| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.2 | Very low | 46.5 | Very low | 242 Ų | 242 | 163.4 Ų | 163.4 | 100% | 1.192 | 83% | 0.825 | S | S | * | * | 0 | 125.5 | 0 | -73.6 | -178.1 | 170.6 | 0 | 0 | 107.4 | |||||
| 2 | P | 45.8 | Very low | 45.9 | Very low | 109 Ų | 109 | 162.3 Ų | 162.3 | 71% | 0.708 | 82% | 0.823 | S | S | * | * | trans | -91.6 | 131.8 | 179.8 | 34.7 | -25.7 | 0 | 0 | 0 | 109.4 | ||||
| 3 | E | 45.2 | Very low | 45.7 | Very low | 153 Ų | 153 | 161.3 Ų | 161.3 | 72% | 0.715 | 82% | 0.821 | S | S | * | * | trans | -162.9 | 66.9 | 163.4 | -72 | -50.5 | 146.8 | 0 | 0 | 107 | ||||
| 4 | L | 51.8 | Low | 45.6 | Very low | 180 Ų | 180 | 161.6 Ų | 161.6 | 94% | 0.942 | 82% | 0.818 | S | S | * | * | trans | -113.2 | 81.4 | 160.5 | -123.3 | 82 | 0 | 0 | 0 | 106.1 | ||||
| 5 | E | 51.1 | Low | 45.6 | Very low | 145 Ų | 145 | 158.7 Ų | 158.7 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -58.2 | 132 | 177.4 | -72.3 | 166.2 | 102.2 | 0 | 0 | 110.6 | F7 | E5-F7 WeakPolarHBondContact O-CD2 3.29Å; E5-F7 PolarHBondContact O-N 2.91Å | ||
| 6 | D | 49.5 | Very low | 46 | Very low | 157 Ų | 157 | 154.6 Ų | 154.6 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -53.2 | 105.1 | 170.9 | -156.8 | 5.4 | 0 | 0 | 0 | 110.2 | ||||
| 7 | F | 46.4 | Very low | 46.5 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 116.4 | 168.9 | -80.8 | -83 | 0 | 0 | 0 | 109 | E5 | E5-F7 WeakPolarHBondContact O-CD2 3.29Å; E5-F7 PolarHBondContact O-N 2.91Å |
| 8 | P | 55.1 | Low | 47 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 156 | 176.7 | 28.4 | -32.7 | 0 | 0 | 0 | 110.7 | M10 | P8-M10 PolarHBondContact O-N 3.12Š|
| 9 | P | 47.1 | Very low | 47.6 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128.3 | -178.9 | 24.7 | -32.6 | 0 | 0 | 0 | 110.6 | R11 | P9-R11 PolarHBondContact O-N 3.04Š|
| 10 | M | 40.9 | Very low | 48.1 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | trans | -51.1 | 106.8 | 165.1 | -89.9 | -111.7 | -105.3 | 0 | 0 | 108.3 | P8 D12 | P8-M10 PolarHBondContact O-N 3.12Å; M10-D12 PolarHBondContact O-N 2.83Å | ||
| 11 | R | 43.8 | Very low | 48.6 | Very low | 220 Ų | 220 | 138.6 Ų | 138.6 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | -71.1 | 114.8 | 166.5 | -171.6 | 157.4 | 159.9 | 145.3 | -9 | 105.2 | P9 D13 | P9-R11 PolarHBondContact O-N 3.04Å; R11-D13 VanDerWaalsContact C-N 3.29Å; R11-D13 PolarHBondContact O-N 3.44Å | ||
| 12 | D | 39.4 | Very low | 49.7 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | -51 | 95.3 | 170.9 | -74.8 | -55.7 | 0 | 0 | 0 | 109.1 | M10 Q14 | M10-D12 PolarHBondContact O-N 2.83Å; D12-Q14 PolarHBondContact O-N 3.43Å | ||
| 13 | D | 43 | Very low | 50.4 | Low | 150 Ų | 150 | 132 Ų | 132 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | trans | -74 | 73.2 | 162.9 | -83.4 | -34.7 | 0 | 0 | 0 | 107.1 | R11 P15 | R11-D13 VanDerWaalsContact C-N 3.29Å; R11-D13 PolarHBondContact O-N 3.44Å; D13-P15 WeakPolarHBondContact O-CD 3.12Å | ||
| 14 | Q | 44.3 | Very low | 51 | Low | 166 Ų | 166 | 130.9 Ų | 130.9 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -60.3 | 120.5 | 163.6 | -167.1 | 148.4 | 23 | 0 | 0 | 107 | D12 A16 | D12-Q14 PolarHBondContact O-N 3.43Å; Q14-A16 PolarHBondContact O-N 3.05Å | ||
| 15 | P | 45.8 | Very low | 51.2 | Low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 69% | 0.691 | S | S | * | * | trans | -61.4 | 107.4 | 173.1 | 23 | -29.4 | 0 | 0 | 0 | 106.7 | D13 G17 | D13-P15 WeakPolarHBondContact O-CD 3.12Å; P15-G17 PolarHBondContact O-N 3.34Å | ||
| 16 | A | 51.1 | Low | 51.5 | Low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | trans | -50.8 | 111.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | Q14 | Q14-A16 PolarHBondContact O-N 3.05Š| ||
| 17 | G | 55 | Low | 51.9 | Low | 52 Ų | 52 | 123.1 Ų | 123.1 | 54% | 0.536 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -51.7 | 148.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P15 D19 | P15-G17 PolarHBondContact O-N 3.34Å; G17-D19 PolarHBondContact O-N 2.88Å |
| 18 | P | 54.9 | Low | 52.2 | Low | 96 Ų | 96 | 119.5 Ų | 119.5 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 122.2 | -175.4 | 23.7 | -33.1 | 0 | 0 | 0 | 109.1 | P20 I23 | P18-P20 VanDerWaalsContact O-N 3.11Å; P18-I23 HydrophobicContact CB-CD1 3.8Å; P18-I23 HydrophobicContact CB-CG1 4.34Å; P18-I23 HydrophobicContact CG-CD1 3.83Å |
| 19 | D | 58.6 | Low | 52.1 | Low | 98 Ų | 98 | 120.1 Ų | 120.1 | 52% | 0.524 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -50.9 | 120.6 | -176.2 | -78.3 | -45.2 | 0 | 0 | 0 | 108.8 | G17 D21 Q22 I23 | G17-D19 PolarHBondContact O-N 2.88Å; D19-D21 PolarHBondContact O-N 3.01Å; D19-Q22 HydrophobicContact CB-CB 4.12Å; D19-Q22 WeakPolarHBondContact O-CB 3.41Å; D19-Q22 PolarHBondContact O-N 3.42Å; D19-I23 PolarHBondContact O-N 3.01Å |
| 20 | P | 57.8 | Low | 52.1 | Low | 90 Ų | 90 | 120 Ų | 120 | 58% | 0.584 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -57.9 | -26 | -178.5 | 21.4 | -31.5 | 0 | 0 | 0 | 111.3 | P18 Q24 | P18-P20 VanDerWaalsContact O-N 3.11Å; P20-Q24 WeakPolarHBondContact O-CB 3.37Å; P20-Q24 PolarHBondContact O-N 3.29Å |
| 21 | D | 58.3 | Low | 52 | Low | 101 Ų | 101 | 116.4 Ų | 116.4 | 54% | 0.54 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.7 | -31.4 | 174.9 | -60.3 | -21.7 | 0 | 0 | 0 | 113.1 | D19 R25 | D19-D21 PolarHBondContact O-N 3.01Å; D21-R25 WeakPolarHBondContact O-CB 3.34Å; D21-R25 VanDerWaalsContact O-CG 3.24Å; D21-R25 WeakPolarHBondContact O-CG 3.44Å; D21-R25 PolarHBondContact O-N 3.26Å |
| 22 | Q | 59.1 | Low | 52.3 | Low | 132 Ų | 132 | 109.8 Ų | 109.8 | 62% | 0.617 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -79.6 | -37.7 | 178.6 | -158.9 | 176.4 | 69 | 0 | 0 | 110.9 | D19 R25 S26 | D19-Q22 HydrophobicContact CB-CB 4.12Å; D19-Q22 WeakPolarHBondContact O-CB 3.41Å; D19-Q22 PolarHBondContact O-N 3.42Å; Q22-R25 PolarHBondContact O-N 3.1Å; Q22-S26 PolarHBondContact O-N 3.14Å |
| 23 | I | 59.2 | Low | 52.4 | Low | 82 Ų | 82 | 109.7 Ų | 109.7 | 42% | 0.421 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.6 | -40.7 | 171.2 | -63.2 | 166.1 | 0 | 0 | 0 | 110.4 | P18 D19 R25 S26 I27 | P18-I23 HydrophobicContact CB-CD1 3.8Å; P18-I23 HydrophobicContact CB-CG1 4.34Å; P18-I23 HydrophobicContact CG-CD1 3.83Å; D19-I23 PolarHBondContact O-N 3.01Å; I23-R25 VanDerWaalsContact C-N 3.3Å; I23-R25 PolarHBondContact O-N 3.2Å; I23-S26 PolarHBondContact O-N 2.89Å; I23-I27 HydrophobicContact CG2-CG1 4.25Å; I23-I27 WeakPolarHBondContact O-CB 3.34Å; I23-I27 WeakPolarHBondContact O-CG1 3.43Å; I23-I27 PolarHBondContact O-N 2.85Å |
| 24 | Q | 57.8 | Low | 52.4 | Low | 128 Ų | 128 | 109 Ų | 109 | 60% | 0.598 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.2 | -31.7 | 177.4 | -165.2 | 173.6 | -30.8 | 0 | 0 | 111.8 | P20 L28 | P20-Q24 WeakPolarHBondContact O-CB 3.37Å; P20-Q24 PolarHBondContact O-N 3.29Å; Q24-L28 WeakPolarHBondContact O-CB 3.33Å; Q24-L28 WeakPolarHBondContact O-CD1 3.23Å; Q24-L28 PolarHBondContact O-N 3.38Å |
| 25 | R | 57.5 | Low | 52.4 | Low | 174 Ų | 174 | 109.1 Ų | 109.1 | 66% | 0.657 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.1 | -43.3 | 170.6 | -79 | 176.3 | -162.1 | 158 | 9.4 | 112.6 | D21 Q22 I23 L28 D29 | D21-R25 WeakPolarHBondContact O-CB 3.34Å; D21-R25 VanDerWaalsContact O-CG 3.24Å; D21-R25 WeakPolarHBondContact O-CG 3.44Å; D21-R25 PolarHBondContact O-N 3.26Å; Q22-R25 PolarHBondContact O-N 3.1Å; I23-R25 VanDerWaalsContact C-N 3.3Å; I23-R25 PolarHBondContact O-N 3.2Å; R25-L28 WeakPolarHBondContact O-CB 3.26Å; R25-L28 PolarHBondContact O-N 2.64Å; R25-D29 PolarHBondContact O-N 2.81Å |
| 26 | S | 56.2 | Low | 52.3 | Low | 58 Ų | 58 | 111.6 Ų | 111.6 | 41% | 0.406 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.4 | -37.8 | 178.9 | 100.2 | 0 | 0 | 0 | 0 | 111.9 | Q22 I23 L28 D29 E30 | Q22-S26 PolarHBondContact O-N 3.14Å; I23-S26 PolarHBondContact O-N 2.89Å; S26-L28 VanDerWaalsContact C-N 3.3Å; S26-L28 PolarHBondContact O-N 3.28Å; S26-D29 PolarHBondContact O-N 3.49Å; S26-E30 WeakPolarHBondContact O-CB 3.25Å; S26-E30 PolarHBondContact O-N 3.38Å |
| 27 | I | 57.6 | Low | 51.6 | Low | 88 Ų | 88 | 114.7 Ų | 114.7 | 45% | 0.451 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.9 | -32.4 | 173 | -68.3 | -77.7 | 0 | 0 | 0 | 111.3 | I23 Q31 | I23-I27 HydrophobicContact CG2-CG1 4.25Å; I23-I27 WeakPolarHBondContact O-CB 3.34Å; I23-I27 WeakPolarHBondContact O-CG1 3.43Å; I23-I27 PolarHBondContact O-N 2.85Å; I27-Q31 VanDerWaalsContact O-CB 3.23Å; I27-Q31 WeakPolarHBondContact O-CB 3.38Å; I27-Q31 VanDerWaalsContact O-CG 3.32Å; I27-Q31 WeakPolarHBondContact O-CG 3.37Å; I27-Q31 PolarHBondContact O-N 3.36Å; I27-Q31 VanDerWaalsContact O-N 3.09Å |
| 28 | L | 53.5 | Low | 51.1 | Low | 105 Ų | 105 | 121.5 Ų | 121.5 | 55% | 0.55 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.3 | -43.7 | 171.7 | -112.8 | 68.5 | 0 | 0 | 0 | 111.6 | Q24 R25 S26 Q31 V32 | Q24-L28 WeakPolarHBondContact O-CB 3.33Å; Q24-L28 WeakPolarHBondContact O-CD1 3.23Å; Q24-L28 PolarHBondContact O-N 3.38Å; R25-L28 WeakPolarHBondContact O-CB 3.26Å; R25-L28 PolarHBondContact O-N 2.64Å; S26-L28 VanDerWaalsContact C-N 3.3Å; S26-L28 PolarHBondContact O-N 3.28Å; L28-Q31 PolarHBondContact O-N 2.89Å; L28-V32 WeakPolarHBondContact O-CB 3.35Å; L28-V32 WeakPolarHBondContact O-CG2 3.36Å; L28-V32 PolarHBondContact O-N 2.91Å |
| 29 | D | 52.2 | Low | 50.6 | Low | 116 Ų | 116 | 121.3 Ų | 121.3 | 62% | 0.62 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.4 | -44.3 | 178.2 | -97.2 | -8.8 | 0 | 0 | 0 | 111.5 | R25 S26 Q31 V32 E33 | R25-D29 PolarHBondContact O-N 2.81Å; S26-D29 PolarHBondContact O-N 3.49Å; D29-Q31 VanDerWaalsContact C-N 3.35Å; D29-Q31 PolarHBondContact O-N 3.38Å; D29-V32 PolarHBondContact O-N 3.28Å; D29-E33 PolarHBondContact O-N 2.77Å |
| 30 | E | 47.3 | Very low | 50 | Low | 122 Ų | 122 | 118.3 Ų | 118.3 | 57% | 0.57 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.7 | -29.9 | 177.5 | -77.2 | 177.4 | 134.6 | 0 | 0 | 112.8 | S26 L34 | S26-E30 WeakPolarHBondContact O-CB 3.25Å; S26-E30 PolarHBondContact O-N 3.38Å; E30-L34 WeakPolarHBondContact O-CD1 3.39Å |
| 31 | Q | 40.4 | Very low | 49.4 | Very low | 106 Ų | 106 | 116.9 Ų | 116.9 | 50% | 0.495 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -82.8 | -15.4 | 173.3 | -77 | -120 | 26.7 | 0 | 0 | 114 | I27 L28 D29 W35 | I27-Q31 VanDerWaalsContact O-CB 3.23Å; I27-Q31 WeakPolarHBondContact O-CB 3.38Å; I27-Q31 VanDerWaalsContact O-CG 3.32Å; I27-Q31 WeakPolarHBondContact O-CG 3.37Å; I27-Q31 PolarHBondContact O-N 3.36Å; I27-Q31 VanDerWaalsContact O-N 3.09Å; L28-Q31 PolarHBondContact O-N 2.89Å; D29-Q31 VanDerWaalsContact C-N 3.35Å; D29-Q31 PolarHBondContact O-N 3.38Å; Q31-W35 WeakPolarHBondContact O-CB 3.25Å; Q31-W35 PolarHBondContact O-N 2.69Å |
| 32 | V | 49 | Very low | 48.8 | Very low | 81 Ų | 81 | 117.3 Ų | 117.3 | 49% | 0.491 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -79.8 | -36.1 | 175.3 | 164.5 | 0 | 0 | 0 | 0 | 110.7 | L28 D29 | L28-V32 WeakPolarHBondContact O-CB 3.35Å; L28-V32 WeakPolarHBondContact O-CG2 3.36Å; L28-V32 PolarHBondContact O-N 2.91Å; D29-V32 PolarHBondContact O-N 3.28Å |
| 33 | E | 42.8 | Very low | 48.4 | Very low | 149 Ų | 149 | 115.3 Ų | 115.3 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.7 | -31.1 | 175.9 | -68.9 | -169 | 150.8 | 0 | 0 | 113.2 | D29 | D29-E33 PolarHBondContact O-N 2.77Å |
| 34 | L | 42 | Very low | 47.9 | Very low | 136 Ų | 136 | 116.7 Ų | 116.7 | 71% | 0.712 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -87.8 | -25.7 | 178 | -82.2 | 97.4 | 0 | 0 | 0 | 115 | E30 | E30-L34 WeakPolarHBondContact O-CD1 3.39Å |
| 35 | W | 44.2 | Very low | 47.4 | Very low | 168 Ų | 168 | 115.8 Ų | 115.8 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -83.4 | -22.6 | -176.9 | -158.2 | 84.1 | 0 | 0 | 0 | 113.3 | Q31 F37 | Q31-W35 WeakPolarHBondContact O-CB 3.25Å; Q31-W35 PolarHBondContact O-N 2.69Å; W35-F37 PolarHBondContact O-N 3.41Å |
| 36 | W | 43.7 | Very low | 47.2 | Very low | 170 Ų | 170 | 110.5 Ų | 110.5 | 64% | 0.644 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -14 | 172.2 | -161.3 | 84.3 | 0 | 0 | 0 | 113 | P40 | W36-P40 HydrophobicContact CD2-CB 4.19Å; W36-P40 HydrophobicContact CE3-CB 4.07Å; W36-P40 HydrophobicContact CE3-CG 4.21Å; W36-P40 HydrophobicContact CH2-CB 4.01Å; W36-P40 HydrophobicContact CZ2-CB 4.12Å; W36-P40 HydrophobicContact CZ3-CB 3.98Å; W36-P40 HydrophobicContact CZ3-CG 4.16Å; W36-P40 WeakPolarHBondContact O-CB 3.45Å; W36-P40 VanDerWaalsContact O-CD 3.23Å; W36-P40 WeakPolarHBondContact O-CD 3.24Å; W36-P40 WeakPolarHBondContact O-CG 3.19Å |
| 37 | F | 37.5 | Very low | 47 | Very low | 157 Ų | 157 | 113.7 Ų | 113.7 | 69% | 0.689 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -9.7 | -175.6 | -95.8 | -78.5 | 0 | 0 | 0 | 116.2 | W35 D39 P40 | W35-F37 PolarHBondContact O-N 3.41Å; F37-D39 PolarHBondContact O-N 2.81Å; F37-P40 WeakPolarHBondContact O-CD 3.48Å |
| 38 | R | 43.1 | Very low | 46.6 | Very low | 195 Ų | 195 | 111.3 Ų | 111.3 | 74% | 0.736 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -73.4 | -26.6 | -171 | -156.2 | 87.6 | 77.2 | 151.5 | 5.8 | 113.6 | ||
| 39 | D | 45.1 | Very low | 46.5 | Very low | 92 Ų | 92 | 110 Ų | 110 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -165.3 | 44.9 | 170.2 | -97.5 | -36.7 | 0 | 0 | 0 | 115 | F37 A41 K42 | F37-D39 PolarHBondContact O-N 2.81Å; D39-A41 PolarHBondContact O-N 3.28Å; D39-K42 PolarHBondContact O-N 3.5Å; D39-K42 IonicContact OD1-NZ 2.69Å; D39-K42 PolarHBondContact OD1-NZ 2.95Å; D39-K42 IonicContact OD2-NZ 2.77Å; D39-K42 PolarHBondContact OD2-NZ 3.46Å |
| 40 | P | 45.2 | Very low | 46.7 | Very low | 34 Ų | 34 | 105.9 Ų | 105.9 | 22% | 0.221 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -63.1 | -29.3 | -178.4 | 28.3 | -34.1 | 0 | 0 | 0 | 111.9 | W36 F37 K42 L44 | W36-P40 HydrophobicContact CD2-CB 4.19Å; W36-P40 HydrophobicContact CE3-CB 4.07Å; W36-P40 HydrophobicContact CE3-CG 4.21Å; W36-P40 HydrophobicContact CH2-CB 4.01Å; W36-P40 HydrophobicContact CZ2-CB 4.12Å; W36-P40 HydrophobicContact CZ3-CB 3.98Å; W36-P40 HydrophobicContact CZ3-CG 4.16Å; W36-P40 WeakPolarHBondContact O-CB 3.45Å; W36-P40 VanDerWaalsContact O-CD 3.23Å; W36-P40 WeakPolarHBondContact O-CD 3.24Å; W36-P40 WeakPolarHBondContact O-CG 3.19Å; F37-P40 WeakPolarHBondContact O-CD 3.48Å; P40-K42 VanDerWaalsContact C-N 3.34Å; P40-K42 PolarHBondContact O-N 3.28Å; P40-L44 WeakPolarHBondContact O-CB 3.32Å; P40-L44 PolarHBondContact O-N 3.37Å |
| 41 | A | 45.7 | Very low | 46.9 | Very low | 60 Ų | 60 | 102.2 Ų | 102.2 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | D39 L45 | D39-A41 PolarHBondContact O-N 3.28Å; A41-L45 WeakPolarHBondContact O-CB 3.28Å; A41-L45 WeakPolarHBondContact O-CD1 3.44Å; A41-L45 WeakPolarHBondContact O-CG 3.33Å; A41-L45 PolarHBondContact O-N 2.88Å |
| 42 | K | 46.8 | Very low | 47.6 | Very low | 111 Ų | 111 | 102.9 Ų | 102.9 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.2 | -42.2 | -177.7 | -64 | -166.5 | -177.2 | 89.8 | 0 | 111.9 | D39 P40 C46 | D39-K42 PolarHBondContact O-N 3.5Å; D39-K42 IonicContact OD1-NZ 2.69Å; D39-K42 PolarHBondContact OD1-NZ 2.95Å; D39-K42 IonicContact OD2-NZ 2.77Å; D39-K42 PolarHBondContact OD2-NZ 3.46Å; P40-K42 VanDerWaalsContact C-N 3.34Å; P40-K42 PolarHBondContact O-N 3.28Å; K42-C46 WeakPolarHBondContact O-CB 3.41Å; K42-C46 PolarHBondContact O-N 3.27Å |
| 43 | S | 49.7 | Very low | 47.8 | Very low | 89 Ų | 89 | 103.4 Ų | 103.4 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.2 | -42.7 | 177.1 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | L45 C46 Y47 | S43-L45 PolarHBondContact O-N 2.91Å; S43-C46 PolarHBondContact O-N 3.26Å; S43-Y47 WeakPolarHBondContact O-CB 3.36Å; S43-Y47 PolarHBondContact O-N 2.83Å |
| 44 | L | 49.5 | Very low | 48.6 | Very low | 111 Ų | 111 | 98.2 Ų | 98.2 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.4 | -36.5 | 177.7 | -161.5 | 119.2 | 0 | 0 | 0 | 112.2 | P40 A48 | P40-L44 WeakPolarHBondContact O-CB 3.32Å; P40-L44 PolarHBondContact O-N 3.37Å; L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 3.41Å |
| 45 | L | 46.4 | Very low | 49.3 | Very low | 110 Ų | 110 | 96.3 Ų | 96.3 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.1 | -42.2 | 173 | -76.5 | 169.1 | 0 | 0 | 0 | 111.7 | A41 S43 Y47 A48 V49 | A41-L45 WeakPolarHBondContact O-CB 3.28Å; A41-L45 WeakPolarHBondContact O-CD1 3.44Å; A41-L45 WeakPolarHBondContact O-CG 3.33Å; A41-L45 PolarHBondContact O-N 2.88Å; S43-L45 PolarHBondContact O-N 2.91Å; L45-Y47 VanDerWaalsContact C-N 3.34Å; L45-Y47 PolarHBondContact O-N 3.41Å; L45-A48 PolarHBondContact O-N 3.22Å; L45-V49 VanDerWaalsContact O-CB 3.3Å; L45-V49 WeakPolarHBondContact O-CB 3.2Å; L45-V49 WeakPolarHBondContact O-CG2 3.28Å; L45-V49 PolarHBondContact O-N 3.21Å |
| 46 | C | 53.7 | Low | 49.8 | Very low | 63 Ų | 63 | 90.4 Ų | 90.4 | 43% | 0.426 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.7 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | K42 S43 V49 A50 | K42-C46 WeakPolarHBondContact O-CB 3.41Å; K42-C46 PolarHBondContact O-N 3.27Å; S43-C46 PolarHBondContact O-N 3.26Å; C46-V49 PolarHBondContact O-N 3.23Å; C46-A50 WeakPolarHBondContact O-CB 3.43Å; C46-A50 PolarHBondContact O-N 3.2Å |
| 47 | Y | 52 | Low | 50.4 | Low | 125 Ų | 125 | 85 Ų | 85 | 49% | 0.49 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 175 | -178.4 | -101.2 | 0 | 0 | 0 | 112.1 | S43 L45 V49 A50 V51 | S43-Y47 WeakPolarHBondContact O-CB 3.36Å; S43-Y47 PolarHBondContact O-N 2.83Å; L45-Y47 VanDerWaalsContact C-N 3.34Å; L45-Y47 PolarHBondContact O-N 3.41Å; Y47-V49 PolarHBondContact O-N 3.45Å; Y47-A50 PolarHBondContact O-N 3.25Å; Y47-V51 HydrophobicContact CD1-CG2 4.27Å; Y47-V51 HydrophobicContact CE1-CG2 3.91Å; Y47-V51 HydrophobicContact CE2-CG2 4.28Å; Y47-V51 WeakPolarHBondContact O-CB 3.36Å; Y47-V51 VanDerWaalsContact O-CG2 3.29Å; Y47-V51 WeakPolarHBondContact O-CG2 3.23Å; Y47-V51 PolarHBondContact O-N 2.82Å |
| 48 | A | 49.5 | Very low | 51.3 | Low | 38 Ų | 38 | 78.3 Ų | 78.3 | 31% | 0.314 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L44 L45 V51 L52 | L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 3.41Å; L45-A48 PolarHBondContact O-N 3.22Å; A48-V51 PolarHBondContact O-N 3.4Å; A48-L52 WeakPolarHBondContact O-CB 3.23Å; A48-L52 VanDerWaalsContact O-CG 3.31Å; A48-L52 WeakPolarHBondContact O-CG 3.05Å; A48-L52 PolarHBondContact O-N 3.49Å |
| 49 | V | 51 | Low | 51.8 | Low | 77 Ų | 77 | 74.2 Ų | 74.2 | 47% | 0.467 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 175.6 | 170 | 0 | 0 | 0 | 0 | 110.7 | L45 C46 Y47 L52 L53 | L45-V49 VanDerWaalsContact O-CB 3.3Å; L45-V49 WeakPolarHBondContact O-CB 3.2Å; L45-V49 WeakPolarHBondContact O-CG2 3.28Å; L45-V49 PolarHBondContact O-N 3.21Å; C46-V49 PolarHBondContact O-N 3.23Å; Y47-V49 PolarHBondContact O-N 3.45Å; V49-L52 PolarHBondContact O-N 3.41Å; V49-L53 HydrophobicContact CG1-CD1 3.85Å; V49-L53 HydrophobicContact CG1-CG 4.35Å; V49-L53 WeakPolarHBondContact O-CB 3.19Å; V49-L53 VanDerWaalsContact O-CG 3.25Å; V49-L53 WeakPolarHBondContact O-CG 3.45Å; V49-L53 PolarHBondContact O-N 2.97Å |
| 50 | A | 55.2 | Low | 52.3 | Low | 30 Ų | 30 | 71.3 Ų | 71.3 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C46 Y47 L53 I54 | C46-A50 WeakPolarHBondContact O-CB 3.43Å; C46-A50 PolarHBondContact O-N 3.2Å; Y47-A50 PolarHBondContact O-N 3.25Å; A50-L53 PolarHBondContact O-N 3.42Å; A50-I54 WeakPolarHBondContact O-CB 3.44Å; A50-I54 WeakPolarHBondContact O-CD1 3.2Å; A50-I54 WeakPolarHBondContact O-CG1 3.49Å; A50-I54 PolarHBondContact O-N 3.09Å |
| 51 | V | 52.4 | Low | 53 | Low | 44 Ų | 44 | 69.8 Ų | 69.8 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 177 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | Y47 A48 I54 L55 | Y47-V51 HydrophobicContact CD1-CG2 4.27Å; Y47-V51 HydrophobicContact CE1-CG2 3.91Å; Y47-V51 HydrophobicContact CE2-CG2 4.28Å; Y47-V51 WeakPolarHBondContact O-CB 3.36Å; Y47-V51 VanDerWaalsContact O-CG2 3.29Å; Y47-V51 WeakPolarHBondContact O-CG2 3.23Å; Y47-V51 PolarHBondContact O-N 2.82Å; A48-V51 PolarHBondContact O-N 3.4Å; V51-I54 PolarHBondContact O-N 2.87Å; V51-L55 HydrophobicContact CG1-CD1 4.03Å; V51-L55 WeakPolarHBondContact O-CB 3.47Å; V51-L55 PolarHBondContact O-N 3.19Å |
| 52 | L | 54.2 | Low | 53.4 | Low | 121 Ų | 121 | 71.9 Ų | 71.9 | 63% | 0.634 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.2 | -39.4 | 177.4 | -78.1 | 170.5 | 0 | 0 | 0 | 112.5 | A48 V49 L55 G56 | A48-L52 WeakPolarHBondContact O-CB 3.23Å; A48-L52 VanDerWaalsContact O-CG 3.31Å; A48-L52 WeakPolarHBondContact O-CG 3.05Å; A48-L52 PolarHBondContact O-N 3.49Å; V49-L52 PolarHBondContact O-N 3.41Å; L52-L55 PolarHBondContact O-N 2.96Å; L52-G56 PolarHBondContact O-N 3.29Å |
| 53 | L | 54.2 | Low | 53.9 | Low | 91 Ų | 91 | 72.1 Ų | 72.1 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 176.1 | -74.6 | 171 | 0 | 0 | 0 | 111.6 | V49 A50 C57 | V49-L53 HydrophobicContact CG1-CD1 3.85Å; V49-L53 HydrophobicContact CG1-CG 4.35Å; V49-L53 WeakPolarHBondContact O-CB 3.19Å; V49-L53 VanDerWaalsContact O-CG 3.25Å; V49-L53 WeakPolarHBondContact O-CG 3.45Å; V49-L53 PolarHBondContact O-N 2.97Å; A50-L53 PolarHBondContact O-N 3.42Å; L53-C57 WeakPolarHBondContact O-CB 3.33Å; L53-C57 PolarHBondContact O-N 3.42Å |
| 54 | I | 60 | Low | 54.1 | Low | 40 Ų | 40 | 69.7 Ų | 69.7 | 21% | 0.205 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 176.6 | -66.6 | 164.3 | 0 | 0 | 0 | 110.7 | A50 V51 G58 L92 | A50-I54 WeakPolarHBondContact O-CB 3.44Å; A50-I54 WeakPolarHBondContact O-CD1 3.2Å; A50-I54 WeakPolarHBondContact O-CG1 3.49Å; A50-I54 PolarHBondContact O-N 3.09Å; V51-I54 PolarHBondContact O-N 2.87Å; I54-G58 PolarHBondContact O-N 2.91Å; I54-L92 HydrophobicContact CD1-CD1 3.74Å; I54-L92 HydrophobicContact CG2-CD1 4.3Å; I54-L92 HydrophobicContact CG2-CD2 4.32Å |
| 55 | L | 55.8 | Low | 54.4 | Low | 97 Ų | 97 | 68.2 Ų | 68.2 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 175.8 | -99.8 | 157.8 | 0 | 0 | 0 | 112.1 | V51 L52 G58 L59 | V51-L55 HydrophobicContact CG1-CD1 4.03Å; V51-L55 WeakPolarHBondContact O-CB 3.47Å; V51-L55 PolarHBondContact O-N 3.19Å; L52-L55 PolarHBondContact O-N 2.96Å; L55-G58 PolarHBondContact O-N 3.47Å; L55-L59 HydrophobicContact CD2-CD1 4.12Å; L55-L59 WeakPolarHBondContact O-CB 3.34Å; L55-L59 WeakPolarHBondContact O-CG 3.43Å; L55-L59 PolarHBondContact O-N 3.32Å |
| 56 | G | 55 | Low | 54.6 | Low | 43 Ų | 43 | 66.6 Ų | 66.6 | 44% | 0.443 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L52 G60 | L52-G56 PolarHBondContact O-N 3.29Å; G56-G60 PolarHBondContact O-N 2.79Å |
| 57 | C | 55.9 | Low | 54.6 | Low | 56 Ų | 56 | 67.7 Ų | 67.7 | 38% | 0.378 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.7 | -38 | 175.6 | -166.5 | 0 | 0 | 0 | 0 | 111.9 | L53 G61 | L53-C57 WeakPolarHBondContact O-CB 3.33Å; L53-C57 PolarHBondContact O-N 3.42Å; C57-G61 PolarHBondContact O-N 2.86Å |
| 58 | G | 56.5 | Low | 54.6 | Low | 17 Ų | 17 | 65.4 Ų | 65.4 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.1 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I54 L55 G61 I62 | I54-G58 PolarHBondContact O-N 2.91Å; L55-G58 PolarHBondContact O-N 3.47Å; G58-G61 PolarHBondContact O-N 2.94Å; G58-I62 WeakPolarHBondContact O-CD1 3.3Å; G58-I62 VanDerWaalsContact O-CG1 3.29Å; G58-I62 WeakPolarHBondContact O-CG1 3.16Å; G58-I62 PolarHBondContact O-N 3.45Å |
| 59 | L | 53.2 | Low | 54.4 | Low | 109 Ų | 109 | 68.7 Ų | 68.7 | 57% | 0.571 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 176.8 | -78.7 | 158.5 | 0 | 0 | 0 | 111.9 | L55 G61 I62 L63 | L55-L59 HydrophobicContact CD2-CD1 4.12Å; L55-L59 WeakPolarHBondContact O-CB 3.34Å; L55-L59 WeakPolarHBondContact O-CG 3.43Å; L55-L59 PolarHBondContact O-N 3.32Å; L59-G61 VanDerWaalsContact C-N 3.3Å; L59-G61 PolarHBondContact O-N 2.92Å; L59-I62 PolarHBondContact O-N 2.89Å; L59-L63 WeakPolarHBondContact O-CB 3.17Å; L59-L63 PolarHBondContact O-N 3.03Å |
| 60 | G | 57.1 | Low | 54 | Low | 31 Ų | 31 | 69.8 Ų | 69.8 | 32% | 0.32 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | G56 L63 L64 | G56-G60 PolarHBondContact O-N 2.79Å; G60-L63 PolarHBondContact O-N 2.86Å; G60-L64 WeakPolarHBondContact O-CB 3.39Å; G60-L64 VanDerWaalsContact O-CG 3.27Å; G60-L64 WeakPolarHBondContact O-CG 3.42Å; G60-L64 PolarHBondContact O-N 3.03Å |
| 61 | G | 58.5 | Low | 53.7 | Low | 2 Ų | 2 | 77.4 Ų | 77.4 | 2% | 0.021 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C57 G58 L59 L64 L65 | C57-G61 PolarHBondContact O-N 2.86Å; G58-G61 PolarHBondContact O-N 2.94Å; L59-G61 VanDerWaalsContact C-N 3.3Å; L59-G61 PolarHBondContact O-N 2.92Å; G61-L64 PolarHBondContact O-N 3.05Å; G61-L65 WeakPolarHBondContact O-CB 3.17Å; G61-L65 VanDerWaalsContact O-CG 3.26Å; G61-L65 WeakPolarHBondContact O-CG 3.07Å; G61-L65 PolarHBondContact O-N 3.04Å |
| 62 | I | 55.3 | Low | 53.5 | Low | 104 Ų | 104 | 80.9 Ų | 80.9 | 53% | 0.533 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 176.5 | -66 | 160.6 | 0 | 0 | 0 | 110.9 | G58 L59 L65 S66 | G58-I62 WeakPolarHBondContact O-CD1 3.3Å; G58-I62 VanDerWaalsContact O-CG1 3.29Å; G58-I62 WeakPolarHBondContact O-CG1 3.16Å; G58-I62 PolarHBondContact O-N 3.45Å; L59-I62 PolarHBondContact O-N 2.89Å; I62-L65 PolarHBondContact O-N 3.36Å; I62-S66 PolarHBondContact O-N 2.92Å |
| 63 | L | 56.1 | Low | 53.4 | Low | 116 Ų | 116 | 79.5 Ų | 79.5 | 61% | 0.607 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.6 | -37.7 | 179.3 | -170.1 | 66.1 | 0 | 0 | 0 | 112.3 | L59 G60 S66 T67 | L59-L63 WeakPolarHBondContact O-CB 3.17Å; L59-L63 PolarHBondContact O-N 3.03Å; G60-L63 PolarHBondContact O-N 2.86Å; L63-S66 PolarHBondContact O-N 3.21Å; L63-T67 WeakPolarHBondContact O-CG2 3.25Å; L63-T67 PolarHBondContact O-N 2.84Å; L63-T67 PolarHBondContact O-OG1 3.35Å |
| 64 | L | 55.2 | Low | 53.6 | Low | 39 Ų | 39 | 78 Ų | 78 | 20% | 0.204 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 172.8 | -72.2 | 171.1 | 0 | 0 | 0 | 111.4 | G60 G61 S66 T67 T68 | G60-L64 WeakPolarHBondContact O-CB 3.39Å; G60-L64 VanDerWaalsContact O-CG 3.27Å; G60-L64 WeakPolarHBondContact O-CG 3.42Å; G60-L64 PolarHBondContact O-N 3.03Å; G61-L64 PolarHBondContact O-N 3.05Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 2.84Å; L64-T67 WeakPolarHBondContact CA-OG1 3.42Å; L64-T67 PolarHBondContact O-N 2.88Å; L64-T67 PolarHBondContact O-OG1 3.48Å; L64-T67 VanDerWaalsContact O-OG1 3.06Å; L64-T68 WeakPolarHBondContact O-CB 3.31Å; L64-T68 PolarHBondContact O-N 3.3Å; L64-T68 PolarHBondContact O-OG1 3.43Å |
| 65 | L | 55.4 | Low | 53.1 | Low | 79 Ų | 79 | 85.7 Ų | 85.7 | 41% | 0.414 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -34.6 | 175.1 | -73.1 | 167.2 | 0 | 0 | 0 | 112.6 | G61 I62 T67 M81 L85 | G61-L65 WeakPolarHBondContact O-CB 3.17Å; G61-L65 VanDerWaalsContact O-CG 3.26Å; G61-L65 WeakPolarHBondContact O-CG 3.07Å; G61-L65 PolarHBondContact O-N 3.04Å; I62-L65 PolarHBondContact O-N 3.36Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-M81 HydrophobicContact CD1-CG 4.09Å; L65-M81 HydrophobicContact CD2-CB 4.39Å; L65-M81 HydrophobicContact CD2-CG 4Å; L65-M81 HydrophobicContact CG-CG 4.14Å; L65-L85 HydrophobicContact CD1-CD1 4Å |
| 66 | S | 51.1 | Low | 53.2 | Low | 77 Ų | 77 | 90 Ų | 90 | 54% | 0.538 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -77.1 | -18.8 | 179.3 | 116.1 | 0 | 0 | 0 | 0 | 113.5 | I62 L63 L64 T69 | I62-S66 PolarHBondContact O-N 2.92Å; L63-S66 PolarHBondContact O-N 3.21Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 2.84Å; S66-T69 VanDerWaalsContact O-CG2 3.31Å; S66-T69 WeakPolarHBondContact O-CG2 3.14Å |
| 67 | T | 53.5 | Low | 53.3 | Low | 85 Ų | 85 | 91.8 Ų | 91.8 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -94.7 | -26.7 | 178.1 | 46 | 0 | 0 | 0 | 0 | 111.7 | L63 L64 L65 T69 | L63-T67 WeakPolarHBondContact O-CG2 3.25Å; L63-T67 PolarHBondContact O-N 2.84Å; L63-T67 PolarHBondContact O-OG1 3.35Å; L64-T67 WeakPolarHBondContact CA-OG1 3.42Å; L64-T67 PolarHBondContact O-N 2.88Å; L64-T67 PolarHBondContact O-OG1 3.48Å; L64-T67 VanDerWaalsContact O-OG1 3.06Å; L65-T67 VanDerWaalsContact C-N 3.33Å; T67-T69 PolarHBondContact O-N 2.79Å |
| 68 | T | 51.1 | Low | 53.5 | Low | 78 Ų | 78 | 90.6 Ų | 90.6 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | trans | -86.2 | 64.6 | 173.1 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | L64 | L64-T68 WeakPolarHBondContact O-CB 3.31Å; L64-T68 PolarHBondContact O-N 3.3Å; L64-T68 PolarHBondContact O-OG1 3.43Å | ||
| 69 | T | 44.8 | Very low | 53.6 | Low | 106 Ų | 106 | 91.9 Ų | 91.9 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | trans | -104.8 | 48.5 | 175.9 | 84.6 | 0 | 0 | 0 | 0 | 112.5 | S66 T67 | S66-T69 VanDerWaalsContact O-CG2 3.31Å; S66-T69 WeakPolarHBondContact O-CG2 3.14Å; T67-T69 PolarHBondContact O-N 2.79Å | ||
| 70 | S | 43.3 | Very low | 54.1 | Low | 101 Ų | 101 | 88.6 Ų | 88.6 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | trans | -125.1 | 66.6 | 179.2 | -163 | 0 | 0 | 0 | 0 | 114.2 | S72 | S70-S72 VanDerWaalsContact C-N 3.32Å; S70-S72 PolarHBondContact O-N 2.84Å | ||
| 71 | F | 49.7 | Very low | 54.5 | Low | 189 Ų | 189 | 88.9 Ų | 88.9 | 83% | 0.829 | 50% | 0.497 | S | S | * | . | trans | 16.3 | 11.4 | 151.7 | -99.4 | -83.4 | 0 | 0 | 0 | 125.4 | D74 | F71-D74 WeakPolarHBondContact CA-OD2 3.47Å; F71-D74 PolarHBondContact N-OD2 3.37Å | ||
| 72 | S | 46.7 | Very low | 54.5 | Low | 117 Ų | 117 | 91 Ų | 91 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -123.5 | 1.2 | -169.8 | -141.4 | 0 | 0 | 0 | 0 | 118.7 | S70 D74 | S70-S72 VanDerWaalsContact C-N 3.32Å; S70-S72 PolarHBondContact O-N 2.84Å; S72-D74 PolarHBondContact N-OD1 3.5Å |
| 73 | S | 52.9 | Low | 54.5 | Low | 92 Ų | 92 | 91.7 Ų | 91.7 | 64% | 0.643 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -144.7 | 22.6 | 169.9 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | W75 | S73-W75 PolarHBondContact O-N 2.99Š|
| 74 | D | 58.5 | Low | 55.1 | Low | 60 Ų | 60 | 87.4 Ų | 87.4 | 32% | 0.321 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -84.8 | -20.6 | -134.1 | -75.9 | 20.9 | 0 | 0 | 0 | 117.8 | F71 S72 G78 | F71-D74 WeakPolarHBondContact CA-OD2 3.47Å; F71-D74 PolarHBondContact N-OD2 3.37Å; S72-D74 PolarHBondContact N-OD1 3.5Å; D74-G78 PolarHBondContact O-N 3.29Å |
| 75 | W | 49.5 | Very low | 55.3 | Low | 201 Ų | 201 | 88 Ų | 88 | 76% | 0.761 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -81.1 | -25.2 | -170.2 | 66.5 | -87.8 | 0 | 0 | 0 | 113.6 | S73 A79 | S73-W75 PolarHBondContact O-N 2.99Å; W75-A79 WeakPolarHBondContact O-CB 3.48Å; W75-A79 PolarHBondContact O-N 2.89Å |
| 76 | R | 57.4 | Low | 55.3 | Low | 189 Ų | 189 | 89.3 Ų | 89.3 | 71% | 0.713 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -80.1 | -39.8 | -178.5 | -63.5 | 179.8 | 79.9 | 177.6 | 3.9 | 112.3 | G80 | R76-G80 PolarHBondContact O-N 2.82Å; R76-G80 VanDerWaalsContact O-N 3.1Å |
| 77 | M | 58 | Low | 56.1 | Low | 80 Ų | 80 | 88.1 Ų | 88.1 | 39% | 0.394 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.8 | -41.1 | 173 | -75.8 | -69.2 | -77.4 | 0 | 0 | 111.1 | G80 M81 L140 M159 | M77-G80 PolarHBondContact O-N 2.93Å; M77-M81 PolarHBondContact O-N 2.9Å; M77-L140 HydrophobicContact CE-CD2 4.14Å; M77-L140 HydrophobicContact SD-CD2 3.75Å; M77-M159 HydrophobicContact CE-CG 3.79Å; M77-M159 HydrophobicContact CE-SD 3.91Å; M77-M159 HydrophobicContact SD-SD 4.29Å |
| 78 | G | 60.3 | Low | 56.6 | Low | 31 Ų | 31 | 85.1 Ų | 85.1 | 32% | 0.32 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D74 M81 A82 | D74-G78 PolarHBondContact O-N 3.29Å; G78-M81 PolarHBondContact O-N 3.29Å; G78-A82 VanDerWaalsContact O-CB 3.31Å; G78-A82 WeakPolarHBondContact O-CB 3.31Å; G78-A82 PolarHBondContact O-N 3.49Å |
| 79 | A | 58.9 | Low | 56.9 | Low | 43 Ų | 43 | 84 Ų | 84 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W75 M81 A82 L83 | W75-A79 WeakPolarHBondContact O-CB 3.48Å; W75-A79 PolarHBondContact O-N 2.89Å; A79-M81 VanDerWaalsContact C-N 3.31Å; A79-M81 PolarHBondContact O-N 3.39Å; A79-A82 PolarHBondContact O-N 3.49Å; A79-L83 WeakPolarHBondContact O-CB 3.24Å; A79-L83 WeakPolarHBondContact O-CG 3.41Å; A79-L83 PolarHBondContact O-N 2.97Å |
| 80 | G | 62.5 | Low | 57.9 | Low | 40 Ų | 40 | 82.5 Ų | 82.5 | 41% | 0.412 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R76 M77 C84 | R76-G80 PolarHBondContact O-N 2.82Å; R76-G80 VanDerWaalsContact O-N 3.1Å; M77-G80 PolarHBondContact O-N 2.93Å; G80-C84 WeakPolarHBondContact O-CB 3.31Å; G80-C84 PolarHBondContact O-N 2.94Å |
| 81 | M | 65.6 | Low | 58.9 | Low | 38 Ų | 38 | 79.6 Ų | 79.6 | 19% | 0.187 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -72.3 | -40.9 | 177.7 | -168.5 | 61.6 | -179.1 | 0 | 0 | 112.7 | L65 M77 G78 A79 L83 C84 L85 | L65-M81 HydrophobicContact CD1-CG 4.09Å; L65-M81 HydrophobicContact CD2-CB 4.39Å; L65-M81 HydrophobicContact CD2-CG 4Å; L65-M81 HydrophobicContact CG-CG 4.14Å; M77-M81 PolarHBondContact O-N 2.9Å; G78-M81 PolarHBondContact O-N 3.29Å; A79-M81 VanDerWaalsContact C-N 3.31Å; A79-M81 PolarHBondContact O-N 3.39Å; M81-L83 VanDerWaalsContact C-N 3.35Å; M81-L83 PolarHBondContact O-N 2.88Å; M81-C84 WeakPolarHBondContact O-CB 3.42Å; M81-C84 PolarHBondContact O-N 3.34Å; M81-C84 VanDerWaalsContact O-N 3.16Å; M81-L85 WeakPolarHBondContact O-CG 3.37Å; M81-L85 PolarHBondContact O-N 2.84Å |
| 82 | A | 58.4 | Low | 59.6 | Low | 47 Ų | 47 | 73.5 Ų | 73.5 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | G78 A79 C84 L85 L86 | G78-A82 VanDerWaalsContact O-CB 3.31Å; G78-A82 WeakPolarHBondContact O-CB 3.31Å; G78-A82 PolarHBondContact O-N 3.49Å; A79-A82 PolarHBondContact O-N 3.49Å; A82-C84 VanDerWaalsContact C-N 3.31Å; A82-L85 PolarHBondContact O-N 3.44Å; A82-L86 WeakPolarHBondContact O-CB 3.18Å; A82-L86 WeakPolarHBondContact O-CG 3.31Å; A82-L86 PolarHBondContact O-N 3.49Å |
| 83 | L | 55.9 | Low | 60.1 | Low | 118 Ų | 118 | 75.4 Ų | 75.4 | 62% | 0.618 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.6 | -34.9 | 173.4 | -71.6 | 171.5 | 0 | 0 | 0 | 111.7 | A79 M81 A87 | A79-L83 WeakPolarHBondContact O-CB 3.24Å; A79-L83 WeakPolarHBondContact O-CG 3.41Å; A79-L83 PolarHBondContact O-N 2.97Å; M81-L83 VanDerWaalsContact C-N 3.35Å; M81-L83 PolarHBondContact O-N 2.88Å; L83-A87 WeakPolarHBondContact O-CB 3.25Å; L83-A87 PolarHBondContact O-N 3.21Å |
| 84 | C | 68.3 | Low | 60.4 | Low | 25 Ų | 25 | 76.7 Ų | 76.7 | 17% | 0.169 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 173.5 | -164.7 | 0 | 0 | 0 | 0 | 111.9 | G80 M81 A82 A87 L88 | G80-C84 WeakPolarHBondContact O-CB 3.31Å; G80-C84 PolarHBondContact O-N 2.94Å; M81-C84 WeakPolarHBondContact O-CB 3.42Å; M81-C84 PolarHBondContact O-N 3.34Å; M81-C84 VanDerWaalsContact O-N 3.16Å; A82-C84 VanDerWaalsContact C-N 3.31Å; C84-A87 PolarHBondContact O-N 3.31Å; C84-L88 WeakPolarHBondContact O-CG 3.49Å; C84-L88 PolarHBondContact O-N 3.14Å |
| 85 | L | 58.3 | Low | 60.4 | Low | 51 Ų | 51 | 75.9 Ų | 75.9 | 27% | 0.267 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 176.4 | -69.3 | 175.2 | 0 | 0 | 0 | 112.1 | L65 M81 A82 L88 A89 | L65-L85 HydrophobicContact CD1-CD1 4Å; M81-L85 WeakPolarHBondContact O-CG 3.37Å; M81-L85 PolarHBondContact O-N 2.84Å; A82-L85 PolarHBondContact O-N 3.44Å; L85-L88 PolarHBondContact O-N 3.41Å; L85-A89 WeakPolarHBondContact O-CB 3.31Å; L85-A89 PolarHBondContact O-N 3.49Å |
| 86 | L | 57 | Low | 60.7 | Low | 108 Ų | 108 | 70 Ų | 70 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 174.1 | -82.3 | 167.6 | 0 | 0 | 0 | 111.8 | A82 L88 A89 V90 | A82-L86 WeakPolarHBondContact O-CB 3.18Å; A82-L86 WeakPolarHBondContact O-CG 3.31Å; A82-L86 PolarHBondContact O-N 3.49Å; L86-L88 VanDerWaalsContact C-N 3.34Å; L86-L88 PolarHBondContact O-N 3.41Å; L86-A89 PolarHBondContact O-N 2.88Å; L86-V90 WeakPolarHBondContact O-CB 3.22Å; L86-V90 VanDerWaalsContact O-CG2 3.28Å; L86-V90 WeakPolarHBondContact O-CG2 3.27Å; L86-V90 PolarHBondContact O-N 3.37Å |
| 87 | A | 66.6 | Low | 60.8 | Low | 51 Ų | 51 | 63.8 Ų | 63.8 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L83 C84 V90 L91 | L83-A87 WeakPolarHBondContact O-CB 3.25Å; L83-A87 PolarHBondContact O-N 3.21Å; C84-A87 PolarHBondContact O-N 3.31Å; A87-V90 PolarHBondContact O-N 2.81Å; A87-L91 WeakPolarHBondContact O-CB 3.37Å; A87-L91 WeakPolarHBondContact O-CD1 3.36Å; A87-L91 WeakPolarHBondContact O-CG 3.29Å; A87-L91 PolarHBondContact O-N 3.25Å |
| 88 | L | 64.8 | Low | 60.6 | Low | 23 Ų | 23 | 63.4 Ų | 63.4 | 12% | 0.12 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 175.8 | -70.1 | 170.2 | 0 | 0 | 0 | 112.6 | C84 L85 L86 L91 L92 T129 | C84-L88 WeakPolarHBondContact O-CG 3.49Å; C84-L88 PolarHBondContact O-N 3.14Å; L85-L88 PolarHBondContact O-N 3.41Å; L86-L88 VanDerWaalsContact C-N 3.34Å; L86-L88 PolarHBondContact O-N 3.41Å; L88-L91 PolarHBondContact O-N 3.28Å; L88-L92 WeakPolarHBondContact O-CB 3.36Å; L88-L92 PolarHBondContact O-N 3.26Å; L88-T129 HydrophobicContact CD2-CG2 4.37Å |
| 89 | A | 56.7 | Low | 60.1 | Low | 55 Ų | 55 | 64.3 Ų | 64.3 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L85 L86 L92 K93 | L85-A89 WeakPolarHBondContact O-CB 3.31Å; L85-A89 PolarHBondContact O-N 3.49Å; L86-A89 PolarHBondContact O-N 2.88Å; A89-L92 PolarHBondContact O-N 2.91Å; A89-K93 WeakPolarHBondContact O-CB 3.38Å; A89-K93 PolarHBondContact O-N 2.97Å |
| 90 | V | 66.8 | Low | 59.7 | Low | 74 Ų | 74 | 67.1 Ų | 67.1 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 174.8 | 171 | 0 | 0 | 0 | 0 | 110.5 | L86 A87 K93 Q94 | L86-V90 WeakPolarHBondContact O-CB 3.22Å; L86-V90 VanDerWaalsContact O-CG2 3.28Å; L86-V90 WeakPolarHBondContact O-CG2 3.27Å; L86-V90 PolarHBondContact O-N 3.37Å; A87-V90 PolarHBondContact O-N 2.81Å; V90-K93 PolarHBondContact O-N 2.95Å; V90-Q94 HydrophobicContact CG1-CG 4.48Å; V90-Q94 WeakPolarHBondContact O-CG 3.35Å; V90-Q94 PolarHBondContact O-N 2.94Å |
| 91 | L | 63.2 | Low | 58.7 | Low | 39 Ų | 39 | 70.9 Ų | 70.9 | 20% | 0.204 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 175.9 | -71.6 | 165.9 | 0 | 0 | 0 | 111.4 | A87 L88 K93 Q94 L95 V125 T129 | A87-L91 WeakPolarHBondContact O-CB 3.37Å; A87-L91 WeakPolarHBondContact O-CD1 3.36Å; A87-L91 WeakPolarHBondContact O-CG 3.29Å; A87-L91 PolarHBondContact O-N 3.25Å; L88-L91 PolarHBondContact O-N 3.28Å; L91-K93 VanDerWaalsContact C-N 3.3Å; L91-K93 PolarHBondContact O-N 2.88Å; L91-Q94 PolarHBondContact O-N 2.76Å; L91-Q94 VanDerWaalsContact O-N 3.15Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 3.47Å; L91-V125 HydrophobicContact CD2-CG1 3.77Å; L91-T129 HydrophobicContact CD1-CG2 3.42Å; L91-T129 VanDerWaalsContact CD1-CG2 3.42Å; L91-T129 VanDerWaalsContact CD1-OG1 3.24Å; L91-T129 WeakPolarHBondContact CD1-OG1 3.3Å |
| 92 | L | 64.1 | Low | 57.9 | Low | 61 Ų | 61 | 74.1 Ų | 74.1 | 32% | 0.319 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 176.5 | -173.1 | 68 | 0 | 0 | 0 | 112 | I54 L88 A89 L95 L96 | I54-L92 HydrophobicContact CD1-CD1 3.74Å; I54-L92 HydrophobicContact CG2-CD1 4.3Å; I54-L92 HydrophobicContact CG2-CD2 4.32Å; L88-L92 WeakPolarHBondContact O-CB 3.36Å; L88-L92 PolarHBondContact O-N 3.26Å; A89-L92 PolarHBondContact O-N 2.91Å; L92-L95 PolarHBondContact O-N 3.46Å; L92-L96 HydrophobicContact CG-CD1 4.13Å; L92-L96 WeakPolarHBondContact O-CB 3.23Å; L92-L96 WeakPolarHBondContact O-CD1 3.37Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.22Å; L92-L96 PolarHBondContact O-N 2.89Å |
| 93 | K | 57.9 | Low | 57 | Low | 157 Ų | 157 | 79.6 Ų | 79.6 | 68% | 0.683 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66 | -39.2 | 176.2 | -167.1 | -169.4 | 178.4 | 85.4 | 0 | 111.9 | A89 V90 L91 S97 | A89-K93 WeakPolarHBondContact O-CB 3.38Å; A89-K93 PolarHBondContact O-N 2.97Å; V90-K93 PolarHBondContact O-N 2.95Å; L91-K93 VanDerWaalsContact C-N 3.3Å; L91-K93 PolarHBondContact O-N 2.88Å; K93-S97 VanDerWaalsContact O-CB 3.29Å; K93-S97 WeakPolarHBondContact O-CB 3.42Å; K93-S97 PolarHBondContact O-N 3.29Å |
| 94 | Q | 59.8 | Low | 56.5 | Low | 119 Ų | 119 | 79.7 Ų | 79.7 | 56% | 0.556 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67 | -40.2 | 176.9 | -73.4 | -169.1 | 20.3 | 0 | 0 | 111.6 | V90 L91 S97 S98 | V90-Q94 HydrophobicContact CG1-CG 4.48Å; V90-Q94 WeakPolarHBondContact O-CG 3.35Å; V90-Q94 PolarHBondContact O-N 2.94Å; L91-Q94 PolarHBondContact O-N 2.76Å; L91-Q94 VanDerWaalsContact O-N 3.15Å; Q94-S97 PolarHBondContact O-N 3.38Å; Q94-S98 VanDerWaalsContact O-CB 3.31Å; Q94-S98 WeakPolarHBondContact O-CB 3Å; Q94-S98 PolarHBondContact O-N 2.9Å |
| 95 | L | 58.1 | Low | 55.3 | Low | 44 Ų | 44 | 82.6 Ų | 82.6 | 23% | 0.23 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 175.8 | -66.3 | 174.5 | 0 | 0 | 0 | 111.9 | L91 L92 S98 A99 D122 | L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 3.47Å; L92-L95 PolarHBondContact O-N 3.46Å; L95-S98 PolarHBondContact O-N 2.86Å; L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.29Å; L95-A99 PolarHBondContact O-N 2.84Å; L95-D122 WeakPolarHBondContact CD2-OD1 3.46Å |
| 96 | L | 56 | Low | 54.6 | Low | 78 Ų | 78 | 84.5 Ų | 84.5 | 41% | 0.408 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 176.1 | -72 | 164.3 | 0 | 0 | 0 | 112 | L92 A99 V100 | L92-L96 HydrophobicContact CG-CD1 4.13Å; L92-L96 WeakPolarHBondContact O-CB 3.23Å; L92-L96 WeakPolarHBondContact O-CD1 3.37Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.22Å; L92-L96 PolarHBondContact O-N 2.89Å; L96-A99 PolarHBondContact O-N 3.43Å; L96-V100 WeakPolarHBondContact O-CB 3.44Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.22Å; L96-V100 PolarHBondContact O-N 3.43Å |
| 97 | S | 60.3 | Low | 54 | Low | 58 Ų | 58 | 90.1 Ų | 90.1 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 176.5 | -169.9 | 0 | 0 | 0 | 0 | 112 | K93 Q94 Q101 | K93-S97 VanDerWaalsContact O-CB 3.29Å; K93-S97 WeakPolarHBondContact O-CB 3.42Å; K93-S97 PolarHBondContact O-N 3.29Å; Q94-S97 PolarHBondContact O-N 3.38Å; S97-Q101 VanDerWaalsContact O-CB 3.28Å; S97-Q101 WeakPolarHBondContact O-CB 3.25Å; S97-Q101 WeakPolarHBondContact O-CG 3.42Å; S97-Q101 PolarHBondContact O-N 2.89Å |
| 98 | S | 52.8 | Low | 53 | Low | 71 Ų | 71 | 91.8 Ų | 91.8 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.4 | -39.2 | 176.7 | -165.7 | 0 | 0 | 0 | 0 | 111.4 | Q94 L95 Q101 D102 | Q94-S98 VanDerWaalsContact O-CB 3.31Å; Q94-S98 WeakPolarHBondContact O-CB 3Å; Q94-S98 PolarHBondContact O-N 2.9Å; L95-S98 PolarHBondContact O-N 2.86Å; S98-Q101 PolarHBondContact O-N 3.32Å; S98-D102 VanDerWaalsContact O-CB 3.23Å; S98-D102 WeakPolarHBondContact O-CB 3.49Å; S98-D102 PolarHBondContact O-N 3Å |
| 99 | A | 51 | Low | 52.2 | Low | 51 Ų | 51 | 96.1 Ų | 96.1 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L95 L96 D102 M103 | L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.29Å; L95-A99 PolarHBondContact O-N 2.84Å; L96-A99 PolarHBondContact O-N 3.43Å; A99-D102 PolarHBondContact O-N 3.33Å; A99-M103 PolarHBondContact O-N 2.89Å |
| 100 | V | 48.5 | Very low | 51.6 | Low | 101 Ų | 101 | 105.2 Ų | 105.2 | 61% | 0.612 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.1 | -35.1 | 174.4 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | L96 M103 N104 | L96-V100 WeakPolarHBondContact O-CB 3.44Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.22Å; L96-V100 PolarHBondContact O-N 3.43Å; V100-M103 WeakPolarHBondContact O-CB 3.4Å; V100-N104 PolarHBondContact O-N 3.32Å |
| 101 | Q | 43.5 | Very low | 50.5 | Low | 120 Ų | 120 | 110.7 Ų | 110.7 | 56% | 0.561 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -72.5 | -34.1 | 174.6 | -76.1 | 172.1 | 1.7 | 0 | 0 | 112.6 | S97 S98 M103 N104 C105 | S97-Q101 VanDerWaalsContact O-CB 3.28Å; S97-Q101 WeakPolarHBondContact O-CB 3.25Å; S97-Q101 WeakPolarHBondContact O-CG 3.42Å; S97-Q101 PolarHBondContact O-N 2.89Å; S98-Q101 PolarHBondContact O-N 3.32Å; Q101-M103 VanDerWaalsContact C-N 3.34Å; Q101-N104 PolarHBondContact O-N 3Å; Q101-N104 VanDerWaalsContact O-N 3.13Å; Q101-C105 PolarHBondContact O-N 3.31Å |
| 102 | D | 47.1 | Very low | 49.5 | Very low | 105 Ų | 105 | 113.7 Ų | 113.7 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.4 | -36.4 | 175.1 | -165 | 38 | 0 | 0 | 0 | 111.1 | S98 A99 N104 C105 V106 | S98-D102 VanDerWaalsContact O-CB 3.23Å; S98-D102 WeakPolarHBondContact O-CB 3.49Å; S98-D102 PolarHBondContact O-N 3Å; A99-D102 PolarHBondContact O-N 3.33Å; D102-N104 PolarHBondContact O-N 3.09Å; D102-C105 PolarHBondContact O-N 3.44Å; D102-V106 WeakPolarHBondContact O-CG2 3.15Å; D102-V106 PolarHBondContact O-N 3.27Å |
| 103 | M | 41.3 | Very low | 48.5 | Very low | 162 Ų | 162 | 118.5 Ų | 118.5 | 80% | 0.798 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.3 | -31 | 170.4 | -148.8 | 92.7 | 156 | 0 | 0 | 112.8 | A99 V100 Q101 | A99-M103 PolarHBondContact O-N 2.89Å; V100-M103 WeakPolarHBondContact O-CB 3.4Å; Q101-M103 VanDerWaalsContact C-N 3.34Å |
| 104 | N | 44.2 | Very low | 47.8 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 65% | 0.647 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -90.1 | -22.8 | 179.2 | -112.5 | -21.9 | 0 | 0 | 0 | 113.4 | V100 Q101 D102 | V100-N104 PolarHBondContact O-N 3.32Å; Q101-N104 PolarHBondContact O-N 3Å; Q101-N104 VanDerWaalsContact O-N 3.13Å; D102-N104 PolarHBondContact O-N 3.09Å |
| 105 | C | 43.2 | Very low | 46.8 | Very low | 85 Ų | 85 | 117.6 Ų | 117.6 | 57% | 0.574 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -81.8 | -21.5 | 178 | -80.4 | 0 | 0 | 0 | 0 | 113.9 | Q101 D102 R107 S108 | Q101-C105 PolarHBondContact O-N 3.31Å; D102-C105 PolarHBondContact O-N 3.44Å; C105-R107 PolarHBondContact O-N 3.32Å; C105-R107 VanDerWaalsContact O-N 3.09Å; C105-S108 PolarHBondContact O-N 3.37Å |
| 106 | V | 43.3 | Very low | 46 | Very low | 91 Ų | 91 | 125 Ų | 125 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -21.2 | 172.6 | 165.2 | 0 | 0 | 0 | 0 | 112.7 | D102 S108 | D102-V106 WeakPolarHBondContact O-CG2 3.15Å; D102-V106 PolarHBondContact O-N 3.27Å; V106-S108 PolarHBondContact O-N 2.89Å |
| 107 | R | 45.3 | Very low | 45.4 | Very low | 226 Ų | 226 | 125.5 Ų | 125.5 | 85% | 0.853 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -11.6 | 173.6 | -173.4 | 165.6 | -87 | 177.7 | -5.9 | 114 | C105 | C105-R107 PolarHBondContact O-N 3.32Å; C105-R107 VanDerWaalsContact O-N 3.09Å |
| 108 | S | 45.5 | Very low | 44.5 | Very low | 87 Ų | 87 | 124.3 Ų | 124.3 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | trans | -123.6 | 59.1 | -175.6 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | C105 V106 R110 | C105-S108 PolarHBondContact O-N 3.37Å; V106-S108 PolarHBondContact O-N 2.89Å; S108-R110 PolarHBondContact O-N 3.03Å | ||
| 109 | R | 47 | Very low | 44.3 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 43% | 0.426 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62 | 13 | -179.6 | -95.6 | -167.8 | 164.6 | 175.6 | -2.5 | 116.7 | I112 | R109-I112 HydrophobicContact CB-CD1 4.03Å; R109-I112 HydrophobicContact CG-CD1 3.66Å |
| 110 | R | 45.3 | Very low | 44.4 | Very low | 247 Ų | 247 | 126.5 Ų | 126.5 | 93% | 0.932 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 6.3 | -176.5 | -140.7 | 176.4 | -154.3 | 179.8 | 7.3 | 115.3 | S108 | S108-R110 PolarHBondContact O-N 3.03Š|
| 111 | R | 43 | Very low | 44.6 | Very low | 188 Ų | 188 | 125 Ų | 125 | 71% | 0.709 | 64% | 0.64 | S | S | * | * | trans | -133.5 | 31.6 | -175.9 | -130.2 | -167.2 | -73.5 | -123.5 | 6.4 | 114.3 | D113 | R111-D113 PolarHBondContact O-N 3.19Š| ||
| 112 | I | 41.5 | Very low | 45.3 | Very low | 102 Ų | 102 | 123 Ų | 123 | 52% | 0.523 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -75.8 | -16.5 | -169.6 | -66.2 | 170.8 | 0 | 0 | 0 | 114.2 | R109 I114 L115 | R109-I112 HydrophobicContact CB-CD1 4.03Å; R109-I112 HydrophobicContact CG-CD1 3.66Å; I112-I114 VanDerWaalsContact C-N 3.27Å; I112-I114 PolarHBondContact O-N 3.39Å; I112-L115 PolarHBondContact O-N 3.06Å |
| 113 | D | 43.8 | Very low | 45.8 | Very low | 163 Ų | 163 | 119.7 Ų | 119.7 | 87% | 0.872 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -77.8 | -7 | 178.5 | -81.9 | -29.3 | 0 | 0 | 0 | 114.9 | R111 | R111-D113 PolarHBondContact O-N 3.19Š|
| 114 | I | 42.4 | Very low | 46.5 | Very low | 137 Ų | 137 | 116.5 Ų | 116.5 | 70% | 0.703 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -101.9 | -13.5 | 177.1 | -58.9 | 175.1 | 0 | 0 | 0 | 111.9 | I112 | I112-I114 VanDerWaalsContact C-N 3.27Å; I112-I114 PolarHBondContact O-N 3.39Å |
| 115 | L | 39.7 | Very low | 47.3 | Very low | 120 Ų | 120 | 112.9 Ų | 112.9 | 63% | 0.628 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -98.8 | 6.4 | -177.3 | -86 | 131.7 | 0 | 0 | 0 | 115 | I112 S117 G118 | I112-L115 PolarHBondContact O-N 3.06Å; L115-S117 PolarHBondContact O-N 3.24Å; L115-G118 PolarHBondContact O-N 3.22Å |
| 116 | K | 40.7 | Very low | 48.3 | Very low | 200 Ų | 200 | 111.4 Ų | 111.4 | 87% | 0.87 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -59.2 | -8.8 | 165.1 | -163.8 | 169.7 | 180 | 175.6 | 0 | 113 | ||
| 117 | S | 43.8 | Very low | 49.1 | Very low | 87 Ų | 87 | 110.2 Ų | 110.2 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -88.3 | -10.8 | 171.5 | -168.8 | 0 | 0 | 0 | 0 | 114.5 | L115 S121 | L115-S117 PolarHBondContact O-N 3.24Å; S117-S121 PolarHBondContact O-N 2.78Å |
| 118 | G | 42.1 | Very low | 49.8 | Very low | 33 Ų | 33 | 103.8 Ų | 103.8 | 34% | 0.34 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74.1 | -41.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L115 L120 S121 D122 | L115-G118 PolarHBondContact O-N 3.22Å; G118-L120 VanDerWaalsContact C-N 3.29Å; G118-L120 PolarHBondContact O-N 3.47Å; G118-S121 VanDerWaalsContact O-CB 3.31Å; G118-S121 WeakPolarHBondContact O-CB 3.39Å; G118-S121 PolarHBondContact O-N 3.45Å; G118-S121 VanDerWaalsContact O-N 3.14Å; G118-D122 PolarHBondContact O-N 3.24Å |
| 119 | G | 48.8 | Very low | 50.8 | Low | 62 Ų | 62 | 101 Ų | 101 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.1 | -26.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S121 L123 | G119-S121 VanDerWaalsContact C-N 3.33Å; G119-L123 PolarHBondContact O-N 2.82Å |
| 120 | L | 52 | Low | 51.5 | Low | 106 Ų | 106 | 95.8 Ų | 95.8 | 56% | 0.555 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.2 | -31.5 | 172.7 | -120.8 | 158.7 | 0 | 0 | 0 | 111.2 | G118 L123 L124 | G118-L120 VanDerWaalsContact C-N 3.29Å; G118-L120 PolarHBondContact O-N 3.47Å; L120-L123 PolarHBondContact O-N 2.97Å; L120-L124 HydrophobicContact CD2-CD1 4.16Å; L120-L124 VanDerWaalsContact O-CB 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.17Å; L120-L124 PolarHBondContact O-N 2.96Å |
| 121 | S | 52.7 | Low | 52 | Low | 70 Ų | 70 | 88.5 Ų | 88.5 | 49% | 0.49 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 178.4 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | S117 G118 G119 L124 V125 | S117-S121 PolarHBondContact O-N 2.78Å; G118-S121 VanDerWaalsContact O-CB 3.31Å; G118-S121 WeakPolarHBondContact O-CB 3.39Å; G118-S121 PolarHBondContact O-N 3.45Å; G118-S121 VanDerWaalsContact O-N 3.14Å; G119-S121 VanDerWaalsContact C-N 3.33Å; S121-L124 WeakPolarHBondContact O-CB 3.27Å; S121-L124 PolarHBondContact O-N 3.26Å; S121-V125 VanDerWaalsContact O-CG2 3.25Å; S121-V125 WeakPolarHBondContact O-CG2 3.42Å; S121-V125 PolarHBondContact O-N 2.86Å |
| 122 | D | 58.8 | Low | 52.8 | Low | 78 Ų | 78 | 83.3 Ų | 83.3 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 177.7 | -169.8 | 36.2 | 0 | 0 | 0 | 111.2 | L95 G118 L124 V125 V126 | L95-D122 WeakPolarHBondContact CD2-OD1 3.46Å; G118-D122 PolarHBondContact O-N 3.24Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.13Å; D122-V125 PolarHBondContact O-N 3.43Å; D122-V126 WeakPolarHBondContact O-CG2 3.32Å; D122-V126 PolarHBondContact O-N 3.35Å |
| 123 | L | 56.8 | Low | 53.7 | Low | 36 Ų | 36 | 79.9 Ų | 79.9 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 172.8 | -163.5 | 76.5 | 0 | 0 | 0 | 112.3 | G119 L120 V125 V126 L127 V177 Y180 T181 | G119-L123 PolarHBondContact O-N 2.82Å; L120-L123 PolarHBondContact O-N 2.97Å; L123-V125 VanDerWaalsContact C-N 3.34Å; L123-V126 PolarHBondContact O-N 2.96Å; L123-L127 VanDerWaalsContact O-CB 3.31Å; L123-L127 WeakPolarHBondContact O-CB 3.24Å; L123-L127 PolarHBondContact O-N 3.09Å; L123-V177 HydrophobicContact CD1-CG1 3.75Å; L123-V177 HydrophobicContact CG-CG1 4Å; L123-Y180 HydrophobicContact CD1-CD1 4.18Å; L123-T181 HydrophobicContact CD2-CG2 3.92Å |
| 124 | L | 56.2 | Low | 54.6 | Low | 94 Ų | 94 | 74 Ų | 74 | 49% | 0.492 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 176.9 | -132.8 | 108.4 | 0 | 0 | 0 | 111 | L120 S121 D122 L127 I128 | L120-L124 HydrophobicContact CD2-CD1 4.16Å; L120-L124 VanDerWaalsContact O-CB 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.17Å; L120-L124 PolarHBondContact O-N 2.96Å; S121-L124 WeakPolarHBondContact O-CB 3.27Å; S121-L124 PolarHBondContact O-N 3.26Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.13Å; L124-L127 PolarHBondContact O-N 2.83Å; L124-I128 HydrophobicContact CD2-CD1 3.8Å; L124-I128 WeakPolarHBondContact O-CB 3.35Å; L124-I128 WeakPolarHBondContact O-CG1 3.39Å; L124-I128 PolarHBondContact O-N 3.38Å |
| 125 | V | 61.2 | Low | 55.5 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 179.6 | 171 | 0 | 0 | 0 | 0 | 110.5 | L91 S121 D122 L123 T129 | L91-V125 HydrophobicContact CD2-CG1 3.77Å; S121-V125 VanDerWaalsContact O-CG2 3.25Å; S121-V125 WeakPolarHBondContact O-CG2 3.42Å; S121-V125 PolarHBondContact O-N 2.86Å; D122-V125 PolarHBondContact O-N 3.43Å; L123-V125 VanDerWaalsContact C-N 3.34Å; V125-T129 WeakPolarHBondContact O-CB 3.37Å; V125-T129 PolarHBondContact O-N 3.41Å; V125-T129 PolarHBondContact O-OG1 2.89Å |
| 126 | V | 64.4 | Low | 56.5 | Low | 55 Ų | 55 | 68.3 Ų | 68.3 | 33% | 0.333 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 175 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | D122 L123 T129 G130 V177 | D122-V126 WeakPolarHBondContact O-CG2 3.32Å; D122-V126 PolarHBondContact O-N 3.35Å; L123-V126 PolarHBondContact O-N 2.96Å; V126-T129 PolarHBondContact O-N 2.82Å; V126-G130 PolarHBondContact O-N 3.37Å; V126-V177 HydrophobicContact CG1-CG2 3.69Å |
| 127 | L | 60.8 | Low | 57.5 | Low | 66 Ų | 66 | 58.8 Ų | 58.8 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 179.7 | -151.9 | 164.6 | 0 | 0 | 0 | 111.5 | L123 L124 T129 G130 L131 V177 | L123-L127 VanDerWaalsContact O-CB 3.31Å; L123-L127 WeakPolarHBondContact O-CB 3.24Å; L123-L127 PolarHBondContact O-N 3.09Å; L124-L127 PolarHBondContact O-N 2.83Å; L127-T129 VanDerWaalsContact C-N 3.3Å; L127-T129 PolarHBondContact O-N 2.82Å; L127-G130 PolarHBondContact O-N 3.5Å; L127-L131 HydrophobicContact CD2-CD1 4.39Å; L127-L131 WeakPolarHBondContact O-CB 3.41Å; L127-L131 PolarHBondContact O-N 2.82Å; L127-V177 HydrophobicContact CB-CG1 4.32Å; L127-V177 HydrophobicContact CD1-CG1 4.07Å; L127-V177 HydrophobicContact CG-CG1 4.22Å |
| 128 | I | 60.3 | Low | 58.3 | Low | 90 Ų | 90 | 56.4 Ų | 56.4 | 46% | 0.462 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 174.4 | -71.7 | 166.2 | 0 | 0 | 0 | 110.1 | L124 L131 C132 | L124-I128 HydrophobicContact CD2-CD1 3.8Å; L124-I128 WeakPolarHBondContact O-CB 3.35Å; L124-I128 WeakPolarHBondContact O-CG1 3.39Å; L124-I128 PolarHBondContact O-N 3.38Å; I128-L131 PolarHBondContact O-N 2.92Å; I128-C132 WeakPolarHBondContact O-CB 3.24Å; I128-C132 PolarHBondContact O-N 3.43Å; I128-C132 PolarHBondContact O-SG 3.44Å |
| 129 | T | 65.4 | Low | 59.3 | Low | 29 Ų | 29 | 58.6 Ų | 58.6 | 18% | 0.178 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 178.8 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | L88 L91 V125 V126 L127 L131 C132 L133 | L88-T129 HydrophobicContact CD2-CG2 4.37Å; L91-T129 HydrophobicContact CD1-CG2 3.42Å; L91-T129 VanDerWaalsContact CD1-CG2 3.42Å; L91-T129 VanDerWaalsContact CD1-OG1 3.24Å; L91-T129 WeakPolarHBondContact CD1-OG1 3.3Å; V125-T129 WeakPolarHBondContact O-CB 3.37Å; V125-T129 PolarHBondContact O-N 3.41Å; V125-T129 PolarHBondContact O-OG1 2.89Å; V126-T129 PolarHBondContact O-N 2.82Å; L127-T129 VanDerWaalsContact C-N 3.3Å; L127-T129 PolarHBondContact O-N 2.82Å; T129-L131 VanDerWaalsContact C-N 3.32Å; T129-L131 PolarHBondContact O-N 2.89Å; T129-C132 PolarHBondContact O-N 2.95Å; T129-L133 HydrophobicContact CG2-CD1 4.46Å; T129-L133 WeakPolarHBondContact O-CG 3.33Å; T129-L133 PolarHBondContact O-N 3.38Å |
| 130 | G | 61.1 | Low | 59.8 | Low | 4 Ų | 4 | 57.1 Ų | 57.1 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V126 L127 L133 V134 | V126-G130 PolarHBondContact O-N 3.37Å; L127-G130 PolarHBondContact O-N 3.5Å; G130-L133 PolarHBondContact O-N 2.89Å; G130-V134 WeakPolarHBondContact O-CG2 3.46Å; G130-V134 PolarHBondContact O-N 2.97Å |
| 131 | L | 56.5 | Low | 60.3 | Low | 94 Ų | 94 | 53.6 Ų | 53.6 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 177 | -141.5 | 84.3 | 0 | 0 | 0 | 111.7 | L127 I128 T129 L133 V134 V135 | L127-L131 HydrophobicContact CD2-CD1 4.39Å; L127-L131 WeakPolarHBondContact O-CB 3.41Å; L127-L131 PolarHBondContact O-N 2.82Å; I128-L131 PolarHBondContact O-N 2.92Å; T129-L131 VanDerWaalsContact C-N 3.32Å; T129-L131 PolarHBondContact O-N 2.89Å; L131-L133 VanDerWaalsContact C-N 3.31Å; L131-L133 PolarHBondContact O-N 2.86Å; L131-V134 PolarHBondContact O-N 3.41Å; L131-V135 WeakPolarHBondContact O-CB 3.29Å; L131-V135 VanDerWaalsContact O-CG2 3.29Å; L131-V135 WeakPolarHBondContact O-CG2 3.3Å; L131-V135 PolarHBondContact O-N 2.93Å |
| 132 | C | 59.6 | Low | 60.5 | Low | 79 Ų | 79 | 57.9 Ų | 57.9 | 53% | 0.534 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 175.8 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | I128 T129 C136 | I128-C132 WeakPolarHBondContact O-CB 3.24Å; I128-C132 PolarHBondContact O-N 3.43Å; I128-C132 PolarHBondContact O-SG 3.44Å; T129-C132 PolarHBondContact O-N 2.95Å; C132-C136 VanDerWaalsContact O-CB 3.26Å; C132-C136 WeakPolarHBondContact O-CB 3.15Å; C132-C136 PolarHBondContact O-N 3.36Å |
| 133 | L | 61.5 | Low | 60.7 | Low | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 175.4 | -70.9 | 171.8 | 0 | 0 | 0 | 112.2 | T129 G130 L131 C136 G137 L166 | T129-L133 HydrophobicContact CG2-CD1 4.46Å; T129-L133 WeakPolarHBondContact O-CG 3.33Å; T129-L133 PolarHBondContact O-N 3.38Å; G130-L133 PolarHBondContact O-N 2.89Å; L131-L133 VanDerWaalsContact C-N 3.31Å; L131-L133 PolarHBondContact O-N 2.86Å; L133-C136 PolarHBondContact O-N 2.91Å; L133-G137 PolarHBondContact O-N 3.4Å; L133-L166 HydrophobicContact CD2-CD2 4.48Å |
| 134 | V | 60.8 | Low | 60.8 | Low | 40 Ų | 40 | 57 Ų | 57 | 24% | 0.242 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 176 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | G130 L131 C136 G137 A138 V174 | G130-V134 WeakPolarHBondContact O-CG2 3.46Å; G130-V134 PolarHBondContact O-N 2.97Å; L131-V134 PolarHBondContact O-N 3.41Å; V134-C136 VanDerWaalsContact C-N 3.34Å; V134-G137 PolarHBondContact O-N 2.92Å; V134-A138 VanDerWaalsContact O-CB 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.28Å; V134-A138 PolarHBondContact O-N 3.03Å; V134-V174 HydrophobicContact CG2-CG2 4.44Å |
| 135 | V | 61.4 | Low | 61.1 | Low | 85 Ų | 85 | 57.9 Ų | 57.9 | 52% | 0.515 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | L131 A138 V139 | L131-V135 WeakPolarHBondContact O-CB 3.29Å; L131-V135 VanDerWaalsContact O-CG2 3.29Å; L131-V135 WeakPolarHBondContact O-CG2 3.3Å; L131-V135 PolarHBondContact O-N 2.93Å; V135-A138 PolarHBondContact O-N 3.42Å; V135-V139 VanDerWaalsContact O-CG2 3.27Å; V135-V139 WeakPolarHBondContact O-CG2 3.31Å; V135-V139 PolarHBondContact O-N 3.43Å |
| 136 | C | 62.5 | Low | 60.9 | Low | 52 Ų | 52 | 58.6 Ų | 58.6 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 175.2 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | C132 L133 V134 A138 V139 L140 L166 | C132-C136 VanDerWaalsContact O-CB 3.26Å; C132-C136 WeakPolarHBondContact O-CB 3.15Å; C132-C136 PolarHBondContact O-N 3.36Å; L133-C136 PolarHBondContact O-N 2.91Å; V134-C136 VanDerWaalsContact C-N 3.34Å; C136-A138 PolarHBondContact O-N 3.31Å; C136-V139 PolarHBondContact O-N 2.93Å; C136-L140 WeakPolarHBondContact O-CG 3.49Å; C136-L140 PolarHBondContact O-N 3.4Å; C136-L166 HydrophobicContact CB-CD2 4.35Å |
| 137 | G | 61.3 | Low | 60.3 | Low | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L133 V134 L140 L141 | L133-G137 PolarHBondContact O-N 3.4Å; V134-G137 PolarHBondContact O-N 2.92Å; G137-L140 PolarHBondContact O-N 2.88Å; G137-L141 WeakPolarHBondContact O-CB 3.3Å; G137-L141 PolarHBondContact O-N 3.24Å |
| 138 | A | 60.8 | Low | 59.7 | Low | 38 Ų | 38 | 67.9 Ų | 67.9 | 31% | 0.314 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V134 V135 C136 L141 K142 L167 | V134-A138 VanDerWaalsContact O-CB 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.28Å; V134-A138 PolarHBondContact O-N 3.03Å; V135-A138 PolarHBondContact O-N 3.42Å; C136-A138 PolarHBondContact O-N 3.31Å; A138-L141 PolarHBondContact O-N 2.7Å; A138-K142 WeakPolarHBondContact O-CB 3.44Å; A138-K142 WeakPolarHBondContact O-CG 3.27Å; A138-K142 PolarHBondContact O-N 2.99Å; A138-L167 HydrophobicContact CB-CD1 4.41Å |
| 139 | V | 61.6 | Low | 58.9 | Low | 79 Ų | 79 | 70.3 Ų | 70.3 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 175.6 | 171 | 0 | 0 | 0 | 0 | 110.8 | V135 C136 L141 K142 L143 | V135-V139 VanDerWaalsContact O-CG2 3.27Å; V135-V139 WeakPolarHBondContact O-CG2 3.31Å; V135-V139 PolarHBondContact O-N 3.43Å; C136-V139 PolarHBondContact O-N 2.93Å; V139-L141 VanDerWaalsContact C-N 3.32Å; V139-L141 PolarHBondContact O-N 2.85Å; V139-K142 PolarHBondContact O-N 3.48Å; V139-L143 HydrophobicContact CG1-CD1 3.97Å; V139-L143 WeakPolarHBondContact O-CB 3.29Å; V139-L143 VanDerWaalsContact O-CG 3.32Å; V139-L143 WeakPolarHBondContact O-CG 3.5Å; V139-L143 PolarHBondContact O-N 2.85Å |
| 140 | L | 59.6 | Low | 58 | Low | 30 Ų | 30 | 74 Ų | 74 | 16% | 0.157 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 174.7 | -70.6 | 175 | 0 | 0 | 0 | 111.8 | M77 C136 G137 L143 A144 | M77-L140 HydrophobicContact CE-CD2 4.14Å; M77-L140 HydrophobicContact SD-CD2 3.75Å; C136-L140 WeakPolarHBondContact O-CG 3.49Å; C136-L140 PolarHBondContact O-N 3.4Å; G137-L140 PolarHBondContact O-N 2.88Å; L140-L143 PolarHBondContact O-N 3.3Å; L140-A144 WeakPolarHBondContact O-CB 3.45Å; L140-A144 PolarHBondContact O-N 3.35Å |
| 141 | L | 62.4 | Low | 57.3 | Low | 32 Ų | 32 | 83.1 Ų | 83.1 | 17% | 0.168 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 177.3 | -160.7 | 71 | 0 | 0 | 0 | 112 | G137 A138 V139 A144 L145 Y160 V164 L167 | G137-L141 WeakPolarHBondContact O-CB 3.3Å; G137-L141 PolarHBondContact O-N 3.24Å; A138-L141 PolarHBondContact O-N 2.7Å; V139-L141 VanDerWaalsContact C-N 3.32Å; V139-L141 PolarHBondContact O-N 2.85Å; L141-A144 PolarHBondContact O-N 3Å; L141-L145 HydrophobicContact CG-CD1 4.08Å; L141-L145 WeakPolarHBondContact O-CB 3.33Å; L141-L145 WeakPolarHBondContact O-CD1 3.11Å; L141-L145 WeakPolarHBondContact O-CG 3.37Å; L141-L145 PolarHBondContact O-N 3.03Å; L141-Y160 HydrophobicContact CD1-CD2 3.54Å; L141-Y160 HydrophobicContact CD1-CE2 3.64Å; L141-Y160 HydrophobicContact CD1-CG 4.38Å; L141-V164 HydrophobicContact CD1-CG2 4.1Å; L141-L167 HydrophobicContact CD2-CD1 4.13Å |
| 142 | K | 58.5 | Low | 57.1 | Low | 160 Ų | 160 | 84.6 Ų | 84.6 | 70% | 0.696 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66 | -38.4 | 174.6 | -81.3 | -69.9 | -170.2 | 179.3 | 0 | 112.4 | A138 V139 L145 G146 | A138-K142 WeakPolarHBondContact O-CB 3.44Å; A138-K142 WeakPolarHBondContact O-CG 3.27Å; A138-K142 PolarHBondContact O-N 2.99Å; V139-K142 PolarHBondContact O-N 3.48Å; K142-L145 PolarHBondContact O-N 3.28Å; K142-G146 WeakPolarHBondContact O-CA 3.2Å; K142-G146 PolarHBondContact O-N 2.9Å |
| 143 | L | 61.1 | Low | 56.8 | Low | 85 Ų | 85 | 83.6 Ų | 83.6 | 45% | 0.445 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 174 | -72.5 | 167.4 | 0 | 0 | 0 | 111.3 | V139 L140 H147 M159 | V139-L143 HydrophobicContact CG1-CD1 3.97Å; V139-L143 WeakPolarHBondContact O-CB 3.29Å; V139-L143 VanDerWaalsContact O-CG 3.32Å; V139-L143 WeakPolarHBondContact O-CG 3.5Å; V139-L143 PolarHBondContact O-N 2.85Å; L140-L143 PolarHBondContact O-N 3.3Å; L143-H147 PolarHBondContact O-N 2.88Å; L143-H147 VanDerWaalsContact O-N 3.13Å; L143-M159 HydrophobicContact CB-CE 4.34Å |
| 144 | A | 59 | Low | 56.3 | Low | 10 Ų | 10 | 87.9 Ų | 87.9 | 8% | 0.083 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L140 L141 M159 | L140-A144 WeakPolarHBondContact O-CB 3.45Å; L140-A144 PolarHBondContact O-N 3.35Å; L141-A144 PolarHBondContact O-N 3Å; A144-M159 HydrophobicContact CB-CE 3.49Å; A144-M159 VanDerWaalsContact CB-CE 3.49Å |
| 145 | L | 62.8 | Low | 56 | Low | 114 Ų | 114 | 89.8 Ų | 89.8 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -80.1 | -29 | 179.4 | -73.1 | 161 | 0 | 0 | 0 | 113.1 | L141 K142 | L141-L145 HydrophobicContact CG-CD1 4.08Å; L141-L145 WeakPolarHBondContact O-CB 3.33Å; L141-L145 WeakPolarHBondContact O-CD1 3.11Å; L141-L145 WeakPolarHBondContact O-CG 3.37Å; L141-L145 PolarHBondContact O-N 3.03Å; K142-L145 PolarHBondContact O-N 3.28Å |
| 146 | G | 56.5 | Low | 55.7 | Low | 60 Ų | 60 | 90.6 Ų | 90.6 | 62% | 0.619 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -90.9 | -29.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K142 H148 | K142-G146 WeakPolarHBondContact O-CA 3.2Å; K142-G146 PolarHBondContact O-N 2.9Å; G146-H148 PolarHBondContact O-N 2.86Å |
| 147 | H | 53.6 | Low | 55.5 | Low | 122 Ų | 122 | 92.8 Ų | 92.8 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | trans | -91.5 | 89.1 | 176.8 | -93 | -76.9 | 0 | 0 | 0 | 111.2 | L143 M149 | L143-H147 PolarHBondContact O-N 2.88Å; L143-H147 VanDerWaalsContact O-N 3.13Å; H147-M149 PolarHBondContact O-N 3.43Å | ||
| 148 | H | 47 | Very low | 55.4 | Low | 193 Ų | 193 | 95.4 Ų | 95.4 | 89% | 0.894 | 54% | 0.542 | S | S | * | . | trans | -65.4 | 77.7 | 153.3 | -81.7 | -41.9 | 0 | 0 | 0 | 109.3 | G146 | G146-H148 PolarHBondContact O-N 2.86Š| ||
| 149 | M | 43.8 | Very low | 55.4 | Low | 142 Ų | 142 | 96 Ų | 96 | 70% | 0.7 | 54% | 0.539 | S | S | * | . | trans | -94.8 | 142.9 | 167.5 | -88.9 | -68.4 | -125.1 | 0 | 0 | 111.1 | H147 K151 | H147-M149 PolarHBondContact O-N 3.43Å; M149-K151 PolarHBondContact O-N 3.3Å | ||
| 150 | P | 45.8 | Very low | 55.5 | Low | 105 Ų | 105 | 97.6 Ų | 97.6 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -90.3 | 94.7 | -166.1 | 35 | -30.6 | 0 | 0 | 0 | 111.1 | ||
| 151 | K | 47.8 | Very low | 55.7 | Low | 197 Ų | 197 | 99.5 Ų | 99.5 | 86% | 0.857 | 55% | 0.547 | S | S | * | . | S | Bend | trans | 171.4 | 140.4 | 145.4 | -96.1 | 159.8 | -178.2 | 175.4 | 0 | 110.6 | M149 | M149-K151 PolarHBondContact O-N 3.3Š|
| 152 | P | 50.8 | Low | 55.6 | Low | 125 Ų | 125 | 99 Ų | 99 | 81% | 0.812 | 55% | 0.546 | S | S | * | . | trans | -112.4 | 145.4 | -133.9 | 26.7 | -10 | 0 | 0 | 0 | 114.1 | ||||
| 153 | G | 53.8 | Low | 55.8 | Low | 57 Ų | 57 | 91.4 Ų | 91.4 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 118.6 | -63 | 146.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 154 | V | 51.5 | Low | 56.1 | Low | 119 Ų | 119 | 90.1 Ų | 90.1 | 72% | 0.721 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -93 | -46.7 | -162.7 | -175.9 | 0 | 0 | 0 | 0 | 112.8 | L156 N157 D158 | V154-L156 PolarHBondContact O-N 2.87Å; V154-N157 PolarHBondContact O-N 2.93Å; V154-D158 PolarHBondContact O-N 3.29Å |
| 155 | A | 54.3 | Low | 56.3 | Low | 81 Ų | 81 | 93.5 Ų | 93.5 | 67% | 0.669 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.9 | -29.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M159 | A155-M159 WeakPolarHBondContact O-CB 3.38Å; A155-M159 PolarHBondContact O-N 2.96Å; A155-M159 VanDerWaalsContact O-N 3.1Å |
| 156 | L | 55.3 | Low | 56.2 | Low | 102 Ų | 102 | 89.5 Ų | 89.5 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.6 | -39.4 | 177.8 | -124 | 94.3 | 0 | 0 | 0 | 111.6 | V154 D158 Y160 | V154-L156 PolarHBondContact O-N 2.87Å; L156-D158 VanDerWaalsContact C-N 3.35Å; L156-Y160 WeakPolarHBondContact O-CB 3.39Å; L156-Y160 PolarHBondContact O-N 3.39Å |
| 157 | N | 58.4 | Low | 56.8 | Low | 98 Ų | 98 | 89.8 Ų | 89.8 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 179.3 | -160.2 | 26 | 0 | 0 | 0 | 110.2 | V154 Y160 I161 | V154-N157 PolarHBondContact O-N 2.93Å; N157-Y160 PolarHBondContact O-N 3.45Å; N157-I161 WeakPolarHBondContact O-CB 3.36Å; N157-I161 VanDerWaalsContact O-CD1 3.3Å; N157-I161 WeakPolarHBondContact O-CD1 3.46Å; N157-I161 WeakPolarHBondContact O-CG1 3.33Å; N157-I161 PolarHBondContact O-N 2.99Å |
| 158 | D | 60.1 | Low | 57.4 | Low | 54 Ų | 54 | 86.9 Ų | 86.9 | 29% | 0.289 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.8 | -41.4 | -178.7 | -137.2 | 1.5 | 0 | 0 | 0 | 112.7 | V154 L156 I161 S162 | V154-D158 PolarHBondContact O-N 3.29Å; L156-D158 VanDerWaalsContact C-N 3.35Å; D158-I161 PolarHBondContact O-N 2.86Å; D158-S162 WeakPolarHBondContact O-CB 3.49Å; D158-S162 PolarHBondContact O-N 3.35Å |
| 159 | M | 60.3 | Low | 58.2 | Low | 51 Ų | 51 | 79.5 Ų | 79.5 | 25% | 0.251 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.2 | -34.9 | 176 | -162.9 | 170.2 | 92.8 | 0 | 0 | 112.2 | M77 L143 A144 A155 G163 | M77-M159 HydrophobicContact CE-CG 3.79Å; M77-M159 HydrophobicContact CE-SD 3.91Å; M77-M159 HydrophobicContact SD-SD 4.29Å; L143-M159 HydrophobicContact CB-CE 4.34Å; A144-M159 HydrophobicContact CB-CE 3.49Å; A144-M159 VanDerWaalsContact CB-CE 3.49Å; A155-M159 WeakPolarHBondContact O-CB 3.38Å; A155-M159 PolarHBondContact O-N 2.96Å; A155-M159 VanDerWaalsContact O-N 3.1Å; M159-G163 PolarHBondContact O-N 2.85Å |
| 160 | Y | 63.1 | Low | 59.1 | Low | 113 Ų | 113 | 72.9 Ų | 72.9 | 44% | 0.443 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 173.7 | -177.9 | -96.1 | 0 | 0 | 0 | 111.6 | L141 L156 N157 G163 V164 | L141-Y160 HydrophobicContact CD1-CD2 3.54Å; L141-Y160 HydrophobicContact CD1-CE2 3.64Å; L141-Y160 HydrophobicContact CD1-CG 4.38Å; L156-Y160 WeakPolarHBondContact O-CB 3.39Å; L156-Y160 PolarHBondContact O-N 3.39Å; N157-Y160 PolarHBondContact O-N 3.45Å; Y160-G163 PolarHBondContact O-N 3.34Å; Y160-V164 HydrophobicContact CD1-CG2 4.13Å; Y160-V164 HydrophobicContact CE1-CG2 3.79Å; Y160-V164 HydrophobicContact CE2-CG2 4.37Å; Y160-V164 WeakPolarHBondContact O-CB 3.31Å; Y160-V164 VanDerWaalsContact O-CG2 3.29Å; Y160-V164 WeakPolarHBondContact O-CG2 3.48Å; Y160-V164 PolarHBondContact O-N 2.87Å |
| 161 | I | 63.6 | Low | 59.9 | Low | 69 Ų | 69 | 69 Ų | 69 | 35% | 0.354 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 177.1 | -69.6 | 161.2 | 0 | 0 | 0 | 110.3 | N157 D158 G163 V164 V165 | N157-I161 WeakPolarHBondContact O-CB 3.36Å; N157-I161 VanDerWaalsContact O-CD1 3.3Å; N157-I161 WeakPolarHBondContact O-CD1 3.46Å; N157-I161 WeakPolarHBondContact O-CG1 3.33Å; N157-I161 PolarHBondContact O-N 2.99Å; D158-I161 PolarHBondContact O-N 2.86Å; I161-G163 PolarHBondContact O-N 3.5Å; I161-V164 PolarHBondContact O-N 2.93Å; I161-V165 HydrophobicContact CG2-CG2 4.29Å; I161-V165 WeakPolarHBondContact O-CB 3.48Å; I161-V165 WeakPolarHBondContact O-CG2 3.39Å; I161-V165 PolarHBondContact O-N 3.29Å |
| 162 | S | 61.4 | Low | 60.7 | Low | 22 Ų | 22 | 63.1 Ų | 63.1 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | D158 V165 L166 | D158-S162 WeakPolarHBondContact O-CB 3.49Å; D158-S162 PolarHBondContact O-N 3.35Å; S162-V165 PolarHBondContact O-N 3.44Å; S162-L166 PolarHBondContact O-N 3.03Å |
| 163 | G | 62.6 | Low | 61.2 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M159 Y160 I161 L167 | M159-G163 PolarHBondContact O-N 2.85Å; Y160-G163 PolarHBondContact O-N 3.34Å; I161-G163 PolarHBondContact O-N 3.5Å; G163-L167 VanDerWaalsContact O-CB 3.24Å; G163-L167 WeakPolarHBondContact O-CB 3.48Å; G163-L167 PolarHBondContact O-N 2.9Å |
| 164 | V | 65.9 | Low | 61.8 | Low | 59 Ų | 59 | 57.5 Ų | 57.5 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66 | -42 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | L141 Y160 I161 L167 A168 | L141-V164 HydrophobicContact CD1-CG2 4.1Å; Y160-V164 HydrophobicContact CD1-CG2 4.13Å; Y160-V164 HydrophobicContact CE1-CG2 3.79Å; Y160-V164 HydrophobicContact CE2-CG2 4.37Å; Y160-V164 WeakPolarHBondContact O-CB 3.31Å; Y160-V164 VanDerWaalsContact O-CG2 3.29Å; Y160-V164 WeakPolarHBondContact O-CG2 3.48Å; Y160-V164 PolarHBondContact O-N 2.87Å; I161-V164 PolarHBondContact O-N 2.93Å; V164-L167 PolarHBondContact O-N 3.37Å; V164-A168 WeakPolarHBondContact O-CB 3.32Å; V164-A168 PolarHBondContact O-N 2.9Å |
| 165 | V | 64 | Low | 62.6 | Low | 80 Ų | 80 | 56.4 Ų | 56.4 | 49% | 0.485 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 178.1 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | I161 S162 G169 | I161-V165 HydrophobicContact CG2-CG2 4.29Å; I161-V165 WeakPolarHBondContact O-CB 3.48Å; I161-V165 WeakPolarHBondContact O-CG2 3.39Å; I161-V165 PolarHBondContact O-N 3.29Å; S162-V165 PolarHBondContact O-N 3.44Å; V165-G169 PolarHBondContact O-N 3.31Å |
| 166 | L | 61.6 | Low | 63.2 | Low | 31 Ų | 31 | 54.6 Ų | 54.6 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.4 | -107.9 | 94.1 | 0 | 0 | 0 | 112.1 | L133 C136 S162 G170 | L133-L166 HydrophobicContact CD2-CD2 4.48Å; C136-L166 HydrophobicContact CB-CD2 4.35Å; S162-L166 PolarHBondContact O-N 3.03Å; L166-G170 PolarHBondContact O-N 2.98Å |
| 167 | L | 67.6 | Low | 63.6 | Low | 66 Ų | 66 | 50.5 Ų | 50.5 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.1 | -41.6 | -178.3 | -160.9 | 156.2 | 0 | 0 | 0 | 111 | A138 L141 G163 V164 G171 | A138-L167 HydrophobicContact CB-CD1 4.41Å; L141-L167 HydrophobicContact CD2-CD1 4.13Å; G163-L167 VanDerWaalsContact O-CB 3.24Å; G163-L167 WeakPolarHBondContact O-CB 3.48Å; G163-L167 PolarHBondContact O-N 2.9Å; V164-L167 PolarHBondContact O-N 3.37Å; L167-G171 WeakPolarHBondContact O-CA 3.26Å; L167-G171 PolarHBondContact O-N 3.48Å |
| 168 | A | 67.6 | Low | 64 | Low | 60 Ų | 60 | 47.8 Ų | 47.8 | 50% | 0.496 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V164 S172 | V164-A168 WeakPolarHBondContact O-CB 3.32Å; V164-A168 PolarHBondContact O-N 2.9Å; A168-S172 VanDerWaalsContact O-CB 3.27Å; A168-S172 WeakPolarHBondContact O-CB 3.47Å; A168-S172 PolarHBondContact O-N 3.47Å; A168-S172 PolarHBondContact O-OG 3.15Å |
| 169 | G | 63.2 | Low | 64.4 | Low | 39 Ų | 39 | 49.3 Ų | 49.3 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -55 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V165 G171 S172 A173 | V165-G169 PolarHBondContact O-N 3.31Å; G169-G171 VanDerWaalsContact C-N 3.34Å; G169-G171 PolarHBondContact O-N 3.4Å; G169-S172 PolarHBondContact O-N 2.94Å; G169-S172 PolarHBondContact O-OG 3.35Å; G169-A173 PolarHBondContact O-N 3.41Å; G169-A173 VanDerWaalsContact O-N 3.09Å |
| 170 | G | 61.7 | Low | 64.6 | Low | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L166 A173 V174 | L166-G170 PolarHBondContact O-N 2.98Å; G170-A173 PolarHBondContact O-N 2.9Å; G170-V174 WeakPolarHBondContact O-CG2 3.45Å; G170-V174 PolarHBondContact O-N 2.99Å |
| 171 | G | 62.6 | Low | 64.6 | Low | 24 Ų | 24 | 49.4 Ų | 49.4 | 25% | 0.247 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L167 G169 A173 V174 V175 | L167-G171 WeakPolarHBondContact O-CA 3.26Å; L167-G171 PolarHBondContact O-N 3.48Å; G169-G171 VanDerWaalsContact C-N 3.34Å; G169-G171 PolarHBondContact O-N 3.4Å; G171-A173 VanDerWaalsContact C-N 3.29Å; G171-A173 PolarHBondContact O-N 3.02Å; G171-V174 PolarHBondContact O-N 3.38Å; G171-V175 WeakPolarHBondContact O-CB 3.22Å; G171-V175 VanDerWaalsContact O-CG2 3.25Å; G171-V175 WeakPolarHBondContact O-CG2 3.37Å; G171-V175 PolarHBondContact O-N 2.97Å |
| 172 | S | 66.4 | Low | 64.8 | Low | 73 Ų | 73 | 47.5 Ų | 47.5 | 51% | 0.51 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 176.7 | 72.5 | 0 | 0 | 0 | 0 | 112.3 | A168 G169 G176 | A168-S172 VanDerWaalsContact O-CB 3.27Å; A168-S172 WeakPolarHBondContact O-CB 3.47Å; A168-S172 PolarHBondContact O-N 3.47Å; A168-S172 PolarHBondContact O-OG 3.15Å; G169-S172 PolarHBondContact O-N 2.94Å; G169-S172 PolarHBondContact O-OG 3.35Å; S172-G176 PolarHBondContact O-N 2.84Å |
| 173 | A | 61.3 | Low | 65.1 | Low | 26 Ų | 26 | 50 Ų | 50 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G169 G170 G171 V175 G176 V177 | G169-A173 PolarHBondContact O-N 3.41Å; G169-A173 VanDerWaalsContact O-N 3.09Å; G170-A173 PolarHBondContact O-N 2.9Å; G171-A173 VanDerWaalsContact C-N 3.29Å; G171-A173 PolarHBondContact O-N 3.02Å; A173-V175 PolarHBondContact O-N 3.3Å; A173-G176 PolarHBondContact O-N 3.06Å; A173-V177 VanDerWaalsContact O-CG2 3.31Å; A173-V177 WeakPolarHBondContact O-CG2 3.34Å; A173-V177 PolarHBondContact O-N 3.28Å |
| 174 | V | 65.8 | Low | 65 | Low | 38 Ų | 38 | 52.7 Ų | 52.7 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.2 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | V134 G170 G171 G178 | V134-V174 HydrophobicContact CG2-CG2 4.44Å; G170-V174 WeakPolarHBondContact O-CG2 3.45Å; G170-V174 PolarHBondContact O-N 2.99Å; G171-V174 PolarHBondContact O-N 3.38Å; V174-G178 PolarHBondContact O-N 3.48Å |
| 175 | V | 68.9 | Low | 65 | Low | 96 Ų | 96 | 55.4 Ų | 55.4 | 58% | 0.582 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | G171 A173 V177 G178 V179 | G171-V175 WeakPolarHBondContact O-CB 3.22Å; G171-V175 VanDerWaalsContact O-CG2 3.25Å; G171-V175 WeakPolarHBondContact O-CG2 3.37Å; G171-V175 PolarHBondContact O-N 2.97Å; A173-V175 PolarHBondContact O-N 3.3Å; V175-V177 PolarHBondContact O-N 2.92Å; V175-G178 PolarHBondContact O-N 2.92Å; V175-V179 HydrophobicContact CG1-CG2 4.17Å; V175-V179 WeakPolarHBondContact O-CB 3.42Å; V175-V179 VanDerWaalsContact O-CG2 3.28Å; V175-V179 WeakPolarHBondContact O-CG2 3.29Å; V175-V179 PolarHBondContact O-N 3.02Å |
| 176 | G | 65.9 | Low | 65.3 | Low | 42 Ų | 42 | 56.7 Ų | 56.7 | 43% | 0.433 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S172 A173 V179 Y180 | S172-G176 PolarHBondContact O-N 2.84Å; A173-G176 PolarHBondContact O-N 3.06Å; G176-V179 PolarHBondContact O-N 3.17Å; G176-Y180 WeakPolarHBondContact O-CB 3.48Å; G176-Y180 PolarHBondContact O-N 3.3Å |
| 177 | V | 63.9 | Low | 65.6 | Low | 17 Ų | 17 | 59.7 Ų | 59.7 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 174 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | L123 V126 L127 A173 V175 V179 Y180 T181 | L123-V177 HydrophobicContact CD1-CG1 3.75Å; L123-V177 HydrophobicContact CG-CG1 4Å; V126-V177 HydrophobicContact CG1-CG2 3.69Å; L127-V177 HydrophobicContact CB-CG1 4.32Å; L127-V177 HydrophobicContact CD1-CG1 4.07Å; L127-V177 HydrophobicContact CG-CG1 4.22Å; A173-V177 VanDerWaalsContact O-CG2 3.31Å; A173-V177 WeakPolarHBondContact O-CG2 3.34Å; A173-V177 PolarHBondContact O-N 3.28Å; V175-V177 PolarHBondContact O-N 2.92Å; V177-V179 VanDerWaalsContact C-N 3.35Å; V177-V179 PolarHBondContact O-N 3.38Å; V177-Y180 WeakPolarHBondContact O-CB 3.43Å; V177-Y180 PolarHBondContact O-N 3.46Å; V177-T181 PolarHBondContact O-N 3.42Å; V177-T181 PolarHBondContact O-OG1 3.29Å |
| 178 | G | 66.5 | Low | 65.3 | Low | 40 Ų | 40 | 63.1 Ų | 63.1 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V174 V175 G182 | V174-G178 PolarHBondContact O-N 3.48Å; V175-G178 PolarHBondContact O-N 2.92Å; G178-G182 PolarHBondContact O-N 3.03Å |
| 179 | V | 69.4 | Low | 65 | Low | 87 Ų | 87 | 69 Ų | 69 | 53% | 0.527 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | V175 G176 V177 T181 G182 V183 | V175-V179 HydrophobicContact CG1-CG2 4.17Å; V175-V179 WeakPolarHBondContact O-CB 3.42Å; V175-V179 VanDerWaalsContact O-CG2 3.28Å; V175-V179 WeakPolarHBondContact O-CG2 3.29Å; V175-V179 PolarHBondContact O-N 3.02Å; G176-V179 PolarHBondContact O-N 3.17Å; V177-V179 VanDerWaalsContact C-N 3.35Å; V177-V179 PolarHBondContact O-N 3.38Å; V179-T181 PolarHBondContact O-N 2.95Å; V179-G182 PolarHBondContact O-N 3.43Å; V179-V183 HydrophobicContact CG1-CG2 4.18Å; V179-V183 WeakPolarHBondContact O-CB 3.41Å; V179-V183 VanDerWaalsContact O-CG2 3.24Å; V179-V183 WeakPolarHBondContact O-CG2 3.45Å; V179-V183 PolarHBondContact O-N 3.03Å |
| 180 | Y | 63.6 | Low | 64.7 | Low | 111 Ų | 111 | 71.9 Ų | 71.9 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 176.5 | 178.2 | -100.8 | 0 | 0 | 0 | 111.7 | L123 G176 V177 G182 V183 V184 | L123-Y180 HydrophobicContact CD1-CD1 4.18Å; G176-Y180 WeakPolarHBondContact O-CB 3.48Å; G176-Y180 PolarHBondContact O-N 3.3Å; V177-Y180 WeakPolarHBondContact O-CB 3.43Å; V177-Y180 PolarHBondContact O-N 3.46Å; Y180-G182 VanDerWaalsContact C-N 3.32Å; Y180-G182 PolarHBondContact O-N 3.4Å; Y180-V183 PolarHBondContact O-N 3.26Å; Y180-V184 HydrophobicContact CD1-CG2 4.49Å; Y180-V184 HydrophobicContact CE1-CG2 4.15Å; Y180-V184 HydrophobicContact CE2-CG2 4.24Å; Y180-V184 WeakPolarHBondContact O-CG2 3.27Å; Y180-V184 PolarHBondContact O-N 3.49Å |
| 181 | T | 63.4 | Low | 64.4 | Low | 55 Ų | 55 | 76.6 Ų | 76.6 | 34% | 0.337 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.3 | -34.4 | 0 | 0 | 0 | 0 | 111.5 | L123 V177 V179 V184 F185 | L123-T181 HydrophobicContact CD2-CG2 3.92Å; V177-T181 PolarHBondContact O-N 3.42Å; V177-T181 PolarHBondContact O-OG1 3.29Å; V179-T181 PolarHBondContact O-N 2.95Å; T181-V184 PolarHBondContact O-N 2.88Å; T181-F185 VanDerWaalsContact O-CB 3.28Å; T181-F185 WeakPolarHBondContact O-CB 3.49Å; T181-F185 PolarHBondContact O-N 3.1Å |
| 182 | G | 67.8 | Low | 63.8 | Low | 29 Ų | 29 | 80.6 Ų | 80.6 | 30% | 0.299 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G178 V179 Y180 F185 L186 | G178-G182 PolarHBondContact O-N 3.03Å; V179-G182 PolarHBondContact O-N 3.43Å; Y180-G182 VanDerWaalsContact C-N 3.32Å; Y180-G182 PolarHBondContact O-N 3.4Å; G182-F185 PolarHBondContact O-N 2.98Å; G182-L186 VanDerWaalsContact O-CB 3.25Å; G182-L186 WeakPolarHBondContact O-CB 3.26Å; G182-L186 WeakPolarHBondContact O-CD1 3.49Å; G182-L186 WeakPolarHBondContact O-CG 3.48Å; G182-L186 PolarHBondContact O-N 3.33Å |
| 183 | V | 66.8 | Low | 62.9 | Low | 73 Ų | 73 | 79.4 Ų | 79.4 | 44% | 0.442 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 177.6 | 169.5 | 0 | 0 | 0 | 0 | 111 | V179 Y180 L186 L187 | V179-V183 HydrophobicContact CG1-CG2 4.18Å; V179-V183 WeakPolarHBondContact O-CB 3.41Å; V179-V183 VanDerWaalsContact O-CG2 3.24Å; V179-V183 WeakPolarHBondContact O-CG2 3.45Å; V179-V183 PolarHBondContact O-N 3.03Å; Y180-V183 PolarHBondContact O-N 3.26Å; V183-L186 PolarHBondContact O-N 2.91Å; V183-L187 WeakPolarHBondContact O-CB 3.29Å; V183-L187 PolarHBondContact O-N 3.16Å |
| 184 | V | 62.3 | Low | 62.4 | Low | 58 Ų | 58 | 82.1 Ų | 82.1 | 35% | 0.352 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | Y180 T181 L186 L187 E188 | Y180-V184 HydrophobicContact CD1-CG2 4.49Å; Y180-V184 HydrophobicContact CE1-CG2 4.15Å; Y180-V184 HydrophobicContact CE2-CG2 4.24Å; Y180-V184 WeakPolarHBondContact O-CG2 3.27Å; Y180-V184 PolarHBondContact O-N 3.49Å; T181-V184 PolarHBondContact O-N 2.88Å; V184-L186 PolarHBondContact O-N 3.13Å; V184-L187 PolarHBondContact O-N 3.38Å; V184-E188 WeakPolarHBondContact O-CG 3.45Å; V184-E188 PolarHBondContact O-N 3.04Å |
| 185 | F | 64.8 | Low | 61.7 | Low | 116 Ų | 116 | 91.1 Ų | 91.1 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 178 | -174.9 | -101.7 | 0 | 0 | 0 | 112.2 | T181 G182 E188 R189 | T181-F185 VanDerWaalsContact O-CB 3.28Å; T181-F185 WeakPolarHBondContact O-CB 3.49Å; T181-F185 PolarHBondContact O-N 3.1Å; G182-F185 PolarHBondContact O-N 2.98Å; F185-E188 PolarHBondContact O-N 3.44Å; F185-R189 WeakPolarHBondContact O-CB 3.36Å; F185-R189 PolarHBondContact O-N 3.36Å |
| 186 | L | 70.9 | Confident | 60.8 | Low | 106 Ų | 106 | 94.1 Ų | 94.1 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | 175.4 | -85.6 | 153.7 | 0 | 0 | 0 | 111.7 | G182 V183 V184 R189 T190 | G182-L186 VanDerWaalsContact O-CB 3.25Å; G182-L186 WeakPolarHBondContact O-CB 3.26Å; G182-L186 WeakPolarHBondContact O-CD1 3.49Å; G182-L186 WeakPolarHBondContact O-CG 3.48Å; G182-L186 PolarHBondContact O-N 3.33Å; V183-L186 PolarHBondContact O-N 2.91Å; V184-L186 PolarHBondContact O-N 3.13Å; L186-R189 PolarHBondContact O-N 3.07Å; L186-T190 WeakPolarHBondContact O-CB 3.49Å; L186-T190 WeakPolarHBondContact O-CG2 3.28Å; L186-T190 PolarHBondContact O-N 2.91Å; L186-T190 PolarHBondContact O-OG1 2.91Å |
| 187 | L | 66.8 | Low | 60 | Low | 95 Ų | 95 | 97.6 Ų | 97.6 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 173.9 | -117.9 | 67.4 | 0 | 0 | 0 | 110.8 | V183 V184 R189 T190 W191 | V183-L187 WeakPolarHBondContact O-CB 3.29Å; V183-L187 PolarHBondContact O-N 3.16Å; V184-L187 PolarHBondContact O-N 3.38Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 2.91Å; L187-T190 WeakPolarHBondContact CA-OG1 3.5Å; L187-T190 PolarHBondContact O-N 3.36Å; L187-T190 PolarHBondContact O-OG1 2.87Å; L187-W191 VanDerWaalsContact O-CB 3.25Å; L187-W191 WeakPolarHBondContact O-CB 3.37Å; L187-W191 VanDerWaalsContact O-CD1 3.28Å; L187-W191 PolarHBondContact O-N 3.06Å |
| 188 | E | 61.9 | Low | 59.4 | Low | 137 Ų | 137 | 102.5 Ų | 102.5 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.1 | -38.7 | 176 | -74.1 | -175.2 | 163.1 | 0 | 0 | 112.1 | V184 F185 | V184-E188 WeakPolarHBondContact O-CG 3.45Å; V184-E188 PolarHBondContact O-N 3.04Å; F185-E188 PolarHBondContact O-N 3.44Å |
| 189 | R | 60.9 | Low | 58.7 | Low | 185 Ų | 185 | 109.7 Ų | 109.7 | 70% | 0.698 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.9 | -28.9 | 178.8 | -129.7 | -176.5 | -170.1 | -165 | 3.3 | 113.9 | F185 L186 L187 P192 | F185-R189 WeakPolarHBondContact O-CB 3.36Å; F185-R189 PolarHBondContact O-N 3.36Å; L186-R189 PolarHBondContact O-N 3.07Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 2.91Å; R189-P192 VanDerWaalsContact O-CD 3.23Å; R189-P192 WeakPolarHBondContact O-CD 3.4Å |
| 190 | T | 58.1 | Low | 57.6 | Low | 99 Ų | 99 | 107.6 Ų | 107.6 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -88.6 | -18.7 | 177.7 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | L186 L187 P192 | L186-T190 WeakPolarHBondContact O-CB 3.49Å; L186-T190 WeakPolarHBondContact O-CG2 3.28Å; L186-T190 PolarHBondContact O-N 2.91Å; L186-T190 PolarHBondContact O-OG1 2.91Å; L187-T190 WeakPolarHBondContact CA-OG1 3.5Å; L187-T190 PolarHBondContact O-N 3.36Å; L187-T190 PolarHBondContact O-OG1 2.87Å; T190-P192 WeakPolarHBondContact O-CD 3.41Å |
| 191 | W | 53.8 | Low | 56.9 | Low | 101 Ų | 101 | 108.1 Ų | 108.1 | 38% | 0.383 | 53% | 0.534 | S | S | . | . | trans | -104.5 | 40.1 | 177.1 | -75.5 | 85.8 | 0 | 0 | 0 | 117.4 | L187 G193 Q194 | L187-W191 VanDerWaalsContact O-CB 3.25Å; L187-W191 WeakPolarHBondContact O-CB 3.37Å; L187-W191 VanDerWaalsContact O-CD1 3.28Å; L187-W191 PolarHBondContact O-N 3.06Å; W191-G193 PolarHBondContact O-N 3.2Å; W191-G193 VanDerWaalsContact O-N 3.1Å; W191-Q194 HydrophobicContact CB-CB 4.44Å; W191-Q194 HydrophobicContact CD2-CB 4.28Å; W191-Q194 HydrophobicContact CD2-CG 4.27Å; W191-Q194 HydrophobicContact CE3-CB 3.34Å; W191-Q194 HydrophobicContact CE3-CG 3.28Å; W191-Q194 HydrophobicContact CH2-CG 4.4Å; W191-Q194 HydrophobicContact CZ3-CB 3.9Å; W191-Q194 HydrophobicContact CZ3-CG 3.34Å; W191-Q194 PolarHBondContact O-N 2.91Å | ||
| 192 | P | 49.8 | Very low | 56.1 | Low | 108 Ų | 108 | 106.8 Ų | 106.8 | 70% | 0.701 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -17 | 159.4 | -18.7 | 30.2 | 0 | 0 | 0 | 112.7 | R189 T190 | R189-P192 VanDerWaalsContact O-CD 3.23Å; R189-P192 WeakPolarHBondContact O-CD 3.4Å; T190-P192 WeakPolarHBondContact O-CD 3.41Å |
| 193 | G | 47.7 | Very low | 55.2 | Low | 48 Ų | 48 | 109.9 Ų | 109.9 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | W191 R195 F196 | W191-G193 PolarHBondContact O-N 3.2Å; W191-G193 VanDerWaalsContact O-N 3.1Å; G193-R195 VanDerWaalsContact C-N 3.29Å; G193-R195 PolarHBondContact O-N 3.39Å; G193-F196 PolarHBondContact O-N 3.49Å |
| 194 | Q | 50.8 | Low | 54.2 | Low | 83 Ų | 83 | 114.9 Ų | 114.9 | 39% | 0.388 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | -15.4 | -172.6 | -145.5 | 155.2 | -9.6 | 0 | 0 | 114.9 | W191 F196 R197 | W191-Q194 HydrophobicContact CB-CB 4.44Å; W191-Q194 HydrophobicContact CD2-CB 4.28Å; W191-Q194 HydrophobicContact CD2-CG 4.27Å; W191-Q194 HydrophobicContact CE3-CB 3.34Å; W191-Q194 HydrophobicContact CE3-CG 3.28Å; W191-Q194 HydrophobicContact CH2-CG 4.4Å; W191-Q194 HydrophobicContact CZ3-CB 3.9Å; W191-Q194 HydrophobicContact CZ3-CG 3.34Å; W191-Q194 PolarHBondContact O-N 2.91Å; Q194-F196 PolarHBondContact O-N 3.33Å; Q194-F196 VanDerWaalsContact O-N 3.14Å; Q194-R197 HydrophobicContact CG-CB 4.45Å; Q194-R197 PolarHBondContact O-N 3.15Å |
| 195 | R | 52.3 | Low | 53.4 | Low | 227 Ų | 227 | 117.8 Ų | 117.8 | 86% | 0.857 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.4 | -21.5 | 171.3 | -99.3 | -176.4 | 177.2 | -177.3 | -0.4 | 113.1 | G193 | G193-R195 VanDerWaalsContact C-N 3.29Å; G193-R195 PolarHBondContact O-N 3.39Å |
| 196 | F | 49.8 | Very low | 52.5 | Low | 160 Ų | 160 | 118.4 Ų | 118.4 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -81.2 | -24.9 | 175.6 | -98.5 | -87.3 | 0 | 0 | 0 | 113.7 | G193 Q194 R199 A200 | G193-F196 PolarHBondContact O-N 3.49Å; Q194-F196 PolarHBondContact O-N 3.33Å; Q194-F196 VanDerWaalsContact O-N 3.14Å; F196-R199 PolarHBondContact O-N 3.35Å; F196-A200 WeakPolarHBondContact O-CB 3.31Å; F196-A200 PolarHBondContact O-N 2.9Å |
| 197 | R | 48.5 | Very low | 51.4 | Low | 115 Ų | 115 | 119 Ų | 119 | 43% | 0.434 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -79 | -34.6 | -175.6 | -163.8 | 159 | 66.6 | 168.3 | 0.4 | 112.6 | Q194 R199 A200 M201 | Q194-R197 HydrophobicContact CG-CB 4.45Å; Q194-R197 PolarHBondContact O-N 3.15Å; R197-R199 VanDerWaalsContact C-N 3.32Å; R197-A200 PolarHBondContact O-N 2.87Å; R197-M201 HydrophobicContact CG-CE 4.09Å; R197-M201 WeakPolarHBondContact O-CG 3.41Å; R197-M201 PolarHBondContact O-N 2.94Å |
| 198 | D | 50.8 | Low | 50.4 | Low | 119 Ų | 119 | 118.2 Ų | 118.2 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.9 | -32.9 | 169.6 | -85.1 | -23.9 | 0 | 0 | 0 | 112 | G202 | D198-G202 PolarHBondContact O-N 3.31Å |
| 199 | R | 52 | Low | 49.7 | Very low | 191 Ų | 191 | 123.5 Ų | 123.5 | 72% | 0.721 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.4 | -36 | 173.2 | -134.8 | 175.2 | -165.6 | 166.3 | 3.1 | 112 | F196 R197 V203 | F196-R199 PolarHBondContact O-N 3.35Å; R197-R199 VanDerWaalsContact C-N 3.32Å; R199-V203 WeakPolarHBondContact O-CB 3.2Å; R199-V203 WeakPolarHBondContact O-CG2 3.33Å; R199-V203 PolarHBondContact O-N 3.1Å |
| 200 | A | 47.8 | Very low | 48.8 | Very low | 44 Ų | 44 | 122.6 Ų | 122.6 | 36% | 0.364 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.8 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F196 R197 G202 V203 F204 | F196-A200 WeakPolarHBondContact O-CB 3.31Å; F196-A200 PolarHBondContact O-N 2.9Å; R197-A200 PolarHBondContact O-N 2.87Å; A200-G202 VanDerWaalsContact C-N 3.35Å; A200-V203 PolarHBondContact O-N 3.41Å; A200-V203 VanDerWaalsContact O-N 3.12Å; A200-F204 VanDerWaalsContact O-CD2 3.29Å; A200-F204 WeakPolarHBondContact O-CD2 2.92Å; A200-F204 PolarHBondContact O-N 2.79Å |
| 201 | M | 47.4 | Very low | 48.1 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72 | -27.9 | 176 | -67.8 | -169.5 | -176.1 | 0 | 0 | 112.8 | R197 T205 | R197-M201 HydrophobicContact CG-CE 4.09Å; R197-M201 WeakPolarHBondContact O-CG 3.41Å; R197-M201 PolarHBondContact O-N 2.94Å; M201-T205 PolarHBondContact O-N 3Å; M201-T205 PolarHBondContact O-OG1 3.06Å |
| 202 | G | 47.3 | Very low | 47.8 | Very low | 27 Ų | 27 | 129.5 Ų | 129.5 | 28% | 0.278 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -71.2 | -26.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D198 A200 I206 | D198-G202 PolarHBondContact O-N 3.31Å; A200-G202 VanDerWaalsContact C-N 3.35Å; G202-I206 WeakPolarHBondContact O-CD1 3.31Å; G202-I206 VanDerWaalsContact O-CG1 3.26Å; G202-I206 WeakPolarHBondContact O-CG1 3.04Å; G202-I206 PolarHBondContact O-N 3.46Å |
| 203 | V | 48.9 | Very low | 47.6 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -78.8 | -31.9 | 175.3 | 164.9 | 0 | 0 | 0 | 0 | 111.9 | R199 A200 | R199-V203 WeakPolarHBondContact O-CB 3.2Å; R199-V203 WeakPolarHBondContact O-CG2 3.33Å; R199-V203 PolarHBondContact O-N 3.1Å; A200-V203 PolarHBondContact O-N 3.41Å; A200-V203 VanDerWaalsContact O-N 3.12Å |
| 204 | F | 46.3 | Very low | 47.4 | Very low | 178 Ų | 178 | 135 Ų | 135 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -81.9 | -8.6 | 175.9 | -79.7 | -77.6 | 0 | 0 | 0 | 114.8 | A200 | A200-F204 VanDerWaalsContact O-CD2 3.29Å; A200-F204 WeakPolarHBondContact O-CD2 2.92Å; A200-F204 PolarHBondContact O-N 2.79Å |
| 205 | T | 44.3 | Very low | 47.1 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -108.7 | -3.3 | 175.4 | 46.9 | 0 | 0 | 0 | 0 | 114.1 | M201 | M201-T205 PolarHBondContact O-N 3Å; M201-T205 PolarHBondContact O-OG1 3.06Å |
| 206 | I | 46.2 | Very low | 46.7 | Very low | 130 Ų | 130 | 141 Ų | 141 | 67% | 0.667 | 71% | 0.712 | S | S | * | * | trans | -102.9 | 71.7 | 169.4 | -59.7 | 167.4 | 0 | 0 | 0 | 108.5 | G202 | G202-I206 WeakPolarHBondContact O-CD1 3.31Å; G202-I206 VanDerWaalsContact O-CG1 3.26Å; G202-I206 WeakPolarHBondContact O-CG1 3.04Å; G202-I206 PolarHBondContact O-N 3.46Å | ||
| 207 | S | 47.9 | Very low | 46.4 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -139.7 | 10.3 | 163.4 | -77.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 208 | G | 46.7 | Very low | 46.1 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -111.9 | -2.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 209 | R | 46.9 | Very low | 45.4 | Very low | 248 Ų | 248 | 143.3 Ų | 143.3 | 94% | 0.936 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -136 | 24.2 | -168.9 | -132.4 | -174.1 | -166.1 | -177 | 4.7 | 116.6 | ||
| 210 | H | 42.6 | Very low | 44.8 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -125.4 | 58 | 176.4 | -154.7 | -60.6 | 0 | 0 | 0 | 111.6 | ||||
| 211 | M | 43.3 | Very low | 44.5 | Very low | 187 Ų | 187 | 142.3 Ų | 142.3 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -137.7 | 28.2 | 173 | -105.6 | -170.7 | 82.3 | 0 | 0 | 113.7 | ||
| 212 | D | 47.5 | Very low | 44.2 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -147.5 | 35.4 | 175 | -140.5 | 4.8 | 0 | 0 | 0 | 115.6 | ||
| 213 | Q | 45.8 | Very low | 44.2 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -139.6 | 47.9 | 174.8 | -150.4 | 147.5 | -0.7 | 0 | 0 | 111.6 | ||
| 214 | G | 43.4 | Very low | 43.6 | Very low | 83 Ų | 83 | 149.3 Ų | 149.3 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -125.8 | 15.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 215 | R | 44.5 | Very low | 43.3 | Very low | 216 Ų | 216 | 147.8 Ų | 147.8 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -140.2 | 87.8 | -174.8 | -164.5 | 165 | -170.1 | -172.3 | 2.7 | 112.6 | ||
| 216 | R | 42.9 | Very low | 43.3 | Very low | 220 Ų | 220 | 153.8 Ų | 153.8 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | 135.3 | 75.2 | 141.2 | -77.3 | 166.3 | 170.3 | 176.3 | -2.6 | 112.4 | ||||
| 217 | E | 42.5 | Very low | 43.2 | Very low | 188 Ų | 188 | 155 Ų | 155 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | trans | -142.2 | 101.5 | 143.8 | -70.8 | -160 | -177.7 | 0 | 0 | 108.6 | ||||
| 218 | T | 42.3 | Very low | 42.9 | Very low | 132 Ų | 132 | 156.8 Ų | 156.8 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | 161.1 | 122.5 | 167.9 | 33.3 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 219 | T | 38 | Very low | 42.7 | Very low | 122 Ų | 122 | 161.3 Ų | 161.3 | 75% | 0.748 | 84% | 0.841 | S | S | * | * | cis | -173 | 149 | 26.8 | 19.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 220 | S | 37.9 | Very low | 42.5 | Very low | 109 Ų | 109 | 156.2 Ų | 156.2 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | trans | 55.1 | 117.2 | 145.1 | 65.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 221 | S | 41.1 | Very low | 42.5 | Very low | 105 Ų | 105 | 155.6 Ų | 155.6 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | 156.9 | 143.9 | 100.4 | -156.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 222 | L | 41.6 | Very low | 42.4 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | trans | 74.3 | 104.1 | 169.7 | -51.9 | 178.6 | 0 | 0 | 0 | 115 | ||||
| 223 | A | 46.9 | Very low | 42.1 | Very low | 89 Ų | 89 | 153.1 Ų | 153.1 | 74% | 0.736 | 83% | 0.833 | S | S | * | * | cis | 52.4 | 112.9 | 35.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 224 | N | 37.8 | Very low | 41.8 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 78% | 0.781 | 83% | 0.829 | S | S | * | * | trans | 93.6 | 108.9 | 149.9 | -119.2 | 20.6 | 0 | 0 | 0 | 119.7 | ||||
| 225 | L | 40 | Very low | 41.7 | Very low | 147 Ų | 147 | 156 Ų | 156 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | 41.1 | 117.9 | 135.7 | -85.5 | 118.7 | 0 | 0 | 0 | 119.6 | ||||
| 226 | I | 44.5 | Very low | 41.4 | Very low | 243 Ų | 243 | 150.5 Ų | 150.5 | 100% | 1.246 | 83% | 0.828 | S | S | * | * | -155.3 | 0 | 110.8 | -93.1 | 153.5 | 0 | 0 | 0 | 108.3 |
Retrieved 226 of 226 residues in 516.1 ms
(Link to these results)