58.2 | Low | 59.4 | Low | 73 Ų | 73 | 123.2 Ų | 123.2 | 60% | 0.603 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.9 | -29.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | N113 | N113-A117 WeakPolarHBondContact O-CB 3.5Å; N113-A117 PolarHBondContact O-N 3.48Å; N113-A117 VanDerWaalsContact O-N 3.09Å |
| 118 | N | 61.6 | Low | 59.1 | Low | 127 Ų | 127 | 126.6 Ų | 126.6 | 68% | 0.679 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -86.2 | -21.9 | -178.3 | -149.6 | 63.3 | 0 | 0 | 0 | 113.1 | R114 R115 I116 | R114-N118 VanDerWaalsContact O-CB 3.3Å; R114-N118 WeakPolarHBondContact O-CB 3.37Å; R114-N118 PolarHBondContact O-N 2.86Å; R115-N118 PolarHBondContact O-N 3.23Å; I116-N118 VanDerWaalsContact C-N 3.33Å; I116-N118 PolarHBondContact O-N 3.02Å |
| 119 | S | 59.9 | Low | 58.2 | Low | 64 Ų | 64 | 129.9 Ų | 129.9 | 45% | 0.448 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -77.9 | -25.4 | 173.8 | 57 | 0 | 0 | 0 | 0 | 113.5 | R115 I116 N121 | R115-S119 PolarHBondContact O-N 2.82Å; R115-S119 PolarHBondContact O-OG 3.26Å; I116-S119 PolarHBondContact O-OG 3.39Å; S119-N121 PolarHBondContact O-N 3.03Å |
| 120 | N | 59.5 | Low | 57.2 | Low | 132 Ų | 132 | 134.4 Ų | 134.4 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -7.6 | 179 | -89.2 | 11.8 | 0 | 0 | 0 | 114.6 | ||
| 121 | N | 57 | Low | 56.5 | Low | 131 Ų | 131 | 132.3 Ų | 132.3 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 1.6 | -177 | -160.6 | 25.9 | 0 | 0 | 0 | 114.4 | S119 | S119-N121 PolarHBondContact O-N 3.03Š|
| 122 | M | 56 | Low | 55.7 | Low | 161 Ų | 161 | 137 Ų | 137 | 79% | 0.793 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -106.9 | -3.1 | 177.9 | -79.1 | -70 | 134.4 | 0 | 0 | 113.9 | ||
| 123 | N | 55.4 | Low | 55.3 | Low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | trans | -126.9 | 43.9 | -165.4 | -58.4 | 40.4 | 0 | 0 | 0 | 112.7 | ||||
| 124 | K | 48.9 | Very low | 54.7 | Low | 210 Ų | 210 | 142.6 Ų | 142.6 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | trans | -121.6 | 69.8 | 171.3 | -148.4 | 169.4 | -172.6 | 171.7 | 0 | 111 | ||||
| 125 | S | 50.9 | Low | 53.9 | Low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -124.6 | 118 | 157.9 | 47.8 | 0 | 0 | 0 | 0 | 107.3 | ||
| 126 | E | 49.8 | Very low | 53.3 | Low | 194 Ų | 194 | 138.5 Ų | 138.5 | 91% | 0.907 | 74% | 0.74 | S | S | * | * | trans | 48.2 | 104.4 | 159.2 | -66.9 | -176.2 | 137.3 | 0 | 0 | 118.7 | ||||
| 127 | S | 41.2 | Very low | 52.9 | Low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | -163.2 | 114.5 | 125.2 | 64 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 128 | D | 51.9 | Low | 52.6 | Low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -48.2 | 141.6 | 153.4 | -67.9 | -46.5 | 0 | 0 | 0 | 109.4 | ||||
| 129 | Q | 46.7 | Very low | 52 | Low | 162 Ų | 162 | 145.6 Ų | 145.6 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | 168.5 | 106.5 | 129.4 | -162.6 | 148.6 | 13.5 | 0 | 0 | 111.5 | |||||
| 130 | E | 42 | Very low | 52 | Low | 165 Ų | 165 | 153 Ų | 153 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | 64.2 | 123.5 | 142 | -64.8 | 170.1 | -136 | 0 | 0 | 121.9 | ||||
| 131 | D | 52.1 | Low | 51.4 | Low | 134 Ų | 134 | 152.5 Ų | 152.5 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | trans | -40.1 | 134.3 | 157.3 | -65.5 | -42 | 0 | 0 | 0 | 113.6 | ||||
| 132 | N | 49.6 | Very low | 50.2 | Low | 168 Ų | 168 | 157.2 Ų | 157.2 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -150 | 95.2 | 140.6 | -112.4 | -89.5 | 0 | 0 | 0 | 107.5 | ||||
| 133 | D | 53.6 | Low | 49.2 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 66% | 0.658 | 79% | 0.793 | S | S | * | * | trans | -68.5 | 144.5 | 175 | -64.1 | -42.1 | 0 | 0 | 0 | 111.8 | ||||
| 134 | D | 51.2 | Low | 48.3 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 52.6 | 89.4 | 137.2 | -60.3 | -18.9 | 0 | 0 | 0 | 118.9 | ||||
| 135 | I | 55.1 | Low | 47.8 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -129.3 | 117.5 | 140 | -97.8 | 129 | 0 | 0 | 0 | 108.7 | ||
| 136 | N | 57 | Low | 47.5 | Very low | 131 Ų | 131 | 155.3 Ų | 155.3 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | 84.3 | 73.8 | 155.5 | -167.4 | 74.4 | 0 | 0 | 0 | 117.4 | ||||
| 137 | D | 53.3 | Low | 47.1 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -130 | 88.7 | 142.8 | -75.7 | -33.1 | 0 | 0 | 0 | 108.9 | D139 | D137-D139 PolarHBondContact O-N 3.46Å; D137-D139 VanDerWaalsContact O-N 3.11Å | ||
| 138 | N | 51.2 | Low | 47.1 | Very low | 128 Ų | 128 | 154.6 Ų | 154.6 | 68% | 0.684 | 80% | 0.801 | S | S | * | * | trans | -69.4 | 92.4 | 177.3 | 176.6 | 89.9 | 0 | 0 | 0 | 110.3 | ||||
| 139 | D | 50.1 | Low | 46.7 | Very low | 154 Ų | 154 | 157 Ų | 157 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -97.4 | 113.1 | 171.5 | -146.4 | 2.1 | 0 | 0 | 0 | 111.1 | D137 S141 | D137-D139 PolarHBondContact O-N 3.46Å; D137-D139 VanDerWaalsContact O-N 3.11Å; D139-S141 PolarHBondContact O-N 3.37Å | ||
| 140 | W | 60.1 | Low | 46.6 | Very low | 221 Ų | 221 | 157.4 Ų | 157.4 | 84% | 0.837 | 80% | 0.803 | S | S | * | * | trans | -64.8 | 118.1 | 175.3 | -88.2 | -10.4 | 0 | 0 | 0 | 110.8 | ||||
| 141 | S | 46.4 | Very low | 46.6 | Very low | 120 Ų | 120 | 159.6 Ų | 159.6 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -131.4 | 84.8 | 153.3 | -71.4 | 0 | 0 | 0 | 0 | 109.3 | D139 G143 | D139-S141 PolarHBondContact O-N 3.37Å; S141-G143 PolarHBondContact O-N 2.93Å | ||
| 142 | Y | 31.2 | Very low | 45.8 | Very low | 231 Ų | 231 | 161.6 Ų | 161.6 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -65 | 121.1 | 166.9 | 178.5 | -99 | 0 | 0 | 0 | 110.1 | ||||
| 143 | G | 34.4 | Very low | 45.1 | Very low | 55 Ų | 55 | 158.2 Ų | 158.2 | 57% | 0.567 | 80% | 0.796 | S | S | * | * | trans | 75.3 | 95.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | S141 | S141-G143 PolarHBondContact O-N 2.93Š| ||
| 144 | S | 37.6 | Very low | 44.2 | Very low | 122 Ų | 122 | 158.7 Ų | 158.7 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | -174.1 | 86.8 | 119.4 | 33 | 0 | 0 | 0 | 0 | 110.8 | K146 | S144-K146 PolarHBondContact O-N 3.03Š| |||
| 145 | E | 37.6 | Very low | 43.5 | Very low | 184 Ų | 184 | 160.3 Ų | 160.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -61.9 | 118.3 | 162.1 | -48 | 167.1 | -140.2 | 0 | 0 | 109.5 | ||||
| 146 | K | 44.6 | Very low | 42.6 | Very low | 207 Ų | 207 | 160.4 Ų | 160.4 | 90% | 0.9 | 80% | 0.8 | S | S | * | * | trans | -144.3 | 113.4 | 143.6 | -62 | -168.3 | -174.4 | 175.2 | 0 | 110.1 | S144 | S144-K146 PolarHBondContact O-N 3.03Š| ||
| 147 | K | 42.5 | Very low | 41.7 | Very low | 206 Ų | 206 | 163.3 Ų | 163.3 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | -61 | 148.8 | 178.4 | -70.5 | 171.6 | 169.7 | 165.2 | 0 | 113.2 | ||||
| 148 | A | 41.9 | Very low | 40.7 | Very low | 88 Ų | 88 | 164.8 Ų | 164.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | 128.5 | 109.7 | 117.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 149 | K | 43.3 | Very low | 40.2 | Very low | 210 Ų | 210 | 166 Ų | 166 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | 176.9 | 144.7 | 87.7 | -89.9 | -178.8 | -177.6 | 171.7 | 0 | 110.3 | |||||
| 150 | K | 43.9 | Very low | 40.1 | Very low | 171 Ų | 171 | 164.3 Ų | 164.3 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -89.8 | 154.7 | -168.7 | -164.8 | -171.5 | 174.2 | 160.3 | 0 | 110.7 | ||||
| 151 | R | 42.1 | Very low | 39 | Very low | 210 Ų | 210 | 161.9 Ų | 161.9 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | 96.7 | 106.8 | 152.9 | -52.6 | -165.7 | -174 | -135.1 | 2.6 | 117.1 | ||||
| 152 | K | 34.9 | Very low | 38.7 | Very low | 177 Ų | 177 | 164.1 Ų | 164.1 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | -163.7 | 106.3 | 98.2 | -171.3 | 78.8 | 179.5 | 176.9 | 0 | 108.9 | D154 | K152-D154 WeakPolarHBondContact CE-OD2 3.44Å; K152-D154 IonicContact NZ-OD2 3.22Å | |||
| 153 | S | 34.9 | Very low | 39.2 | Very low | 97 Ų | 97 | 159.7 Ų | 159.7 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -78.2 | 132.3 | 154 | 61.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 154 | D | 34.7 | Very low | 39.5 | Very low | 132 Ų | 132 | 161.8 Ų | 161.8 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -149.3 | 138 | 133.1 | -85.4 | -40.8 | 0 | 0 | 0 | 108.3 | K152 | K152-D154 WeakPolarHBondContact CE-OD2 3.44Å; K152-D154 IonicContact NZ-OD2 3.22Å | ||
| 155 | K | 36.1 | Very low | 38.9 | Very low | 183 Ų | 183 | 163.1 Ų | 163.1 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -77.5 | 130.2 | -156 | -65.1 | 164.5 | 179.6 | 170.8 | 0 | 111.2 | ||||
| 156 | L | 36.6 | Very low | 38.7 | Very low | 174 Ų | 174 | 159.3 Ų | 159.3 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -61.4 | 124.1 | 151.2 | -86.4 | 158.9 | 0 | 0 | 0 | 108.7 | ||||
| 157 | W | 37.4 | Very low | 39.2 | Very low | 192 Ų | 192 | 154.5 Ų | 154.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -114.7 | 129 | 160.2 | -103.9 | 112 | 0 | 0 | 0 | 107.7 | ||||
| 158 | Y | 32.6 | Very low | 38.8 | Very low | 198 Ų | 198 | 155.7 Ų | 155.7 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 86.8 | 98.4 | 169.8 | -63.7 | -80.7 | 0 | 0 | 0 | 119.2 | ||||
| 159 | L | 40.5 | Very low | 38.5 | Very low | 155 Ų | 155 | 162.1 Ų | 162.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -57.2 | 174.6 | 153.3 | -76.2 | 178.3 | 0 | 0 | 0 | 112.2 | ||||
| 160 | P | 49 | Very low | 38 | Very low | 117 Ų | 117 | 158 Ų | 158 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | cis | -143.6 | 161.5 | 23.6 | 36.7 | -14.2 | 0 | 0 | 0 | 119.5 | ||||
| 161 | F | 37.2 | Very low | 37.7 | Very low | 171 Ų | 171 | 159.5 Ų | 159.5 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | trans | -39.4 | 136.6 | 150.7 | -108 | -108.4 | 0 | 0 | 0 | 112.8 | ||||
| 162 | Q | 40.2 | Very low | 37.2 | Very low | 167 Ų | 167 | 154.5 Ų | 154.5 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | -171.8 | 125.5 | 108.1 | -129.7 | 84.7 | 59.3 | 0 | 0 | 111 | |||||
| 163 | N | 41.3 | Very low | 37.2 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | -73.2 | 140.2 | 151.9 | 177.7 | 9.8 | 0 | 0 | 0 | 108.5 | ||||
| 164 | P | 40.1 | Very low | 37.3 | Very low | 98 Ų | 98 | 157.8 Ų | 157.8 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | -141 | 156.6 | 129.3 | 35.1 | -19.8 | 0 | 0 | 0 | 114.7 | |||||
| 165 | N | 25.6 | Very low | 37.3 | Very low | 151 Ų | 151 | 159 Ų | 159 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | 95 | 108.6 | 152.3 | -72.4 | 5.3 | 0 | 0 | 0 | 121.2 | ||||
| 166 | S | 33.3 | Very low | 37.1 | Very low | 103 Ų | 103 | 159.4 Ų | 159.4 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -66.9 | 172.9 | 131.5 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 167 | P | 54.3 | Low | 36.6 | Very low | 106 Ų | 106 | 159.3 Ų | 159.3 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | cis | -128.5 | 146.7 | -39.3 | 30.2 | -13 | 0 | 0 | 0 | 112.1 | ||||
| 168 | R | 34 | Very low | 36.2 | Very low | 231 Ų | 231 | 153.9 Ų | 153.9 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | 166 | 130.8 | 141.6 | -101.4 | 170.7 | 177.6 | -138.8 | -0.8 | 113.4 | ||||
| 169 | R | 35.5 | Very low | 35.9 | Very low | 224 Ų | 224 | 153.6 Ų | 153.6 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | 63 | 104.7 | 129.8 | -157.5 | -175.4 | -158.7 | -154.6 | 5.5 | 117 | |||||
| 170 | S | 34.6 | Very low | 35.6 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | -177.1 | 152.7 | 113.6 | 40.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 171 | K | 36 | Very low | 34.8 | Very low | 203 Ų | 203 | 154.5 Ų | 154.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -73.9 | 164.9 | -174.5 | -71.2 | 174.9 | 168.8 | 176.9 | 0 | 112.5 | ||||
| 172 | S | 33 | Very low | 34.3 | Very low | 105 Ų | 105 | 154 Ų | 154 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | 97.2 | 112.9 | 138.3 | -162.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 173 | L | 35.3 | Very low | 33.9 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | -176 | 166 | 96.8 | -141.5 | 70.3 | 0 | 0 | 0 | 109.4 | |||||
| 174 | K | 36.2 | Very low | 33.4 | Very low | 171 Ų | 171 | 151 Ų | 151 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -111.3 | 166.1 | -159.3 | -147 | 167.8 | -175.5 | -178.4 | 0 | 110.6 | ||||
| 175 | H | 33.9 | Very low | 33.5 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | 91 | 140.3 | 168.6 | -52.4 | -70.3 | 0 | 0 | 0 | 115.7 | ||||
| 176 | K | 32.2 | Very low | 33.7 | Very low | 191 Ų | 191 | 153.4 Ų | 153.4 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | cis | -163.5 | 157.9 | 7.9 | -122.9 | 168.9 | -179.2 | -176.9 | 0 | 108.8 | ||||
| 177 | N | 27.1 | Very low | 33.7 | Very low | 172 Ų | 172 | 158.9 Ų | 158.9 | 92% | 0.92 | 82% | 0.819 | S | S | * | * | trans | -19.3 | 143.7 | 175.6 | -76 | 14.3 | 0 | 0 | 0 | 120.8 | ||||
| 178 | G | 27.4 | Very low | 32.6 | Very low | 77 Ų | 77 | 164.2 Ų | 164.2 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -177.1 | 106.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 179 | E | 28.2 | Very low | 32.5 | Very low | 192 Ų | 192 | 158.7 Ų | 158.7 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -68.3 | 147 | 178.6 | -59 | -150.5 | 144.8 | 0 | 0 | 112.2 | ||||
| 180 | L | 34.1 | Very low | 32.4 | Very low | 174 Ų | 174 | 155.4 Ų | 155.4 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -177.3 | 129.3 | 131.5 | -94 | 165.9 | 0 | 0 | 0 | 109.9 | ||||
| 181 | S | 31.2 | Very low | 32.8 | Very low | 117 Ų | 117 | 152.5 Ų | 152.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -51.1 | 138.8 | 173.7 | -64.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 182 | N | 27.6 | Very low | 33.4 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -162.1 | 120.7 | 130.6 | -131 | -25.1 | 0 | 0 | 0 | 111.4 | ||||
| 183 | S | 31.4 | Very low | 34.5 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -75.8 | 134.2 | 167.6 | 44.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 184 | D | 31.4 | Very low | 35.9 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | 174.8 | 157.2 | 121.6 | -90.2 | -18 | 0 | 0 | 0 | 115.4 | |||||
| 185 | P | 40.9 | Very low | 37.4 | Very low | 100 Ų | 100 | 135 Ų | 135 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | trans | -104.1 | 160.7 | -154.9 | 6.1 | 18.3 | 0 | 0 | 0 | 113.8 | ||||
| 186 | F | 30.5 | Very low | 39.1 | Very low | 199 Ų | 199 | 129.9 Ų | 129.9 | 87% | 0.873 | 71% | 0.711 | S | S | * | * | trans | 36.6 | 97.5 | 149.8 | -67.8 | -79.9 | 0 | 0 | 0 | 118.6 | Y188 | F186-Y188 PolarHBondContact O-N 3.17Å; F186-Y188 VanDerWaalsContact O-N 3.15Å | ||
| 187 | K | 32.2 | Very low | 40.9 | Very low | 218 Ų | 218 | 127.4 Ų | 127.4 | 95% | 0.948 | 70% | 0.703 | S | S | * | * | trans | -66 | 104.8 | 160.3 | -74.2 | -175.3 | 176.5 | -178.6 | 0 | 110.7 | ||||
| 188 | Y | 30.9 | Very low | 42.9 | Very low | 218 Ų | 218 | 124.9 Ų | 124.9 | 86% | 0.855 | 69% | 0.694 | S | S | * | * | trans | -90.7 | 136 | 150.6 | -102.2 | -91.1 | 0 | 0 | 0 | 109.3 | F186 N190 | F186-Y188 PolarHBondContact O-N 3.17Å; F186-Y188 VanDerWaalsContact O-N 3.15Å; Y188-N190 PolarHBondContact O-N 3.37Å | ||
| 189 | S | 33.6 | Very low | 44.9 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 80% | 0.797 | 67% | 0.67 | S | S | * | * | trans | -51.4 | 116.2 | 178.3 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | S191 | S189-S191 PolarHBondContact O-N 3.23Š| ||
| 190 | N | 32.4 | Very low | 47.2 | Very low | 156 Ų | 156 | 116 Ų | 116 | 83% | 0.834 | 64% | 0.641 | S | S | * | * | trans | -84.7 | 111.2 | 177 | -154 | 11.9 | 0 | 0 | 0 | 108.5 | Y188 T192 | Y188-N190 PolarHBondContact O-N 3.37Å; N190-T192 PolarHBondContact O-N 3.14Å | ||
| 191 | S | 42.5 | Very low | 49.2 | Very low | 61 Ų | 61 | 112.3 Ų | 112.3 | 43% | 0.427 | 63% | 0.627 | S | S | . | * | trans | -64 | 124.3 | 171 | 43.2 | 0 | 0 | 0 | 0 | 110.1 | S189 G193 | S189-S191 PolarHBondContact O-N 3.23Å; S191-G193 PolarHBondContact O-N 3.27Å; S191-G193 VanDerWaalsContact O-N 3.13Å | ||
| 192 | T | 48.3 | Very low | 51.4 | Low | 134 Ų | 134 | 112.9 Ų | 112.9 | 82% | 0.822 | 62% | 0.617 | S | S | * | * | trans | -52.4 | 114.5 | 160 | 27.2 | 0 | 0 | 0 | 0 | 108.6 | N190 | N190-T192 PolarHBondContact O-N 3.14Š| ||
| 193 | G | 56.9 | Low | 53.9 | Low | 35 Ų | 35 | 110.4 Ų | 110.4 | 36% | 0.361 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 132.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S191 | S191-G193 PolarHBondContact O-N 3.27Å; S191-G193 VanDerWaalsContact O-N 3.13Å |
| 194 | I | 64.8 | Low | 56.3 | Low | 57 Ų | 57 | 106.7 Ų | 106.7 | 29% | 0.292 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -78 | 125.6 | 175.2 | -57.8 | 177.7 | 0 | 0 | 0 | 107.7 | L199 L207 M222 T224 | I194-L199 HydrophobicContact CG2-CD1 3.64Å; I194-L207 HydrophobicContact CG2-CD2 4.44Å; I194-M222 HydrophobicContact CB-CG 4.31Å; I194-M222 HydrophobicContact CB-SD 4.33Å; I194-M222 HydrophobicContact CG2-SD 4.16Å; I194-T224 HydrophobicContact CB-CG2 4.42Å; I194-T224 HydrophobicContact CD1-CG2 3.61Å; I194-T224 HydrophobicContact CG1-CG2 3.87Å |
| 195 | S | 68.9 | Low | 58.7 | Low | 58 Ų | 58 | 105 Ų | 105 | 41% | 0.406 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -84.5 | 121.2 | 173.3 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | E197 | S195-E197 VanDerWaalsContact C-N 3.3Å; S195-E197 PolarHBondContact O-N 3.2Å |
| 196 | Y | 67.9 | Low | 60.8 | Low | 50 Ų | 50 | 104 Ų | 104 | 20% | 0.196 | 55% | 0.551 | C | S | . | * | G | 310 helix | trans | -75.1 | -19.9 | -177.5 | 67.4 | -90.1 | 0 | 0 | 0 | 112.5 | T198 I215 K220 F244 | Y196-T198 PolarHBondContact O-N 2.11Å; Y196-I215 HydrophobicContact CD1-CD1 4.11Å; Y196-I215 HydrophobicContact CE1-CD1 4.29Å; Y196-I215 HydrophobicContact CG-CD1 4.4Å; Y196-K220 WeakPolarHBondContact CE1-O 3.36Å; Y196-F244 AromaticContact CD2-CE1 3.96Å; Y196-F244 HydrophobicContact CD2-CE1 3.96Å; Y196-F244 AromaticContact CD2-CZ 3.9Å; Y196-F244 HydrophobicContact CD2-CZ 3.9Å; Y196-F244 HydrophobicContact CE2-CE1 4.38Å; Y196-F244 HydrophobicContact CE2-CZ 4.22Å; Y196-F244 HydrophobicContact CG-CZ 4.45Å |
| 197 | E | 71.4 | Confident | 63.3 | Low | 139 Ų | 139 | 95.5 Ų | 95.5 | 65% | 0.65 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -68.1 | -15.6 | 178 | -89.4 | 115.2 | -171 | 0 | 0 | 113.9 | S195 | S195-E197 VanDerWaalsContact C-N 3.3Å; S195-E197 PolarHBondContact O-N 3.2Å |
| 198 | T | 68.7 | Low | 65.9 | Low | 119 Ų | 119 | 85.3 Ų | 85.3 | 73% | 0.73 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -102.2 | -8.9 | -175.7 | -31.9 | 0 | 0 | 0 | 0 | 113.2 | Y196 | Y196-T198 PolarHBondContact O-N 2.11Š|
| 199 | L | 69.3 | Low | 68.5 | Low | 55 Ų | 55 | 79.5 Ų | 79.5 | 29% | 0.288 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -96.5 | 140 | -177.4 | -67.1 | 174 | 0 | 0 | 0 | 111.3 | I194 E203 L207 | I194-L199 HydrophobicContact CG2-CD1 3.64Å; L199-E203 HydrophobicContact CB-CB 4.34Å; L199-E203 HydrophobicContact CD2-CB 4.32Å; L199-E203 VanDerWaalsContact CD2-OE2 3.27Å; L199-E203 WeakPolarHBondContact CD2-OE2 3.25Å; L199-L207 HydrophobicContact CD1-CD2 3.81Å |
| 200 | G | 76.7 | Confident | 71 | Confident | 29 Ų | 29 | 78.2 Ų | 78.2 | 30% | 0.299 | 45% | 0.445 | S | S | . | . | trans | -68.7 | 160.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E202 E203 L204 | G200-E202 PolarHBondContact O-N 3.35Å; G200-E203 PolarHBondContact N-OE2 3.49Å; G200-E203 PolarHBondContact O-N 3.46Å; G200-E203 VanDerWaalsContact O-N 3.1Å; G200-L204 PolarHBondContact O-N 2.93Å | ||
| 201 | P | 76 | Confident | 73.7 | Confident | 95 Ų | 95 | 73 Ų | 73 | 62% | 0.617 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.1 | -33.1 | 179.7 | 22.1 | -32.1 | 0 | 0 | 0 | 113 | R205 | P201-R205 VanDerWaalsContact O-CG 3.31Å; P201-R205 WeakPolarHBondContact O-CG 3.47Å; P201-R205 PolarHBondContact O-N 3.01Å; P201-R205 VanDerWaalsContact O-N 3.11Å |
| 202 | E | 77.6 | Confident | 75.9 | Confident | 129 Ų | 129 | 70.2 Ų | 70.2 | 60% | 0.603 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69.8 | -40 | 175 | -79.6 | -75.8 | 116.3 | 0 | 0 | 112.9 | G200 L204 R205 S206 | G200-E202 PolarHBondContact O-N 3.35Å; E202-L204 VanDerWaalsContact C-N 3.33Å; E202-R205 WeakPolarHBondContact O-CB 3.49Å; E202-R205 PolarHBondContact O-N 3.48Å; E202-R205 IonicContact OE1-CZ 3.85Å; E202-R205 IonicContact OE1-NH1 2.62Å; E202-R205 PolarHBondContact OE1-NH1 2.79Å; E202-S206 PolarHBondContact O-N 2.74Å; E202-S206 VanDerWaalsContact O-N 3.16Å |
| 203 | E | 80.3 | Confident | 77.8 | Confident | 110 Ų | 110 | 63.8 Ų | 63.8 | 51% | 0.514 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 177.7 | -63.6 | 179.6 | 152.9 | 0 | 0 | 110.9 | L199 G200 S206 L207 | L199-E203 HydrophobicContact CB-CB 4.34Å; L199-E203 HydrophobicContact CD2-CB 4.32Å; L199-E203 VanDerWaalsContact CD2-OE2 3.27Å; L199-E203 WeakPolarHBondContact CD2-OE2 3.25Å; G200-E203 PolarHBondContact N-OE2 3.49Å; G200-E203 PolarHBondContact O-N 3.46Å; G200-E203 VanDerWaalsContact O-N 3.1Å; E203-S206 PolarHBondContact O-N 3.41Å; E203-L207 WeakPolarHBondContact O-CB 3.27Å; E203-L207 PolarHBondContact O-N 2.95Å |
| 204 | L | 81.8 | Confident | 79.4 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 175.4 | -166.2 | 62.5 | 0 | 0 | 0 | 111.7 | G200 E202 L207 L208 M222 F244 | G200-L204 PolarHBondContact O-N 2.93Å; E202-L204 VanDerWaalsContact C-N 3.33Å; L204-L207 PolarHBondContact O-N 3.05Å; L204-L208 HydrophobicContact CD1-CD1 4.49Å; L204-L208 HydrophobicContact CD1-CG 4.45Å; L204-L208 HydrophobicContact CG-CD1 4.05Å; L204-L208 HydrophobicContact CG-CG 4.41Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 WeakPolarHBondContact O-CG 3.43Å; L204-L208 PolarHBondContact O-N 3.07Å; L204-M222 HydrophobicContact CD1-CE 4.22Å; L204-F244 HydrophobicContact CD2-CB 3.62Å; L204-F244 HydrophobicContact CD2-CD1 3.51Å; L204-F244 HydrophobicContact CD2-CD2 4.27Å; L204-F244 HydrophobicContact CD2-CE1 4.22Å; L204-F244 HydrophobicContact CD2-CG 3.54Å |
| 205 | R | 81.6 | Confident | 80.5 | Confident | 116 Ų | 116 | 62.4 Ų | 62.4 | 44% | 0.438 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.7 | -50.5 | 171.7 | -75.7 | 173.3 | 177.1 | 170 | -4.3 | 112.1 | P201 E202 L207 L208 T209 L245 | P201-R205 VanDerWaalsContact O-CG 3.31Å; P201-R205 WeakPolarHBondContact O-CG 3.47Å; P201-R205 PolarHBondContact O-N 3.01Å; P201-R205 VanDerWaalsContact O-N 3.11Å; E202-R205 WeakPolarHBondContact O-CB 3.49Å; E202-R205 PolarHBondContact O-N 3.48Å; E202-R205 IonicContact OE1-CZ 3.85Å; E202-R205 IonicContact OE1-NH1 2.62Å; E202-R205 PolarHBondContact OE1-NH1 2.79Å; R205-L207 VanDerWaalsContact C-N 3.28Å; R205-L207 PolarHBondContact O-N 2.87Å; R205-L208 PolarHBondContact O-N 3.21Å; R205-T209 PolarHBondContact O-N 3.47Å; R205-T209 VanDerWaalsContact O-N 3.13Å; R205-T209 PolarHBondContact O-OG1 3.12Å; R205-L245 HydrophobicContact CB-CD2 4.27Å; R205-L245 HydrophobicContact CG-CD1 3.88Å; R205-L245 HydrophobicContact CG-CD2 3.18Å; R205-L245 HydrophobicContact CG-CG 4.09Å |
| 206 | S | 83.7 | Confident | 81.2 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 57% | 0.566 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.1 | -41.8 | 178.9 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | E202 E203 T209 T210 | E202-S206 PolarHBondContact O-N 2.74Å; E202-S206 VanDerWaalsContact O-N 3.16Å; E203-S206 PolarHBondContact O-N 3.41Å; S206-T209 PolarHBondContact O-N 3.22Å; S206-T210 PolarHBondContact O-OG1 3.24Å |
| 207 | L | 84.7 | Confident | 81.8 | Confident | 20 Ų | 20 | 67.5 Ų | 67.5 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.4 | -47.4 | 179.2 | -169.6 | 61.7 | 0 | 0 | 0 | 112.5 | I194 L199 E203 L204 R205 T209 T210 Q211 M222 | I194-L207 HydrophobicContact CG2-CD2 4.44Å; L199-L207 HydrophobicContact CD1-CD2 3.81Å; E203-L207 WeakPolarHBondContact O-CB 3.27Å; E203-L207 PolarHBondContact O-N 2.95Å; L204-L207 PolarHBondContact O-N 3.05Å; R205-L207 VanDerWaalsContact C-N 3.28Å; R205-L207 PolarHBondContact O-N 2.87Å; L207-T209 PolarHBondContact O-N 2.96Å; L207-T210 PolarHBondContact O-N 3.12Å; L207-T210 PolarHBondContact O-OG1 3.25Å; L207-Q211 HydrophobicContact CD1-CB 4.35Å; L207-Q211 HydrophobicContact CD1-CG 4.04Å; L207-Q211 WeakPolarHBondContact O-CB 3.37Å; L207-Q211 PolarHBondContact O-N 3.16Å; L207-M222 HydrophobicContact CD2-CE 3.33Å; L207-M222 HydrophobicContact CD2-SD 3.36Å; L207-M222 WeakPolarHBondContact CD2-SD 3.22Å; L207-M222 HydrophobicContact CG-CE 3.78Å; L207-M222 HydrophobicContact CG-SD 4.4Å |
| 208 | L | 86.3 | Confident | 81.8 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.5 | -14.9 | 179.9 | -66.8 | 176.1 | 0 | 0 | 0 | 113.7 | L204 R205 G213 M222 V240 R241 L245 | L204-L208 HydrophobicContact CD1-CD1 4.49Å; L204-L208 HydrophobicContact CD1-CG 4.45Å; L204-L208 HydrophobicContact CG-CD1 4.05Å; L204-L208 HydrophobicContact CG-CG 4.41Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 WeakPolarHBondContact O-CG 3.43Å; L204-L208 PolarHBondContact O-N 3.07Å; R205-L208 PolarHBondContact O-N 3.21Å; L208-G213 VanDerWaalsContact CD2-CA 3.49Å; L208-M222 HydrophobicContact CD2-CE 4.14Å; L208-V240 HydrophobicContact CD2-CG1 4.17Å; L208-R241 HydrophobicContact CB-CG 4.1Å; L208-R241 HydrophobicContact CD1-CG 4.13Å; L208-R241 PolarHBondContact O-NE 3.1Å; L208-R241 VanDerWaalsContact O-NE 3.09Å; L208-R241 PolarHBondContact O-NH2 3.22Å; L208-L245 HydrophobicContact CD1-CD1 4.23Å; L208-L245 HydrophobicContact CD1-CG 4.32Å |
| 209 | T | 85.4 | Confident | 82.3 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 58% | 0.583 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -77.5 | -28.3 | 173.8 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | R205 S206 L207 L227 | R205-T209 PolarHBondContact O-N 3.47Å; R205-T209 VanDerWaalsContact O-N 3.13Å; R205-T209 PolarHBondContact O-OG1 3.12Å; S206-T209 PolarHBondContact O-N 3.22Å; L207-T209 PolarHBondContact O-N 2.96Å; T209-L227 VanDerWaalsContact O-CD1 3.28Å; T209-L227 WeakPolarHBondContact O-CD1 3.39Å |
| 210 | T | 85.6 | Confident | 82.6 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 53% | 0.534 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -114.4 | -21.3 | -174.2 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | S206 L207 | S206-T210 PolarHBondContact O-OG1 3.24Å; L207-T210 PolarHBondContact O-N 3.12Å; L207-T210 PolarHBondContact O-OG1 3.25Å |
| 211 | Q | 88.6 | Confident | 82.9 | Confident | 48 Ų | 48 | 75.9 Ų | 75.9 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -123.4 | 159.3 | -173.6 | -57.3 | -175.3 | 34.5 | 0 | 0 | 112.7 | L207 G213 T224 R225 L227 | L207-Q211 HydrophobicContact CD1-CB 4.35Å; L207-Q211 HydrophobicContact CD1-CG 4.04Å; L207-Q211 WeakPolarHBondContact O-CB 3.37Å; L207-Q211 PolarHBondContact O-N 3.16Å; Q211-G213 VanDerWaalsContact C-N 3.32Å; Q211-G213 PolarHBondContact O-N 2.83Å; Q211-T224 VanDerWaalsContact OE1-CA 3.27Å; Q211-T224 PolarHBondContact OE1-O 3.5Å; Q211-R225 CarbonylContact C-O 3.49Å; Q211-R225 WeakPolarHBondContact CA-O 3.2Å; Q211-L227 WeakPolarHBondContact O-CD2 3.14Å |
| 212 | C | 90.4 | Very high | 83.3 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | trans | -59.7 | -41.9 | -172.3 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | V214 C223 R225 S226 C229 H232 R237 | C212-V214 PolarHBondContact O-N 3.48Å; C212-C223 HydrophobicContact CB-CB 3.9Å; C212-R225 HydrophobicContact CB-CB 4.42Å; C212-R225 VanDerWaalsContact CB-O 3.23Å; C212-R225 WeakPolarHBondContact CB-O 3.36Å; C212-R225 PolarHBondContact N-O 3.48Å; C212-S226 WeakPolarHBondContact CB-O 3.47Å; C212-C229 HydrophobicContact CB-CB 3.81Å; C212-C229 WeakPolarHBondContact CB-SG 3.42Å; C212-C229 WeakPolarHBondContact SG-CB 3.23Å; C212-C229 CovalentContact SG-SG 2.11Å; C212-C229 PolarHBondContact SG-SG 3.13Å; C212-H232 PolarHBondContact SG-ND1 3.21Å; C212-R237 PolarHBondContact SG-NH1 3.39Å; C212-R237 PolarHBondContact SG-NH2 2.96Å | ||
| 213 | G | 87.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | 72.8 | -18.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L208 Q211 I215 C223 | L208-G213 VanDerWaalsContact CD2-CA 3.49Å; Q211-G213 VanDerWaalsContact C-N 3.32Å; Q211-G213 PolarHBondContact O-N 2.83Å; G213-I215 PolarHBondContact O-N 3Å; G213-C223 PolarHBondContact N-O 2.82Å | ||
| 214 | V | 90.1 | Very high | 84 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 124.2 | -178.8 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | C212 C223 H232 Q236 R237 | C212-V214 PolarHBondContact O-N 3.48Å; V214-C223 WeakPolarHBondContact O-CB 3.21Å; V214-C223 PolarHBondContact O-N 2.68Å; V214-H232 HydrophobicContact CB-CB 4.14Å; V214-H232 HydrophobicContact CG1-CB 4.32Å; V214-H232 HydrophobicContact CG2-CB 3.72Å; V214-Q236 HydrophobicContact CG1-CB 4.26Å; V214-Q236 HydrophobicContact CG2-CB 4.05Å; V214-R237 HydrophobicContact CG2-CB 4.46Å; V214-R237 HydrophobicContact CG2-CG 3.73Å |
| 215 | I | 88.5 | Confident | 84.2 | Confident | 49 Ų | 49 | 70.1 Ų | 70.1 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -85.4 | 120.2 | -178.6 | -57.7 | 179.4 | 0 | 0 | 0 | 108.2 | Y196 G213 E217 M222 F244 | Y196-I215 HydrophobicContact CD1-CD1 4.11Å; Y196-I215 HydrophobicContact CE1-CD1 4.29Å; Y196-I215 HydrophobicContact CG-CD1 4.4Å; G213-I215 PolarHBondContact O-N 3Å; I215-E217 PolarHBondContact O-N 3.26Å; I215-M222 HydrophobicContact CG1-CB 4.26Å; I215-F244 HydrophobicContact CD1-CE2 3.49Å; I215-F244 VanDerWaalsContact CD1-CE2 3.49Å; I215-F244 HydrophobicContact CD1-CZ 3.66Å |
| 216 | S | 83.9 | Confident | 84.5 | Confident | 44 Ų | 44 | 68 Ų | 68 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 124.9 | 174.9 | 169.4 | 0 | 0 | 0 | 0 | 109.8 | H218 T219 K220 K221 | S216-H218 VanDerWaalsContact C-N 3.31Å; S216-H218 PolarHBondContact O-N 3.47Å; S216-T219 VanDerWaalsContact CB-OG1 3.27Å; S216-T219 WeakPolarHBondContact CB-OG1 3.28Å; S216-T219 PolarHBondContact O-N 2.84Å; S216-T219 PolarHBondContact OG-OG1 2.85Å; S216-K220 WeakPolarHBondContact O-CA 3.28Å; S216-K220 PolarHBondContact O-N 3.29Å; S216-K221 PolarHBondContact N-O 3.2Å |
| 217 | E | 80.9 | Confident | 84.6 | Confident | 171 Ų | 171 | 67.1 Ų | 67.1 | 80% | 0.799 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -41.9 | -178.4 | -172.2 | 173.4 | -177.4 | 0 | 0 | 112.8 | I215 T219 | I215-E217 PolarHBondContact O-N 3.26Å; E217-T219 PolarHBondContact O-N 2.84Å |
| 218 | H | 71.6 | Confident | 84.6 | Confident | 178 Ų | 178 | 76 Ų | 76 | 82% | 0.824 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -23.8 | -176.9 | -65.7 | -65.7 | 0 | 0 | 0 | 114.5 | S216 | S216-H218 VanDerWaalsContact C-N 3.31Å; S216-H218 PolarHBondContact O-N 3.47Å |
| 219 | T | 77.9 | Confident | 84.7 | Confident | 78 Ų | 78 | 76 Ų | 76 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -10.3 | -173.4 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | S216 E217 K221 | S216-T219 VanDerWaalsContact CB-OG1 3.27Å; S216-T219 WeakPolarHBondContact CB-OG1 3.28Å; S216-T219 PolarHBondContact O-N 2.84Å; S216-T219 PolarHBondContact OG-OG1 2.85Å; E217-T219 PolarHBondContact O-N 2.84Å; T219-K221 WeakPolarHBondContact O-CG 3.24Å; T219-K221 PolarHBondContact O-N 3.5Å |
| 220 | K | 76.4 | Confident | 84.5 | Confident | 146 Ų | 146 | 78.1 Ų | 78.1 | 64% | 0.635 | 39% | 0.391 | S | S | * | . | trans | 49.9 | 17.3 | -170.7 | -61.7 | -172.2 | 177.1 | -173.2 | 0 | 114 | Y196 S216 | Y196-K220 WeakPolarHBondContact CE1-O 3.36Å; S216-K220 WeakPolarHBondContact O-CA 3.28Å; S216-K220 PolarHBondContact O-N 3.29Å | ||
| 221 | K | 81.9 | Confident | 84.4 | Confident | 116 Ų | 116 | 81.4 Ų | 81.4 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 137.5 | 179.1 | -73.9 | 171.4 | -178.4 | 178.2 | 0 | 109 | S216 T219 | S216-K221 PolarHBondContact N-O 3.2Å; T219-K221 WeakPolarHBondContact O-CG 3.24Å; T219-K221 PolarHBondContact O-N 3.5Å |
| 222 | M | 84.9 | Confident | 84.3 | Confident | 10 Ų | 10 | 80.7 Ų | 80.7 | 5% | 0.049 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -77 | 142.8 | 173.2 | 72 | -175.5 | -57.7 | 0 | 0 | 111.2 | I194 L204 L207 L208 I215 T224 | I194-M222 HydrophobicContact CB-CG 4.31Å; I194-M222 HydrophobicContact CB-SD 4.33Å; I194-M222 HydrophobicContact CG2-SD 4.16Å; L204-M222 HydrophobicContact CD1-CE 4.22Å; L207-M222 HydrophobicContact CD2-CE 3.33Å; L207-M222 HydrophobicContact CD2-SD 3.36Å; L207-M222 WeakPolarHBondContact CD2-SD 3.22Å; L207-M222 HydrophobicContact CG-CE 3.78Å; L207-M222 HydrophobicContact CG-SD 4.4Å; L208-M222 HydrophobicContact CD2-CE 4.14Å; I215-M222 HydrophobicContact CG1-CB 4.26Å; M222-T224 PolarHBondContact O-N 3.37Å |
| 223 | C | 87.5 | Confident | 84.2 | Confident | 19 Ų | 19 | 84.5 Ų | 84.5 | 13% | 0.128 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 116.5 | 175.9 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | C212 G213 V214 R225 | C212-C223 HydrophobicContact CB-CB 3.9Å; G213-C223 PolarHBondContact N-O 2.82Å; V214-C223 WeakPolarHBondContact O-CB 3.21Å; V214-C223 PolarHBondContact O-N 2.68Å; C223-R225 VanDerWaalsContact C-N 3.3Å; C223-R225 PolarHBondContact O-N 3.09Å |
| 224 | T | 85.4 | Confident | 84.2 | Confident | 44 Ų | 44 | 88.5 Ų | 88.5 | 27% | 0.27 | 44% | 0.442 | S | S | . | . | trans | -88.9 | 7.3 | 178.6 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | I194 Q211 M222 | I194-T224 HydrophobicContact CB-CG2 4.42Å; I194-T224 HydrophobicContact CD1-CG2 3.61Å; I194-T224 HydrophobicContact CG1-CG2 3.87Å; Q211-T224 VanDerWaalsContact OE1-CA 3.27Å; Q211-T224 PolarHBondContact OE1-O 3.5Å; M222-T224 PolarHBondContact O-N 3.37Å | ||
| 225 | R | 85.7 | Confident | 84.1 | Confident | 152 Ų | 152 | 93 Ų | 93 | 57% | 0.574 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -71.4 | 164.9 | 174.5 | -59.6 | -67.4 | 165.1 | 174.2 | -6.2 | 109.9 | Q211 C212 C223 C229 | Q211-R225 CarbonylContact C-O 3.49Å; Q211-R225 WeakPolarHBondContact CA-O 3.2Å; C212-R225 HydrophobicContact CB-CB 4.42Å; C212-R225 VanDerWaalsContact CB-O 3.23Å; C212-R225 WeakPolarHBondContact CB-O 3.36Å; C212-R225 PolarHBondContact N-O 3.48Å; C223-R225 VanDerWaalsContact C-N 3.3Å; C223-R225 PolarHBondContact O-N 3.09Å; R225-C229 HydrophobicContact CB-CB 3.61Å |
| 226 | S | 88 | Confident | 84 | Confident | 71 Ų | 71 | 94.7 Ų | 94.7 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | B | Isolated β-bridge | trans | -66.4 | 172.7 | -179.2 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | C212 R228 C229 R237 | C212-S226 WeakPolarHBondContact CB-O 3.47Å; S226-R228 PolarHBondContact O-N 3.15Å; S226-R228 PolarHBondContact OG-N 3.11Å; S226-C229 VanDerWaalsContact O-CB 3.3Å; S226-C229 WeakPolarHBondContact O-CB 3.31Å; S226-C229 PolarHBondContact O-N 3.4Å; S226-R237 PolarHBondContact O-NH1 3.4Å |
| 227 | L | 85.6 | Confident | 84.2 | Confident | 64 Ų | 64 | 92.9 Ų | 92.9 | 34% | 0.335 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -15.6 | 172 | -66.9 | -171.2 | 0 | 0 | 0 | 114.9 | T209 Q211 R237 | T209-L227 VanDerWaalsContact O-CD1 3.28Å; T209-L227 WeakPolarHBondContact O-CD1 3.39Å; Q211-L227 WeakPolarHBondContact O-CD2 3.14Å; L227-R237 PolarHBondContact O-NE 3.21Å; L227-R237 PolarHBondContact O-NH1 3.42Å; L227-R237 PolarHBondContact O-NH2 2.78Å |
| 228 | R | 85.4 | Confident | 84.4 | Confident | 205 Ų | 205 | 89 Ų | 89 | 77% | 0.774 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 25.2 | 176.5 | -146.2 | 71.4 | -177.3 | 175.4 | 0.8 | 113.4 | S226 P230 | S226-R228 PolarHBondContact O-N 3.15Å; S226-R228 PolarHBondContact OG-N 3.11Å; R228-P230 WeakPolarHBondContact O-CD 3.36Å |
| 229 | C | 86.7 | Confident | 85.1 | Confident | 6 Ų | 6 | 84 Ų | 84 | 4% | 0.041 | 42% | 0.415 | C | S | . | . | trans | -63.2 | 114.4 | -177.4 | 102 | 0 | 0 | 0 | 0 | 110.4 | C212 R225 S226 Q231 H232 R237 | C212-C229 HydrophobicContact CB-CB 3.81Å; C212-C229 WeakPolarHBondContact CB-SG 3.42Å; C212-C229 WeakPolarHBondContact SG-CB 3.23Å; C212-C229 CovalentContact SG-SG 2.11Å; C212-C229 PolarHBondContact SG-SG 3.13Å; R225-C229 HydrophobicContact CB-CB 3.61Å; S226-C229 VanDerWaalsContact O-CB 3.3Å; S226-C229 WeakPolarHBondContact O-CB 3.31Å; S226-C229 PolarHBondContact O-N 3.4Å; C229-Q231 PolarHBondContact O-N 2.82Å; C229-Q231 VanDerWaalsContact O-N 3.09Å; C229-H232 PolarHBondContact O-N 3.21Å; C229-H232 VanDerWaalsContact O-O 3.11Å; C229-H232 PolarHBondContact SG-ND1 3.12Å; C229-R237 PolarHBondContact O-NH2 3.23Å; C229-R237 PolarHBondContact SG-NH2 3.13Å | ||
| 230 | P | 82.5 | Confident | 85.5 | Confident | 139 Ų | 139 | 81.2 Ų | 81.2 | 90% | 0.903 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -9.1 | -172.9 | 28.8 | -36 | 0 | 0 | 0 | 113.5 | R228 | R228-P230 WeakPolarHBondContact O-CD 3.36Š|
| 231 | Q | 83.1 | Confident | 86 | Confident | 156 Ų | 156 | 77.1 Ų | 77.1 | 73% | 0.729 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -20.3 | -179 | -169.1 | 170.9 | -2.2 | 0 | 0 | 113.1 | C229 | C229-Q231 PolarHBondContact O-N 2.82Å; C229-Q231 VanDerWaalsContact O-N 3.09Å |
| 232 | H | 85.7 | Confident | 86.2 | Confident | 32 Ų | 32 | 74.9 Ų | 74.9 | 15% | 0.148 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -133 | 139.8 | -178.1 | -52.8 | 125.6 | 0 | 0 | 0 | 111.5 | C212 V214 C229 R237 | C212-H232 PolarHBondContact SG-ND1 3.21Å; V214-H232 HydrophobicContact CB-CB 4.14Å; V214-H232 HydrophobicContact CG1-CB 4.32Å; V214-H232 HydrophobicContact CG2-CB 3.72Å; C229-H232 PolarHBondContact O-N 3.21Å; C229-H232 VanDerWaalsContact O-O 3.11Å; C229-H232 PolarHBondContact SG-ND1 3.12Å; H232-R237 PolarHBondContact O-NH2 2.81Å |
| 233 | T | 89 | Confident | 86.1 | Confident | 82 Ų | 82 | 83.3 Ų | 83.3 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | trans | -77.3 | 161 | 178.9 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | E235 Q236 R237 | T233-E235 PolarHBondContact O-N 2.99Å; T233-Q236 PolarHBondContact O-N 3.33Å; T233-Q236 WeakPolarHBondContact OG1-CG 3.27Å; T233-Q236 PolarHBondContact OG1-N 3.28Å; T233-R237 WeakPolarHBondContact O-CG 3.36Å; T233-R237 PolarHBondContact O-N 3.13Å | ||
| 234 | D | 86.8 | Confident | 85.9 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 44% | 0.444 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.2 | -29.3 | 177.4 | -70.4 | -26.6 | 0 | 0 | 0 | 112 | R237 R238 | D234-R237 WeakPolarHBondContact O-CB 3.44Å; D234-R237 PolarHBondContact O-N 3.41Å; D234-R237 IonicContact OD1-NE 2.69Å; D234-R237 PolarHBondContact OD1-NE 2.85Å; D234-R238 PolarHBondContact O-N 2.66Å |
| 235 | E | 88.4 | Confident | 85.5 | Confident | 107 Ų | 107 | 84.7 Ų | 84.7 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 172.8 | -164.4 | 60.1 | -111 | 0 | 0 | 112.2 | T233 R237 R238 T239 | T233-E235 PolarHBondContact O-N 2.99Å; E235-R237 PolarHBondContact O-N 3.13Å; E235-R238 PolarHBondContact O-N 3.33Å; E235-R238 VanDerWaalsContact O-N 3.07Å; E235-R238 IonicContact OE1-NH1 3.6Å; E235-R238 PolarHBondContact OE1-NH1 3.37Å; E235-R238 IonicContact OE2-CZ 3.95Å; E235-R238 IonicContact OE2-NH1 2.91Å; E235-R238 PolarHBondContact OE2-NH1 3.48Å; E235-T239 WeakPolarHBondContact O-CG2 3.23Å; E235-T239 PolarHBondContact O-N 3.11Å; E235-T239 PolarHBondContact O-OG1 2.92Å |
| 236 | Q | 86.1 | Confident | 84.9 | Confident | 86 Ų | 86 | 78.6 Ų | 78.6 | 40% | 0.402 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.9 | -26.1 | 177.3 | -70.7 | 173.3 | -21.4 | 0 | 0 | 112.6 | V214 T233 T239 V240 | V214-Q236 HydrophobicContact CG1-CB 4.26Å; V214-Q236 HydrophobicContact CG2-CB 4.05Å; T233-Q236 PolarHBondContact O-N 3.33Å; T233-Q236 WeakPolarHBondContact OG1-CG 3.27Å; T233-Q236 PolarHBondContact OG1-N 3.28Å; Q236-T239 PolarHBondContact O-OG1 3.38Å; Q236-V240 WeakPolarHBondContact O-CG2 3.47Å |
| 237 | R | 89.3 | Confident | 83.9 | Confident | 5 Ų | 5 | 80.4 Ų | 80.4 | 2% | 0.019 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -78.2 | -39.9 | 173.8 | -56.9 | 171.7 | -156 | -101.9 | -9.3 | 111.1 | C212 V214 S226 L227 C229 H232 T233 D234 E235 V240 R241 | C212-R237 PolarHBondContact SG-NH1 3.39Å; C212-R237 PolarHBondContact SG-NH2 2.96Å; V214-R237 HydrophobicContact CG2-CB 4.46Å; V214-R237 HydrophobicContact CG2-CG 3.73Å; S226-R237 PolarHBondContact O-NH1 3.4Å; L227-R237 PolarHBondContact O-NE 3.21Å; L227-R237 PolarHBondContact O-NH1 3.42Å; L227-R237 PolarHBondContact O-NH2 2.78Å; C229-R237 PolarHBondContact O-NH2 3.23Å; C229-R237 PolarHBondContact SG-NH2 3.13Å; H232-R237 PolarHBondContact O-NH2 2.81Å; T233-R237 WeakPolarHBondContact O-CG 3.36Å; T233-R237 PolarHBondContact O-N 3.13Å; D234-R237 WeakPolarHBondContact O-CB 3.44Å; D234-R237 PolarHBondContact O-N 3.41Å; D234-R237 IonicContact OD1-NE 2.69Å; D234-R237 PolarHBondContact OD1-NE 2.85Å; E235-R237 PolarHBondContact O-N 3.13Å; R237-V240 PolarHBondContact O-N 3.49Å; R237-R241 WeakPolarHBondContact O-CG 3.32Å; R237-R241 PolarHBondContact O-N 3.45Å |
| 238 | R | 83.9 | Confident | 82.5 | Confident | 89 Ų | 89 | 83.2 Ų | 83.2 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.7 | -73.2 | -158.2 | -137.2 | 95.8 | -8.4 | 110.9 | D234 E235 V240 R241 I242 E253 | D234-R238 PolarHBondContact O-N 2.66Å; E235-R238 PolarHBondContact O-N 3.33Å; E235-R238 VanDerWaalsContact O-N 3.07Å; E235-R238 IonicContact OE1-NH1 3.6Å; E235-R238 PolarHBondContact OE1-NH1 3.37Å; E235-R238 IonicContact OE2-CZ 3.95Å; E235-R238 IonicContact OE2-NH1 2.91Å; E235-R238 PolarHBondContact OE2-NH1 3.48Å; R238-V240 VanDerWaalsContact C-N 3.33Å; R238-V240 PolarHBondContact O-N 3.26Å; R238-R241 PolarHBondContact O-N 3.36Å; R238-R241 VanDerWaalsContact O-N 3.14Å; R238-I242 VanDerWaalsContact O-CG1 3.3Å; R238-I242 WeakPolarHBondContact O-CG1 3.47Å; R238-I242 PolarHBondContact O-N 3.21Å; R238-E253 IonicContact NH2-OE2 3.39Å |
| 239 | T | 87.1 | Confident | 81 | Confident | 73 Ų | 73 | 75.5 Ų | 75.5 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 178.9 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | E235 Q236 I242 Y243 | E235-T239 WeakPolarHBondContact O-CG2 3.23Å; E235-T239 PolarHBondContact O-N 3.11Å; E235-T239 PolarHBondContact O-OG1 2.92Å; Q236-T239 PolarHBondContact O-OG1 3.38Å; T239-I242 PolarHBondContact O-N 3.02Å; T239-Y243 WeakPolarHBondContact O-CB 3.24Å; T239-Y243 PolarHBondContact O-N 3.11Å |
| 240 | V | 86.9 | Confident | 79.1 | Confident | 21 Ų | 21 | 79.4 Ų | 79.4 | 13% | 0.127 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | L208 Q236 R237 R238 Y243 F244 | L208-V240 HydrophobicContact CD2-CG1 4.17Å; Q236-V240 WeakPolarHBondContact O-CG2 3.47Å; R237-V240 PolarHBondContact O-N 3.49Å; R238-V240 VanDerWaalsContact C-N 3.33Å; R238-V240 PolarHBondContact O-N 3.26Å; V240-Y243 PolarHBondContact O-N 2.97Å; V240-F244 HydrophobicContact CG1-CD2 3.82Å; V240-F244 HydrophobicContact CG1-CE2 4.02Å; V240-F244 WeakPolarHBondContact O-CD2 3.47Å; V240-F244 PolarHBondContact O-N 2.96Å; V240-F244 VanDerWaalsContact O-N 3.12Å |
| 241 | R | 86.4 | Confident | 77.3 | Confident | 60 Ų | 60 | 80.1 Ų | 80.1 | 23% | 0.226 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 175.2 | -73.3 | 176.5 | -172.7 | 138.5 | -4 | 112 | L208 R237 R238 Y243 F244 L245 | L208-R241 HydrophobicContact CB-CG 4.1Å; L208-R241 HydrophobicContact CD1-CG 4.13Å; L208-R241 PolarHBondContact O-NE 3.1Å; L208-R241 VanDerWaalsContact O-NE 3.09Å; L208-R241 PolarHBondContact O-NH2 3.22Å; R237-R241 WeakPolarHBondContact O-CG 3.32Å; R237-R241 PolarHBondContact O-N 3.45Å; R238-R241 PolarHBondContact O-N 3.36Å; R238-R241 VanDerWaalsContact O-N 3.14Å; R241-Y243 VanDerWaalsContact C-N 3.32Å; R241-Y243 PolarHBondContact O-N 3.36Å; R241-F244 PolarHBondContact O-N 3.16Å; R241-L245 HydrophobicContact CB-CD1 4.41Å; R241-L245 WeakPolarHBondContact O-CA 3.3Å; R241-L245 WeakPolarHBondContact O-CB 3.42Å; R241-L245 WeakPolarHBondContact O-CG 3.38Å; R241-L245 PolarHBondContact O-N 3.47Å |
| 242 | I | 85.6 | Confident | 75.4 | Confident | 68 Ų | 68 | 78.7 Ų | 78.7 | 35% | 0.349 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 178.1 | -67.3 | 165 | 0 | 0 | 0 | 110.4 | R238 T239 F244 G246 V250 | R238-I242 VanDerWaalsContact O-CG1 3.3Å; R238-I242 WeakPolarHBondContact O-CG1 3.47Å; R238-I242 PolarHBondContact O-N 3.21Å; T239-I242 PolarHBondContact O-N 3.02Å; I242-F244 PolarHBondContact O-N 2.91Å; I242-G246 CarbonylContact O-C 3.56Å; I242-G246 WeakPolarHBondContact O-CA 3.29Å; I242-G246 PolarHBondContact O-N 2.93Å; I242-V250 HydrophobicContact CD1-CG2 4.33Å; I242-V250 HydrophobicContact CG1-CG2 4.34Å |
| 243 | Y | 83.3 | Confident | 73.1 | Confident | 187 Ų | 187 | 84.3 Ų | 84.3 | 73% | 0.733 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | -179.6 | -176.8 | -97.5 | 0 | 0 | 0 | 113.1 | T239 V240 R241 | T239-Y243 WeakPolarHBondContact O-CB 3.24Å; T239-Y243 PolarHBondContact O-N 3.11Å; V240-Y243 PolarHBondContact O-N 2.97Å; R241-Y243 VanDerWaalsContact C-N 3.32Å; R241-Y243 PolarHBondContact O-N 3.36Å |
| 244 | F | 82.2 | Confident | 70.8 | Confident | 59 Ų | 59 | 86.9 Ų | 86.9 | 26% | 0.259 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -92.4 | -29.2 | -177 | -75.3 | -73.6 | 0 | 0 | 0 | 114.8 | Y196 L204 I215 V240 R241 I242 | Y196-F244 AromaticContact CD2-CE1 3.96Å; Y196-F244 HydrophobicContact CD2-CE1 3.96Å; Y196-F244 AromaticContact CD2-CZ 3.9Å; Y196-F244 HydrophobicContact CD2-CZ 3.9Å; Y196-F244 HydrophobicContact CE2-CE1 4.38Å; Y196-F244 HydrophobicContact CE2-CZ 4.22Å; Y196-F244 HydrophobicContact CG-CZ 4.45Å; L204-F244 HydrophobicContact CD2-CB 3.62Å; L204-F244 HydrophobicContact CD2-CD1 3.51Å; L204-F244 HydrophobicContact CD2-CD2 4.27Å; L204-F244 HydrophobicContact CD2-CE1 4.22Å; L204-F244 HydrophobicContact CD2-CG 3.54Å; I215-F244 HydrophobicContact CD1-CE2 3.49Å; I215-F244 VanDerWaalsContact CD1-CE2 3.49Å; I215-F244 HydrophobicContact CD1-CZ 3.66Å; V240-F244 HydrophobicContact CG1-CD2 3.82Å; V240-F244 HydrophobicContact CG1-CE2 4.02Å; V240-F244 WeakPolarHBondContact O-CD2 3.47Å; V240-F244 PolarHBondContact O-N 2.96Å; V240-F244 VanDerWaalsContact O-N 3.12Å; R241-F244 PolarHBondContact O-N 3.16Å; I242-F244 PolarHBondContact O-N 2.91Å |
| 245 | L | 78.3 | Confident | 68.5 | Low | 34 Ų | 34 | 91.1 Ų | 91.1 | 18% | 0.178 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -106.1 | -9.7 | -173.5 | -50.5 | -178.2 | 0 | 0 | 0 | 113.1 | R205 L208 R241 A249 | R205-L245 HydrophobicContact CB-CD2 4.27Å; R205-L245 HydrophobicContact CG-CD1 3.88Å; R205-L245 HydrophobicContact CG-CD2 3.18Å; R205-L245 HydrophobicContact CG-CG 4.09Å; L208-L245 HydrophobicContact CD1-CD1 4.23Å; L208-L245 HydrophobicContact CD1-CG 4.32Å; R241-L245 HydrophobicContact CB-CD1 4.41Å; R241-L245 WeakPolarHBondContact O-CA 3.3Å; R241-L245 WeakPolarHBondContact O-CB 3.42Å; R241-L245 WeakPolarHBondContact O-CG 3.38Å; R241-L245 PolarHBondContact O-N 3.47Å; L245-A249 HydrophobicContact CB-CB 3.81Å; L245-A249 HydrophobicContact CD1-CB 4.29Å |
| 246 | G | 73.4 | Confident | 66.3 | Low | 23 Ų | 23 | 91.4 Ų | 91.4 | 24% | 0.237 | 50% | 0.5 | C | S | . | . | trans | 83.3 | 168.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I242 S248 A249 | I242-G246 CarbonylContact O-C 3.56Å; I242-G246 WeakPolarHBondContact O-CA 3.29Å; I242-G246 PolarHBondContact O-N 2.93Å; G246-S248 PolarHBondContact O-N 3.45Å; G246-A249 PolarHBondContact O-N 3.44Å | ||
| 247 | P | 66.8 | Low | 64 | Low | 110 Ų | 110 | 92 Ų | 92 | 71% | 0.714 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -57.8 | -18.5 | -178 | -25.2 | 34.6 | 0 | 0 | 0 | 115 | A249 | P247-A249 PolarHBondContact O-N 3.28Š|
| 248 | S | 55 | Low | 62 | Low | 122 Ų | 122 | 100 Ų | 100 | 85% | 0.853 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -74.7 | -0.7 | 179.7 | -162.7 | 0 | 0 | 0 | 0 | 114.4 | G246 | G246-S248 PolarHBondContact O-N 3.45Š|
| 249 | A | 54.4 | Low | 59.7 | Low | 43 Ų | 43 | 102.6 Ų | 102.6 | 36% | 0.355 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -89.9 | 6.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L245 G246 P247 L251 | L245-A249 HydrophobicContact CB-CB 3.81Å; L245-A249 HydrophobicContact CD1-CB 4.29Å; G246-A249 PolarHBondContact O-N 3.44Å; P247-A249 PolarHBondContact O-N 3.28Å; A249-L251 PolarHBondContact O-N 2.81Å |
| 250 | V | 47.4 | Very low | 57.6 | Low | 88 Ų | 88 | 106.1 Ų | 106.1 | 53% | 0.533 | 59% | 0.593 | S | S | . | * | trans | -82 | 110.6 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | I242 | I242-V250 HydrophobicContact CD1-CG2 4.33Å; I242-V250 HydrophobicContact CG1-CG2 4.34Å | ||
| 251 | L | 45.3 | Very low | 55.3 | Low | 155 Ų | 155 | 112.4 Ų | 112.4 | 81% | 0.812 | 63% | 0.626 | S | S | * | * | trans | -68.6 | 143.6 | 162.3 | -87.9 | 171.9 | 0 | 0 | 0 | 108.6 | A249 E253 | A249-L251 PolarHBondContact O-N 2.81Å; L251-E253 PolarHBondContact O-N 3Å | ||
| 252 | P | 42.3 | Very low | 53.6 | Low | 125 Ų | 125 | 113.4 Ų | 113.4 | 81% | 0.812 | 66% | 0.655 | S | S | * | * | trans | -68 | 106 | -166.6 | 25.8 | -30.8 | 0 | 0 | 0 | 110.3 | ||||
| 253 | E | 36.8 | Very low | 51.2 | Low | 151 Ų | 151 | 119 Ų | 119 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | trans | -98.8 | 130.5 | 160.4 | -156.5 | 164.7 | -162.8 | 0 | 0 | 105.8 | R238 L251 E255 | R238-E253 IonicContact NH2-OE2 3.39Å; L251-E253 PolarHBondContact O-N 3Å; E253-E255 PolarHBondContact O-N 3.36Å | ||
| 254 | V | 41.2 | Very low | 49.2 | Very low | 136 Ų | 136 | 115.3 Ų | 115.3 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | trans | -61.4 | 127.2 | -172.3 | 85.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 255 | E | 39 | Very low | 47.6 | Very low | 172 Ų | 172 | 120.6 Ų | 120.6 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | 169.9 | 140.4 | 129.7 | -95.7 | -167.8 | 143.4 | 0 | 0 | 113.4 | E253 | E253-E255 PolarHBondContact O-N 3.36Š| |||
| 256 | S | 42.4 | Very low | 46.1 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | trans | 34.8 | 102.2 | 148.9 | 68.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 257 | S | 36.2 | Very low | 44.8 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | -132.9 | 121.2 | 141.9 | -167.9 | 0 | 0 | 0 | 0 | 108.6 | D259 | S257-D259 PolarHBondContact O-N 3.33Å; S257-D259 PolarHBondContact OG-OD2 3.02Å | ||
| 258 | L | 48.4 | Very low | 43.8 | Very low | 171 Ų | 171 | 126.1 Ų | 126.1 | 90% | 0.895 | 73% | 0.726 | S | S | * | * | trans | -60.4 | 108.7 | 164.2 | -77.3 | 154.1 | 0 | 0 | 0 | 108 | ||||
| 259 | D | 35.8 | Very low | 43.5 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | trans | -132.8 | 102.8 | 156.7 | -79.8 | -68.4 | 0 | 0 | 0 | 108.2 | S257 D261 | S257-D259 PolarHBondContact O-N 3.33Å; S257-D259 PolarHBondContact OG-OD2 3.02Å; D259-D261 PolarHBondContact O-N 3.14Å | ||
| 260 | N | 43.5 | Very low | 43.4 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -70 | 106.1 | 164.6 | 165.7 | 77.6 | 0 | 0 | 0 | 107.7 | ||||
| 261 | D | 37.7 | Very low | 43.5 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -153.1 | 136.5 | 144.5 | -87.9 | -36.5 | 0 | 0 | 0 | 109.7 | D259 | D259-D261 PolarHBondContact O-N 3.14Š| ||
| 262 | G | 51.2 | Low | 43.7 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | trans | -60.9 | 145.1 | -153.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 263 | F | 35.1 | Very low | 43.9 | Very low | 184 Ų | 184 | 127.2 Ų | 127.2 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | trans | -138.9 | 141.9 | 171.3 | -162.7 | -100.3 | 0 | 0 | 0 | 111.5 | ||||
| 264 | D | 41.7 | Very low | 44.4 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | -74 | 143.4 | -162.9 | -173.1 | 37.9 | 0 | 0 | 0 | 114.3 | T266 | D264-T266 PolarHBondContact O-N 3.21Å; D264-T266 PolarHBondContact OD2-OG1 3.45Å | ||
| 265 | M | 47.4 | Very low | 44.4 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 83% | 0.833 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 0.9 | -171.6 | -165 | 69.7 | 152.9 | 0 | 0 | 113.7 | ||
| 266 | T | 47.6 | Very low | 44.3 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -21.9 | -168 | -39.3 | 0 | 0 | 0 | 0 | 113.7 | D264 | D264-T266 PolarHBondContact O-N 3.21Å; D264-T266 PolarHBondContact OD2-OG1 3.45Å |
| 267 | D | 45.3 | Very low | 44.1 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 57% | 0.567 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -90.1 | -13.5 | -172.7 | -123 | 7 | 0 | 0 | 0 | 114.1 | Q269 A270 | D267-Q269 VanDerWaalsContact C-N 3.33Å; D267-Q269 PolarHBondContact O-N 3.3Å; D267-A270 PolarHBondContact O-N 3Å |
| 268 | S | 45.9 | Very low | 43.9 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 52% | 0.524 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -72.8 | -22.1 | 177.9 | -66.6 | 0 | 0 | 0 | 0 | 113.9 | I272 | S268-I272 WeakPolarHBondContact O-CD1 3.38Å; S268-I272 WeakPolarHBondContact O-CG1 3.36Å |
| 269 | Q | 48.7 | Very low | 43.6 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -71.6 | -32 | 174.8 | -83.5 | -107.2 | 2.9 | 0 | 0 | 112.3 | D267 S273 | D267-Q269 VanDerWaalsContact C-N 3.33Å; D267-Q269 PolarHBondContact O-N 3.3Å; Q269-S273 PolarHBondContact O-OG 3.04Å |
| 270 | A | 52.2 | Low | 43.3 | Very low | 63 Ų | 63 | 131.1 Ų | 131.1 | 52% | 0.521 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -78.3 | -26 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D267 | D267-A270 PolarHBondContact O-N 3Å |
| 271 | L | 50.5 | Low | 42.9 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 63% | 0.628 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -82.5 | -34.1 | 178.4 | -94.6 | 162.8 | 0 | 0 | 0 | 113 | R274 | L271-R274 PolarHBondContact O-N 3.09Å |
| 272 | I | 49.1 | Very low | 43 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 67% | 0.667 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -70.5 | -32 | -179.6 | -70.3 | 169.2 | 0 | 0 | 0 | 111.7 | S268 R274 | S268-I272 WeakPolarHBondContact O-CD1 3.38Å; S268-I272 WeakPolarHBondContact O-CG1 3.36Å; I272-R274 PolarHBondContact O-N 3.32Å |
| 273 | S | 46.4 | Very low | 42.1 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -9.7 | 175.2 | -62 | 0 | 0 | 0 | 0 | 114.7 | Q269 | Q269-S273 PolarHBondContact O-OG 3.04Š|
| 274 | R | 47.9 | Very low | 42.2 | Very low | 225 Ų | 225 | 130.9 Ų | 130.9 | 85% | 0.849 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -4.8 | -177.4 | -115.2 | -178.6 | 179.8 | 155.9 | 1.1 | 115 | L271 I272 | L271-R274 PolarHBondContact O-N 3.09Å; I272-R274 PolarHBondContact O-N 3.32Å |
| 275 | L | 39.5 | Very low | 41.9 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -109.7 | 7.7 | -178.2 | -83.7 | 139.6 | 0 | 0 | 0 | 114 | W277 | L275-W277 PolarHBondContact O-N 3.23Å; L275-W277 VanDerWaalsContact O-N 3.09Å |
| 276 | Q | 38 | Very low | 41.2 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | trans | -80.5 | 94.8 | 177 | -159.8 | 170.3 | -14.7 | 0 | 0 | 109.9 | D278 | Q276-D278 PolarHBondContact O-N 3.03Å; Q276-D278 VanDerWaalsContact O-N 3.11Å | ||
| 277 | W | 39 | Very low | 40.4 | Very low | 243 Ų | 243 | 131.7 Ų | 131.7 | 92% | 0.92 | 74% | 0.737 | S | S | * | * | trans | -63.1 | 102.9 | 161.8 | -78.9 | 78.1 | 0 | 0 | 0 | 108.3 | L275 G279 | L275-W277 PolarHBondContact O-N 3.23Å; L275-W277 VanDerWaalsContact O-N 3.09Å; W277-G279 PolarHBondContact O-N 3.03Å | ||
| 278 | D | 31 | Very low | 39.8 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | trans | -79.7 | 104.4 | 164.9 | -172.2 | -1.6 | 0 | 0 | 0 | 108 | Q276 S280 | Q276-D278 PolarHBondContact O-N 3.03Å; Q276-D278 VanDerWaalsContact O-N 3.11Å; D278-S280 PolarHBondContact O-N 3.3Å; D278-S280 PolarHBondContact OD1-OG 3.38Å | ||
| 279 | G | 41.9 | Very low | 39 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -76.5 | 96.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | W277 | W277-G279 PolarHBondContact O-N 3.03Š| ||
| 280 | S | 29.3 | Very low | 38.2 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | -135.4 | 111.1 | 167.6 | -73.4 | 0 | 0 | 0 | 0 | 110 | D278 | D278-S280 PolarHBondContact O-N 3.3Å; D278-S280 PolarHBondContact OD1-OG 3.38Å | ||
| 281 | S | 36.4 | Very low | 37.4 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -67.2 | 161.8 | 165.3 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 282 | D | 38.6 | Very low | 36.6 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | 79.4 | 94.9 | 172.2 | -63.3 | -31.3 | 0 | 0 | 0 | 117.2 | ||||
| 283 | L | 32.3 | Very low | 35.8 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -157.6 | 102.4 | 136.9 | -74.7 | -170.7 | 0 | 0 | 0 | 110.3 | ||||
| 284 | S | 36.9 | Very low | 35.1 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -62.7 | 150.6 | 162.6 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 285 | P | 36 | Very low | 34.3 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -118.7 | 107.6 | 151.6 | 30.7 | -16.7 | 0 | 0 | 0 | 110.5 | ||||
| 286 | S | 33.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -103 | 122.7 | 149.5 | -69.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 287 | D | 30.8 | Very low | 33.6 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | 161.6 | 159.3 | 96.8 | -162.4 | 17.5 | 0 | 0 | 0 | 111.4 | |||||
| 288 | S | 33.1 | Very low | 33.1 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | 99.6 | 88.2 | 154.7 | -63.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 289 | G | 29.2 | Very low | 32.9 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -140.6 | 83.4 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 290 | S | 31.9 | Very low | 32.3 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -86.4 | 137.1 | -177.2 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 291 | S | 34.4 | Very low | 32.4 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -162.6 | 107.7 | 144.3 | -85.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 292 | K | 33.1 | Very low | 32 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | 84.6 | 121.4 | 126.8 | -58.8 | 175.5 | -168.4 | 179 | 0 | 121 | |||||
| 293 | T | 32 | Very low | 31.7 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | 72.1 | 150.1 | 149.9 | 70.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 294 | S | 32.5 | Very low | 31.5 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | cis | -176.6 | 147 | -26.9 | 50.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 295 | E | 30.5 | Very low | 31.1 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | 60.6 | 111 | 155.5 | -79.4 | 171.3 | 128.7 | 0 | 0 | 122.5 | ||||
| 296 | N | 32.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | 63.8 | 116.3 | 112.1 | -138.8 | 27.5 | 0 | 0 | 0 | 121.6 | |||||
| 297 | Q | 32.5 | Very low | 31.3 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 47.8 | 124.8 | 140.4 | -70.2 | 176.2 | 45.4 | 0 | 0 | 121.6 | ||||
| 298 | G | 27.7 | Very low | 31.6 | Very low | 62 Ų | 62 | 127.9 Ų | 127.9 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | trans | 126.7 | 120.8 | 135.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 299 | W | 26.9 | Very low | 31.9 | Very low | 262 Ų | 262 | 131.9 Ų | 131.9 | 99% | 0.992 | 77% | 0.77 | S | S | * | * | trans | 73.6 | 132.9 | 150.3 | -57 | 101.3 | 0 | 0 | 0 | 120 | ||||
| 300 | G | 29.5 | Very low | 32.3 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -75.2 | 175.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 301 | L | 31.6 | Very low | 32.7 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | trans | -170.7 | 148.3 | 142.6 | -97.7 | 150.2 | 0 | 0 | 0 | 108.6 | ||||
| 302 | G | 27.4 | Very low | 32.5 | Very low | 66 Ų | 66 | 141.1 Ų | 141.1 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | -57.1 | 177.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 303 | T | 31.6 | Very low | 33 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | -163.7 | 132.1 | 50.9 | 48.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 304 | N | 28.5 | Very low | 32.9 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | -129.4 | 107.5 | 152.3 | 54.9 | 0.5 | 0 | 0 | 0 | 108 | ||||
| 305 | S | 28.9 | Very low | 33 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -83.4 | 133 | 179.2 | -166.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 306 | S | 38.7 | Very low | 33.2 | Very low | 83 Ų | 83 | 148.2 Ų | 148.2 | 58% | 0.58 | 79% | 0.788 | S | S | * | * | trans | 50.5 | 112.6 | 143.5 | 49.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 307 | E | 33.8 | Very low | 33 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | 75.3 | 131.8 | 83.7 | -77 | 176.7 | 112.8 | 0 | 0 | 112.4 | |||||
| 308 | S | 36.9 | Very low | 33.1 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -173.3 | 133.3 | 46.8 | 22.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 309 | R | 40.6 | Very low | 33.1 | Very low | 190 Ų | 190 | 151.9 Ų | 151.9 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | 53.2 | 137.2 | 85 | -68.7 | -176.5 | 179.5 | -177.6 | 5.5 | 112.9 | |||||
| 310 | K | 37.3 | Very low | 33.2 | Very low | 152 Ų | 152 | 147 Ų | 147 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | cis | -175.7 | 137.1 | 11.1 | -116.2 | 171.9 | -175.5 | 179.7 | 0 | 109.5 | ||||
| 311 | T | 39.7 | Very low | 33.2 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 38.4 | 143.4 | 127.2 | 66 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 312 | K | 31.7 | Very low | 33.1 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | -154.8 | 124.6 | 123.1 | -119.8 | 169.7 | -176.7 | 171.7 | 0 | 112.3 | |||||
| 313 | K | 41.6 | Very low | 33.2 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -93.8 | 152.2 | 166.3 | -99.9 | -179.6 | 174.3 | 173.8 | 0 | 109.4 | ||||
| 314 | K | 30.5 | Very low | 33.2 | Very low | 219 Ų | 219 | 146.1 Ų | 146.1 | 95% | 0.952 | 79% | 0.789 | S | S | * | * | trans | -153.5 | 153 | 140.2 | -131.5 | 179.9 | -179.9 | -176.9 | 0 | 111.8 | ||||
| 315 | K | 35.2 | Very low | 33.3 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | -97.6 | 154.5 | -160.9 | -104.9 | 178.4 | 173.9 | -178.8 | 0 | 114.4 | ||||
| 316 | S | 34.2 | Very low | 33.4 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | 15.1 | 139.3 | 146.1 | 63.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 317 | H | 28.4 | Very low | 33.2 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | trans | -154.3 | 158.3 | 133.5 | -162.5 | -100 | 0 | 0 | 0 | 111.5 | ||||
| 318 | L | 34.3 | Very low | 33.1 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -128.6 | 127.7 | -170.7 | -160.7 | 154.1 | 0 | 0 | 0 | 107.3 | ||||
| 319 | S | 27.1 | Very low | 32.9 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -173.3 | 159 | 160 | 46.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 320 | L | 29.7 | Very low | 32.6 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -108.3 | 165.8 | -156.3 | -169.6 | 78.7 | 0 | 0 | 0 | 112.5 | ||||
| 321 | V | 30.4 | Very low | 32.7 | Very low | 138 Ų | 138 | 145 Ų | 145 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | 79.3 | 135.4 | 164.2 | -163.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 322 | G | 28.5 | Very low | 32.6 | Very low | 57 Ų | 57 | 149 Ų | 149 | 59% | 0.588 | 84% | 0.837 | S | S | * | * | cis | 176.2 | 161.7 | 1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 323 | T | 30.3 | Very low | 33.3 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | 54.9 | 116.2 | 157.8 | 59.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 324 | A | 30.1 | Very low | 33.6 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | 172.8 | 119.6 | 111.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 325 | S | 31.9 | Very low | 34.6 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | 38.8 | 117.6 | 136 | -47.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 326 | G | 31.6 | Very low | 35.8 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -162.7 | 100.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 327 | L | 32.8 | Very low | 37.2 | Very low | 174 Ų | 174 | 144 Ų | 144 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -60.6 | 142.7 | 177.2 | -87.9 | 73.6 | 0 | 0 | 0 | 112.2 | ||||
| 328 | G | 31.8 | Very low | 38.8 | Very low | 78 Ų | 78 | 141.7 Ų | 141.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -171.5 | 82.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 329 | S | 34 | Very low | 40.3 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -66.3 | 129.5 | -179.5 | -53.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 330 | N | 34.7 | Very low | 42.2 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -156 | 138.8 | 143.1 | -105.1 | -39 | 0 | 0 | 0 | 113.3 | ||||
| 331 | K | 37.7 | Very low | 43.9 | Very low | 206 Ų | 206 | 136.9 Ų | 136.9 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 122 | -160.1 | -66 | 167.2 | 174.1 | 173.5 | 0 | 114.2 | ||
| 332 | K | 39.2 | Very low | 45.4 | Very low | 206 Ų | 206 | 136.5 Ų | 136.5 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 127.5 | 157.8 | -83.9 | -175.1 | 175.6 | 179.2 | 0 | 110 | ||
| 333 | K | 45.5 | Very low | 46.8 | Very low | 207 Ų | 207 | 139.6 Ų | 139.6 | 90% | 0.9 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 130.5 | 170.4 | -71.5 | 178.7 | 175.8 | 178.5 | 0 | 109.3 | ||
| 334 | K | 48.7 | Very low | 48.1 | Very low | 203 Ų | 203 | 136.2 Ų | 136.2 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69 | 139.8 | 169.4 | -82 | -177.1 | 173.4 | -177.3 | 0 | 110.2 | ||
| 335 | P | 50.2 | Low | 49.3 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 147.7 | 165.5 | 29.9 | -29.2 | 0 | 0 | 0 | 110.9 | ||
| 336 | K | 60.5 | Low | 50.4 | Low | 198 Ų | 198 | 142.8 Ų | 142.8 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75 | 140.7 | -179.7 | -161.5 | 176.7 | -175.8 | -177.2 | 0 | 109.4 | ||
| 337 | P | 65 | Low | 51.5 | Low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68 | 148.5 | 173.7 | 28.1 | -32.9 | 0 | 0 | 0 | 110.9 | ||
| 338 | P | 61.8 | Low | 52.5 | Low | 129 Ų | 129 | 144.9 Ų | 144.9 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 149.2 | 177.3 | 27.8 | -32.6 | 0 | 0 | 0 | 111.5 | ||
| 339 | A | 64.6 | Low | 53.6 | Low | 88 Ų | 88 | 148.4 Ų | 148.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 149.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 340 | P | 67 | Low | 54.1 | Low | 115 Ų | 115 | 154.3 Ų | 154.3 | 75% | 0.747 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 148.7 | 175.4 | 28.6 | -33.8 | 0 | 0 | 0 | 111.1 | ||
| 341 | P | 66.3 | Low | 55.1 | Low | 125 Ų | 125 | 153.9 Ų | 153.9 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 138.8 | 177 | 27.3 | -32.6 | 0 | 0 | 0 | 110.7 | ||
| 342 | T | 61.5 | Low | 56 | Low | 129 Ų | 129 | 151.2 Ų | 151.2 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 138.5 | 171.1 | 46.5 | 0 | 0 | 0 | 0 | 110.1 | S344 | T342-S344 PolarHBondContact O-N 3.49Š|
| 343 | P | 58.6 | Low | 56.9 | Low | 122 Ų | 122 | 148.1 Ų | 148.1 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137 | 178.9 | 24.8 | -31.6 | 0 | 0 | 0 | 111.3 | ||
| 344 | S | 56.4 | Low | 57.6 | Low | 77 Ų | 77 | 144.6 Ų | 144.6 | 54% | 0.538 | 81% | 0.807 | S | S | . | * | P | Polyproline II helix | trans | -74.1 | 141.4 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 110 | T342 Y346 | T342-S344 PolarHBondContact O-N 3.49Å; S344-Y346 PolarHBondContact O-N 3.34Å |
| 345 | I | 55.6 | Low | 58.2 | Low | 166 Ų | 166 | 141 Ų | 141 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 0.1 | 178.4 | -92.8 | 168.7 | 0 | 0 | 0 | 113.6 | ||
| 346 | Y | 55.9 | Low | 58.7 | Low | 192 Ų | 192 | 142.1 Ų | 142.1 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 4.4 | -177.2 | -98.9 | -85.2 | 0 | 0 | 0 | 115.7 | S344 D348 | S344-Y346 PolarHBondContact O-N 3.34Å; Y346-D348 VanDerWaalsContact C-N 3.33Å; Y346-D348 PolarHBondContact O-N 3.11Å |
| 347 | D | 53.7 | Low | 58.6 | Low | 135 Ų | 135 | 138.1 Ų | 138.1 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 3.8 | 179.7 | -78.3 | -58.3 | 0 | 0 | 0 | 114.8 | ||
| 348 | D | 54.3 | Low | 58.1 | Low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 26.7 | -177.7 | -99.5 | -47 | 0 | 0 | 0 | 114.6 | Y346 | Y346-D348 VanDerWaalsContact C-N 3.33Å; Y346-D348 PolarHBondContact O-N 3.11Å |
| 349 | I | 54.3 | Low | 57.7 | Low | 151 Ų | 151 | 141.2 Ų | 141.2 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | trans | -133.9 | 78.3 | 167.3 | -53.1 | 174.8 | 0 | 0 | 0 | 109.4 | ||||
| 350 | N | 44.7 | Very low | 57.1 | Low | 234 Ų | 234 | 146 Ų | 146 | 100% | 1.251 | 81% | 0.808 | S | S | * | * | trans | -160.1 | 0 | 140.2 | -154.8 | 31.3 | 0 | 0 | 0 | 111.6 |
Retrieved 350 of 350 residues in 366.4 ms
(Link to these results)