| 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 | 46 | Very low | 45.5 | Very low | 240 Ų | 240 | 158.3 Ų | 158.3 | 100% | 1.182 | 85% | 0.847 | S | S | * | * | 0 | 108.1 | 0 | -63.9 | 179 | -168.2 | 0 | 0 | 107.2 | |||||
| 2 | M | 45 | Very low | 45.2 | Very low | 191 Ų | 191 | 159.8 Ų | 159.8 | 94% | 0.941 | 85% | 0.845 | S | S | * | * | trans | -171.5 | 119.2 | 159.4 | -99.4 | 152.9 | -177.7 | 0 | 0 | 105.5 | ||||
| 3 | D | 44 | Very low | 45.5 | Very low | 157 Ų | 157 | 157.4 Ų | 157.4 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | trans | -63.5 | 125.5 | -170.6 | -66.6 | -71.1 | 0 | 0 | 0 | 113.1 | S5 | D3-S5 PolarHBondContact O-N 3.23Š| ||
| 4 | A | 46.8 | Very low | 45.2 | Very low | 107 Ų | 107 | 157.6 Ų | 157.6 | 88% | 0.884 | 83% | 0.834 | S | S | * | * | trans | -77.1 | 79.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | S6 | A4-S6 PolarHBondContact O-N 3.45Š| ||
| 5 | S | 49.8 | Very low | 45.4 | Very low | 106 Ų | 106 | 160 Ų | 160 | 74% | 0.741 | 83% | 0.834 | S | S | * | * | trans | -58.2 | 118.3 | 166.1 | -87.2 | 0 | 0 | 0 | 0 | 110.4 | D3 | D3-S5 PolarHBondContact O-N 3.23Š| ||
| 6 | S | 50 | Low | 45.5 | Very low | 92 Ų | 92 | 157.3 Ų | 157.3 | 64% | 0.643 | 83% | 0.826 | S | S | * | * | 62.9 | 67.5 | 128.8 | -174.7 | 0 | 0 | 0 | 0 | 117.1 | A4 K8 | A4-S6 PolarHBondContact O-N 3.45Å; S6-K8 PolarHBondContact O-N 3.24Å; S6-K8 VanDerWaalsContact O-N 3.15Å | |||
| 7 | E | 43.9 | Very low | 45.8 | Very low | 192 Ų | 192 | 156 Ų | 156 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -80.7 | 69.6 | 144.9 | -76.9 | 176.1 | 115.7 | 0 | 0 | 109.2 | S9 | E7-S9 PolarHBondContact O-N 3.38Š| ||
| 8 | K | 44.2 | Very low | 46.4 | Very low | 189 Ų | 189 | 153.6 Ų | 153.6 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -66.5 | 93.5 | 158.3 | -100.5 | 178.9 | 178.4 | 175.7 | 0 | 106.6 | S6 R10 | S6-K8 PolarHBondContact O-N 3.24Å; S6-K8 VanDerWaalsContact O-N 3.15Å; K8-R10 PolarHBondContact O-N 3.44Å | ||
| 9 | S | 43.6 | Very low | 47.3 | Very low | 102 Ų | 102 | 149.7 Ų | 149.7 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -49.4 | 112.7 | 176.2 | -42.8 | 0 | 0 | 0 | 0 | 109.1 | E7 V11 | E7-S9 PolarHBondContact O-N 3.38Å; S9-V11 PolarHBondContact O-N 3.5Å | ||
| 10 | R | 43.1 | Very low | 48.1 | Very low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -61.6 | 88.5 | 162.7 | -77.2 | 166 | 82.1 | 151.2 | -0.1 | 106.3 | K8 H12 | K8-R10 PolarHBondContact O-N 3.44Å; R10-H12 VanDerWaalsContact C-N 3.32Å; R10-H12 PolarHBondContact O-N 2.97Å | ||
| 11 | V | 43.9 | Very low | 48.9 | Very low | 122 Ų | 122 | 144 Ų | 144 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -61.9 | 104.8 | 165.5 | 179.9 | 0 | 0 | 0 | 0 | 105.4 | S9 V13 | S9-V11 PolarHBondContact O-N 3.5Å; V11-V13 PolarHBondContact O-N 2.94Å | ||
| 12 | H | 42.4 | Very low | 49.9 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | trans | -54.5 | 112 | 168 | -132.1 | 27.1 | 0 | 0 | 0 | 105.5 | R10 E14 | R10-H12 VanDerWaalsContact C-N 3.32Å; R10-H12 PolarHBondContact O-N 2.97Å; H12-E14 PolarHBondContact O-N 3.45Å | ||
| 13 | V | 48.4 | Very low | 51.4 | Low | 129 Ų | 129 | 130.9 Ų | 130.9 | 78% | 0.782 | 73% | 0.725 | S | S | * | * | trans | -71.6 | 78.3 | 168.5 | -179 | 0 | 0 | 0 | 0 | 105.3 | V11 K15 | V11-V13 PolarHBondContact O-N 2.94Å; V13-K15 PolarHBondContact O-N 3.35Å; V13-K15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | E | 41.5 | Very low | 53.5 | Low | 161 Ų | 161 | 126.7 Ų | 126.7 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | trans | -52.4 | 120.1 | 162.4 | -174.3 | 162.1 | 165.2 | 0 | 0 | 105.4 | H12 T16 | H12-E14 PolarHBondContact O-N 3.45Å; E14-T16 PolarHBondContact O-N 2.9Å; E14-T16 PolarHBondContact O-OG1 3.49Å | ||
| 15 | K | 48.8 | Very low | 55.5 | Low | 193 Ų | 193 | 123.3 Ų | 123.3 | 84% | 0.839 | 67% | 0.672 | S | S | * | * | trans | -60.8 | 86.9 | 179.4 | -71.1 | 172.7 | -178.1 | 170.3 | 0 | 106.4 | V13 V17 | V13-K15 PolarHBondContact O-N 3.35Å; V13-K15 VanDerWaalsContact O-N 3.14Å; K15-V17 PolarHBondContact O-N 3.23Å | ||
| 16 | T | 47.2 | Very low | 57.4 | Low | 116 Ų | 116 | 124.3 Ų | 124.3 | 71% | 0.712 | 67% | 0.669 | S | S | * | * | trans | -59.1 | 110.5 | -179.2 | -16.3 | 0 | 0 | 0 | 0 | 104.2 | E14 L18 | E14-T16 PolarHBondContact O-N 2.9Å; E14-T16 PolarHBondContact O-OG1 3.49Å; T16-L18 PolarHBondContact O-N 3.43Å | ||
| 17 | V | 49.4 | Very low | 59.3 | Low | 136 Ų | 136 | 121.6 Ų | 121.6 | 82% | 0.824 | 65% | 0.647 | S | S | * | * | trans | -61.4 | 97.3 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 103.8 | K15 | K15-V17 PolarHBondContact O-N 3.23Š| ||
| 18 | L | 58.3 | Low | 61.5 | Low | 112 Ų | 112 | 118.6 Ų | 118.6 | 59% | 0.586 | 64% | 0.637 | S | S | * | * | trans | -50.5 | 131.4 | 178.1 | -74.7 | 171.9 | 0 | 0 | 0 | 106.8 | T16 A20 L22 | T16-L18 PolarHBondContact O-N 3.43Å; L18-A20 PolarHBondContact O-N 3.1Å; L18-L22 HydrophobicContact CB-CD1 4.01Å; L18-L22 HydrophobicContact CD2-CD1 3.8Å; L18-L22 HydrophobicContact CG-CD1 4.38Å | ||
| 19 | P | 62.8 | Low | 63.9 | Low | 81 Ų | 81 | 112.9 Ų | 112.9 | 53% | 0.526 | 62% | 0.621 | S | S | . | * | trans | -49.4 | 134 | -178.5 | 6.6 | -18.6 | 0 | 0 | 0 | 109.3 | S21 L22 | P19-S21 PolarHBondContact O-N 3.04Å; P19-L22 HydrophobicContact CG-CD1 4.04Å; P19-L22 HydrophobicContact CG-CG 4.14Å; P19-L22 WeakPolarHBondContact O-CB 3.3Å; P19-L22 PolarHBondContact O-N 3.31Å | ||
| 20 | A | 62.6 | Low | 66.3 | Low | 95 Ų | 95 | 110 Ų | 110 | 79% | 0.785 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -52.5 | -26.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L18 L22 N23 | L18-A20 PolarHBondContact O-N 3.1Å; A20-L22 PolarHBondContact O-N 2.93Å; A20-N23 PolarHBondContact O-N 3.5Å |
| 21 | S | 65.6 | Low | 68.7 | Low | 83 Ų | 83 | 102.8 Ų | 102.8 | 58% | 0.58 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -57.5 | -26.8 | 173.9 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | P19 N23 D24 | P19-S21 PolarHBondContact O-N 3.04Å; S21-N23 PolarHBondContact O-N 3.37Å; S21-D24 PolarHBondContact O-N 2.8Å |
| 22 | L | 67.2 | Low | 71.1 | Confident | 46 Ų | 46 | 103.9 Ų | 103.9 | 24% | 0.241 | 57% | 0.566 | C | S | . | * | G | 310 helix | trans | -71.6 | -15.3 | -179.5 | -67.4 | -174.4 | 0 | 0 | 0 | 113.6 | L18 P19 A20 R31 | L18-L22 HydrophobicContact CB-CD1 4.01Å; L18-L22 HydrophobicContact CD2-CD1 3.8Å; L18-L22 HydrophobicContact CG-CD1 4.38Å; P19-L22 HydrophobicContact CG-CD1 4.04Å; P19-L22 HydrophobicContact CG-CG 4.14Å; P19-L22 WeakPolarHBondContact O-CB 3.3Å; P19-L22 PolarHBondContact O-N 3.31Å; A20-L22 PolarHBondContact O-N 2.93Å; L22-R31 PolarHBondContact O-NH2 3.3Å |
| 23 | N | 76.3 | Confident | 73.6 | Confident | 111 Ų | 111 | 99.9 Ų | 99.9 | 59% | 0.594 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -109.2 | 12.9 | 178.9 | -82.6 | -13.4 | 0 | 0 | 0 | 113.4 | A20 S21 P25 | A20-N23 PolarHBondContact O-N 3.5Å; S21-N23 PolarHBondContact O-N 3.37Å; N23-P25 VanDerWaalsContact O-CD 3.24Å; N23-P25 WeakPolarHBondContact O-CD 3.38Å |
| 24 | D | 87.7 | Confident | 75.9 | Confident | 68 Ų | 68 | 94.4 Ų | 94.4 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | trans | -60.3 | 120.6 | 174.7 | -172.5 | -9.7 | 0 | 0 | 0 | 110.3 | S21 N26 D27 R110 | S21-D24 PolarHBondContact O-N 2.8Å; D24-N26 PolarHBondContact O-N 3.47Å; D24-N26 PolarHBondContact OD1-N 2.8Å; D24-D27 HydrophobicContact CB-CB 4.06Å; D24-D27 PolarHBondContact O-N 2.99Å; D24-R110 WeakPolarHBondContact O-CD 3.31Å; D24-R110 PolarHBondContact O-NH1 2.04Å | ||
| 25 | P | 89.1 | Confident | 78.4 | Confident | 37 Ų | 37 | 93.8 Ų | 93.8 | 24% | 0.24 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.1 | 175.5 | -22.1 | 34.7 | 0 | 0 | 0 | 114.1 | N23 S107 R110 R111 | N23-P25 VanDerWaalsContact O-CD 3.24Å; N23-P25 WeakPolarHBondContact O-CD 3.38Å; P25-S107 WeakPolarHBondContact O-CB 3.42Å; P25-S107 PolarHBondContact O-OG 2.91Å; P25-R110 HydrophobicContact CB-CB 4.21Å; P25-R110 HydrophobicContact CG-CB 4.13Å; P25-R111 HydrophobicContact CB-CB 4.29Å; P25-R111 HydrophobicContact CG-CB 4.38Å |
| 26 | N | 89 | Confident | 80.7 | Confident | 127 Ų | 127 | 88.4 Ų | 88.4 | 68% | 0.679 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -1.3 | -177.1 | -54.9 | -59.6 | 0 | 0 | 0 | 113.4 | D24 L28 | D24-N26 PolarHBondContact O-N 3.47Å; D24-N26 PolarHBondContact OD1-N 2.8Å; N26-L28 PolarHBondContact O-N 2.78Å |
| 27 | D | 90.5 | Very high | 83 | Confident | 34 Ų | 34 | 86.2 Ų | 86.2 | 18% | 0.182 | 48% | 0.478 | C | S | . | . | trans | -65.5 | 123.9 | 175 | 159.5 | 42.2 | 0 | 0 | 0 | 109.7 | D24 S29 R106 R110 | D24-D27 HydrophobicContact CB-CB 4.06Å; D24-D27 PolarHBondContact O-N 2.99Å; D27-S29 VanDerWaalsContact OD1-CB 3.22Å; D27-S29 WeakPolarHBondContact OD1-CB 3.17Å; D27-S29 PolarHBondContact OD1-N 3.33Å; D27-S29 PolarHBondContact OD1-OG 2.82Å; D27-R106 PolarHBondContact O-NH2 2.9Å; D27-R106 IonicContact OD2-NH2 2.84Å; D27-R110 IonicContact OD2-CZ 3.99Å; D27-R110 IonicContact OD2-NH1 3.42Å; D27-R110 PolarHBondContact OD2-NH1 2.88Å; D27-R110 IonicContact OD2-NH2 3.18Å | ||
| 28 | L | 90.9 | Very high | 85.3 | Confident | 129 Ų | 129 | 81.8 Ų | 81.8 | 68% | 0.675 | 45% | 0.451 | S | S | * | . | trans | -104.6 | 0.2 | 179 | -61 | 178.8 | 0 | 0 | 0 | 112.6 | N26 L103 | N26-L28 PolarHBondContact O-N 2.78Å; L28-L103 HydrophobicContact CD2-CD1 4.31Å | ||
| 29 | S | 93.4 | Very high | 87.1 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 49% | 0.49 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 143.5 | 178.5 | 72.4 | 0 | 0 | 0 | 0 | 110.9 | D27 R106 | D27-S29 VanDerWaalsContact OD1-CB 3.22Å; D27-S29 WeakPolarHBondContact OD1-CB 3.17Å; D27-S29 PolarHBondContact OD1-N 3.33Å; D27-S29 PolarHBondContact OD1-OG 2.82Å; S29-R106 VanDerWaalsContact O-CZ 3.3Å; S29-R106 PolarHBondContact O-NH1 3.39Å; S29-R106 PolarHBondContact O-NH2 3.44Å |
| 30 | L | 94.1 | Very high | 88.7 | Confident | 40 Ų | 40 | 73.8 Ų | 73.8 | 21% | 0.209 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -100.3 | 119.8 | 174.7 | -66.6 | 174.9 | 0 | 0 | 0 | 110.2 | E34 R35 I39 T99 Y102 L103 | L30-E34 WeakPolarHBondContact CA-OE2 3.44Å; L30-E34 HydrophobicContact CD2-CB 4.24Å; L30-R35 HydrophobicContact CB-CB 4.36Å; L30-R35 PolarHBondContact O-NH2 3.29Å; L30-I39 HydrophobicContact CD1-CD1 3.48Å; L30-I39 VanDerWaalsContact CD1-CD1 3.48Å; L30-I39 HydrophobicContact CD2-CD1 3.61Å; L30-I39 HydrophobicContact CG-CD1 4.16Å; L30-T99 HydrophobicContact CD1-CG2 3.89Å; L30-T99 HydrophobicContact CD2-CG2 4.5Å; L30-Y102 HydrophobicContact CD2-CD1 4.1Å; L30-Y102 HydrophobicContact CD2-CE1 4.09Å; L30-L103 HydrophobicContact CD2-CD2 3.87Å; L30-L103 HydrophobicContact CD2-CG 4.43Å |
| 31 | R | 93.1 | Very high | 90.2 | Very high | 92 Ų | 92 | 72 Ų | 72 | 35% | 0.347 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 158.9 | 169.8 | -56.7 | 172.4 | -172 | -117 | -0.3 | 109.6 | L22 V33 E34 R35 | L22-R31 PolarHBondContact O-NH2 3.3Å; R31-V33 VanDerWaalsContact C-N 3.32Å; R31-V33 PolarHBondContact O-N 3.21Å; R31-E34 HydrophobicContact CB-CB 4.43Å; R31-E34 HydrophobicContact CB-CG 3.94Å; R31-E34 WeakPolarHBondContact CB-OE2 3.03Å; R31-E34 HydrophobicContact CG-CG 4.46Å; R31-E34 WeakPolarHBondContact CG-OE2 3.41Å; R31-E34 PolarHBondContact N-OE2 3.22Å; R31-E34 IonicContact NE-OE1 3.84Å; R31-E34 WeakPolarHBondContact O-CB 3.46Å; R31-E34 PolarHBondContact O-N 3.37Å; R31-R35 PolarHBondContact O-N 2.64Å |
| 32 | H | 94.9 | Very high | 91.6 | Very high | 145 Ų | 145 | 70.4 Ų | 70.4 | 67% | 0.671 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -50.8 | -49.6 | 178.2 | -175.7 | 53.3 | 0 | 0 | 0 | 112.6 | E34 R35 D36 | H32-E34 VanDerWaalsContact C-N 3.29Å; H32-E34 PolarHBondContact O-N 2.79Å; H32-R35 PolarHBondContact O-N 2.05Å; H32-D36 IonicContact CE1-OD2 3.91Å; H32-D36 PolarHBondContact CE1-OD2 3.35Å; H32-D36 IonicContact CG-OD2 2.92Å; H32-D36 IonicContact ND1-OD2 2.7Å; H32-D36 PolarHBondContact ND1-OD2 3.03Å; H32-D36 IonicContact NE2-OD2 3.93Å; H32-D36 WeakPolarHBondContact O-CB 3.08Å; H32-D36 PolarHBondContact O-N 3.04Å |
| 33 | V | 95.9 | Very high | 93 | Very high | 92 Ų | 92 | 68.3 Ų | 68.3 | 56% | 0.558 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.3 | -35.3 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | R31 V37 V38 | R31-V33 VanDerWaalsContact C-N 3.32Å; R31-V33 PolarHBondContact O-N 3.21Å; V33-V37 HydrophobicContact CG1-CB 4.39Å; V33-V37 WeakPolarHBondContact O-CA 3.46Å; V33-V37 WeakPolarHBondContact O-CB 3.34Å; V33-V37 PolarHBondContact O-N 3.05Å; V33-V38 HydrophobicContact CG1-CG2 4.36Å; V33-V38 PolarHBondContact O-N 2.96Å |
| 34 | E | 95.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 7% | 0.065 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -70.8 | -44 | -178.6 | -59 | 172 | 156.2 | 0 | 0 | 110.8 | L30 R31 H32 V38 I39 Y102 R106 | L30-E34 WeakPolarHBondContact CA-OE2 3.44Å; L30-E34 HydrophobicContact CD2-CB 4.24Å; R31-E34 HydrophobicContact CB-CB 4.43Å; R31-E34 HydrophobicContact CB-CG 3.94Å; R31-E34 WeakPolarHBondContact CB-OE2 3.03Å; R31-E34 HydrophobicContact CG-CG 4.46Å; R31-E34 WeakPolarHBondContact CG-OE2 3.41Å; R31-E34 PolarHBondContact N-OE2 3.22Å; R31-E34 IonicContact NE-OE1 3.84Å; R31-E34 WeakPolarHBondContact O-CB 3.46Å; R31-E34 PolarHBondContact O-N 3.37Å; H32-E34 VanDerWaalsContact C-N 3.29Å; H32-E34 PolarHBondContact O-N 2.79Å; E34-V38 PolarHBondContact O-N 3.45Å; E34-I39 WeakPolarHBondContact O-CB 3.31Å; E34-I39 WeakPolarHBondContact O-CG1 3.42Å; E34-I39 PolarHBondContact O-N 3.43Å; E34-Y102 HydrophobicContact CB-CE1 3.82Å; E34-Y102 HydrophobicContact CG-CE1 3.92Å; E34-Y102 WeakPolarHBondContact CG-OH 3.39Å; E34-Y102 PolarHBondContact OE1-OH 2.9Å; E34-R106 WeakPolarHBondContact OE1-CD 3.46Å; E34-R106 IonicContact OE1-CZ 3.01Å; E34-R106 IonicContact OE1-NH1 3.35Å; E34-R106 PolarHBondContact OE1-NH1 2.99Å; E34-R106 IonicContact OE2-CZ 3.67Å; E34-R106 IonicContact OE2-NH1 3.75Å; E34-R106 PolarHBondContact OE2-NH1 3.14Å |
| 35 | R | 95.4 | Very high | 94 | Very high | 148 Ų | 148 | 70.4 Ų | 70.4 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | I | π-helix | trans | -66.2 | -45.9 | 177.8 | -171.7 | -171.2 | -54.3 | -116.6 | -3.8 | 112.8 | L30 R31 H32 P40 | L30-R35 HydrophobicContact CB-CB 4.36Å; L30-R35 PolarHBondContact O-NH2 3.29Å; R31-R35 PolarHBondContact O-N 2.64Å; H32-R35 PolarHBondContact O-N 2.05Å; R35-P40 WeakPolarHBondContact O-CD 2.86Å; R35-P40 WeakPolarHBondContact O-CG 3.26Å |
| 36 | D | 95.6 | Very high | 94.2 | Very high | 80 Ų | 80 | 69.9 Ų | 69.9 | 43% | 0.428 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -100.4 | -12.5 | -165.7 | -58 | -27.7 | 0 | 0 | 0 | 113.2 | H32 | H32-D36 IonicContact CE1-OD2 3.91Å; H32-D36 PolarHBondContact CE1-OD2 3.35Å; H32-D36 IonicContact CG-OD2 2.92Å; H32-D36 IonicContact ND1-OD2 2.7Å; H32-D36 PolarHBondContact ND1-OD2 3.03Å; H32-D36 IonicContact NE2-OD2 3.93Å; H32-D36 WeakPolarHBondContact O-CB 3.08Å; H32-D36 PolarHBondContact O-N 3.04Å |
| 37 | V | 97 | Very high | 94.4 | Very high | 71 Ų | 71 | 64 Ų | 64 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -129.9 | -53.8 | -178.6 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | V33 N41 | V33-V37 HydrophobicContact CG1-CB 4.39Å; V33-V37 WeakPolarHBondContact O-CA 3.46Å; V33-V37 WeakPolarHBondContact O-CB 3.34Å; V33-V37 PolarHBondContact O-N 3.05Å; V37-N41 WeakPolarHBondContact CG1-ND2 3.11Å; V37-N41 VanDerWaalsContact O-CB 3.23Å; V37-N41 WeakPolarHBondContact O-CB 3.06Å; V37-N41 PolarHBondContact O-N 3.5Å; V37-N41 PolarHBondContact O-ND2 3.24Å; V37-N41 VanDerWaalsContact O-ND2 3.14Å |
| 38 | V | 96.3 | Very high | 94.3 | Very high | 42 Ų | 42 | 68.3 Ų | 68.3 | 26% | 0.255 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -68.5 | -53 | -171.1 | -177.7 | 0 | 0 | 0 | 0 | 112 | V33 E34 N41 R42 Y102 | V33-V38 HydrophobicContact CG1-CG2 4.36Å; V33-V38 PolarHBondContact O-N 2.96Å; E34-V38 PolarHBondContact O-N 3.45Å; V38-N41 PolarHBondContact O-N 3.4Å; V38-R42 WeakPolarHBondContact O-CG 3.45Å; V38-R42 PolarHBondContact O-N 3.11Å; V38-Y102 HydrophobicContact CB-CE2 4.49Å; V38-Y102 HydrophobicContact CG1-CD2 3.75Å; V38-Y102 HydrophobicContact CG1-CE2 3.52Å; V38-Y102 HydrophobicContact CG1-CG 4.48Å |
| 39 | I | 96.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 178.7 | -69.5 | 161.4 | 0 | 0 | 0 | 110.5 | L30 E34 N41 R42 V43 V95 T99 Y102 | L30-I39 HydrophobicContact CD1-CD1 3.48Å; L30-I39 VanDerWaalsContact CD1-CD1 3.48Å; L30-I39 HydrophobicContact CD2-CD1 3.61Å; L30-I39 HydrophobicContact CG-CD1 4.16Å; E34-I39 WeakPolarHBondContact O-CB 3.31Å; E34-I39 WeakPolarHBondContact O-CG1 3.42Å; E34-I39 PolarHBondContact O-N 3.43Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 2.79Å; I39-R42 WeakPolarHBondContact O-CB 3.08Å; I39-R42 PolarHBondContact O-N 3.46Å; I39-V43 HydrophobicContact CG2-CG2 4.34Å; I39-V43 WeakPolarHBondContact O-CG2 3.12Å; I39-V43 PolarHBondContact O-N 3.08Å; I39-V95 HydrophobicContact CG2-CG1 4.31Å; I39-T99 HydrophobicContact CD1-CG2 3.83Å; I39-T99 WeakPolarHBondContact CG2-OG1 3.36Å; I39-Y102 HydrophobicContact CD1-CD1 4.28Å; I39-Y102 HydrophobicContact CG1-CD1 4.1Å; I39-Y102 HydrophobicContact CG1-CG 4.33Å |
| 40 | P | 96.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 70.1 Ų | 70.1 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.3 | -38.7 | 174.7 | -33.4 | 39.6 | 0 | 0 | 0 | 114.6 | R35 R44 Y89 | R35-P40 WeakPolarHBondContact O-CD 2.86Å; R35-P40 WeakPolarHBondContact O-CG 3.26Å; P40-R44 WeakPolarHBondContact O-CB 3.48Å; P40-R44 PolarHBondContact O-N 2.81Å; P40-Y89 HydrophobicContact CB-CE2 4.26Å |
| 41 | N | 95.6 | Very high | 94 | Very high | 58 Ų | 58 | 71.7 Ų | 71.7 | 31% | 0.31 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 175.9 | -73.8 | -21.3 | 0 | 0 | 0 | 111.9 | V37 V38 I39 R44 D45 | V37-N41 WeakPolarHBondContact CG1-ND2 3.11Å; V37-N41 VanDerWaalsContact O-CB 3.23Å; V37-N41 WeakPolarHBondContact O-CB 3.06Å; V37-N41 PolarHBondContact O-N 3.5Å; V37-N41 PolarHBondContact O-ND2 3.24Å; V37-N41 VanDerWaalsContact O-ND2 3.14Å; V38-N41 PolarHBondContact O-N 3.4Å; I39-N41 VanDerWaalsContact C-N 3.28Å; I39-N41 PolarHBondContact O-N 2.79Å; N41-R44 PolarHBondContact O-N 2.94Å; N41-R44 PolarHBondContact OD1-NH1 3.1Å; N41-D45 WeakPolarHBondContact O-CB 3.26Å; N41-D45 PolarHBondContact O-N 3.47Å |
| 42 | R | 94.7 | Very high | 94 | Very high | 49 Ų | 49 | 67.3 Ų | 67.3 | 19% | 0.185 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.1 | -75.8 | 179.6 | 169.6 | -123.8 | 0 | 112 | V38 I39 D45 R46 D105 | V38-R42 WeakPolarHBondContact O-CG 3.45Å; V38-R42 PolarHBondContact O-N 3.11Å; I39-R42 WeakPolarHBondContact O-CB 3.08Å; I39-R42 PolarHBondContact O-N 3.46Å; R42-D45 PolarHBondContact O-N 3.07Å; R42-R46 WeakPolarHBondContact O-CG 3.07Å; R42-R46 PolarHBondContact O-N 3.45Å; R42-D105 IonicContact CZ-OD2 3.66Å; R42-D105 VanDerWaalsContact CZ-OD2 3.23Å; R42-D105 IonicContact NH1-OD2 3.53Å; R42-D105 PolarHBondContact NH1-OD2 3.5Å; R42-D105 IonicContact NH2-OD2 3.67Å; R42-D105 PolarHBondContact NH2-OD2 3.36Å |
| 43 | V | 95.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.9 | -54.7 | 173.3 | 171.5 | 0 | 0 | 0 | 0 | 109.1 | I39 D45 R46 V47 Y89 F94 V95 C98 | I39-V43 HydrophobicContact CG2-CG2 4.34Å; I39-V43 WeakPolarHBondContact O-CG2 3.12Å; I39-V43 PolarHBondContact O-N 3.08Å; V43-D45 VanDerWaalsContact C-N 3.32Å; V43-D45 PolarHBondContact O-N 3.01Å; V43-R46 PolarHBondContact O-N 3.24Å; V43-R46 VanDerWaalsContact O-N 3.15Å; V43-V47 HydrophobicContact CG1-CG2 4.12Å; V43-V47 VanDerWaalsContact O-CG2 3.29Å; V43-V47 WeakPolarHBondContact O-CG2 3.41Å; V43-V47 PolarHBondContact O-N 3.07Å; V43-Y89 HydrophobicContact CG1-CD2 4.01Å; V43-F94 HydrophobicContact CG1-CD1 4Å; V43-F94 HydrophobicContact CG1-CE1 3.94Å; V43-V95 HydrophobicContact CG2-CG2 4.15Å; V43-C98 HydrophobicContact CG2-CB 3.71Å |
| 44 | R | 92.8 | Very high | 93.7 | Very high | 136 Ų | 136 | 62.1 Ų | 62.1 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.3 | -46.5 | 179.6 | -173.4 | -170.8 | -61.9 | 132.9 | 5.4 | 112.7 | P40 N41 K48 | P40-R44 WeakPolarHBondContact O-CB 3.48Å; P40-R44 PolarHBondContact O-N 2.81Å; N41-R44 PolarHBondContact O-N 2.94Å; N41-R44 PolarHBondContact OD1-NH1 3.1Å; R44-K48 WeakPolarHBondContact O-CB 3.49Å; R44-K48 PolarHBondContact O-N 3.43Å |
| 45 | D | 92.3 | Very high | 93.7 | Very high | 86 Ų | 86 | 63.5 Ų | 63.5 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | -178.8 | -75.7 | -20.2 | 0 | 0 | 0 | 111.9 | N41 R42 V43 K49 | N41-D45 WeakPolarHBondContact O-CB 3.26Å; N41-D45 PolarHBondContact O-N 3.47Å; R42-D45 PolarHBondContact O-N 3.07Å; V43-D45 VanDerWaalsContact C-N 3.32Å; V43-D45 PolarHBondContact O-N 3.01Å; D45-K49 VanDerWaalsContact O-CG 3.27Å; D45-K49 WeakPolarHBondContact O-CG 3.09Å; D45-K49 PolarHBondContact O-N 2.85Å |
| 46 | R | 93 | Very high | 93.6 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.2 | -45.2 | 176.8 | -70.9 | -172.1 | 61.6 | -164.7 | -13.1 | 112.2 | R42 V43 K48 K49 E50 F94 E97 E101 | R42-R46 WeakPolarHBondContact O-CG 3.07Å; R42-R46 PolarHBondContact O-N 3.45Å; V43-R46 PolarHBondContact O-N 3.24Å; V43-R46 VanDerWaalsContact O-N 3.15Å; R46-K48 PolarHBondContact O-N 2.75Å; R46-K49 PolarHBondContact O-N 3.38Å; R46-E50 IonicContact CZ-OE1 3.93Å; R46-E50 IonicContact CZ-OE2 3.32Å; R46-E50 IonicContact NE-OE1 2.73Å; R46-E50 PolarHBondContact NE-OE1 3.29Å; R46-E50 IonicContact NE-OE2 3.58Å; R46-E50 PolarHBondContact NE-OE2 3.49Å; R46-E50 IonicContact NH2-OE1 3.05Å; R46-E50 IonicContact NH2-OE2 2.6Å; R46-E50 PolarHBondContact NH2-OE2 3.49Å; R46-E50 WeakPolarHBondContact O-CB 3.31Å; R46-E50 PolarHBondContact O-N 3.22Å; R46-F94 HydrophobicContact CB-CE1 4.35Å; R46-F94 HydrophobicContact CB-CZ 3.68Å; R46-E97 IonicContact CZ-OE1 3.89Å; R46-E97 VanDerWaalsContact CZ-OE1 3.23Å; R46-E97 IonicContact NH1-OE1 2.84Å; R46-E97 PolarHBondContact NH1-OE1 3.38Å; R46-E97 IonicContact NH2-OE1 3.71Å; R46-E97 PolarHBondContact NH2-OE1 2.67Å; R46-E97 IonicContact NH2-OE2 2.69Å; R46-E101 IonicContact CZ-OE2 3.23Å; R46-E101 IonicContact NE-OE2 2.71Å; R46-E101 VanDerWaalsContact NH1-CD 3.29Å; R46-E101 IonicContact NH1-OE1 3.71Å; R46-E101 IonicContact NH1-OE2 2.8Å; R46-E101 PolarHBondContact NH1-OE2 3.26Å |
| 47 | V | 93.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -54.6 | -44.8 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | V43 K49 K51 C52 L85 W88 F94 | V43-V47 HydrophobicContact CG1-CG2 4.12Å; V43-V47 VanDerWaalsContact O-CG2 3.29Å; V43-V47 WeakPolarHBondContact O-CG2 3.41Å; V43-V47 PolarHBondContact O-N 3.07Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 3.05Å; V47-K51 HydrophobicContact CG1-CB 4.32Å; V47-K51 PolarHBondContact O-N 3.36Å; V47-K51 VanDerWaalsContact O-N 3.08Å; V47-C52 PolarHBondContact O-N 3.36Å; V47-L85 HydrophobicContact CG1-CD2 3.56Å; V47-W88 HydrophobicContact CB-CB 4.34Å; V47-W88 HydrophobicContact CG1-CB 3.87Å; V47-W88 HydrophobicContact CG1-CG 4.37Å; V47-W88 HydrophobicContact CG2-CB 3.44Å; V47-W88 VanDerWaalsContact CG2-CB 3.44Å; V47-W88 HydrophobicContact CG2-CG 4.4Å; V47-F94 HydrophobicContact CG2-CD1 4.19Å; V47-F94 HydrophobicContact CG2-CE1 3.5Å; V47-F94 HydrophobicContact CG2-CZ 4.26Å |
| 48 | K | 88.7 | Confident | 93.3 | Very high | 123 Ų | 123 | 60.1 Ų | 60.1 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -63.1 | -37.7 | 179.4 | -177 | 175.1 | -178.3 | -175.9 | 0 | 113 | R44 R46 Y56 | R44-K48 WeakPolarHBondContact O-CB 3.49Å; R44-K48 PolarHBondContact O-N 3.43Å; R46-K48 PolarHBondContact O-N 2.75Å; K48-Y56 HydrophobicContact CB-CE2 4.28Å; K48-Y56 HydrophobicContact CG-CE2 3.74Å |
| 49 | K | 88.5 | Confident | 93.1 | Very high | 141 Ų | 141 | 59.6 Ų | 59.6 | 61% | 0.613 | 30% | 0.297 | S | S | * | . | I | π-helix | trans | -83.8 | -38.4 | -176.7 | -71.4 | 173.4 | -175.4 | 176.6 | 0 | 113.1 | D45 R46 V47 | D45-K49 VanDerWaalsContact O-CG 3.27Å; D45-K49 WeakPolarHBondContact O-CG 3.09Å; D45-K49 PolarHBondContact O-N 2.85Å; R46-K49 PolarHBondContact O-N 3.38Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 3.05Å |
| 50 | E | 91.6 | Very high | 92.9 | Very high | 96 Ų | 96 | 64.3 Ų | 64.3 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -107.3 | -33.5 | -164.7 | -64.9 | 168.8 | -152.9 | 0 | 0 | 113.5 | R46 | R46-E50 IonicContact CZ-OE1 3.93Å; R46-E50 IonicContact CZ-OE2 3.32Å; R46-E50 IonicContact NE-OE1 2.73Å; R46-E50 PolarHBondContact NE-OE1 3.29Å; R46-E50 IonicContact NE-OE2 3.58Å; R46-E50 PolarHBondContact NE-OE2 3.49Å; R46-E50 IonicContact NH2-OE1 3.05Å; R46-E50 IonicContact NH2-OE2 2.6Å; R46-E50 PolarHBondContact NH2-OE2 3.49Å; R46-E50 WeakPolarHBondContact O-CB 3.31Å; R46-E50 PolarHBondContact O-N 3.22Å |
| 51 | K | 91.6 | Very high | 92.7 | Very high | 73 Ų | 73 | 69.9 Ų | 69.9 | 32% | 0.317 | 34% | 0.344 | S | S | . | . | I | π-helix | trans | -107.6 | -53.4 | -162.7 | -57.7 | -61.8 | -171.6 | 168.7 | 0 | 113.9 | V47 S53 W88 | V47-K51 HydrophobicContact CG1-CB 4.32Å; V47-K51 PolarHBondContact O-N 3.36Å; V47-K51 VanDerWaalsContact O-N 3.08Å; K51-S53 PolarHBondContact O-N 2.88Å; K51-W88 HydrophobicContact CB-CD2 4.12Å; K51-W88 HydrophobicContact CB-CG 4.01Å; K51-W88 HydrophobicContact CD-CD2 3.97Å; K51-W88 HydrophobicContact CD-CE3 4.13Å; K51-W88 HydrophobicContact CD-CH2 3.94Å; K51-W88 HydrophobicContact CD-CZ2 3.74Å; K51-W88 HydrophobicContact CD-CZ3 4.12Å; K51-W88 HydrophobicContact CG-CD2 3.77Å; K51-W88 HydrophobicContact CG-CE3 4.21Å; K51-W88 HydrophobicContact CG-CG 4.01Å; K51-W88 HydrophobicContact CG-CZ2 4.36Å |
| 52 | C | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -99.5 | 30.1 | -169.9 | -57.6 | 0 | 0 | 0 | 0 | 114.1 | V47 A54 E55 Y56 L81 C84 L85 | V47-C52 PolarHBondContact O-N 3.36Å; C52-A54 VanDerWaalsContact C-N 3.33Å; C52-A54 PolarHBondContact O-N 2.88Å; C52-E55 WeakPolarHBondContact CA-OE2 3.42Å; C52-E55 PolarHBondContact O-N 2.86Å; C52-Y56 HydrophobicContact CB-CD2 4.36Å; C52-Y56 HydrophobicContact CB-CE2 4.39Å; C52-Y56 WeakPolarHBondContact O-CD2 3.11Å; C52-Y56 PolarHBondContact O-N 3.32Å; C52-L81 HydrophobicContact CB-CD1 3.94Å; C52-C84 VanDerWaalsContact CA-SG 3.54Å; C52-C84 HydrophobicContact CB-CB 3.99Å; C52-C84 WeakPolarHBondContact CB-SG 3.31Å; C52-C84 WeakPolarHBondContact SG-CB 3.44Å; C52-C84 CovalentContact SG-SG 2.05Å; C52-C84 PolarHBondContact SG-SG 2.91Å; C52-L85 HydrophobicContact CB-CD2 4.04Å; C52-L85 PolarHBondContact SG-N 3.12Å |
| 53 | S | 92.1 | Very high | 92.4 | Very high | 75 Ų | 75 | 68.4 Ų | 68.4 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.6 | -34.6 | -174 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | K51 Y56 A57 | K51-S53 PolarHBondContact O-N 2.88Å; S53-Y56 PolarHBondContact O-N 3.16Å; S53-A57 PolarHBondContact O-N 3.39Å |
| 54 | A | 93 | Very high | 92.1 | Very high | 53 Ų | 53 | 72.1 Ų | 72.1 | 44% | 0.438 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.1 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C52 A57 Q58 | C52-A54 VanDerWaalsContact C-N 3.33Å; C52-A54 PolarHBondContact O-N 2.88Å; A54-A57 PolarHBondContact O-N 3.05Å; A54-Q58 WeakPolarHBondContact O-CG 3.36Å; A54-Q58 PolarHBondContact O-N 2.81Å |
| 55 | E | 93.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 71.4 Ų | 71.4 | 20% | 0.201 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 177 | -62.6 | 78 | -177.1 | 0 | 0 | 110.6 | C52 Q58 L59 T80 L81 C84 | C52-E55 WeakPolarHBondContact CA-OE2 3.42Å; C52-E55 PolarHBondContact O-N 2.86Å; E55-Q58 PolarHBondContact O-N 2.84Å; E55-L59 WeakPolarHBondContact O-CB 3.48Å; E55-L59 PolarHBondContact O-N 3.07Å; E55-T80 HydrophobicContact CG-CG2 4.19Å; E55-L81 HydrophobicContact CB-CB 3.94Å; E55-L81 HydrophobicContact CB-CD1 3.69Å; E55-L81 HydrophobicContact CB-CG 4.43Å; E55-C84 HydrophobicContact CG-CB 3.89Å |
| 56 | Y | 93.8 | Very high | 91.2 | Very high | 72 Ų | 72 | 70.3 Ų | 70.3 | 28% | 0.282 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 170.2 | -86.3 | -63.6 | 0 | 0 | 0 | 111.6 | K48 C52 S53 Q58 L59 D60 L81 L85 | K48-Y56 HydrophobicContact CB-CE2 4.28Å; K48-Y56 HydrophobicContact CG-CE2 3.74Å; C52-Y56 HydrophobicContact CB-CD2 4.36Å; C52-Y56 HydrophobicContact CB-CE2 4.39Å; C52-Y56 WeakPolarHBondContact O-CD2 3.11Å; C52-Y56 PolarHBondContact O-N 3.32Å; S53-Y56 PolarHBondContact O-N 3.16Å; Y56-Q58 VanDerWaalsContact C-N 3.34Å; Y56-Q58 PolarHBondContact O-N 3.07Å; Y56-L59 PolarHBondContact O-N 3.43Å; Y56-D60 VanDerWaalsContact O-CB 3.31Å; Y56-D60 WeakPolarHBondContact O-CB 3.23Å; Y56-D60 PolarHBondContact O-N 3.39Å; Y56-L81 HydrophobicContact CD1-CD1 4.07Å; Y56-L81 HydrophobicContact CD1-CD2 3.68Å; Y56-L81 HydrophobicContact CD2-CD1 3.82Å; Y56-L81 HydrophobicContact CE1-CD1 4.07Å; Y56-L81 HydrophobicContact CE1-CD2 3.52Å; Y56-L81 HydrophobicContact CE1-CG 4.4Å; Y56-L81 HydrophobicContact CE2-CD1 3.78Å; Y56-L81 HydrophobicContact CG-CD1 3.94Å; Y56-L81 HydrophobicContact CG-CD2 4.35Å; Y56-L85 HydrophobicContact CE2-CD2 4.18Å |
| 57 | A | 93.5 | Very high | 90.5 | Very high | 59 Ų | 59 | 71.2 Ų | 71.2 | 49% | 0.488 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S53 A54 D60 K61 | S53-A57 PolarHBondContact O-N 3.39Å; A54-A57 PolarHBondContact O-N 3.05Å; A57-D60 PolarHBondContact O-N 3.44Å; A57-K61 VanDerWaalsContact O-CB 3.3Å; A57-K61 WeakPolarHBondContact O-CB 3.12Å; A57-K61 PolarHBondContact O-N 2.73Å |
| 58 | Q | 92.6 | Very high | 89.9 | Confident | 98 Ų | 98 | 80.1 Ų | 80.1 | 46% | 0.458 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 174.8 | -71.8 | 176.9 | 44.4 | 0 | 0 | 112.2 | A54 E55 Y56 K61 C62 T77 | A54-Q58 WeakPolarHBondContact O-CG 3.36Å; A54-Q58 PolarHBondContact O-N 2.81Å; E55-Q58 PolarHBondContact O-N 2.84Å; Y56-Q58 VanDerWaalsContact C-N 3.34Å; Y56-Q58 PolarHBondContact O-N 3.07Å; Q58-K61 PolarHBondContact O-N 3.26Å; Q58-C62 PolarHBondContact O-N 3.46Å; Q58-T77 HydrophobicContact CB-CG2 4.32Å |
| 59 | L | 92.9 | Very high | 89.6 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 16% | 0.157 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 174.4 | -179.5 | 59.2 | 0 | 0 | 0 | 110 | E55 Y56 K61 C62 M63 C74 R78 L81 | E55-L59 WeakPolarHBondContact O-CB 3.48Å; E55-L59 PolarHBondContact O-N 3.07Å; Y56-L59 PolarHBondContact O-N 3.43Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.24Å; L59-C62 WeakPolarHBondContact O-CB 3.32Å; L59-C62 PolarHBondContact O-N 3.28Å; L59-C62 VanDerWaalsContact O-N 3.1Å; L59-M63 HydrophobicContact CD1-CG 3.96Å; L59-M63 HydrophobicContact CD1-SD 4.27Å; L59-M63 HydrophobicContact CG-CG 4.09Å; L59-M63 WeakPolarHBondContact O-CB 3.5Å; L59-M63 WeakPolarHBondContact O-CG 3.49Å; L59-M63 PolarHBondContact O-N 2.66Å; L59-C74 HydrophobicContact CD1-CB 4.11Å; L59-R78 HydrophobicContact CD1-CB 4.14Å; L59-L81 HydrophobicContact CD2-CD2 3.5Å; L59-L81 VanDerWaalsContact CD2-CD2 3.5Å |
| 60 | D | 92.2 | Very high | 89.2 | Confident | 106 Ų | 106 | 73.9 Ų | 73.9 | 57% | 0.567 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.6 | -39.9 | 180 | -170.4 | 57.1 | 0 | 0 | 0 | 112.5 | Y56 A57 M63 S64 | Y56-D60 VanDerWaalsContact O-CB 3.31Å; Y56-D60 WeakPolarHBondContact O-CB 3.23Å; Y56-D60 PolarHBondContact O-N 3.39Å; A57-D60 PolarHBondContact O-N 3.44Å; D60-M63 PolarHBondContact O-N 3.27Å; D60-S64 VanDerWaalsContact O-CB 3.31Å; D60-S64 WeakPolarHBondContact O-CB 3.39Å; D60-S64 PolarHBondContact O-N 3.04Å; D60-S64 PolarHBondContact O-OG 3.38Å |
| 61 | K | 92.2 | Very high | 88.7 | Confident | 137 Ų | 137 | 74.8 Ų | 74.8 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 172.7 | -175.1 | 176.9 | -178.5 | 178.8 | 0 | 112 | A57 Q58 L59 S64 Q65 | A57-K61 VanDerWaalsContact O-CB 3.3Å; A57-K61 WeakPolarHBondContact O-CB 3.12Å; A57-K61 PolarHBondContact O-N 2.73Å; Q58-K61 PolarHBondContact O-N 3.26Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.24Å; K61-S64 PolarHBondContact O-N 2.93Å; K61-Q65 VanDerWaalsContact O-CG 3.31Å; K61-Q65 WeakPolarHBondContact O-CG 3.31Å; K61-Q65 PolarHBondContact O-N 2.88Å |
| 62 | C | 92.4 | Very high | 88.5 | Confident | 17 Ų | 17 | 80.9 Ų | 80.9 | 12% | 0.115 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 176 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | Q58 L59 S64 Q65 F66 C74 T77 | Q58-C62 PolarHBondContact O-N 3.46Å; L59-C62 WeakPolarHBondContact O-CB 3.32Å; L59-C62 PolarHBondContact O-N 3.28Å; L59-C62 VanDerWaalsContact O-N 3.1Å; C62-S64 VanDerWaalsContact C-N 3.29Å; C62-S64 PolarHBondContact O-N 2.99Å; C62-Q65 PolarHBondContact O-N 2.96Å; C62-F66 WeakPolarHBondContact O-CD2 3.24Å; C62-F66 PolarHBondContact O-N 3.48Å; C62-C74 HydrophobicContact CB-CB 3.95Å; C62-C74 WeakPolarHBondContact CB-SG 3.29Å; C62-C74 PolarHBondContact O-SG 2.79Å; C62-C74 WeakPolarHBondContact SG-CA 3.36Å; C62-C74 WeakPolarHBondContact SG-CB 3.27Å; C62-C74 CovalentContact SG-SG 2.04Å; C62-C74 PolarHBondContact SG-SG 2.84Å; C62-T77 HydrophobicContact CB-CG2 4.3Å |
| 63 | M | 90.2 | Very high | 88.3 | Confident | 59 Ų | 59 | 88 Ų | 88 | 29% | 0.291 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 178 | -66.3 | -62.7 | -75.8 | 0 | 0 | 110.8 | L59 D60 Q65 R70 C74 | L59-M63 HydrophobicContact CD1-CG 3.96Å; L59-M63 HydrophobicContact CD1-SD 4.27Å; L59-M63 HydrophobicContact CG-CG 4.09Å; L59-M63 WeakPolarHBondContact O-CB 3.5Å; L59-M63 WeakPolarHBondContact O-CG 3.49Å; L59-M63 PolarHBondContact O-N 2.66Å; D60-M63 PolarHBondContact O-N 3.27Å; M63-Q65 VanDerWaalsContact C-N 3.34Å; M63-Q65 PolarHBondContact O-N 3.37Å; M63-R70 HydrophobicContact CB-CG 4.5Å; M63-R70 HydrophobicContact CE-CB 3.77Å; M63-R70 VanDerWaalsContact CE-CD 3.5Å; M63-R70 HydrophobicContact CE-CG 4.11Å; M63-R70 WeakPolarHBondContact O-CD 3.01Å; M63-R70 WeakPolarHBondContact O-CG 3.39Å; M63-R70 PolarHBondContact O-NE 3.41Å; M63-R70 PolarHBondContact O-NH1 3.16Å; M63-R70 PolarHBondContact O-NH2 3.43Å; M63-R70 HydrophobicContact SD-CB 3.56Å; M63-R70 VanDerWaalsContact SD-CB 3.56Å; M63-R70 HydrophobicContact SD-CG 3.94Å; M63-C74 HydrophobicContact SD-CB 4.19Å |
| 64 | S | 89.3 | Confident | 88.3 | Confident | 79 Ų | 79 | 84.6 Ų | 84.6 | 55% | 0.552 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.6 | -29.4 | 179.2 | -65.6 | 0 | 0 | 0 | 0 | 113.3 | D60 K61 C62 | D60-S64 VanDerWaalsContact O-CB 3.31Å; D60-S64 WeakPolarHBondContact O-CB 3.39Å; D60-S64 PolarHBondContact O-N 3.04Å; D60-S64 PolarHBondContact O-OG 3.38Å; K61-S64 PolarHBondContact O-N 2.93Å; C62-S64 VanDerWaalsContact C-N 3.29Å; C62-S64 PolarHBondContact O-N 2.99Å |
| 65 | Q | 87.5 | Confident | 88.3 | Confident | 122 Ų | 122 | 86.6 Ų | 86.6 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -77.7 | -37.1 | -177.3 | -75 | 175.8 | 3.5 | 0 | 0 | 114 | K61 C62 M63 | K61-Q65 VanDerWaalsContact O-CG 3.31Å; K61-Q65 WeakPolarHBondContact O-CG 3.31Å; K61-Q65 PolarHBondContact O-N 2.88Å; C62-Q65 PolarHBondContact O-N 2.96Å; M63-Q65 VanDerWaalsContact C-N 3.34Å; M63-Q65 PolarHBondContact O-N 3.37Å |
| 66 | F | 79.6 | Confident | 88.2 | Confident | 63 Ų | 63 | 93 Ų | 93 | 28% | 0.276 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -104.2 | 131.6 | -177.7 | -57.6 | -67.8 | 0 | 0 | 0 | 107.9 | C62 R70 R73 | C62-F66 WeakPolarHBondContact O-CD2 3.24Å; C62-F66 PolarHBondContact O-N 3.48Å; F66-R70 HydrophobicContact CB-CG 4.1Å; F66-R70 VanDerWaalsContact O-CD 3.26Å; F66-R70 WeakPolarHBondContact O-CD 3.31Å; F66-R70 WeakPolarHBondContact O-CG 3.46Å; F66-R70 PolarHBondContact O-NE 3.29Å; F66-R70 PolarHBondContact O-NH2 3.33Å; F66-R73 HydrophobicContact CD2-CB 4.05Å; F66-R73 HydrophobicContact CE2-CB 4.39Å; F66-R73 HydrophobicContact CG-CB 4.27Å |
| 67 | G | 77 | Confident | 88.2 | Confident | 46 Ų | 46 | 91 Ų | 91 | 47% | 0.474 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -73.6 | -107.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | S69 R70 | G67-S69 VanDerWaalsContact C-N 3.25Å; G67-S69 PolarHBondContact O-N 3.5Å; G67-R70 VanDerWaalsContact O-CD 3.23Å; G67-R70 WeakPolarHBondContact O-CD 3.41Å; G67-R70 WeakPolarHBondContact O-CG 3.48Å; G67-R70 PolarHBondContact O-NE 3.35Å |
| 68 | M | 81.4 | Confident | 88.3 | Confident | 191 Ų | 191 | 93.3 Ų | 93.3 | 94% | 0.941 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17 | -179.7 | -66 | 177.9 | -74.7 | 0 | 0 | 114.3 | R70 | M68-R70 VanDerWaalsContact C-N 3.3Å; M68-R70 PolarHBondContact O-N 3.23Å |
| 69 | S | 83.1 | Confident | 88.4 | Confident | 45 Ų | 45 | 92 Ų | 92 | 32% | 0.315 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 14.5 | -175.8 | 52 | 0 | 0 | 0 | 0 | 114.4 | G67 I71 R73 | G67-S69 VanDerWaalsContact C-N 3.25Å; G67-S69 PolarHBondContact O-N 3.5Å; S69-I71 PolarHBondContact O-N 3.46Å; S69-R73 WeakPolarHBondContact O-CG 3.45Å; S69-R73 PolarHBondContact O-N 3.26Å; S69-R73 VanDerWaalsContact OG-CZ 3.26Å; S69-R73 PolarHBondContact OG-NE 3.33Å; S69-R73 PolarHBondContact OG-NH2 2.88Å |
| 70 | R | 79.9 | Confident | 88.5 | Confident | 88 Ų | 88 | 93.8 Ų | 93.8 | 33% | 0.332 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.9 | -45.2 | -177 | -73.3 | 166.1 | -150.1 | -145.9 | -18.1 | 114.1 | M63 F66 G67 M68 W72 R73 C74 | M63-R70 HydrophobicContact CB-CG 4.5Å; M63-R70 HydrophobicContact CE-CB 3.77Å; M63-R70 VanDerWaalsContact CE-CD 3.5Å; M63-R70 HydrophobicContact CE-CG 4.11Å; M63-R70 WeakPolarHBondContact O-CD 3.01Å; M63-R70 WeakPolarHBondContact O-CG 3.39Å; M63-R70 PolarHBondContact O-NE 3.41Å; M63-R70 PolarHBondContact O-NH1 3.16Å; M63-R70 PolarHBondContact O-NH2 3.43Å; M63-R70 HydrophobicContact SD-CB 3.56Å; M63-R70 VanDerWaalsContact SD-CB 3.56Å; M63-R70 HydrophobicContact SD-CG 3.94Å; F66-R70 HydrophobicContact CB-CG 4.1Å; F66-R70 VanDerWaalsContact O-CD 3.26Å; F66-R70 WeakPolarHBondContact O-CD 3.31Å; F66-R70 WeakPolarHBondContact O-CG 3.46Å; F66-R70 PolarHBondContact O-NE 3.29Å; F66-R70 PolarHBondContact O-NH2 3.33Å; G67-R70 VanDerWaalsContact O-CD 3.23Å; G67-R70 WeakPolarHBondContact O-CD 3.41Å; G67-R70 WeakPolarHBondContact O-CG 3.48Å; G67-R70 PolarHBondContact O-NE 3.35Å; M68-R70 VanDerWaalsContact C-N 3.3Å; M68-R70 PolarHBondContact O-N 3.23Å; R70-W72 PolarHBondContact O-N 3.03Å; R70-W72 VanDerWaalsContact O-N 3.07Å; R70-R73 PolarHBondContact O-N 3.41Å; R70-R73 VanDerWaalsContact O-N 3.1Å; R70-C74 WeakPolarHBondContact O-CB 3.33Å; R70-C74 PolarHBondContact O-N 2.99Å |
| 71 | I | 81.3 | Confident | 88.7 | Confident | 114 Ų | 114 | 89.1 Ų | 89.1 | 59% | 0.585 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -55.9 | -36.3 | -169.3 | -60.1 | 160.3 | 0 | 0 | 0 | 110.2 | S69 Y75 | S69-I71 PolarHBondContact O-N 3.46Å; I71-Y75 WeakPolarHBondContact O-CD1 3.39Å; I71-Y75 WeakPolarHBondContact O-CE1 3.45Å; I71-Y75 VanDerWaalsContact O-CZ 3.24Å |
| 72 | W | 87.3 | Confident | 88.8 | Confident | 201 Ų | 201 | 86.1 Ų | 86.1 | 76% | 0.761 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -90 | -29.3 | -176.7 | -57.5 | 3.1 | 0 | 0 | 0 | 113.2 | R70 Y75 | R70-W72 PolarHBondContact O-N 3.03Å; R70-W72 VanDerWaalsContact O-N 3.07Å; W72-Y75 VanDerWaalsContact CA-CE2 3.45Å; W72-Y75 HydrophobicContact CB-CE2 4.16Å; W72-Y75 WeakPolarHBondContact O-CD2 3.42Å; W72-Y75 WeakPolarHBondContact O-CE2 3.26Å |
| 73 | R | 88.5 | Confident | 89 | Confident | 150 Ų | 150 | 90 Ų | 90 | 57% | 0.566 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -85.9 | -25.6 | -176.6 | -63.1 | -171.7 | -142.9 | -138.1 | 1.9 | 113.3 | F66 S69 R70 | F66-R73 HydrophobicContact CD2-CB 4.05Å; F66-R73 HydrophobicContact CE2-CB 4.39Å; F66-R73 HydrophobicContact CG-CB 4.27Å; S69-R73 WeakPolarHBondContact O-CG 3.45Å; S69-R73 PolarHBondContact O-N 3.26Å; S69-R73 VanDerWaalsContact OG-CZ 3.26Å; S69-R73 PolarHBondContact OG-NE 3.33Å; S69-R73 PolarHBondContact OG-NH2 2.88Å; R70-R73 PolarHBondContact O-N 3.41Å; R70-R73 VanDerWaalsContact O-N 3.1Å |
| 74 | C | 93.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 87.9 Ų | 87.9 | 3% | 0.027 | 43% | 0.431 | C | S | . | . | trans | -99.4 | 20.1 | -175.1 | -59 | 0 | 0 | 0 | 0 | 114.1 | L59 C62 M63 R70 K76 T77 R78 | L59-C74 HydrophobicContact CD1-CB 4.11Å; C62-C74 HydrophobicContact CB-CB 3.95Å; C62-C74 WeakPolarHBondContact CB-SG 3.29Å; C62-C74 PolarHBondContact O-SG 2.79Å; C62-C74 WeakPolarHBondContact SG-CA 3.36Å; C62-C74 WeakPolarHBondContact SG-CB 3.27Å; C62-C74 CovalentContact SG-SG 2.04Å; C62-C74 PolarHBondContact SG-SG 2.84Å; M63-C74 HydrophobicContact SD-CB 4.19Å; R70-C74 WeakPolarHBondContact O-CB 3.33Å; R70-C74 PolarHBondContact O-N 2.99Å; C74-K76 VanDerWaalsContact C-N 3.34Å; C74-K76 PolarHBondContact O-N 3.3Å; C74-T77 PolarHBondContact O-N 3.15Å; C74-T77 PolarHBondContact O-OG1 3.46Å; C74-T77 VanDerWaalsContact O-OG1 3.11Å; C74-R78 VanDerWaalsContact O-CB 3.26Å; C74-R78 WeakPolarHBondContact O-CB 3.4Å; C74-R78 PolarHBondContact O-N 3.01Å | ||
| 75 | Y | 92.4 | Very high | 89.5 | Confident | 95 Ų | 95 | 86.1 Ų | 86.1 | 37% | 0.373 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 177.9 | -72.9 | -50.8 | 0 | 0 | 0 | 112.4 | I71 W72 T77 R78 D79 | I71-Y75 WeakPolarHBondContact O-CD1 3.39Å; I71-Y75 WeakPolarHBondContact O-CE1 3.45Å; I71-Y75 VanDerWaalsContact O-CZ 3.24Å; W72-Y75 VanDerWaalsContact CA-CE2 3.45Å; W72-Y75 HydrophobicContact CB-CE2 4.16Å; W72-Y75 WeakPolarHBondContact O-CD2 3.42Å; W72-Y75 WeakPolarHBondContact O-CE2 3.26Å; Y75-T77 PolarHBondContact O-N 3.28Å; Y75-R78 PolarHBondContact O-N 3.35Å; Y75-D79 WeakPolarHBondContact O-CB 3.49Å; Y75-D79 PolarHBondContact O-N 3.18Å |
| 76 | K | 92.7 | Very high | 89.8 | Confident | 178 Ų | 178 | 85 Ų | 85 | 77% | 0.774 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.9 | -47.5 | -178.8 | -66 | -171.5 | 177.3 | -177.8 | 0 | 112.9 | C74 D79 T80 | C74-K76 VanDerWaalsContact C-N 3.34Å; C74-K76 PolarHBondContact O-N 3.3Å; K76-D79 PolarHBondContact O-N 2.97Å; K76-T80 WeakPolarHBondContact O-CB 3.48Å; K76-T80 PolarHBondContact O-N 3.26Å; K76-T80 PolarHBondContact O-OG1 3.29Å |
| 77 | T | 93.5 | Very high | 90.5 | Very high | 29 Ų | 29 | 85.2 Ų | 85.2 | 18% | 0.178 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70 | -35.8 | 178.8 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | Q58 C62 C74 Y75 L81 | Q58-T77 HydrophobicContact CB-CG2 4.32Å; C62-T77 HydrophobicContact CB-CG2 4.3Å; C74-T77 PolarHBondContact O-N 3.15Å; C74-T77 PolarHBondContact O-OG1 3.46Å; C74-T77 VanDerWaalsContact O-OG1 3.11Å; Y75-T77 PolarHBondContact O-N 3.28Å; T77-L81 PolarHBondContact O-N 3.31Å |
| 78 | R | 93.9 | Very high | 91.4 | Very high | 107 Ų | 107 | 86.5 Ų | 86.5 | 40% | 0.404 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 173.8 | -173 | -162.4 | 72.2 | 171.5 | 0.8 | 112 | L59 C74 Y75 T80 L81 N82 | L59-R78 HydrophobicContact CD1-CB 4.14Å; C74-R78 VanDerWaalsContact O-CB 3.26Å; C74-R78 WeakPolarHBondContact O-CB 3.4Å; C74-R78 PolarHBondContact O-N 3.01Å; Y75-R78 PolarHBondContact O-N 3.35Å; R78-T80 VanDerWaalsContact C-N 3.34Å; R78-L81 WeakPolarHBondContact O-CB 3.29Å; R78-L81 PolarHBondContact O-N 3.28Å; R78-N82 WeakPolarHBondContact O-CB 3.36Å; R78-N82 VanDerWaalsContact O-CG 3.3Å; R78-N82 PolarHBondContact O-N 2.97Å; R78-N82 PolarHBondContact O-ND2 3.37Å |
| 79 | D | 95.6 | Very high | 91.9 | Very high | 70 Ų | 70 | 81 Ų | 81 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.2 | -37.3 | -177.3 | -63.4 | -17.8 | 0 | 0 | 0 | 110.2 | Y75 K76 L81 N82 T83 | Y75-D79 WeakPolarHBondContact O-CB 3.49Å; Y75-D79 PolarHBondContact O-N 3.18Å; K76-D79 PolarHBondContact O-N 2.97Å; D79-L81 PolarHBondContact O-N 2.98Å; D79-N82 PolarHBondContact O-N 3.33Å; D79-T83 PolarHBondContact O-N 2.91Å; D79-T83 PolarHBondContact O-OG1 3.05Å; D79-T83 VanDerWaalsContact O-OG1 3.07Å |
| 80 | T | 95.4 | Very high | 92.3 | Very high | 69 Ų | 69 | 86.6 Ų | 86.6 | 42% | 0.423 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.6 | -47 | 170.7 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | E55 K76 R78 T83 C84 | E55-T80 HydrophobicContact CG-CG2 4.19Å; K76-T80 WeakPolarHBondContact O-CB 3.48Å; K76-T80 PolarHBondContact O-N 3.26Å; K76-T80 PolarHBondContact O-OG1 3.29Å; R78-T80 VanDerWaalsContact C-N 3.34Å; T80-T83 PolarHBondContact O-N 3.22Å; T80-C84 PolarHBondContact O-N 3.46Å |
| 81 | L | 95.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 84.7 Ų | 84.7 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 174.1 | 172.3 | 64.9 | 0 | 0 | 0 | 111.4 | C52 E55 Y56 L59 T77 R78 D79 T83 C84 L85 | C52-L81 HydrophobicContact CB-CD1 3.94Å; E55-L81 HydrophobicContact CB-CB 3.94Å; E55-L81 HydrophobicContact CB-CD1 3.69Å; E55-L81 HydrophobicContact CB-CG 4.43Å; Y56-L81 HydrophobicContact CD1-CD1 4.07Å; Y56-L81 HydrophobicContact CD1-CD2 3.68Å; Y56-L81 HydrophobicContact CD2-CD1 3.82Å; Y56-L81 HydrophobicContact CE1-CD1 4.07Å; Y56-L81 HydrophobicContact CE1-CD2 3.52Å; Y56-L81 HydrophobicContact CE1-CG 4.4Å; Y56-L81 HydrophobicContact CE2-CD1 3.78Å; Y56-L81 HydrophobicContact CG-CD1 3.94Å; Y56-L81 HydrophobicContact CG-CD2 4.35Å; L59-L81 HydrophobicContact CD2-CD2 3.5Å; L59-L81 VanDerWaalsContact CD2-CD2 3.5Å; T77-L81 PolarHBondContact O-N 3.31Å; R78-L81 WeakPolarHBondContact O-CB 3.29Å; R78-L81 PolarHBondContact O-N 3.28Å; D79-L81 PolarHBondContact O-N 2.98Å; L81-T83 VanDerWaalsContact C-N 3.31Å; L81-T83 PolarHBondContact O-N 3.17Å; L81-C84 WeakPolarHBondContact O-CB 3.44Å; L81-C84 PolarHBondContact O-N 3.44Å; L81-C84 VanDerWaalsContact O-N 3.16Å; L81-L85 HydrophobicContact CD1-CD1 4.17Å; L81-L85 HydrophobicContact CD1-CD2 4.34Å; L81-L85 HydrophobicContact CD1-CG 4.01Å; L81-L85 HydrophobicContact CG-CD1 4.01Å; L81-L85 HydrophobicContact CG-CG 4.27Å; L81-L85 VanDerWaalsContact O-CG 3.32Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 3.49Å |
| 82 | N | 95.1 | Very high | 93.8 | Very high | 75 Ų | 75 | 83.9 Ų | 83.9 | 40% | 0.401 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 179.7 | -73.5 | -25.7 | 0 | 0 | 0 | 111.7 | R78 D79 L85 L86 | R78-N82 WeakPolarHBondContact O-CB 3.36Å; R78-N82 VanDerWaalsContact O-CG 3.3Å; R78-N82 PolarHBondContact O-N 2.97Å; R78-N82 PolarHBondContact O-ND2 3.37Å; D79-N82 PolarHBondContact O-N 3.33Å; N82-L85 PolarHBondContact O-N 2.75Å; N82-L86 VanDerWaalsContact O-CB 3.26Å; N82-L86 WeakPolarHBondContact O-CB 3.02Å; N82-L86 PolarHBondContact O-N 3.03Å |
| 83 | T | 95.9 | Very high | 94.2 | Very high | 99 Ų | 99 | 80.4 Ų | 80.4 | 61% | 0.607 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.3 | -44.9 | 174.1 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | D79 T80 L81 L86 S87 | D79-T83 PolarHBondContact O-N 2.91Å; D79-T83 PolarHBondContact O-OG1 3.05Å; D79-T83 VanDerWaalsContact O-OG1 3.07Å; T80-T83 PolarHBondContact O-N 3.22Å; L81-T83 VanDerWaalsContact C-N 3.31Å; L81-T83 PolarHBondContact O-N 3.17Å; T83-L86 PolarHBondContact O-N 3.44Å; T83-S87 PolarHBondContact O-N 2.9Å |
| 84 | C | 95.7 | Very high | 94.6 | Very high | 13 Ų | 13 | 73.4 Ų | 73.4 | 9% | 0.088 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.7 | -52.2 | 174.1 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | C52 E55 T80 L81 L86 S87 W88 | C52-C84 VanDerWaalsContact CA-SG 3.54Å; C52-C84 HydrophobicContact CB-CB 3.99Å; C52-C84 WeakPolarHBondContact CB-SG 3.31Å; C52-C84 WeakPolarHBondContact SG-CB 3.44Å; C52-C84 CovalentContact SG-SG 2.05Å; C52-C84 PolarHBondContact SG-SG 2.91Å; E55-C84 HydrophobicContact CG-CB 3.89Å; T80-C84 PolarHBondContact O-N 3.46Å; L81-C84 WeakPolarHBondContact O-CB 3.44Å; L81-C84 PolarHBondContact O-N 3.44Å; L81-C84 VanDerWaalsContact O-N 3.16Å; C84-L86 VanDerWaalsContact C-N 3.31Å; C84-L86 PolarHBondContact O-N 2.6Å; C84-S87 PolarHBondContact O-N 3.02Å; C84-S87 PolarHBondContact O-OG 3.1Å; C84-W88 VanDerWaalsContact O-CD1 3.29Å; C84-W88 PolarHBondContact O-N 2.97Å |
| 85 | L | 94.4 | Very high | 94.7 | Very high | 43 Ų | 43 | 75.3 Ų | 75.3 | 23% | 0.225 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.7 | -43.9 | -179.4 | -66.7 | 176.6 | 0 | 0 | 0 | 112 | V47 C52 Y56 L81 N82 W88 Y89 | V47-L85 HydrophobicContact CG1-CD2 3.56Å; C52-L85 HydrophobicContact CB-CD2 4.04Å; C52-L85 PolarHBondContact SG-N 3.12Å; Y56-L85 HydrophobicContact CE2-CD2 4.18Å; L81-L85 HydrophobicContact CD1-CD1 4.17Å; L81-L85 HydrophobicContact CD1-CD2 4.34Å; L81-L85 HydrophobicContact CD1-CG 4.01Å; L81-L85 HydrophobicContact CG-CD1 4.01Å; L81-L85 HydrophobicContact CG-CG 4.27Å; L81-L85 VanDerWaalsContact O-CG 3.32Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 3.49Å; N82-L85 PolarHBondContact O-N 2.75Å; L85-W88 PolarHBondContact O-N 3.3Å; L85-Y89 WeakPolarHBondContact O-CB 3.43Å; L85-Y89 PolarHBondContact O-N 2.96Å |
| 86 | L | 93.7 | Very high | 94.9 | Very high | 99 Ų | 99 | 76.3 Ų | 76.3 | 52% | 0.518 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | -178.3 | -160.5 | 69.2 | 0 | 0 | 0 | 112 | N82 T83 C84 W88 Y89 Y90 | N82-L86 VanDerWaalsContact O-CB 3.26Å; N82-L86 WeakPolarHBondContact O-CB 3.02Å; N82-L86 PolarHBondContact O-N 3.03Å; T83-L86 PolarHBondContact O-N 3.44Å; C84-L86 VanDerWaalsContact C-N 3.31Å; C84-L86 PolarHBondContact O-N 2.6Å; L86-W88 VanDerWaalsContact C-N 3.35Å; L86-W88 PolarHBondContact O-N 2.96Å; L86-Y89 PolarHBondContact O-N 3.44Å; L86-Y90 HydrophobicContact CD1-CD2 3.94Å; L86-Y90 HydrophobicContact CD1-CE2 3.37Å; L86-Y90 HydrophobicContact CG-CD2 3.95Å; L86-Y90 HydrophobicContact CG-CE2 3.83Å; L86-Y90 WeakPolarHBondContact O-CD2 3.24Å; L86-Y90 PolarHBondContact O-N 3.19Å |
| 87 | S | 95 | Very high | 95.1 | Very high | 66 Ų | 66 | 71.9 Ų | 71.9 | 46% | 0.462 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 179.1 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | T83 C84 D91 | T83-S87 PolarHBondContact O-N 2.9Å; C84-S87 PolarHBondContact O-N 3.02Å; C84-S87 PolarHBondContact O-OG 3.1Å; S87-D91 PolarHBondContact O-N 3.02Å |
| 88 | W | 95.2 | Very high | 95.3 | Very high | 73 Ų | 73 | 70.5 Ų | 70.5 | 28% | 0.277 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -79 | -26.2 | 179.3 | -68.8 | 104.5 | 0 | 0 | 0 | 113.7 | V47 K51 C84 L85 L86 Y90 F94 | V47-W88 HydrophobicContact CB-CB 4.34Å; V47-W88 HydrophobicContact CG1-CB 3.87Å; V47-W88 HydrophobicContact CG1-CG 4.37Å; V47-W88 HydrophobicContact CG2-CB 3.44Å; V47-W88 VanDerWaalsContact CG2-CB 3.44Å; V47-W88 HydrophobicContact CG2-CG 4.4Å; K51-W88 HydrophobicContact CB-CD2 4.12Å; K51-W88 HydrophobicContact CB-CG 4.01Å; K51-W88 HydrophobicContact CD-CD2 3.97Å; K51-W88 HydrophobicContact CD-CE3 4.13Å; K51-W88 HydrophobicContact CD-CH2 3.94Å; K51-W88 HydrophobicContact CD-CZ2 3.74Å; K51-W88 HydrophobicContact CD-CZ3 4.12Å; K51-W88 HydrophobicContact CG-CD2 3.77Å; K51-W88 HydrophobicContact CG-CE3 4.21Å; K51-W88 HydrophobicContact CG-CG 4.01Å; K51-W88 HydrophobicContact CG-CZ2 4.36Å; C84-W88 VanDerWaalsContact O-CD1 3.29Å; C84-W88 PolarHBondContact O-N 2.97Å; L85-W88 PolarHBondContact O-N 3.3Å; L86-W88 VanDerWaalsContact C-N 3.35Å; L86-W88 PolarHBondContact O-N 2.96Å; W88-Y90 VanDerWaalsContact C-N 3.31Å; W88-Y90 PolarHBondContact O-N 3.22Å; W88-F94 HydrophobicContact CE3-CB 4.35Å; W88-F94 HydrophobicContact CE3-CD2 4.46Å; W88-F94 HydrophobicContact CE3-CG 4.21Å |
| 89 | Y | 92.2 | Very high | 95.4 | Very high | 77 Ų | 77 | 66 Ų | 66 | 30% | 0.302 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.4 | -32.2 | 178.8 | -174.4 | -99.3 | 0 | 0 | 0 | 112.7 | P40 V43 L85 L86 V95 | P40-Y89 HydrophobicContact CB-CE2 4.26Å; V43-Y89 HydrophobicContact CG1-CD2 4.01Å; L85-Y89 WeakPolarHBondContact O-CB 3.43Å; L85-Y89 PolarHBondContact O-N 2.96Å; L86-Y89 PolarHBondContact O-N 3.44Å; Y89-V95 WeakPolarHBondContact O-CG2 3.45Å |
| 90 | Y | 92.2 | Very high | 95.5 | Very high | 162 Ų | 162 | 65.9 Ų | 65.9 | 64% | 0.635 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -103.5 | 4.5 | 178.3 | -64.4 | -62.7 | 0 | 0 | 0 | 114 | L86 W88 P92 | L86-Y90 HydrophobicContact CD1-CD2 3.94Å; L86-Y90 HydrophobicContact CD1-CE2 3.37Å; L86-Y90 HydrophobicContact CG-CD2 3.95Å; L86-Y90 HydrophobicContact CG-CE2 3.83Å; L86-Y90 WeakPolarHBondContact O-CD2 3.24Å; L86-Y90 PolarHBondContact O-N 3.19Å; W88-Y90 VanDerWaalsContact C-N 3.31Å; W88-Y90 PolarHBondContact O-N 3.22Å; Y90-P92 VanDerWaalsContact O-CD 3.31Å; Y90-P92 WeakPolarHBondContact O-CD 3.39Å |
| 91 | D | 95.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | trans | -66.5 | 114.3 | 175.2 | -175.9 | 123.1 | 0 | 0 | 0 | 109.1 | S87 D93 F94 V95 | S87-D91 PolarHBondContact O-N 3.02Å; D91-D93 VanDerWaalsContact C-N 3.29Å; D91-D93 PolarHBondContact O-N 3.05Å; D91-D93 WeakPolarHBondContact OD2-CB 3.35Å; D91-D93 PolarHBondContact OD2-N 3.32Å; D91-F94 HydrophobicContact CB-CB 3.88Å; D91-F94 PolarHBondContact O-N 2.9Å; D91-F94 PolarHBondContact OD2-N 2.97Å; D91-V95 WeakPolarHBondContact O-CB 3.34Å; D91-V95 VanDerWaalsContact O-CG2 3.24Å; D91-V95 WeakPolarHBondContact O-CG2 3.39Å; D91-V95 PolarHBondContact O-N 3.25Å | ||
| 92 | P | 95.7 | Very high | 95.5 | Very high | 97 Ų | 97 | 65.3 Ų | 65.3 | 63% | 0.63 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.2 | -33.4 | -173.2 | 27 | -34.2 | 0 | 0 | 0 | 112.2 | Y90 Q96 | Y90-P92 VanDerWaalsContact O-CD 3.31Å; Y90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-Q96 VanDerWaalsContact O-CB 3.24Å; P92-Q96 WeakPolarHBondContact O-CB 3.46Å; P92-Q96 PolarHBondContact O-N 3.32Å |
| 93 | D | 96.7 | Very high | 95.6 | Very high | 128 Ų | 128 | 63.1 Ų | 63.1 | 68% | 0.684 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -71.3 | -42.5 | -179.6 | -64.5 | -34.4 | 0 | 0 | 0 | 109.9 | D91 Q96 E97 | D91-D93 VanDerWaalsContact C-N 3.29Å; D91-D93 PolarHBondContact O-N 3.05Å; D91-D93 WeakPolarHBondContact OD2-CB 3.35Å; D91-D93 PolarHBondContact OD2-N 3.32Å; D93-Q96 PolarHBondContact O-N 2.82Å; D93-E97 WeakPolarHBondContact O-CB 3.23Å; D93-E97 PolarHBondContact O-N 2.69Å |
| 94 | F | 96.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 177.7 | -169.9 | -111.5 | 0 | 0 | 0 | 112.8 | V43 R46 V47 W88 D91 Q96 E97 C98 | V43-F94 HydrophobicContact CG1-CD1 4Å; V43-F94 HydrophobicContact CG1-CE1 3.94Å; R46-F94 HydrophobicContact CB-CE1 4.35Å; R46-F94 HydrophobicContact CB-CZ 3.68Å; V47-F94 HydrophobicContact CG2-CD1 4.19Å; V47-F94 HydrophobicContact CG2-CE1 3.5Å; V47-F94 HydrophobicContact CG2-CZ 4.26Å; W88-F94 HydrophobicContact CE3-CB 4.35Å; W88-F94 HydrophobicContact CE3-CD2 4.46Å; W88-F94 HydrophobicContact CE3-CG 4.21Å; D91-F94 HydrophobicContact CB-CB 3.88Å; D91-F94 PolarHBondContact O-N 2.9Å; D91-F94 PolarHBondContact OD2-N 2.97Å; F94-Q96 VanDerWaalsContact C-N 3.31Å; F94-E97 PolarHBondContact O-N 2.8Å; F94-C98 PolarHBondContact O-N 2.71Å; F94-C98 PolarHBondContact O-SG 3.04Å |
| 95 | V | 96.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | I39 V43 Y89 D91 C98 T99 | I39-V95 HydrophobicContact CG2-CG1 4.31Å; V43-V95 HydrophobicContact CG2-CG2 4.15Å; Y89-V95 WeakPolarHBondContact O-CG2 3.45Å; D91-V95 WeakPolarHBondContact O-CB 3.34Å; D91-V95 VanDerWaalsContact O-CG2 3.24Å; D91-V95 WeakPolarHBondContact O-CG2 3.39Å; D91-V95 PolarHBondContact O-N 3.25Å; V95-C98 PolarHBondContact O-N 3.34Å; V95-T99 WeakPolarHBondContact O-CB 3.39Å; V95-T99 PolarHBondContact O-N 3.49Å; V95-T99 PolarHBondContact O-OG1 2.99Å |
| 96 | Q | 97.1 | Very high | 95.5 | Very high | 116 Ų | 116 | 61.5 Ų | 61.5 | 54% | 0.542 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 177.4 | -177.3 | 67.7 | -19.9 | 0 | 0 | 111.7 | P92 D93 F94 C98 T99 V100 | P92-Q96 VanDerWaalsContact O-CB 3.24Å; P92-Q96 WeakPolarHBondContact O-CB 3.46Å; P92-Q96 PolarHBondContact O-N 3.32Å; D93-Q96 PolarHBondContact O-N 2.82Å; F94-Q96 VanDerWaalsContact C-N 3.31Å; Q96-C98 PolarHBondContact O-N 2.8Å; Q96-T99 WeakPolarHBondContact O-CB 3.46Å; Q96-T99 PolarHBondContact O-N 2.53Å; Q96-T99 VanDerWaalsContact O-N 3.12Å; Q96-V100 WeakPolarHBondContact O-CG2 3.5Å; Q96-V100 PolarHBondContact O-N 2.98Å |
| 97 | E | 96.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 58.7 Ų | 58.7 | 40% | 0.397 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56 | -52.3 | 173.8 | -170 | -166.2 | 143.6 | 0 | 0 | 110.9 | R46 D93 F94 T99 V100 E101 | R46-E97 IonicContact CZ-OE1 3.89Å; R46-E97 VanDerWaalsContact CZ-OE1 3.23Å; R46-E97 IonicContact NH1-OE1 2.84Å; R46-E97 PolarHBondContact NH1-OE1 3.38Å; R46-E97 IonicContact NH2-OE1 3.71Å; R46-E97 PolarHBondContact NH2-OE1 2.67Å; R46-E97 IonicContact NH2-OE2 2.69Å; D93-E97 WeakPolarHBondContact O-CB 3.23Å; D93-E97 PolarHBondContact O-N 2.69Å; F94-E97 PolarHBondContact O-N 2.8Å; E97-T99 PolarHBondContact O-N 3.15Å; E97-V100 PolarHBondContact O-N 2.87Å; E97-E101 WeakPolarHBondContact O-CG 3.45Å; E97-E101 PolarHBondContact O-N 2.73Å |
| 98 | C | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -32.4 | 177.1 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | V43 F94 V95 Q96 Y102 | V43-C98 HydrophobicContact CG2-CB 3.71Å; F94-C98 PolarHBondContact O-N 2.71Å; F94-C98 PolarHBondContact O-SG 3.04Å; V95-C98 PolarHBondContact O-N 3.34Å; Q96-C98 PolarHBondContact O-N 2.8Å; C98-Y102 WeakPolarHBondContact O-CB 3.11Å; C98-Y102 PolarHBondContact O-N 3.48Å |
| 99 | T | 96.9 | Very high | 95.3 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 8% | 0.08 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.3 | -45.8 | 177.6 | -62 | 0 | 0 | 0 | 0 | 111.3 | L30 I39 V95 Q96 E97 Y102 L103 | L30-T99 HydrophobicContact CD1-CG2 3.89Å; L30-T99 HydrophobicContact CD2-CG2 4.5Å; I39-T99 HydrophobicContact CD1-CG2 3.83Å; I39-T99 WeakPolarHBondContact CG2-OG1 3.36Å; V95-T99 WeakPolarHBondContact O-CB 3.39Å; V95-T99 PolarHBondContact O-N 3.49Å; V95-T99 PolarHBondContact O-OG1 2.99Å; Q96-T99 WeakPolarHBondContact O-CB 3.46Å; Q96-T99 PolarHBondContact O-N 2.53Å; Q96-T99 VanDerWaalsContact O-N 3.12Å; E97-T99 PolarHBondContact O-N 3.15Å; T99-Y102 WeakPolarHBondContact O-CB 2.89Å; T99-Y102 PolarHBondContact O-N 2.92Å; T99-L103 HydrophobicContact CG2-CD1 4.21Å; T99-L103 WeakPolarHBondContact O-CG 3.33Å; T99-L103 PolarHBondContact O-N 3.4Å |
| 100 | V | 96.8 | Very high | 95.3 | Very high | 67 Ų | 67 | 59.2 Ų | 59.2 | 41% | 0.406 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | Q96 E97 Y102 L103 E104 | Q96-V100 WeakPolarHBondContact O-CG2 3.5Å; Q96-V100 PolarHBondContact O-N 2.98Å; E97-V100 PolarHBondContact O-N 2.87Å; V100-Y102 VanDerWaalsContact C-N 3.27Å; V100-Y102 PolarHBondContact O-N 3.11Å; V100-L103 PolarHBondContact O-N 3.46Å; V100-L103 VanDerWaalsContact O-N 3.1Å; V100-E104 WeakPolarHBondContact O-CG 3.14Å; V100-E104 PolarHBondContact O-N 3.02Å |
| 101 | E | 95.9 | Very high | 95.3 | Very high | 38 Ų | 38 | 60.4 Ų | 60.4 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 176.3 | -67.1 | -170.1 | 134.5 | 0 | 0 | 112 | R46 E97 E104 D105 R118 | R46-E101 IonicContact CZ-OE2 3.23Å; R46-E101 IonicContact NE-OE2 2.71Å; R46-E101 VanDerWaalsContact NH1-CD 3.29Å; R46-E101 IonicContact NH1-OE1 3.71Å; R46-E101 IonicContact NH1-OE2 2.8Å; R46-E101 PolarHBondContact NH1-OE2 3.26Å; E97-E101 WeakPolarHBondContact O-CG 3.45Å; E97-E101 PolarHBondContact O-N 2.73Å; E101-E104 PolarHBondContact O-N 2.96Å; E101-D105 PolarHBondContact O-N 2.9Å; E101-R118 PolarHBondContact O-NH2 2.8Å; E101-R118 IonicContact OE1-NH1 3.56Å |
| 102 | Y | 96 | Very high | 95.1 | Very high | 26 Ų | 26 | 60.8 Ų | 60.8 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 175.6 | 171.2 | -108.4 | 0 | 0 | 0 | 112.6 | L30 E34 V38 I39 C98 T99 V100 E104 D105 R106 | L30-Y102 HydrophobicContact CD2-CD1 4.1Å; L30-Y102 HydrophobicContact CD2-CE1 4.09Å; E34-Y102 HydrophobicContact CB-CE1 3.82Å; E34-Y102 HydrophobicContact CG-CE1 3.92Å; E34-Y102 WeakPolarHBondContact CG-OH 3.39Å; E34-Y102 PolarHBondContact OE1-OH 2.9Å; V38-Y102 HydrophobicContact CB-CE2 4.49Å; V38-Y102 HydrophobicContact CG1-CD2 3.75Å; V38-Y102 HydrophobicContact CG1-CE2 3.52Å; V38-Y102 HydrophobicContact CG1-CG 4.48Å; I39-Y102 HydrophobicContact CD1-CD1 4.28Å; I39-Y102 HydrophobicContact CG1-CD1 4.1Å; I39-Y102 HydrophobicContact CG1-CG 4.33Å; C98-Y102 WeakPolarHBondContact O-CB 3.11Å; C98-Y102 PolarHBondContact O-N 3.48Å; T99-Y102 WeakPolarHBondContact O-CB 2.89Å; T99-Y102 PolarHBondContact O-N 2.92Å; V100-Y102 VanDerWaalsContact C-N 3.27Å; V100-Y102 PolarHBondContact O-N 3.11Å; Y102-E104 VanDerWaalsContact C-N 3.34Å; Y102-E104 PolarHBondContact O-N 3.39Å; Y102-D105 PolarHBondContact O-N 3.32Å; Y102-R106 VanDerWaalsContact O-CB 3.28Å; Y102-R106 WeakPolarHBondContact O-CB 3.39Å; Y102-R106 PolarHBondContact O-N 2.91Å |
| 103 | L | 95.8 | Very high | 94.8 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 179.8 | -71.4 | 173.6 | 0 | 0 | 0 | 111.7 | L28 L30 T99 V100 R106 S107 | L28-L103 HydrophobicContact CD2-CD1 4.31Å; L30-L103 HydrophobicContact CD2-CD2 3.87Å; L30-L103 HydrophobicContact CD2-CG 4.43Å; T99-L103 HydrophobicContact CG2-CD1 4.21Å; T99-L103 WeakPolarHBondContact O-CG 3.33Å; T99-L103 PolarHBondContact O-N 3.4Å; V100-L103 PolarHBondContact O-N 3.46Å; V100-L103 VanDerWaalsContact O-N 3.1Å; L103-R106 PolarHBondContact O-N 3.04Å; L103-S107 WeakPolarHBondContact O-CB 3.12Å; L103-S107 PolarHBondContact O-N 3.37Å |
| 104 | E | 95.3 | Very high | 94.4 | Very high | 100 Ų | 100 | 60.8 Ų | 60.8 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.8 | -50 | 173 | -69.3 | 171.7 | 165.7 | 0 | 0 | 111.9 | V100 E101 Y102 R106 S107 E108 R118 | V100-E104 WeakPolarHBondContact O-CG 3.14Å; V100-E104 PolarHBondContact O-N 3.02Å; E101-E104 PolarHBondContact O-N 2.96Å; Y102-E104 VanDerWaalsContact C-N 3.34Å; Y102-E104 PolarHBondContact O-N 3.39Å; E104-R106 PolarHBondContact O-N 2.67Å; E104-S107 WeakPolarHBondContact O-CB 3.39Å; E104-S107 PolarHBondContact O-N 2.96Å; E104-E108 PolarHBondContact O-N 3.22Å; E104-R118 IonicContact OE2-CZ 3.98Å; E104-R118 IonicContact OE2-NH1 3.63Å; E104-R118 PolarHBondContact OE2-NH1 2.84Å; E104-R118 IonicContact OE2-NH2 2.63Å; E104-R118 PolarHBondContact OE2-NH2 2.82Å |
| 105 | D | 95.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 177.8 | -74.9 | -24 | 0 | 0 | 0 | 111.2 | R42 E101 Y102 Y109 S116 R118 L119 | R42-D105 IonicContact CZ-OD2 3.66Å; R42-D105 VanDerWaalsContact CZ-OD2 3.23Å; R42-D105 IonicContact NH1-OD2 3.53Å; R42-D105 PolarHBondContact NH1-OD2 3.5Å; R42-D105 IonicContact NH2-OD2 3.67Å; R42-D105 PolarHBondContact NH2-OD2 3.36Å; E101-D105 PolarHBondContact O-N 2.9Å; Y102-D105 PolarHBondContact O-N 3.32Å; D105-Y109 WeakPolarHBondContact O-CB 3.19Å; D105-Y109 PolarHBondContact O-N 3.07Å; D105-S116 WeakPolarHBondContact OD1-CB 3.37Å; D105-S116 PolarHBondContact OD1-OG 3.37Å; D105-R118 IonicContact OD1-CZ 2.66Å; D105-R118 IonicContact OD1-NE 3.91Å; D105-R118 PolarHBondContact OD1-NE 2.66Å; D105-R118 IonicContact OD1-NH2 3.23Å; D105-R118 PolarHBondContact OD1-NH2 2.85Å; D105-R118 IonicContact OD2-NE 2.79Å; D105-R118 IonicContact OD2-NH2 3.6Å; D105-L119 HydrophobicContact CB-CD1 4.1Å |
| 106 | R | 93.8 | Very high | 93.9 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 6% | 0.06 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67 | -44.6 | 178.9 | -174 | 179.8 | 78.7 | 168.8 | -3.1 | 111.1 | D27 S29 E34 Y102 L103 E104 Y109 R110 | D27-R106 PolarHBondContact O-NH2 2.9Å; D27-R106 IonicContact OD2-NH2 2.84Å; S29-R106 VanDerWaalsContact O-CZ 3.3Å; S29-R106 PolarHBondContact O-NH1 3.39Å; S29-R106 PolarHBondContact O-NH2 3.44Å; E34-R106 WeakPolarHBondContact OE1-CD 3.46Å; E34-R106 IonicContact OE1-CZ 3.01Å; E34-R106 IonicContact OE1-NH1 3.35Å; E34-R106 PolarHBondContact OE1-NH1 2.99Å; E34-R106 IonicContact OE2-CZ 3.67Å; E34-R106 IonicContact OE2-NH1 3.75Å; E34-R106 PolarHBondContact OE2-NH1 3.14Å; Y102-R106 VanDerWaalsContact O-CB 3.28Å; Y102-R106 WeakPolarHBondContact O-CB 3.39Å; Y102-R106 PolarHBondContact O-N 2.91Å; L103-R106 PolarHBondContact O-N 3.04Å; E104-R106 PolarHBondContact O-N 2.67Å; R106-Y109 PolarHBondContact O-N 3.32Å; R106-R110 WeakPolarHBondContact O-CB 3.46Å; R106-R110 VanDerWaalsContact O-CG 3.31Å; R106-R110 WeakPolarHBondContact O-CG 3.34Å; R106-R110 PolarHBondContact O-N 2.89Å |
| 107 | S | 94 | Very high | 93.6 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | P25 L103 E104 Y109 R110 R111 | P25-S107 WeakPolarHBondContact O-CB 3.42Å; P25-S107 PolarHBondContact O-OG 2.91Å; L103-S107 WeakPolarHBondContact O-CB 3.12Å; L103-S107 PolarHBondContact O-N 3.37Å; E104-S107 WeakPolarHBondContact O-CB 3.39Å; E104-S107 PolarHBondContact O-N 2.96Å; S107-Y109 PolarHBondContact O-N 2.78Å; S107-R110 PolarHBondContact O-N 3.34Å; S107-R111 WeakPolarHBondContact O-CB 3.28Å; S107-R111 PolarHBondContact O-N 2.76Å |
| 108 | E | 93.6 | Very high | 93.4 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 178.2 | -170.3 | 179.6 | 172.1 | 0 | 0 | 112 | E104 R111 T112 S116 | E104-E108 PolarHBondContact O-N 3.22Å; E108-R111 PolarHBondContact O-N 2.88Å; E108-T112 HydrophobicContact CG-CG2 4.49Å; E108-T112 WeakPolarHBondContact O-CB 3.49Å; E108-T112 PolarHBondContact O-N 3.27Å; E108-T112 PolarHBondContact O-OG1 2.88Å; E108-S116 VanDerWaalsContact CD-CA 3.5Å; E108-S116 WeakPolarHBondContact OE2-CA 3.45Å; E108-S116 WeakPolarHBondContact OE2-CB 3.5Å |
| 109 | Y | 93.2 | Very high | 93 | Very high | 119 Ų | 119 | 60.6 Ų | 60.6 | 47% | 0.467 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 176.3 | -175.8 | -95.4 | 0 | 0 | 0 | 112.2 | D105 R106 S107 G113 R114 | D105-Y109 WeakPolarHBondContact O-CB 3.19Å; D105-Y109 PolarHBondContact O-N 3.07Å; R106-Y109 PolarHBondContact O-N 3.32Å; S107-Y109 PolarHBondContact O-N 2.78Å; Y109-G113 WeakPolarHBondContact O-CA 3.16Å; Y109-G113 PolarHBondContact O-N 3.36Å; Y109-R114 WeakPolarHBondContact CA-O 3.32Å; Y109-R114 WeakPolarHBondContact CD2-O 3.32Å |
| 110 | R | 91.8 | Very high | 92.7 | Very high | 42 Ų | 42 | 65.7 Ų | 65.7 | 16% | 0.158 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 175.8 | -73.3 | 178.2 | -176 | 179.2 | 3.9 | 111.9 | D24 P25 D27 R106 S107 | D24-R110 WeakPolarHBondContact O-CD 3.31Å; D24-R110 PolarHBondContact O-NH1 2.04Å; P25-R110 HydrophobicContact CB-CB 4.21Å; P25-R110 HydrophobicContact CG-CB 4.13Å; D27-R110 IonicContact OD2-CZ 3.99Å; D27-R110 IonicContact OD2-NH1 3.42Å; D27-R110 PolarHBondContact OD2-NH1 2.88Å; D27-R110 IonicContact OD2-NH2 3.18Å; R106-R110 WeakPolarHBondContact O-CB 3.46Å; R106-R110 VanDerWaalsContact O-CG 3.31Å; R106-R110 WeakPolarHBondContact O-CG 3.34Å; R106-R110 PolarHBondContact O-N 2.89Å; S107-R110 PolarHBondContact O-N 3.34Å |
| 111 | R | 91.1 | Very high | 92.3 | Very high | 188 Ų | 188 | 69.7 Ų | 69.7 | 71% | 0.709 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.9 | -42.5 | 178.2 | -171.4 | -177.9 | 75.2 | 136.6 | -0.7 | 113 | P25 S107 E108 | P25-R111 HydrophobicContact CB-CB 4.29Å; P25-R111 HydrophobicContact CG-CB 4.38Å; S107-R111 WeakPolarHBondContact O-CB 3.28Å; S107-R111 PolarHBondContact O-N 2.76Å; E108-R111 PolarHBondContact O-N 2.88Å |
| 112 | T | 91.3 | Very high | 91.9 | Very high | 55 Ų | 55 | 72.9 Ų | 72.9 | 34% | 0.337 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -115 | -17.2 | -166.3 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | E108 R114 | E108-T112 HydrophobicContact CG-CG2 4.49Å; E108-T112 WeakPolarHBondContact O-CB 3.49Å; E108-T112 PolarHBondContact O-N 3.27Å; E108-T112 PolarHBondContact O-OG1 2.88Å; T112-R114 PolarHBondContact O-N 3Å; T112-R114 WeakPolarHBondContact OG1-CB 3.46Å; T112-R114 PolarHBondContact OG1-N 3.28Å |
| 113 | G | 89.5 | Confident | 91.4 | Very high | 41 Ų | 41 | 75.6 Ų | 75.6 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 69.2 | 8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y109 | Y109-G113 WeakPolarHBondContact O-CA 3.16Å; Y109-G113 PolarHBondContact O-N 3.36Å |
| 114 | R | 89.7 | Confident | 90.9 | Very high | 183 Ų | 183 | 75.8 Ų | 75.8 | 69% | 0.691 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -113.4 | 150.8 | -176.8 | -59.6 | 180 | -176.8 | -131.2 | 1.7 | 110.5 | Y109 T112 | Y109-R114 WeakPolarHBondContact CA-O 3.32Å; Y109-R114 WeakPolarHBondContact CD2-O 3.32Å; T112-R114 PolarHBondContact O-N 3Å; T112-R114 WeakPolarHBondContact OG1-CB 3.46Å; T112-R114 PolarHBondContact OG1-N 3.28Å |
| 115 | M | 89.2 | Confident | 90.4 | Very high | 26 Ų | 26 | 75 Ų | 75 | 13% | 0.128 | 36% | 0.362 | C | S | . | . | trans | -66.9 | 144.9 | 170.6 | -73 | 168.4 | 38.2 | 0 | 0 | 110.3 | L119 R120 M123 F128 | M115-L119 HydrophobicContact CE-CB 4Å; M115-R120 HydrophobicContact CB-CG 4.12Å; M115-R120 HydrophobicContact CE-CG 4.15Å; M115-R120 WeakPolarHBondContact O-CD 3.33Å; M115-M123 HydrophobicContact CE-CG 4.38Å; M115-M123 HydrophobicContact CE-SD 3.47Å; M115-M123 WeakPolarHBondContact CE-SD 3.32Å; M115-M123 HydrophobicContact SD-SD 4.31Å; M115-F128 HydrophobicContact CB-CE2 4.41Å; M115-F128 HydrophobicContact CE-CD2 3.85Å; M115-F128 HydrophobicContact CE-CE2 4.21Å; M115-F128 HydrophobicContact SD-CD2 4.06Å; M115-F128 HydrophobicContact SD-CE2 4.07Å | ||
| 116 | S | 92.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 81.6 Ų | 81.6 | 1% | 0.014 | 39% | 0.393 | C | S | . | . | trans | -58.9 | 154 | 174.9 | 67.4 | 0 | 0 | 0 | 0 | 113 | D105 E108 R118 L119 R120 | D105-S116 WeakPolarHBondContact OD1-CB 3.37Å; D105-S116 PolarHBondContact OD1-OG 3.37Å; E108-S116 VanDerWaalsContact CD-CA 3.5Å; E108-S116 WeakPolarHBondContact OE2-CA 3.45Å; E108-S116 WeakPolarHBondContact OE2-CB 3.5Å; S116-R118 PolarHBondContact O-N 3.04Å; S116-L119 PolarHBondContact O-N 2.97Å; S116-L119 WeakPolarHBondContact OG-CG 3.37Å; S116-L119 PolarHBondContact OG-N 3.28Å; S116-R120 VanDerWaalsContact O-CG 3.29Å; S116-R120 WeakPolarHBondContact O-CG 3.46Å; S116-R120 PolarHBondContact O-N 2.93Å | ||
| 117 | E | 91.5 | Very high | 89.6 | Confident | 114 Ų | 114 | 82.5 Ų | 82.5 | 53% | 0.533 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.7 | -38.6 | 175.9 | -169.8 | -177.5 | 165.9 | 0 | 0 | 111.8 | R120 K121 | E117-R120 PolarHBondContact O-N 2.78Å; E117-K121 HydrophobicContact CG-CD 4.33Å; E117-K121 WeakPolarHBondContact O-CG 3.31Å; E117-K121 PolarHBondContact O-N 2.92Å; E117-K121 WeakPolarHBondContact OE1-CE 3.44Å; E117-K121 IonicContact OE1-NZ 3.44Å; E117-K121 PolarHBondContact OE1-NZ 2.84Å |
| 118 | R | 91.2 | Very high | 89.3 | Confident | 65 Ų | 65 | 82.6 Ų | 82.6 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -55.6 | -53 | 175 | 177 | 175.1 | 52.5 | -140.5 | -13.4 | 111.5 | E101 E104 D105 S116 R120 K121 Q122 | E101-R118 PolarHBondContact O-NH2 2.8Å; E101-R118 IonicContact OE1-NH1 3.56Å; E104-R118 IonicContact OE2-CZ 3.98Å; E104-R118 IonicContact OE2-NH1 3.63Å; E104-R118 PolarHBondContact OE2-NH1 2.84Å; E104-R118 IonicContact OE2-NH2 2.63Å; E104-R118 PolarHBondContact OE2-NH2 2.82Å; D105-R118 IonicContact OD1-CZ 2.66Å; D105-R118 IonicContact OD1-NE 3.91Å; D105-R118 PolarHBondContact OD1-NE 2.66Å; D105-R118 IonicContact OD1-NH2 3.23Å; D105-R118 PolarHBondContact OD1-NH2 2.85Å; D105-R118 IonicContact OD2-NE 2.79Å; D105-R118 IonicContact OD2-NH2 3.6Å; S116-R118 PolarHBondContact O-N 3.04Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 3.42Å; R118-K121 PolarHBondContact O-N 3.3Å; R118-Q122 WeakPolarHBondContact O-CG 3.5Å; R118-Q122 PolarHBondContact O-N 2.63Å |
| 119 | L | 90 | Very high | 89.1 | Confident | 39 Ų | 39 | 84.3 Ų | 84.3 | 20% | 0.204 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 179.5 | -68.5 | 176.2 | 0 | 0 | 0 | 112 | D105 M115 S116 K121 Q122 M123 | D105-L119 HydrophobicContact CB-CD1 4.1Å; M115-L119 HydrophobicContact CE-CB 4Å; S116-L119 PolarHBondContact O-N 2.97Å; S116-L119 WeakPolarHBondContact OG-CG 3.37Å; S116-L119 PolarHBondContact OG-N 3.28Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 3.36Å; L119-Q122 PolarHBondContact O-N 3.4Å; L119-M123 WeakPolarHBondContact O-CG 3.48Å; L119-M123 PolarHBondContact O-N 3.3Å |
| 120 | R | 89.3 | Confident | 89 | Confident | 120 Ų | 120 | 85.1 Ų | 85.1 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.6 | -70 | 172.7 | 68.8 | -159.8 | -2.7 | 111.8 | M115 S116 E117 R118 G124 F128 | M115-R120 HydrophobicContact CB-CG 4.12Å; M115-R120 HydrophobicContact CE-CG 4.15Å; M115-R120 WeakPolarHBondContact O-CD 3.33Å; S116-R120 VanDerWaalsContact O-CG 3.29Å; S116-R120 WeakPolarHBondContact O-CG 3.46Å; S116-R120 PolarHBondContact O-N 2.93Å; E117-R120 PolarHBondContact O-N 2.78Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 3.42Å; R120-G124 PolarHBondContact O-N 2.87Å; R120-F128 HydrophobicContact CG-CD2 3.89Å; R120-F128 HydrophobicContact CG-CE2 3.75Å; R120-F128 HydrophobicContact CG-CZ 4.34Å |
| 121 | K | 89 | Confident | 88.9 | Confident | 150 Ų | 150 | 85.7 Ų | 85.7 | 65% | 0.652 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 175.2 | -73 | 174.4 | -179.7 | 168.2 | 0 | 111.8 | E117 R118 L119 M123 | E117-K121 HydrophobicContact CG-CD 4.33Å; E117-K121 WeakPolarHBondContact O-CG 3.31Å; E117-K121 PolarHBondContact O-N 2.92Å; E117-K121 WeakPolarHBondContact OE1-CE 3.44Å; E117-K121 IonicContact OE1-NZ 3.44Å; E117-K121 PolarHBondContact OE1-NZ 2.84Å; R118-K121 PolarHBondContact O-N 3.3Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 3.36Å; K121-M123 PolarHBondContact O-N 3.33Å |
| 122 | Q | 87.2 | Confident | 88.7 | Confident | 106 Ų | 106 | 80.6 Ų | 80.6 | 50% | 0.495 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.9 | -32.2 | -179.9 | -72.5 | 178.5 | -4.3 | 0 | 0 | 113.9 | R118 L119 | R118-Q122 WeakPolarHBondContact O-CG 3.5Å; R118-Q122 PolarHBondContact O-N 2.63Å; L119-Q122 PolarHBondContact O-N 3.4Å |
| 123 | M | 85.5 | Confident | 88.6 | Confident | 83 Ų | 83 | 83 Ų | 83 | 41% | 0.409 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -83.1 | -28.3 | -179.3 | -69.1 | -166.4 | 66.6 | 0 | 0 | 113.9 | M115 L119 K121 A127 I131 | M115-M123 HydrophobicContact CE-CG 4.38Å; M115-M123 HydrophobicContact CE-SD 3.47Å; M115-M123 WeakPolarHBondContact CE-SD 3.32Å; M115-M123 HydrophobicContact SD-SD 4.31Å; L119-M123 WeakPolarHBondContact O-CG 3.48Å; L119-M123 PolarHBondContact O-N 3.3Å; K121-M123 PolarHBondContact O-N 3.33Å; M123-A127 HydrophobicContact CB-CB 4.22Å; M123-A127 HydrophobicContact CE-CB 4Å; M123-A127 VanDerWaalsContact O-CB 3.31Å; M123-A127 WeakPolarHBondContact O-CB 3.14Å; M123-I131 HydrophobicContact CE-CD1 3.25Å; M123-I131 HydrophobicContact SD-CD1 3.99Å |
| 124 | G | 85.3 | Confident | 88.7 | Confident | 32 Ų | 32 | 85.4 Ų | 85.4 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | trans | 80.1 | 157.5 | -171 | 0 | 0 | 0 | 0 | 0 | 113.5 | R120 E126 A127 F128 | R120-G124 PolarHBondContact O-N 2.87Å; G124-E126 PolarHBondContact O-N 2.92Å; G124-A127 PolarHBondContact O-N 2.84Å; G124-F128 PolarHBondContact O-N 2.83Å; G124-F128 VanDerWaalsContact O-N 3.16Å | ||
| 125 | A | 84.2 | Confident | 88.6 | Confident | 83 Ų | 83 | 79.6 Ų | 79.6 | 69% | 0.686 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.6 | -42.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F128 E129 | A125-F128 PolarHBondContact O-N 3.42Å; A125-E129 WeakPolarHBondContact O-CB 3.23Å; A125-E129 PolarHBondContact O-N 2.7Å |
| 126 | E | 84.5 | Confident | 88.5 | Confident | 144 Ų | 144 | 80.7 Ų | 80.7 | 67% | 0.673 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | -178.1 | -60.8 | -174.6 | 165.4 | 0 | 0 | 112.6 | G124 F128 E129 K130 | G124-E126 PolarHBondContact O-N 2.92Å; E126-F128 VanDerWaalsContact C-N 3.34Å; E126-E129 PolarHBondContact O-N 2.59Å; E126-K130 VanDerWaalsContact O-CG 3.31Å; E126-K130 WeakPolarHBondContact O-CG 3.46Å; E126-K130 PolarHBondContact O-N 3.39Å |
| 127 | A | 88.8 | Confident | 88.4 | Confident | 35 Ų | 35 | 89.4 Ų | 89.4 | 29% | 0.289 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M123 G124 K130 I131 | M123-A127 HydrophobicContact CB-CB 4.22Å; M123-A127 HydrophobicContact CE-CB 4Å; M123-A127 VanDerWaalsContact O-CB 3.31Å; M123-A127 WeakPolarHBondContact O-CB 3.14Å; G124-A127 PolarHBondContact O-N 2.84Å; A127-K130 PolarHBondContact O-N 3.03Å; A127-I131 WeakPolarHBondContact O-CG1 3.45Å; A127-I131 PolarHBondContact O-N 3.18Å; A127-I131 VanDerWaalsContact O-N 3.17Å |
| 128 | F | 88.1 | Confident | 88.1 | Confident | 41 Ų | 41 | 87 Ų | 87 | 18% | 0.18 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.3 | -176.9 | -103.1 | 0 | 0 | 0 | 112.1 | M115 R120 G124 A125 E126 K130 I131 E132 | M115-F128 HydrophobicContact CB-CE2 4.41Å; M115-F128 HydrophobicContact CE-CD2 3.85Å; M115-F128 HydrophobicContact CE-CE2 4.21Å; M115-F128 HydrophobicContact SD-CD2 4.06Å; M115-F128 HydrophobicContact SD-CE2 4.07Å; R120-F128 HydrophobicContact CG-CD2 3.89Å; R120-F128 HydrophobicContact CG-CE2 3.75Å; R120-F128 HydrophobicContact CG-CZ 4.34Å; G124-F128 PolarHBondContact O-N 2.83Å; G124-F128 VanDerWaalsContact O-N 3.16Å; A125-F128 PolarHBondContact O-N 3.42Å; E126-F128 VanDerWaalsContact C-N 3.34Å; F128-K130 VanDerWaalsContact C-N 3.32Å; F128-K130 PolarHBondContact O-N 3.36Å; F128-I131 PolarHBondContact O-N 3.33Å; F128-I131 VanDerWaalsContact O-N 3.15Å; F128-E132 HydrophobicContact CD1-CG 4.21Å; F128-E132 HydrophobicContact CE1-CG 3.72Å; F128-E132 HydrophobicContact CE2-CG 4.14Å; F128-E132 HydrophobicContact CZ-CG 3.67Å; F128-E132 PolarHBondContact O-N 3.38Å |
| 129 | E | 88.3 | Confident | 87.8 | Confident | 102 Ų | 102 | 93.8 Ų | 93.8 | 48% | 0.477 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 178.6 | -170.5 | -173.1 | 177 | 0 | 0 | 112 | A125 E126 I131 E132 K133 | A125-E129 WeakPolarHBondContact O-CB 3.23Å; A125-E129 PolarHBondContact O-N 2.7Å; E126-E129 PolarHBondContact O-N 2.59Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 PolarHBondContact O-N 3.2Å; E129-E132 PolarHBondContact O-N 2.92Å; E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 WeakPolarHBondContact O-CB 3.39Å; E129-K133 WeakPolarHBondContact O-CG 3.19Å; E129-K133 PolarHBondContact O-N 3.24Å; E129-K133 WeakPolarHBondContact OE1-CE 3.24Å; E129-K133 IonicContact OE1-NZ 3.71Å; E129-K133 PolarHBondContact OE1-NZ 2.91Å |
| 130 | K | 92.2 | Very high | 87.3 | Confident | 137 Ų | 137 | 100.9 Ų | 100.9 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 175.3 | -74 | 172.3 | -174.7 | 172.2 | 0 | 111.6 | E126 A127 F128 T134 | E126-K130 VanDerWaalsContact O-CG 3.31Å; E126-K130 WeakPolarHBondContact O-CG 3.46Å; E126-K130 PolarHBondContact O-N 3.39Å; A127-K130 PolarHBondContact O-N 3.03Å; F128-K130 VanDerWaalsContact C-N 3.32Å; F128-K130 PolarHBondContact O-N 3.36Å; K130-T134 WeakPolarHBondContact O-CB 3.42Å; K130-T134 PolarHBondContact O-N 3.29Å; K130-T134 PolarHBondContact O-OG1 2.86Å |
| 131 | I | 87.9 | Confident | 86.3 | Confident | 54 Ų | 54 | 106.8 Ų | 106.8 | 28% | 0.277 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 177.6 | -71.2 | 174.2 | 0 | 0 | 0 | 111.1 | M123 A127 F128 E129 K133 T134 K135 | M123-I131 HydrophobicContact CE-CD1 3.25Å; M123-I131 HydrophobicContact SD-CD1 3.99Å; A127-I131 WeakPolarHBondContact O-CG1 3.45Å; A127-I131 PolarHBondContact O-N 3.18Å; A127-I131 VanDerWaalsContact O-N 3.17Å; F128-I131 PolarHBondContact O-N 3.33Å; F128-I131 VanDerWaalsContact O-N 3.15Å; E129-I131 VanDerWaalsContact C-N 3.33Å; E129-I131 PolarHBondContact O-N 3.2Å; I131-K133 PolarHBondContact O-N 2.77Å; I131-T134 WeakPolarHBondContact O-CB 3.45Å; I131-T134 PolarHBondContact O-N 2.85Å; I131-T134 VanDerWaalsContact O-N 3.11Å; I131-K135 HydrophobicContact CG2-CD 4.17Å; I131-K135 HydrophobicContact CG2-CG 4.45Å; I131-K135 WeakPolarHBondContact O-CG 3.43Å; I131-K135 PolarHBondContact O-N 3.21Å |
| 132 | E | 87.7 | Confident | 86.2 | Confident | 80 Ų | 80 | 104.7 Ų | 104.7 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | -179.8 | -70.9 | -63.1 | 108.8 | 0 | 0 | 111.6 | F128 E129 T134 K135 A136 | F128-E132 HydrophobicContact CD1-CG 4.21Å; F128-E132 HydrophobicContact CE1-CG 3.72Å; F128-E132 HydrophobicContact CE2-CG 4.14Å; F128-E132 HydrophobicContact CZ-CG 3.67Å; F128-E132 PolarHBondContact O-N 3.38Å; E129-E132 PolarHBondContact O-N 2.92Å; E132-T134 VanDerWaalsContact C-N 3.27Å; E132-T134 PolarHBondContact O-N 3.19Å; E132-K135 PolarHBondContact O-N 2.77Å; E132-K135 IonicContact OE1-NZ 2.83Å; E132-A136 VanDerWaalsContact O-CB 3.32Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 2.82Å |
| 133 | K | 89.5 | Confident | 86.1 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 46% | 0.457 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | 172.2 | -76 | 177.4 | -178.9 | 170.4 | 0 | 111.8 | E129 I131 R137 | E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 WeakPolarHBondContact O-CB 3.39Å; E129-K133 WeakPolarHBondContact O-CG 3.19Å; E129-K133 PolarHBondContact O-N 3.24Å; E129-K133 WeakPolarHBondContact OE1-CE 3.24Å; E129-K133 IonicContact OE1-NZ 3.71Å; E129-K133 PolarHBondContact OE1-NZ 2.91Å; I131-K133 PolarHBondContact O-N 2.77Å; K133-R137 VanDerWaalsContact O-CG 3.23Å; K133-R137 WeakPolarHBondContact O-CG 3.22Å; K133-R137 PolarHBondContact O-N 3.04Å |
| 134 | T | 91.6 | Very high | 86.2 | Confident | 92 Ų | 92 | 105.8 Ų | 105.8 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.1 | -44.8 | 179.4 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | K130 I131 E132 R137 A138 | K130-T134 WeakPolarHBondContact O-CB 3.42Å; K130-T134 PolarHBondContact O-N 3.29Å; K130-T134 PolarHBondContact O-OG1 2.86Å; I131-T134 WeakPolarHBondContact O-CB 3.45Å; I131-T134 PolarHBondContact O-N 2.85Å; I131-T134 VanDerWaalsContact O-N 3.11Å; E132-T134 VanDerWaalsContact C-N 3.27Å; E132-T134 PolarHBondContact O-N 3.19Å; T134-R137 PolarHBondContact O-N 2.66Å; T134-A138 PolarHBondContact O-N 3.14Å |
| 135 | K | 86.7 | Confident | 86.2 | Confident | 61 Ų | 61 | 110.1 Ų | 110.1 | 27% | 0.265 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 174.4 | -72 | 178.6 | -177.7 | 172.1 | 0 | 111.8 | I131 E132 R137 A138 R139 | I131-K135 HydrophobicContact CG2-CD 4.17Å; I131-K135 HydrophobicContact CG2-CG 4.45Å; I131-K135 WeakPolarHBondContact O-CG 3.43Å; I131-K135 PolarHBondContact O-N 3.21Å; E132-K135 PolarHBondContact O-N 2.77Å; E132-K135 IonicContact OE1-NZ 2.83Å; K135-R137 VanDerWaalsContact C-N 3.3Å; K135-R137 PolarHBondContact O-N 3.03Å; K135-A138 PolarHBondContact O-N 2.91Å; K135-R139 WeakPolarHBondContact O-CG 3.38Å; K135-R139 PolarHBondContact O-N 3.15Å |
| 136 | A | 86.9 | Confident | 86.4 | Confident | 50 Ų | 50 | 111.8 Ų | 111.8 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E132 | E132-A136 VanDerWaalsContact O-CB 3.32Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 2.82Å |
| 137 | R | 90.2 | Very high | 86.5 | Confident | 184 Ų | 184 | 109.7 Ų | 109.7 | 69% | 0.694 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | 173 | -73 | 171 | -177.4 | -160.5 | 0.2 | 112.2 | K133 T134 K135 K140 | K133-R137 VanDerWaalsContact O-CG 3.23Å; K133-R137 WeakPolarHBondContact O-CG 3.22Å; K133-R137 PolarHBondContact O-N 3.04Å; T134-R137 PolarHBondContact O-N 2.66Å; K135-R137 VanDerWaalsContact C-N 3.3Å; K135-R137 PolarHBondContact O-N 3.03Å; R137-K140 PolarHBondContact O-N 3.21Å |
| 138 | A | 87.2 | Confident | 86.3 | Confident | 63 Ų | 63 | 115 Ų | 115 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T134 K135 K140 K141 | T134-A138 PolarHBondContact O-N 3.14Å; K135-A138 PolarHBondContact O-N 2.91Å; A138-K140 VanDerWaalsContact C-N 3.25Å; A138-K140 PolarHBondContact O-N 2.99Å; A138-K141 PolarHBondContact O-N 2.91Å |
| 139 | R | 83.4 | Confident | 86.2 | Confident | 208 Ų | 208 | 120.7 Ų | 120.7 | 79% | 0.785 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -17.8 | 176.4 | -70 | 178.9 | -175.1 | -159 | 1.8 | 114.5 | K135 | K135-R139 WeakPolarHBondContact O-CG 3.38Å; K135-R139 PolarHBondContact O-N 3.15Å |
| 140 | K | 80.9 | Confident | 86 | Confident | 189 Ų | 189 | 122.3 Ų | 122.3 | 82% | 0.822 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -5.3 | 178.8 | -71.6 | -178 | 177.8 | -171.9 | 0 | 113.3 | R137 A138 | R137-K140 PolarHBondContact O-N 3.21Å; A138-K140 VanDerWaalsContact C-N 3.25Å; A138-K140 PolarHBondContact O-N 2.99Å |
| 141 | K | 68 | Low | 85.4 | Confident | 244 Ų | 244 | 120.9 Ų | 120.9 | 100% | 1.061 | 57% | 0.567 | S | S | * | * | trans | -99.5 | 0 | 174.7 | -67.8 | -172.8 | 175.8 | -172 | 0 | 109.5 | A138 | A138-K141 PolarHBondContact O-N 2.91Š|
Retrieved 141 of 141 residues in 282 ms
(Link to these results)