| 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 | 41.1 | Very low | 42.4 | Very low | 256 Ų | 256 | 148.3 Ų | 148.3 | 100% | 1.261 | 86% | 0.86 | S | S | * | * | 0 | 115.9 | 0 | -64 | -174.9 | 178.7 | 0 | 0 | 106.1 | |||||
| 2 | G | 46.2 | Very low | 42.3 | Very low | 76 Ų | 76 | 151.7 Ų | 151.7 | 78% | 0.784 | 86% | 0.862 | S | S | * | * | cis | -153.7 | 132.8 | -16.1 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 3 | E | 46.8 | Very low | 42.8 | Very low | 204 Ų | 204 | 153.1 Ų | 153.1 | 95% | 0.953 | 86% | 0.857 | S | S | * | * | trans | -102.7 | 137.7 | 177 | -59.2 | -137.4 | 109.6 | 0 | 0 | 108.7 | ||||
| 4 | A | 46 | Very low | 42.7 | Very low | 96 Ų | 96 | 154.4 Ų | 154.4 | 79% | 0.793 | 85% | 0.849 | S | S | * | * | trans | -86.1 | 159.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 5 | D | 41 | Very low | 42.9 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | trans | 96 | 154.5 | 149.4 | -141.8 | -89.7 | 0 | 0 | 0 | 119.3 | ||||
| 6 | V | 40.8 | Very low | 43.1 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 66% | 0.661 | 83% | 0.831 | S | S | * | * | trans | 92.4 | 86 | 176.1 | -165.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 7 | T | 38.7 | Very low | 42.8 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -120 | 100.9 | 138.8 | 47.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | L | 45.3 | Very low | 43.3 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -84.6 | 121.8 | 166.6 | -167.8 | 106.1 | 0 | 0 | 0 | 108.5 | ||||
| 9 | S | 37.8 | Very low | 43.1 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -167.5 | 137.9 | 161.4 | -50.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 10 | Q | 39.5 | Very low | 43.4 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | cis | -161.4 | 144.5 | -8.4 | -107.1 | 174.6 | 21.7 | 0 | 0 | 104.2 | ||||
| 11 | T | 43.2 | Very low | 43.2 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -60.3 | 126.7 | 168.9 | -41.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 12 | E | 41.2 | Very low | 43.4 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -133.5 | 105.5 | 155.9 | -159.5 | 157.2 | 88.4 | 0 | 0 | 108.8 | K14 | E12-K14 PolarHBondContact O-N 3.36Š| ||
| 13 | E | 48.9 | Very low | 43.3 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -67.4 | 112.5 | 169.2 | -176.2 | -145.9 | 122.8 | 0 | 0 | 108.1 | ||||
| 14 | K | 42 | Very low | 43.4 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | -103.2 | 127.8 | 167.6 | -173.3 | 175 | 174.2 | 175.9 | 0 | 107.6 | E12 | E12-K14 PolarHBondContact O-N 3.36Š| ||
| 15 | P | 45.6 | Very low | 44.1 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 58% | 0.578 | 73% | 0.73 | S | S | * | * | trans | -61.1 | 156.2 | -178.5 | 26.6 | -34.1 | 0 | 0 | 0 | 110 | D17 | P15-D17 PolarHBondContact O-N 2.95Š| ||
| 16 | P | 46.3 | Very low | 45.6 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | trans | -67.1 | 90.3 | 169.1 | 29.4 | -31.6 | 0 | 0 | 0 | 107.6 | S18 | P16-S18 VanDerWaalsContact C-N 3.35Å; P16-S18 PolarHBondContact O-N 2.72Å | ||
| 17 | D | 38.2 | Very low | 47.8 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | trans | -54.6 | 106.9 | 158.5 | -165.6 | -26.3 | 0 | 0 | 0 | 105.3 | P15 A19 | P15-D17 PolarHBondContact O-N 2.95Å; D17-A19 PolarHBondContact O-N 3.36Å | ||
| 18 | S | 50.6 | Low | 50.3 | Low | 103 Ų | 103 | 119.6 Ų | 119.6 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | trans | -65.8 | 74.9 | 169.5 | -177.2 | 0 | 0 | 0 | 0 | 106.4 | P16 L20 | P16-S18 VanDerWaalsContact C-N 3.35Å; P16-S18 PolarHBondContact O-N 2.72Å; S18-L20 PolarHBondContact O-N 2.96Å | ||
| 19 | A | 40.4 | Very low | 52.6 | Low | 73 Ų | 73 | 115 Ų | 115 | 60% | 0.603 | 66% | 0.659 | S | S | * | * | trans | -61.3 | 92.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | D17 V21 | D17-A19 PolarHBondContact O-N 3.36Å; A19-V21 WeakPolarHBondContact O-CG2 3.43Å; A19-V21 PolarHBondContact O-N 2.78Å | ||
| 20 | L | 48 | Very low | 55.3 | Low | 157 Ų | 157 | 112.3 Ų | 112.3 | 82% | 0.822 | 64% | 0.64 | S | S | * | * | trans | -57.5 | 95.2 | 157.9 | -81.1 | 160.4 | 0 | 0 | 0 | 105.9 | S18 P22 | S18-L20 PolarHBondContact O-N 2.96Å; L20-P22 VanDerWaalsContact O-CD 3.28Å; L20-P22 WeakPolarHBondContact O-CD 3.5Å | ||
| 21 | V | 40.3 | Very low | 57.9 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 60% | 0.6 | 63% | 0.633 | S | S | * | * | trans | -63.3 | 120.4 | 171.9 | -164.6 | 0 | 0 | 0 | 0 | 106.1 | A19 G23 | A19-V21 WeakPolarHBondContact O-CG2 3.43Å; A19-V21 PolarHBondContact O-N 2.78Å; V21-G23 PolarHBondContact O-N 2.94Å | ||
| 22 | P | 44.3 | Very low | 60.3 | Low | 131 Ų | 131 | 111.8 Ų | 111.8 | 85% | 0.851 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 27 | -179.7 | -15.3 | 30.4 | 0 | 0 | 0 | 113.9 | L20 | L20-P22 VanDerWaalsContact O-CD 3.28Å; L20-P22 WeakPolarHBondContact O-CD 3.5Å |
| 23 | G | 45.2 | Very low | 62.9 | Low | 56 Ų | 56 | 104.2 Ų | 104.2 | 58% | 0.577 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | -5.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V21 | V21-G23 PolarHBondContact O-N 2.94Š|
| 24 | E | 48.9 | Very low | 65.1 | Low | 126 Ų | 126 | 97.9 Ų | 97.9 | 59% | 0.589 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -96.6 | 4.6 | -174.5 | -105.3 | -163 | 82.7 | 0 | 0 | 115.3 | R68 | E24-R68 PolarHBondContact O-NH2 3.02Å; E24-R68 IonicContact OE1-NE 3.27Å; E24-R68 IonicContact OE1-NH2 3.57Å |
| 25 | D | 59.6 | Low | 67.6 | Low | 76 Ų | 76 | 94.4 Ų | 94.4 | 41% | 0.406 | 56% | 0.557 | S | S | . | * | trans | -88.5 | -1 | 179.5 | -71.7 | -76.2 | 0 | 0 | 0 | 114.1 | V27 S71 V74 | D25-V27 PolarHBondContact O-N 3.47Å; D25-S71 VanDerWaalsContact OD1-CB 3.24Å; D25-S71 WeakPolarHBondContact OD1-CB 3.49Å; D25-S71 PolarHBondContact OD1-OG 3.2Å; D25-V74 HydrophobicContact CB-CG2 4.06Å; D25-V74 WeakPolarHBondContact O-CG2 3.22Å | ||
| 26 | S | 74 | Confident | 70 | Confident | 95 Ų | 95 | 92 Ų | 92 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | trans | -74.6 | 102.1 | 176.9 | -163.6 | 0 | 0 | 0 | 0 | 109.9 | R68 | S26-R68 PolarHBondContact O-NH1 2.97Š| ||
| 27 | V | 86.9 | Confident | 72.4 | Confident | 16 Ų | 16 | 85.9 Ų | 85.9 | 10% | 0.097 | 50% | 0.502 | C | S | . | . | trans | -88.3 | 125.9 | 170.2 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | D25 W29 V33 F62 V70 V74 | D25-V27 PolarHBondContact O-N 3.47Å; V27-W29 HydrophobicContact CB-CZ2 4.45Å; V27-W29 HydrophobicContact CG1-CD2 4.16Å; V27-W29 HydrophobicContact CG1-CE3 4.38Å; V27-W29 HydrophobicContact CG1-CH2 4.45Å; V27-W29 HydrophobicContact CG1-CZ2 4.23Å; V27-W29 PolarHBondContact O-N 3.39Å; V27-V33 HydrophobicContact CG1-CG1 3.98Å; V27-F62 HydrophobicContact CG1-CZ 4.45Å; V27-V70 HydrophobicContact CG2-CB 4.37Å; V27-V70 HydrophobicContact CG2-CG1 3.72Å; V27-V70 HydrophobicContact CG2-CG2 3.7Å; V27-V74 HydrophobicContact CB-CG1 4.06Å; V27-V74 HydrophobicContact CG2-CG1 3.91Å | ||
| 28 | V | 90.9 | Very high | 75.1 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 72% | 0.715 | 49% | 0.486 | S | S | * | . | trans | -80.7 | 109.4 | 171.7 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | S30 | V28-S30 VanDerWaalsContact C-N 3.32Å; V28-S30 PolarHBondContact O-N 3.1Å | ||
| 29 | W | 93.1 | Very high | 77.3 | Confident | 66 Ų | 66 | 84.3 Ų | 84.3 | 25% | 0.25 | 48% | 0.478 | C | S | . | . | trans | -77.4 | 79.7 | 178.8 | -64.5 | 108.7 | 0 | 0 | 0 | 111.3 | V27 V33 E34 L37 F62 V74 H78 | V27-W29 HydrophobicContact CB-CZ2 4.45Å; V27-W29 HydrophobicContact CG1-CD2 4.16Å; V27-W29 HydrophobicContact CG1-CE3 4.38Å; V27-W29 HydrophobicContact CG1-CH2 4.45Å; V27-W29 HydrophobicContact CG1-CZ2 4.23Å; V27-W29 PolarHBondContact O-N 3.39Å; W29-V33 HydrophobicContact CE3-CG1 3.88Å; W29-V33 HydrophobicContact CZ3-CG1 4.01Å; W29-E34 HydrophobicContact CE3-CG 4.04Å; W29-L37 HydrophobicContact CH2-CD2 3.86Å; W29-L37 HydrophobicContact CZ3-CB 4.23Å; W29-L37 HydrophobicContact CZ3-CD2 3.7Å; W29-F62 HydrophobicContact CH2-CE1 4.14Å; W29-F62 AromaticContact CH2-CZ 3.91Å; W29-F62 HydrophobicContact CH2-CZ 3.91Å; W29-F62 HydrophobicContact CZ3-CE1 4.46Å; W29-F62 HydrophobicContact CZ3-CE2 4.36Å; W29-F62 AromaticContact CZ3-CZ 3.77Å; W29-F62 HydrophobicContact CZ3-CZ 3.77Å; W29-V74 HydrophobicContact CZ2-CG1 3.95Å; W29-H78 AromaticContact CD1-CE1 3.81Å; W29-H78 AromaticContact CD1-CG 3.88Å; W29-H78 AromaticContact CD1-ND1 3.43Å; W29-H78 HydrophobicContact CD2-CB 4.13Å; W29-H78 AromaticContact CD2-CD2 3.36Å; W29-H78 AromaticContact CD2-CE1 3.68Å; W29-H78 AromaticContact CD2-CG 3.42Å; W29-H78 VanDerWaalsContact CD2-CG 3.42Å; W29-H78 AromaticContact CD2-ND1 3.64Å; W29-H78 AromaticContact CD2-NE2 3.52Å; W29-H78 AromaticContact CE2-CD2 3.58Å; W29-H78 AromaticContact CE2-CG 3.21Å; W29-H78 AromaticContact CE2-ND1 3.66Å; W29-H78 AromaticContact CE3-CD2 3.35Å; W29-H78 AromaticContact CE3-CG 3.9Å; W29-H78 AromaticContact CE3-NE2 3.55Å; W29-H78 AromaticContact CG-CE1 3.44Å; W29-H78 VanDerWaalsContact CG-CE1 3.44Å; W29-H78 AromaticContact CG-CG 3.85Å; W29-H78 AromaticContact CG-ND1 3.51Å; W29-H78 AromaticContact CG-NE2 3.75Å; W29-H78 HydrophobicContact CH2-CB 3.96Å; W29-H78 AromaticContact CH2-CD2 3.77Å; W29-H78 HydrophobicContact CZ2-CB 3.28Å; W29-H78 AromaticContact CZ2-CD2 3.77Å; W29-H78 AromaticContact CZ2-CG 3.53Å; W29-H78 AromaticContact CZ3-CD2 3.56Å; W29-H78 AromaticContact NE1-CG 3.51Å; W29-H78 AromaticContact NE1-ND1 3.51Å | ||
| 30 | S | 93.8 | Very high | 79.9 | Confident | 45 Ų | 45 | 80.9 Ų | 80.9 | 32% | 0.315 | 45% | 0.45 | S | S | . | . | trans | -81.7 | 157 | 164 | 73.5 | 0 | 0 | 0 | 0 | 110 | V28 E32 V33 E34 | V28-S30 VanDerWaalsContact C-N 3.32Å; V28-S30 PolarHBondContact O-N 3.1Å; S30-E32 PolarHBondContact O-N 2.96Å; S30-E32 VanDerWaalsContact O-N 3.1Å; S30-V33 WeakPolarHBondContact O-CB 3.35Å; S30-V33 PolarHBondContact O-N 3.47Å; S30-V33 WeakPolarHBondContact OG-CG2 3.46Å; S30-V33 PolarHBondContact OG-N 3.34Å; S30-E34 PolarHBondContact O-N 3.15Å | ||
| 31 | H | 94.4 | Very high | 82.2 | Confident | 158 Ų | 158 | 75 Ų | 75 | 73% | 0.731 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -53.2 | -33.6 | 175.6 | -54.6 | 89.1 | 0 | 0 | 0 | 112.5 | E34 V35 | H31-E34 PolarHBondContact O-N 3.1Å; H31-V35 VanDerWaalsContact O-CG2 3.22Å; H31-V35 WeakPolarHBondContact O-CG2 3.45Å; H31-V35 PolarHBondContact O-N 2.8Å |
| 32 | E | 94.7 | Very high | 84.7 | Confident | 157 Ų | 157 | 75.6 Ų | 75.6 | 73% | 0.734 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 177 | -62 | 175.9 | 177.1 | 0 | 0 | 111.7 | S30 V35 C36 | S30-E32 PolarHBondContact O-N 2.96Å; S30-E32 VanDerWaalsContact O-N 3.1Å; E32-V35 PolarHBondContact O-N 3.02Å; E32-C36 PolarHBondContact O-N 2.69Å; E32-C36 VanDerWaalsContact O-N 3.1Å; E32-C36 PolarHBondContact O-SG 3.27Å |
| 33 | V | 94.6 | Very high | 87 | Confident | 30 Ų | 30 | 73 Ų | 73 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 176.3 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | V27 W29 S30 V35 C36 L37 F62 I66 | V27-V33 HydrophobicContact CG1-CG1 3.98Å; W29-V33 HydrophobicContact CE3-CG1 3.88Å; W29-V33 HydrophobicContact CZ3-CG1 4.01Å; S30-V33 WeakPolarHBondContact O-CB 3.35Å; S30-V33 PolarHBondContact O-N 3.47Å; S30-V33 WeakPolarHBondContact OG-CG2 3.46Å; S30-V33 PolarHBondContact OG-N 3.34Å; V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 PolarHBondContact O-N 3.47Å; V33-C36 WeakPolarHBondContact O-CB 3.38Å; V33-C36 PolarHBondContact O-N 2.99Å; V33-C36 VanDerWaalsContact O-N 3.15Å; V33-L37 PolarHBondContact O-N 3.48Å; V33-F62 HydrophobicContact CG1-CE2 3.84Å; V33-F62 HydrophobicContact CG1-CZ 3.54Å; V33-F62 WeakPolarHBondContact O-CE2 3.4Å; V33-I66 HydrophobicContact CG1-CG2 4.46Å |
| 34 | E | 95.1 | Very high | 89.4 | Confident | 37 Ų | 37 | 72 Ų | 72 | 17% | 0.173 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 175 | -68.3 | -174 | 143.2 | 0 | 0 | 112 | W29 S30 H31 C36 L37 F38 H78 | W29-E34 HydrophobicContact CE3-CG 4.04Å; S30-E34 PolarHBondContact O-N 3.15Å; H31-E34 PolarHBondContact O-N 3.1Å; E34-C36 VanDerWaalsContact C-N 3.28Å; E34-C36 PolarHBondContact O-N 3.37Å; E34-L37 WeakPolarHBondContact O-CA 3.4Å; E34-L37 WeakPolarHBondContact O-CB 3.48Å; E34-L37 PolarHBondContact O-N 3.39Å; E34-L37 VanDerWaalsContact O-N 3.08Å; E34-F38 HydrophobicContact CB-CD2 4.42Å; E34-F38 HydrophobicContact CB-CE2 3.87Å; E34-F38 HydrophobicContact CB-CZ 4.39Å; E34-F38 WeakPolarHBondContact O-CD2 3.45Å; E34-F38 VanDerWaalsContact O-CG 3.31Å; E34-F38 WeakPolarHBondContact O-CG 3.09Å; E34-F38 PolarHBondContact O-N 3.41Å; E34-H78 IonicContact OE1-CE1 2.78Å; E34-H78 PolarHBondContact OE1-CE1 2.9Å; E34-H78 VanDerWaalsContact OE1-CE1 3.27Å; E34-H78 IonicContact OE1-NE2 3.9Å; E34-H78 PolarHBondContact OE1-NE2 2.94Å |
| 35 | V | 95.8 | Very high | 91.5 | Very high | 99 Ų | 99 | 71 Ų | 71 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.7 | -42.2 | 172.9 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | H31 E32 V33 L37 F38 H39 | H31-V35 VanDerWaalsContact O-CG2 3.22Å; H31-V35 WeakPolarHBondContact O-CG2 3.45Å; H31-V35 PolarHBondContact O-N 2.8Å; E32-V35 PolarHBondContact O-N 3.02Å; V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 PolarHBondContact O-N 3.47Å; V35-L37 VanDerWaalsContact C-N 3.33Å; V35-L37 PolarHBondContact O-N 3.4Å; V35-F38 PolarHBondContact O-N 3.08Å; V35-H39 WeakPolarHBondContact O-CB 3.43Å; V35-H39 PolarHBondContact O-N 3.21Å |
| 36 | C | 95.8 | Very high | 93.1 | Very high | 38 Ų | 38 | 68.2 Ų | 68.2 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 173.8 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | E32 V33 E34 A40 F62 N65 I66 | E32-C36 PolarHBondContact O-N 2.69Å; E32-C36 VanDerWaalsContact O-N 3.1Å; E32-C36 PolarHBondContact O-SG 3.27Å; V33-C36 WeakPolarHBondContact O-CB 3.38Å; V33-C36 PolarHBondContact O-N 2.99Å; V33-C36 VanDerWaalsContact O-N 3.15Å; E34-C36 VanDerWaalsContact C-N 3.28Å; E34-C36 PolarHBondContact O-N 3.37Å; C36-A40 WeakPolarHBondContact O-CB 3.48Å; C36-A40 PolarHBondContact O-N 3.19Å; C36-F62 HydrophobicContact CB-CD2 4.36Å; C36-F62 HydrophobicContact CB-CE2 4.25Å; C36-N65 HydrophobicContact CB-CB 4.03Å; C36-N65 PolarHBondContact O-ND2 3.3Å; C36-I66 HydrophobicContact CB-CG2 4.19Å |
| 37 | L | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.1 | -50.8 | 175 | 174.1 | 63.6 | 0 | 0 | 0 | 111 | W29 V33 E34 V35 H39 A40 M41 I58 F62 I75 L79 | W29-L37 HydrophobicContact CH2-CD2 3.86Å; W29-L37 HydrophobicContact CZ3-CB 4.23Å; W29-L37 HydrophobicContact CZ3-CD2 3.7Å; V33-L37 PolarHBondContact O-N 3.48Å; E34-L37 WeakPolarHBondContact O-CA 3.4Å; E34-L37 WeakPolarHBondContact O-CB 3.48Å; E34-L37 PolarHBondContact O-N 3.39Å; E34-L37 VanDerWaalsContact O-N 3.08Å; V35-L37 VanDerWaalsContact C-N 3.33Å; V35-L37 PolarHBondContact O-N 3.4Å; L37-H39 VanDerWaalsContact C-N 3.25Å; L37-H39 PolarHBondContact O-N 3.09Å; L37-A40 CarbonylContact O-C 3.6Å; L37-A40 WeakPolarHBondContact O-CA 3.47Å; L37-A40 WeakPolarHBondContact O-CB 3.21Å; L37-A40 PolarHBondContact O-N 3.02Å; L37-M41 HydrophobicContact CD1-CG 4.24Å; L37-M41 HydrophobicContact CD1-SD 4.14Å; L37-M41 HydrophobicContact CD2-SD 4.45Å; L37-M41 HydrophobicContact CG-CG 4.47Å; L37-M41 HydrophobicContact CG-SD 3.93Å; L37-M41 WeakPolarHBondContact O-CG 3.06Å; L37-M41 PolarHBondContact O-N 2.84Å; L37-I58 HydrophobicContact CD1-CG2 3.94Å; L37-F62 HydrophobicContact CB-CD2 3.89Å; L37-F62 HydrophobicContact CB-CE2 3.75Å; L37-F62 HydrophobicContact CD1-CD2 4.27Å; L37-F62 HydrophobicContact CD1-CG 4.36Å; L37-I75 HydrophobicContact CD1-CG2 3.67Å; L37-L79 HydrophobicContact CD2-CD2 4.25Å |
| 38 | F | 95.4 | Very high | 94.2 | Very high | 74 Ų | 74 | 64 Ų | 64 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | -179.9 | -61.2 | -44.2 | 0 | 0 | 0 | 111.8 | E34 V35 M41 I42 M82 Y83 | E34-F38 HydrophobicContact CB-CD2 4.42Å; E34-F38 HydrophobicContact CB-CE2 3.87Å; E34-F38 HydrophobicContact CB-CZ 4.39Å; E34-F38 WeakPolarHBondContact O-CD2 3.45Å; E34-F38 VanDerWaalsContact O-CG 3.31Å; E34-F38 WeakPolarHBondContact O-CG 3.09Å; E34-F38 PolarHBondContact O-N 3.41Å; V35-F38 PolarHBondContact O-N 3.08Å; F38-M41 HydrophobicContact CD1-SD 4.26Å; F38-M41 PolarHBondContact O-N 3.05Å; F38-I42 WeakPolarHBondContact O-CG1 3.31Å; F38-I42 PolarHBondContact O-N 3.46Å; F38-M82 HydrophobicContact CE1-CE 4.02Å; F38-M82 HydrophobicContact CZ-CE 3.88Å; F38-M82 HydrophobicContact CZ-SD 4.15Å; F38-Y83 HydrophobicContact CE1-CE2 4.47Å |
| 39 | H | 95.9 | Very high | 94.1 | Very high | 120 Ų | 120 | 61.7 Ų | 61.7 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 172.9 | -164.3 | 81.4 | 0 | 0 | 0 | 112.1 | V35 L37 M41 I42 | V35-H39 WeakPolarHBondContact O-CB 3.43Å; V35-H39 PolarHBondContact O-N 3.21Å; L37-H39 VanDerWaalsContact C-N 3.25Å; L37-H39 PolarHBondContact O-N 3.09Å; H39-M41 VanDerWaalsContact C-N 3.26Å; H39-M41 PolarHBondContact O-N 3.35Å; H39-I42 PolarHBondContact O-N 3.08Å |
| 40 | A | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -29.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C36 L37 I42 H44 I58 K61 F62 | C36-A40 WeakPolarHBondContact O-CB 3.48Å; C36-A40 PolarHBondContact O-N 3.19Å; L37-A40 CarbonylContact O-C 3.6Å; L37-A40 WeakPolarHBondContact O-CA 3.47Å; L37-A40 WeakPolarHBondContact O-CB 3.21Å; L37-A40 PolarHBondContact O-N 3.02Å; A40-I42 VanDerWaalsContact C-N 3.34Å; A40-H44 PolarHBondContact O-CD2 3.47Å; A40-I58 HydrophobicContact CB-CG2 4.44Å; A40-K61 HydrophobicContact CB-CB 3.72Å; A40-F62 HydrophobicContact CB-CB 4.08Å |
| 41 | M | 95.3 | Very high | 94.1 | Very high | 33 Ų | 33 | 64.2 Ų | 64.2 | 16% | 0.163 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -77.5 | -12.6 | 177.8 | -69.5 | 175.3 | 62.6 | 0 | 0 | 114.3 | L37 F38 H39 G43 H44 P46 I58 L79 | L37-M41 HydrophobicContact CD1-CG 4.24Å; L37-M41 HydrophobicContact CD1-SD 4.14Å; L37-M41 HydrophobicContact CD2-SD 4.45Å; L37-M41 HydrophobicContact CG-CG 4.47Å; L37-M41 HydrophobicContact CG-SD 3.93Å; L37-M41 WeakPolarHBondContact O-CG 3.06Å; L37-M41 PolarHBondContact O-N 2.84Å; F38-M41 HydrophobicContact CD1-SD 4.26Å; F38-M41 PolarHBondContact O-N 3.05Å; H39-M41 VanDerWaalsContact C-N 3.26Å; H39-M41 PolarHBondContact O-N 3.35Å; M41-G43 PolarHBondContact O-N 2.96Å; M41-H44 PolarHBondContact O-N 3.06Å; M41-P46 HydrophobicContact CE-CG 3.81Å; M41-I58 HydrophobicContact CG-CD1 4.08Å; M41-I58 HydrophobicContact CG-CG1 4.24Å; M41-I58 HydrophobicContact CG-CG2 3.88Å; M41-L79 HydrophobicContact CE-CD1 4.25Å; M41-L79 HydrophobicContact CE-CD2 3.87Å; M41-L79 HydrophobicContact SD-CD1 4.3Å; M41-L79 HydrophobicContact SD-CD2 3.74Å |
| 42 | I | 94.2 | Very high | 94.2 | Very high | 112 Ų | 112 | 61.6 Ų | 61.6 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 118.6 | 178.3 | -61.7 | 174.3 | 0 | 0 | 0 | 109.5 | F38 H39 A40 H44 | F38-I42 WeakPolarHBondContact O-CG1 3.31Å; F38-I42 PolarHBondContact O-N 3.46Å; H39-I42 PolarHBondContact O-N 3.08Å; A40-I42 VanDerWaalsContact C-N 3.34Å; I42-H44 VanDerWaalsContact C-N 3.32Å; I42-H44 PolarHBondContact O-CD2 2.98Å |
| 43 | G | 92.1 | Very high | 94.2 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 78% | 0.784 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 2.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | M41 | M41-G43 PolarHBondContact O-N 2.96Š|
| 44 | H | 95.1 | Very high | 94.3 | Very high | 37 Ų | 37 | 61.9 Ų | 61.9 | 17% | 0.171 | 32% | 0.324 | C | S | . | . | trans | -121.2 | 134.1 | 176.3 | -59.8 | -82.2 | 0 | 0 | 0 | 110.5 | A40 M41 I42 H54 C57 I58 K61 | A40-H44 PolarHBondContact O-CD2 3.47Å; M41-H44 PolarHBondContact O-N 3.06Å; I42-H44 VanDerWaalsContact C-N 3.32Å; I42-H44 PolarHBondContact O-CD2 2.98Å; H44-H54 HydrophobicContact CB-CB 4.33Å; H44-H54 AromaticContact ND1-ND1 3.8Å; H44-C57 WeakPolarHBondContact CE1-CB 3.43Å; H44-C57 WeakPolarHBondContact ND1-CB 3.27Å; H44-I58 HydrophobicContact CB-CD1 3.71Å; H44-I58 HydrophobicContact CB-CG1 3.49Å; H44-I58 VanDerWaalsContact CB-CG1 3.49Å; H44-K61 PolarHBondContact NE2-NZ 3.36Å | ||
| 45 | K | 93.1 | Very high | 94.3 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 46% | 0.457 | 32% | 0.316 | S | S | . | . | trans | -102.5 | 115.9 | 177.1 | -73.2 | -179.6 | 175.1 | 173.3 | 0 | 110.2 | V47 H54 E92 | K45-V47 PolarHBondContact O-N 3.32Å; K45-V47 VanDerWaalsContact O-N 3.17Å; K45-H54 WeakPolarHBondContact O-CB 3.42Å; K45-H54 PolarHBondContact O-CD2 2.7Å; K45-E92 WeakPolarHBondContact CD-OE1 2.97Å; K45-E92 IonicContact NZ-OE1 2.81Å; K45-E92 PolarHBondContact NZ-OE1 3.29Å | ||
| 46 | P | 92.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -73.6 | -0.8 | 179.8 | 33.4 | -39 | 0 | 0 | 0 | 113.7 | M41 R51 M55 I58 W76 L79 M85 | M41-P46 HydrophobicContact CE-CG 3.81Å; P46-R51 WeakPolarHBondContact O-CB 3.39Å; P46-M55 HydrophobicContact CB-CE 3.89Å; P46-I58 HydrophobicContact CB-CD1 4.1Å; P46-W76 PolarHBondContact O-NE1 3.25Å; P46-L79 HydrophobicContact CB-CD1 3.77Å; P46-L79 HydrophobicContact CG-CD1 4Å; P46-M85 HydrophobicContact CB-CE 4.22Å; P46-M85 HydrophobicContact CG-CE 4.3Å |
| 47 | V | 93.4 | Very high | 94.3 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -122 | 172.8 | 177.8 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | K45 M85 L88 H89 E92 | K45-V47 PolarHBondContact O-N 3.32Å; K45-V47 VanDerWaalsContact O-N 3.17Å; V47-M85 HydrophobicContact CG1-CE 3.42Å; V47-M85 VanDerWaalsContact CG1-CE 3.42Å; V47-M85 HydrophobicContact CG1-SD 4.11Å; V47-L88 HydrophobicContact CG1-CB 4.06Å; V47-L88 HydrophobicContact CG2-CB 4.18Å; V47-H89 HydrophobicContact CB-CB 4.25Å; V47-H89 HydrophobicContact CG1-CB 4.44Å; V47-E92 VanDerWaalsContact C-OE2 3.25Å; V47-E92 VanDerWaalsContact O-OE2 3.06Å |
| 48 | G | 91.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 99.4 | -175.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N50 R51 H89 E92 | G48-N50 PolarHBondContact O-N 3.4Å; G48-R51 WeakPolarHBondContact O-CB 3.49Å; G48-R51 VanDerWaalsContact O-CG 3.3Å; G48-R51 WeakPolarHBondContact O-CG 3.39Å; G48-R51 PolarHBondContact O-N 2.8Å; G48-H89 WeakPolarHBondContact CA-ND1 3.02Å; G48-H89 PolarHBondContact N-ND1 3.29Å; G48-H89 VanDerWaalsContact N-ND1 3.12Å; G48-H89 PolarHBondContact O-CE1 2.81Å; G48-E92 WeakPolarHBondContact CA-OE2 3.5Å; G48-E92 PolarHBondContact N-OE2 3.35Å |
| 49 | V | 89.8 | Confident | 94.4 | Very high | 68 Ų | 68 | 59.2 Ų | 59.2 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -36.7 | 176.1 | -86.1 | 0 | 0 | 0 | 0 | 112.8 | L94 F96 | V49-L94 HydrophobicContact CB-CD2 4.29Å; V49-L94 HydrophobicContact CG1-CD2 3.31Å; V49-L94 HydrophobicContact CG2-CD2 3.98Å; V49-F96 HydrophobicContact CG1-CZ 4.41Å; V49-F96 HydrophobicContact CG2-CE1 4.5Å |
| 50 | N | 92.5 | Very high | 94.4 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 18.8 | -177.7 | -66 | -32.3 | 0 | 0 | 0 | 113.4 | G48 H52 F53 H54 | G48-N50 PolarHBondContact O-N 3.4Å; N50-H52 PolarHBondContact O-N 2.72Å; N50-H52 VanDerWaalsContact O-N 3.08Å; N50-F53 HydrophobicContact CB-CD2 4.38Å; N50-F53 PolarHBondContact O-N 3.41Å; N50-H54 PolarHBondContact O-CD2 3.02Å; N50-H54 VanDerWaalsContact O-CD2 3.29Å; N50-H54 PolarHBondContact O-N 2.86Å |
| 51 | R | 94.1 | Very high | 94.4 | Very high | 88 Ų | 88 | 60.3 Ų | 60.3 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -50.1 | -39.1 | -174.6 | 60.5 | -175.3 | -97.1 | -153.3 | -5.3 | 114.1 | P46 G48 M55 | P46-R51 WeakPolarHBondContact O-CB 3.39Å; G48-R51 WeakPolarHBondContact O-CB 3.49Å; G48-R51 VanDerWaalsContact O-CG 3.3Å; G48-R51 WeakPolarHBondContact O-CG 3.39Å; G48-R51 PolarHBondContact O-N 2.8Å; R51-M55 WeakPolarHBondContact O-CB 3.23Å; R51-M55 PolarHBondContact O-N 3.19Å |
| 52 | H | 96.1 | Very high | 94.4 | Very high | 103 Ų | 103 | 58.8 Ų | 58.8 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.5 | -41.7 | -177.9 | -63.3 | -72.5 | 0 | 0 | 0 | 112 | N50 M55 I56 W76 | N50-H52 PolarHBondContact O-N 2.72Å; N50-H52 VanDerWaalsContact O-N 3.08Å; H52-M55 PolarHBondContact O-N 2.87Å; H52-I56 WeakPolarHBondContact O-CG1 3.28Å; H52-I56 PolarHBondContact O-N 2.94Å; H52-W76 AromaticContact CE1-CH2 3.95Å; H52-W76 AromaticContact ND1-CH2 3.29Å; H52-W76 VanDerWaalsContact ND1-CH2 3.29Å; H52-W76 WeakPolarHBondContact ND1-CH2 3.48Å; H52-W76 AromaticContact ND1-CZ2 3.92Å |
| 53 | F | 95.8 | Very high | 94.4 | Very high | 142 Ų | 142 | 53.8 Ų | 53.8 | 62% | 0.623 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.3 | -45.4 | 177.1 | -63.3 | -67.6 | 0 | 0 | 0 | 111.5 | N50 M55 I56 C57 | N50-F53 HydrophobicContact CB-CD2 4.38Å; N50-F53 PolarHBondContact O-N 3.41Å; F53-M55 VanDerWaalsContact C-N 3.29Å; F53-M55 PolarHBondContact O-N 2.84Å; F53-I56 PolarHBondContact O-N 3.44Å; F53-C57 PolarHBondContact O-N 3.13Å; F53-C57 PolarHBondContact O-SG 3.28Å; F53-C57 VanDerWaalsContact O-SG 3.39Å |
| 54 | H | 95.7 | Very high | 94.5 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 174.9 | -73.5 | -64 | 0 | 0 | 0 | 111.7 | H44 K45 N50 I56 C57 I58 | H44-H54 HydrophobicContact CB-CB 4.33Å; H44-H54 AromaticContact ND1-ND1 3.8Å; K45-H54 WeakPolarHBondContact O-CB 3.42Å; K45-H54 PolarHBondContact O-CD2 2.7Å; N50-H54 PolarHBondContact O-CD2 3.02Å; N50-H54 VanDerWaalsContact O-CD2 3.29Å; N50-H54 PolarHBondContact O-N 2.86Å; H54-I56 VanDerWaalsContact C-N 3.33Å; H54-I56 PolarHBondContact O-N 3.03Å; H54-C57 WeakPolarHBondContact O-CB 3.19Å; H54-C57 PolarHBondContact O-N 3.12Å; H54-I58 VanDerWaalsContact O-CG1 3.26Å; H54-I58 WeakPolarHBondContact O-CG1 3.1Å; H54-I58 PolarHBondContact O-N 3.41Å |
| 55 | M | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 177.3 | -175.5 | 53.2 | 73.1 | 0 | 0 | 112.7 | P46 R51 H52 F53 C57 I58 R59 I75 W76 L79 | P46-M55 HydrophobicContact CB-CE 3.89Å; R51-M55 WeakPolarHBondContact O-CB 3.23Å; R51-M55 PolarHBondContact O-N 3.19Å; H52-M55 PolarHBondContact O-N 2.87Å; F53-M55 VanDerWaalsContact C-N 3.29Å; F53-M55 PolarHBondContact O-N 2.84Å; M55-C57 VanDerWaalsContact C-N 3.34Å; M55-I58 PolarHBondContact O-N 3.37Å; M55-I58 HydrophobicContact SD-CB 4.35Å; M55-I58 HydrophobicContact SD-CG2 4.47Å; M55-R59 VanDerWaalsContact O-CB 3.24Å; M55-R59 WeakPolarHBondContact O-CB 3.24Å; M55-R59 PolarHBondContact O-N 3.2Å; M55-I75 HydrophobicContact CE-CB 4.36Å; M55-I75 HydrophobicContact CE-CG2 3.85Å; M55-I75 HydrophobicContact SD-CB 3.95Å; M55-I75 HydrophobicContact SD-CD1 4.31Å; M55-I75 HydrophobicContact SD-CG2 3.72Å; M55-W76 HydrophobicContact CB-CH2 3.6Å; M55-W76 HydrophobicContact CB-CZ2 3.37Å; M55-W76 HydrophobicContact CB-CZ3 4.38Å; M55-W76 VanDerWaalsContact CE-CD1 3.41Å; M55-W76 HydrophobicContact CE-CD2 3.76Å; M55-W76 HydrophobicContact CE-CG 3.7Å; M55-W76 HydrophobicContact CE-CZ2 4.19Å; M55-W76 VanDerWaalsContact CE-NE1 3.28Å; M55-W76 HydrophobicContact CG-CD2 4.02Å; M55-W76 HydrophobicContact CG-CE3 4.06Å; M55-W76 HydrophobicContact CG-CH2 3.58Å; M55-W76 HydrophobicContact CG-CZ2 3.56Å; M55-W76 HydrophobicContact CG-CZ3 3.85Å; M55-L79 HydrophobicContact CE-CD1 4.09Å |
| 56 | I | 95.4 | Very high | 94.2 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 172.4 | -67.6 | 161.4 | 0 | 0 | 0 | 110 | H52 F53 H54 I58 R59 D60 | H52-I56 WeakPolarHBondContact O-CG1 3.28Å; H52-I56 PolarHBondContact O-N 2.94Å; F53-I56 PolarHBondContact O-N 3.44Å; H54-I56 VanDerWaalsContact C-N 3.33Å; H54-I56 PolarHBondContact O-N 3.03Å; I56-I58 PolarHBondContact O-N 2.81Å; I56-R59 PolarHBondContact O-N 3.08Å; I56-D60 WeakPolarHBondContact O-CB 3.49Å; I56-D60 VanDerWaalsContact O-CG 3.27Å; I56-D60 PolarHBondContact O-N 3.23Å |
| 57 | C | 95.9 | Very high | 94 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 177.5 | -58.9 | 0 | 0 | 0 | 0 | 113 | H44 F53 H54 M55 K61 | H44-C57 WeakPolarHBondContact CE1-CB 3.43Å; H44-C57 WeakPolarHBondContact ND1-CB 3.27Å; F53-C57 PolarHBondContact O-N 3.13Å; F53-C57 PolarHBondContact O-SG 3.28Å; F53-C57 VanDerWaalsContact O-SG 3.39Å; H54-C57 WeakPolarHBondContact O-CB 3.19Å; H54-C57 PolarHBondContact O-N 3.12Å; M55-C57 VanDerWaalsContact C-N 3.34Å; C57-K61 WeakPolarHBondContact O-CB 3.34Å; C57-K61 PolarHBondContact O-N 2.94Å; C57-K61 VanDerWaalsContact O-N 3.09Å |
| 58 | I | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 177.6 | -67.4 | 162.1 | 0 | 0 | 0 | 109.6 | L37 A40 M41 H44 P46 H54 M55 I56 D60 K61 F62 I75 | L37-I58 HydrophobicContact CD1-CG2 3.94Å; A40-I58 HydrophobicContact CB-CG2 4.44Å; M41-I58 HydrophobicContact CG-CD1 4.08Å; M41-I58 HydrophobicContact CG-CG1 4.24Å; M41-I58 HydrophobicContact CG-CG2 3.88Å; H44-I58 HydrophobicContact CB-CD1 3.71Å; H44-I58 HydrophobicContact CB-CG1 3.49Å; H44-I58 VanDerWaalsContact CB-CG1 3.49Å; P46-I58 HydrophobicContact CB-CD1 4.1Å; H54-I58 VanDerWaalsContact O-CG1 3.26Å; H54-I58 WeakPolarHBondContact O-CG1 3.1Å; H54-I58 PolarHBondContact O-N 3.41Å; M55-I58 PolarHBondContact O-N 3.37Å; M55-I58 HydrophobicContact SD-CB 4.35Å; M55-I58 HydrophobicContact SD-CG2 4.47Å; I56-I58 PolarHBondContact O-N 2.81Å; I58-D60 PolarHBondContact O-N 3.41Å; I58-K61 PolarHBondContact O-N 3.29Å; I58-F62 WeakPolarHBondContact O-CB 3.33Å; I58-F62 PolarHBondContact O-N 3.26Å; I58-I75 HydrophobicContact CG2-CG2 4.38Å |
| 59 | R | 96 | Very high | 93.9 | Very high | 68 Ų | 68 | 69.1 Ų | 69.1 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.3 | -51.1 | 177.2 | -177.9 | -157.7 | 65.7 | -155.2 | 6.4 | 110.8 | M55 I56 K61 F62 S63 V70 S72 I75 | M55-R59 VanDerWaalsContact O-CB 3.24Å; M55-R59 WeakPolarHBondContact O-CB 3.24Å; M55-R59 PolarHBondContact O-N 3.2Å; I56-R59 PolarHBondContact O-N 3.08Å; R59-K61 VanDerWaalsContact C-N 3.35Å; R59-K61 PolarHBondContact O-N 3.2Å; R59-F62 PolarHBondContact O-N 2.8Å; R59-S63 WeakPolarHBondContact O-CB 3.48Å; R59-S63 PolarHBondContact O-N 3.24Å; R59-S63 PolarHBondContact O-OG 3.09Å; R59-S63 VanDerWaalsContact O-OG 3.08Å; R59-V70 WeakPolarHBondContact CD-O 3.44Å; R59-V70 WeakPolarHBondContact CG-O 3.3Å; R59-S72 WeakPolarHBondContact CD-OG 3.29Å; R59-I75 HydrophobicContact CB-CD1 3.96Å; R59-I75 HydrophobicContact CG-CD1 4.23Å |
| 60 | D | 95.5 | Very high | 94 | Very high | 57 Ų | 57 | 66.1 Ų | 66.1 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | -175.7 | -69.9 | -11 | 0 | 0 | 0 | 111.8 | I56 I58 Q64 | I56-D60 WeakPolarHBondContact O-CB 3.49Å; I56-D60 VanDerWaalsContact O-CG 3.27Å; I56-D60 PolarHBondContact O-N 3.23Å; I58-D60 PolarHBondContact O-N 3.41Å; D60-Q64 VanDerWaalsContact O-CG 3.23Å; D60-Q64 WeakPolarHBondContact O-CG 3.18Å; D60-Q64 PolarHBondContact O-N 3.31Å; D60-Q64 PolarHBondContact O-NE2 3.03Å; D60-Q64 VanDerWaalsContact O-NE2 3.14Å |
| 61 | K | 95.9 | Very high | 94 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 38% | 0.378 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 173.5 | -80.7 | -178.4 | 172.7 | 175.9 | 0 | 112.4 | A40 H44 C57 I58 R59 Q64 N65 | A40-K61 HydrophobicContact CB-CB 3.72Å; H44-K61 PolarHBondContact NE2-NZ 3.36Å; C57-K61 WeakPolarHBondContact O-CB 3.34Å; C57-K61 PolarHBondContact O-N 2.94Å; C57-K61 VanDerWaalsContact O-N 3.09Å; I58-K61 PolarHBondContact O-N 3.29Å; R59-K61 VanDerWaalsContact C-N 3.35Å; R59-K61 PolarHBondContact O-N 3.2Å; K61-Q64 PolarHBondContact O-N 2.8Å; K61-N65 VanDerWaalsContact O-CG 3.26Å; K61-N65 PolarHBondContact O-N 3.19Å |
| 62 | F | 96 | Very high | 94 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.2 | -46 | -179.8 | 178.9 | -115.8 | 0 | 0 | 0 | 111.2 | V27 W29 V33 C36 L37 A40 I58 R59 Q64 N65 I66 V70 I75 | V27-F62 HydrophobicContact CG1-CZ 4.45Å; W29-F62 HydrophobicContact CH2-CE1 4.14Å; W29-F62 AromaticContact CH2-CZ 3.91Å; W29-F62 HydrophobicContact CH2-CZ 3.91Å; W29-F62 HydrophobicContact CZ3-CE1 4.46Å; W29-F62 HydrophobicContact CZ3-CE2 4.36Å; W29-F62 AromaticContact CZ3-CZ 3.77Å; W29-F62 HydrophobicContact CZ3-CZ 3.77Å; V33-F62 HydrophobicContact CG1-CE2 3.84Å; V33-F62 HydrophobicContact CG1-CZ 3.54Å; V33-F62 WeakPolarHBondContact O-CE2 3.4Å; C36-F62 HydrophobicContact CB-CD2 4.36Å; C36-F62 HydrophobicContact CB-CE2 4.25Å; L37-F62 HydrophobicContact CB-CD2 3.89Å; L37-F62 HydrophobicContact CB-CE2 3.75Å; L37-F62 HydrophobicContact CD1-CD2 4.27Å; L37-F62 HydrophobicContact CD1-CG 4.36Å; A40-F62 HydrophobicContact CB-CB 4.08Å; I58-F62 WeakPolarHBondContact O-CB 3.33Å; I58-F62 PolarHBondContact O-N 3.26Å; R59-F62 PolarHBondContact O-N 2.8Å; F62-Q64 VanDerWaalsContact C-N 3.26Å; F62-Q64 PolarHBondContact O-N 3.39Å; F62-N65 PolarHBondContact O-N 3.34Å; F62-N65 VanDerWaalsContact O-N 3.08Å; F62-I66 HydrophobicContact CD1-CD1 4.35Å; F62-I66 HydrophobicContact CD2-CG2 4.22Å; F62-I66 HydrophobicContact CE1-CD1 3.86Å; F62-I66 HydrophobicContact CE2-CG2 3.77Å; F62-I66 HydrophobicContact CZ-CD1 4.03Å; F62-I66 HydrophobicContact CZ-CG2 4.08Å; F62-I66 WeakPolarHBondContact O-CG1 3.5Å; F62-I66 PolarHBondContact O-N 3.29Å; F62-V70 HydrophobicContact CD1-CB 4.18Å; F62-V70 HydrophobicContact CD1-CG1 4.34Å; F62-V70 HydrophobicContact CD1-CG2 4.15Å; F62-V70 HydrophobicContact CE1-CB 4.2Å; F62-V70 HydrophobicContact CE1-CG1 4.1Å; F62-V70 HydrophobicContact CE1-CG2 3.88Å; F62-I75 HydrophobicContact CB-CD1 4.46Å; F62-I75 HydrophobicContact CD1-CD1 3.9Å; F62-I75 HydrophobicContact CD1-CG1 4.24Å; F62-I75 HydrophobicContact CG-CD1 4.49Å |
| 63 | S | 94.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.8 | -38.8 | 175.6 | -67.9 | 0 | 0 | 0 | 0 | 112.2 | R59 G67 R68 Q69 V70 | R59-S63 WeakPolarHBondContact O-CB 3.48Å; R59-S63 PolarHBondContact O-N 3.24Å; R59-S63 PolarHBondContact O-OG 3.09Å; R59-S63 VanDerWaalsContact O-OG 3.08Å; S63-G67 WeakPolarHBondContact O-CA 3.23Å; S63-G67 PolarHBondContact O-N 3.32Å; S63-R68 CarbonylContact C-O 3.57Å; S63-R68 WeakPolarHBondContact CA-O 3.46Å; S63-R68 WeakPolarHBondContact CB-O 3.46Å; S63-R68 PolarHBondContact O-N 2.98Å; S63-R68 VanDerWaalsContact O-N 3.09Å; S63-R68 PolarHBondContact OG-O 2.75Å; S63-Q69 PolarHBondContact OG-OE1 3.14Å; S63-V70 PolarHBondContact OG-N 3.17Å |
| 64 | Q | 93.6 | Very high | 93.9 | Very high | 148 Ų | 148 | 53.2 Ų | 53.2 | 69% | 0.692 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.8 | -43.1 | 174.4 | -73.2 | 167.5 | 46.5 | 0 | 0 | 112.2 | D60 K61 F62 I66 G67 | D60-Q64 VanDerWaalsContact O-CG 3.23Å; D60-Q64 WeakPolarHBondContact O-CG 3.18Å; D60-Q64 PolarHBondContact O-N 3.31Å; D60-Q64 PolarHBondContact O-NE2 3.03Å; D60-Q64 VanDerWaalsContact O-NE2 3.14Å; K61-Q64 PolarHBondContact O-N 2.8Å; F62-Q64 VanDerWaalsContact C-N 3.26Å; F62-Q64 PolarHBondContact O-N 3.39Å; Q64-I66 PolarHBondContact O-N 2.94Å; Q64-G67 PolarHBondContact O-N 3.37Å |
| 65 | N | 92.9 | Very high | 93.8 | Very high | 78 Ų | 78 | 50.8 Ų | 50.8 | 42% | 0.417 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | -178.3 | -72.5 | -14 | 0 | 0 | 0 | 112.7 | C36 K61 F62 | C36-N65 HydrophobicContact CB-CB 4.03Å; C36-N65 PolarHBondContact O-ND2 3.3Å; K61-N65 VanDerWaalsContact O-CG 3.26Å; K61-N65 PolarHBondContact O-N 3.19Å; F62-N65 PolarHBondContact O-N 3.34Å; F62-N65 VanDerWaalsContact O-N 3.08Å |
| 66 | I | 89.9 | Confident | 93.8 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -93.1 | -6.2 | -179.9 | 72.5 | 172.9 | 0 | 0 | 0 | 113.2 | V33 C36 F62 Q64 R68 V70 | V33-I66 HydrophobicContact CG1-CG2 4.46Å; C36-I66 HydrophobicContact CB-CG2 4.19Å; F62-I66 HydrophobicContact CD1-CD1 4.35Å; F62-I66 HydrophobicContact CD2-CG2 4.22Å; F62-I66 HydrophobicContact CE1-CD1 3.86Å; F62-I66 HydrophobicContact CE2-CG2 3.77Å; F62-I66 HydrophobicContact CZ-CD1 4.03Å; F62-I66 HydrophobicContact CZ-CG2 4.08Å; F62-I66 WeakPolarHBondContact O-CG1 3.5Å; F62-I66 PolarHBondContact O-N 3.29Å; Q64-I66 PolarHBondContact O-N 2.94Å; I66-R68 VanDerWaalsContact C-N 3.28Å; I66-R68 HydrophobicContact CD1-CB 4.06Å; I66-R68 HydrophobicContact CG1-CB 4Å; I66-R68 PolarHBondContact O-N 3.06Å; I66-V70 HydrophobicContact CD1-CG2 3.44Å; I66-V70 VanDerWaalsContact CD1-CG2 3.44Å |
| 67 | G | 88.9 | Confident | 93.8 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 73% | 0.732 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 21.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S63 Q64 | S63-G67 WeakPolarHBondContact O-CA 3.23Å; S63-G67 PolarHBondContact O-N 3.32Å; Q64-G67 PolarHBondContact O-N 3.37Å |
| 68 | R | 90.4 | Very high | 93.8 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 33% | 0.328 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -140.2 | 141.5 | -176 | -171.4 | -168.2 | -170 | -167.5 | 7.8 | 109.9 | E24 S26 S63 I66 | E24-R68 PolarHBondContact O-NH2 3.02Å; E24-R68 IonicContact OE1-NE 3.27Å; E24-R68 IonicContact OE1-NH2 3.57Å; S26-R68 PolarHBondContact O-NH1 2.97Å; S63-R68 CarbonylContact C-O 3.57Å; S63-R68 WeakPolarHBondContact CA-O 3.46Å; S63-R68 WeakPolarHBondContact CB-O 3.46Å; S63-R68 PolarHBondContact O-N 2.98Å; S63-R68 VanDerWaalsContact O-N 3.09Å; S63-R68 PolarHBondContact OG-O 2.75Å; I66-R68 VanDerWaalsContact C-N 3.28Å; I66-R68 HydrophobicContact CD1-CB 4.06Å; I66-R68 HydrophobicContact CG1-CB 4Å; I66-R68 PolarHBondContact O-N 3.06Å |
| 69 | Q | 90.5 | Very high | 93.8 | Very high | 144 Ų | 144 | 53.7 Ų | 53.7 | 67% | 0.673 | 28% | 0.284 | S | S | * | . | trans | -70.8 | 133.1 | 170.8 | -75.3 | -67.5 | 4.1 | 0 | 0 | 111.4 | S63 | S63-Q69 PolarHBondContact OG-OE1 3.14Š| ||
| 70 | V | 91.7 | Very high | 93.7 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | trans | -127.6 | 138.7 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 109 | V27 R59 F62 S63 I66 V74 I75 | V27-V70 HydrophobicContact CG2-CB 4.37Å; V27-V70 HydrophobicContact CG2-CG1 3.72Å; V27-V70 HydrophobicContact CG2-CG2 3.7Å; R59-V70 WeakPolarHBondContact CD-O 3.44Å; R59-V70 WeakPolarHBondContact CG-O 3.3Å; F62-V70 HydrophobicContact CD1-CB 4.18Å; F62-V70 HydrophobicContact CD1-CG1 4.34Å; F62-V70 HydrophobicContact CD1-CG2 4.15Å; F62-V70 HydrophobicContact CE1-CB 4.2Å; F62-V70 HydrophobicContact CE1-CG1 4.1Å; F62-V70 HydrophobicContact CE1-CG2 3.88Å; S63-V70 PolarHBondContact OG-N 3.17Å; I66-V70 HydrophobicContact CD1-CG2 3.44Å; I66-V70 VanDerWaalsContact CD1-CG2 3.44Å; V70-V74 HydrophobicContact CG1-CB 4.12Å; V70-V74 HydrophobicContact CG1-CG1 4.19Å; V70-I75 HydrophobicContact CG1-CG1 4.14Å | ||
| 71 | S | 93.9 | Very high | 93.7 | Very high | 30 Ų | 30 | 55 Ų | 55 | 21% | 0.21 | 31% | 0.31 | C | S | . | . | trans | -72.2 | 146.1 | 174 | 49.9 | 0 | 0 | 0 | 0 | 112.1 | D25 S73 V74 | D25-S71 VanDerWaalsContact OD1-CB 3.24Å; D25-S71 WeakPolarHBondContact OD1-CB 3.49Å; D25-S71 PolarHBondContact OD1-OG 3.2Å; S71-S73 PolarHBondContact O-N 3.39Å; S71-S73 PolarHBondContact OG-OG 2.98Å; S71-V74 PolarHBondContact O-N 3.17Å; S71-V74 VanDerWaalsContact OG-CG2 3.23Å; S71-V74 WeakPolarHBondContact OG-CG2 3.45Å | ||
| 72 | S | 94.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -29 | 177.9 | -62.3 | 0 | 0 | 0 | 0 | 113 | R59 I75 W76 | R59-S72 WeakPolarHBondContact CD-OG 3.29Å; S72-I75 PolarHBondContact O-N 2.83Å; S72-W76 PolarHBondContact O-N 3.38Å; S72-W76 VanDerWaalsContact O-N 3.12Å |
| 73 | S | 93.9 | Very high | 93.5 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 44% | 0.441 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 177.4 | 46.1 | 0 | 0 | 0 | 0 | 111.6 | S71 I75 W76 D77 | S71-S73 PolarHBondContact O-N 3.39Å; S71-S73 PolarHBondContact OG-OG 2.98Å; S73-I75 VanDerWaalsContact C-N 3.26Å; S73-I75 PolarHBondContact O-N 3.08Å; S73-W76 PolarHBondContact O-N 3.02Å; S73-W76 VanDerWaalsContact O-N 3.13Å; S73-D77 WeakPolarHBondContact O-CB 3.26Å; S73-D77 PolarHBondContact O-N 3.45Å |
| 74 | V | 94.5 | Very high | 93.6 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 14% | 0.139 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.9 | -37.2 | -179.7 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | D25 V27 W29 V70 S71 H78 | D25-V74 HydrophobicContact CB-CG2 4.06Å; D25-V74 WeakPolarHBondContact O-CG2 3.22Å; V27-V74 HydrophobicContact CB-CG1 4.06Å; V27-V74 HydrophobicContact CG2-CG1 3.91Å; W29-V74 HydrophobicContact CZ2-CG1 3.95Å; V70-V74 HydrophobicContact CG1-CB 4.12Å; V70-V74 HydrophobicContact CG1-CG1 4.19Å; S71-V74 PolarHBondContact O-N 3.17Å; S71-V74 VanDerWaalsContact OG-CG2 3.23Å; S71-V74 WeakPolarHBondContact OG-CG2 3.45Å; V74-H78 WeakPolarHBondContact O-CB 3.46Å; V74-H78 PolarHBondContact O-N 3.38Å |
| 75 | I | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.6 | -45.9 | 176.4 | -58.5 | 174.3 | 0 | 0 | 0 | 110.6 | L37 M55 I58 R59 F62 V70 S72 S73 H78 L79 | L37-I75 HydrophobicContact CD1-CG2 3.67Å; M55-I75 HydrophobicContact CE-CB 4.36Å; M55-I75 HydrophobicContact CE-CG2 3.85Å; M55-I75 HydrophobicContact SD-CB 3.95Å; M55-I75 HydrophobicContact SD-CD1 4.31Å; M55-I75 HydrophobicContact SD-CG2 3.72Å; I58-I75 HydrophobicContact CG2-CG2 4.38Å; R59-I75 HydrophobicContact CB-CD1 3.96Å; R59-I75 HydrophobicContact CG-CD1 4.23Å; F62-I75 HydrophobicContact CB-CD1 4.46Å; F62-I75 HydrophobicContact CD1-CD1 3.9Å; F62-I75 HydrophobicContact CD1-CG1 4.24Å; F62-I75 HydrophobicContact CG-CD1 4.49Å; V70-I75 HydrophobicContact CG1-CG1 4.14Å; S72-I75 PolarHBondContact O-N 2.83Å; S73-I75 VanDerWaalsContact C-N 3.26Å; S73-I75 PolarHBondContact O-N 3.08Å; I75-H78 PolarHBondContact O-N 3.33Å; I75-L79 HydrophobicContact CG2-CD1 4.02Å; I75-L79 HydrophobicContact CG2-CG 4.42Å; I75-L79 WeakPolarHBondContact O-CB 3.24Å; I75-L79 VanDerWaalsContact O-CG 3.27Å; I75-L79 WeakPolarHBondContact O-CG 3.21Å; I75-L79 PolarHBondContact O-N 2.93Å |
| 76 | W | 95.8 | Very high | 93.6 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 21% | 0.205 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.6 | -92.1 | -47.8 | 0 | 0 | 0 | 112.5 | P46 H52 M55 S72 S73 H78 L79 G80 | P46-W76 PolarHBondContact O-NE1 3.25Å; H52-W76 AromaticContact CE1-CH2 3.95Å; H52-W76 AromaticContact ND1-CH2 3.29Å; H52-W76 VanDerWaalsContact ND1-CH2 3.29Å; H52-W76 WeakPolarHBondContact ND1-CH2 3.48Å; H52-W76 AromaticContact ND1-CZ2 3.92Å; M55-W76 HydrophobicContact CB-CH2 3.6Å; M55-W76 HydrophobicContact CB-CZ2 3.37Å; M55-W76 HydrophobicContact CB-CZ3 4.38Å; M55-W76 VanDerWaalsContact CE-CD1 3.41Å; M55-W76 HydrophobicContact CE-CD2 3.76Å; M55-W76 HydrophobicContact CE-CG 3.7Å; M55-W76 HydrophobicContact CE-CZ2 4.19Å; M55-W76 VanDerWaalsContact CE-NE1 3.28Å; M55-W76 HydrophobicContact CG-CD2 4.02Å; M55-W76 HydrophobicContact CG-CE3 4.06Å; M55-W76 HydrophobicContact CG-CH2 3.58Å; M55-W76 HydrophobicContact CG-CZ2 3.56Å; M55-W76 HydrophobicContact CG-CZ3 3.85Å; S72-W76 PolarHBondContact O-N 3.38Å; S72-W76 VanDerWaalsContact O-N 3.12Å; S73-W76 PolarHBondContact O-N 3.02Å; S73-W76 VanDerWaalsContact O-N 3.13Å; W76-H78 VanDerWaalsContact C-N 3.35Å; W76-L79 PolarHBondContact O-N 3.44Å; W76-G80 PolarHBondContact O-N 2.88Å |
| 77 | D | 95.5 | Very high | 93.7 | Very high | 112 Ų | 112 | 60 Ų | 60 | 60% | 0.599 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.8 | -47.4 | 178.5 | -70.1 | -15.9 | 0 | 0 | 0 | 109.9 | S73 G80 T81 | S73-D77 WeakPolarHBondContact O-CB 3.26Å; S73-D77 PolarHBondContact O-N 3.45Å; D77-G80 PolarHBondContact O-N 3.17Å; D77-T81 WeakPolarHBondContact O-CG2 3.5Å; D77-T81 PolarHBondContact O-N 3.19Å |
| 78 | H | 95.5 | Very high | 93.9 | Very high | 18 Ų | 18 | 60 Ų | 60 | 8% | 0.083 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 177.2 | -168.7 | 55.3 | 0 | 0 | 0 | 112.7 | W29 E34 V74 I75 W76 G80 T81 M82 | W29-H78 AromaticContact CD1-CE1 3.81Å; W29-H78 AromaticContact CD1-CG 3.88Å; W29-H78 AromaticContact CD1-ND1 3.43Å; W29-H78 HydrophobicContact CD2-CB 4.13Å; W29-H78 AromaticContact CD2-CD2 3.36Å; W29-H78 AromaticContact CD2-CE1 3.68Å; W29-H78 AromaticContact CD2-CG 3.42Å; W29-H78 VanDerWaalsContact CD2-CG 3.42Å; W29-H78 AromaticContact CD2-ND1 3.64Å; W29-H78 AromaticContact CD2-NE2 3.52Å; W29-H78 AromaticContact CE2-CD2 3.58Å; W29-H78 AromaticContact CE2-CG 3.21Å; W29-H78 AromaticContact CE2-ND1 3.66Å; W29-H78 AromaticContact CE3-CD2 3.35Å; W29-H78 AromaticContact CE3-CG 3.9Å; W29-H78 AromaticContact CE3-NE2 3.55Å; W29-H78 AromaticContact CG-CE1 3.44Å; W29-H78 VanDerWaalsContact CG-CE1 3.44Å; W29-H78 AromaticContact CG-CG 3.85Å; W29-H78 AromaticContact CG-ND1 3.51Å; W29-H78 AromaticContact CG-NE2 3.75Å; W29-H78 HydrophobicContact CH2-CB 3.96Å; W29-H78 AromaticContact CH2-CD2 3.77Å; W29-H78 HydrophobicContact CZ2-CB 3.28Å; W29-H78 AromaticContact CZ2-CD2 3.77Å; W29-H78 AromaticContact CZ2-CG 3.53Å; W29-H78 AromaticContact CZ3-CD2 3.56Å; W29-H78 AromaticContact NE1-CG 3.51Å; W29-H78 AromaticContact NE1-ND1 3.51Å; E34-H78 IonicContact OE1-CE1 2.78Å; E34-H78 PolarHBondContact OE1-CE1 2.9Å; E34-H78 VanDerWaalsContact OE1-CE1 3.27Å; E34-H78 IonicContact OE1-NE2 3.9Å; E34-H78 PolarHBondContact OE1-NE2 2.94Å; V74-H78 WeakPolarHBondContact O-CB 3.46Å; V74-H78 PolarHBondContact O-N 3.38Å; I75-H78 PolarHBondContact O-N 3.33Å; W76-H78 VanDerWaalsContact C-N 3.35Å; H78-G80 PolarHBondContact O-N 3.42Å; H78-T81 WeakPolarHBondContact O-CB 3.39Å; H78-T81 PolarHBondContact O-N 3.03Å; H78-T81 PolarHBondContact O-OG1 2.78Å; H78-M82 WeakPolarHBondContact NE2-CE 3.29Å; H78-M82 PolarHBondContact O-N 3.04Å |
| 79 | L | 95.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.1 | -36.5 | 175 | -72.5 | 174 | 0 | 0 | 0 | 111.9 | L37 M41 P46 M55 I75 W76 T81 M82 Y83 M85 | L37-L79 HydrophobicContact CD2-CD2 4.25Å; M41-L79 HydrophobicContact CE-CD1 4.25Å; M41-L79 HydrophobicContact CE-CD2 3.87Å; M41-L79 HydrophobicContact SD-CD1 4.3Å; M41-L79 HydrophobicContact SD-CD2 3.74Å; P46-L79 HydrophobicContact CB-CD1 3.77Å; P46-L79 HydrophobicContact CG-CD1 4Å; M55-L79 HydrophobicContact CE-CD1 4.09Å; I75-L79 HydrophobicContact CG2-CD1 4.02Å; I75-L79 HydrophobicContact CG2-CG 4.42Å; I75-L79 WeakPolarHBondContact O-CB 3.24Å; I75-L79 VanDerWaalsContact O-CG 3.27Å; I75-L79 WeakPolarHBondContact O-CG 3.21Å; I75-L79 PolarHBondContact O-N 2.93Å; W76-L79 PolarHBondContact O-N 3.44Å; L79-T81 PolarHBondContact O-N 3.48Å; L79-M82 HydrophobicContact CD2-CE 4.36Å; L79-M82 PolarHBondContact O-N 3.13Å; L79-Y83 HydrophobicContact CD2-CD2 4.02Å; L79-Y83 HydrophobicContact CD2-CE2 3.99Å; L79-Y83 WeakPolarHBondContact O-CB 3.31Å; L79-Y83 PolarHBondContact O-N 3.46Å; L79-M85 HydrophobicContact CB-CE 4.4Å; L79-M85 HydrophobicContact CB-SD 4.02Å |
| 80 | G | 95.4 | Very high | 93.8 | Very high | 44 Ų | 44 | 58.8 Ų | 58.8 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.9 | -20.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | W76 D77 H78 | W76-G80 PolarHBondContact O-N 2.88Å; D77-G80 PolarHBondContact O-N 3.17Å; H78-G80 PolarHBondContact O-N 3.42Å |
| 81 | T | 95 | Very high | 93.6 | Very high | 107 Ų | 107 | 62.4 Ų | 62.4 | 66% | 0.656 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -77.7 | -27.8 | 172.6 | 73 | 0 | 0 | 0 | 0 | 112.9 | D77 H78 L79 | D77-T81 WeakPolarHBondContact O-CG2 3.5Å; D77-T81 PolarHBondContact O-N 3.19Å; H78-T81 WeakPolarHBondContact O-CB 3.39Å; H78-T81 PolarHBondContact O-N 3.03Å; H78-T81 PolarHBondContact O-OG1 2.78Å; L79-T81 PolarHBondContact O-N 3.48Å |
| 82 | M | 93.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 63 Ų | 63 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -100.3 | -27.9 | -176.2 | -65.3 | -170.3 | -69.7 | 0 | 0 | 113.4 | F38 H78 L79 | F38-M82 HydrophobicContact CE1-CE 4.02Å; F38-M82 HydrophobicContact CZ-CE 3.88Å; F38-M82 HydrophobicContact CZ-SD 4.15Å; H78-M82 WeakPolarHBondContact NE2-CE 3.29Å; H78-M82 PolarHBondContact O-N 3.04Å; L79-M82 HydrophobicContact CD2-CE 4.36Å; L79-M82 PolarHBondContact O-N 3.13Å |
| 83 | Y | 94.5 | Very high | 92.8 | Very high | 106 Ų | 106 | 68.7 Ų | 68.7 | 42% | 0.416 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -131 | 147 | -173.5 | -58.1 | -75.2 | 0 | 0 | 0 | 112 | F38 L79 M85 L88 | F38-Y83 HydrophobicContact CE1-CE2 4.47Å; L79-Y83 HydrophobicContact CD2-CD2 4.02Å; L79-Y83 HydrophobicContact CD2-CE2 3.99Å; L79-Y83 WeakPolarHBondContact O-CB 3.31Å; L79-Y83 PolarHBondContact O-N 3.46Å; Y83-M85 PolarHBondContact O-N 3.36Å; Y83-L88 HydrophobicContact CG-CD1 4.39Å |
| 84 | D | 95.3 | Very high | 92 | Very high | 106 Ų | 106 | 68.7 Ų | 68.7 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | trans | -75.3 | 91.4 | 165.2 | -171.5 | -20.8 | 0 | 0 | 0 | 109.7 | Q86 A87 L88 | D84-Q86 VanDerWaalsContact C-N 3.27Å; D84-Q86 PolarHBondContact O-N 3.38Å; D84-Q86 PolarHBondContact OD1-N 3.36Å; D84-A87 HydrophobicContact CB-CB 4.09Å; D84-A87 VanDerWaalsContact CG-CB 3.5Å; D84-A87 PolarHBondContact OD1-N 2.81Å; D84-L88 WeakPolarHBondContact O-CB 3.34Å; D84-L88 VanDerWaalsContact O-CG 3.3Å; D84-L88 WeakPolarHBondContact O-CG 3.34Å; D84-L88 PolarHBondContact O-N 3.08Å; D84-L88 VanDerWaalsContact O-N 3.08Å | ||
| 85 | M | 93.5 | Very high | 91.2 | Very high | 38 Ų | 38 | 72.6 Ų | 72.6 | 19% | 0.187 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.9 | -29 | -177.5 | -67 | -62 | -72.7 | 0 | 0 | 113 | P46 V47 L79 Y83 H89 | P46-M85 HydrophobicContact CB-CE 4.22Å; P46-M85 HydrophobicContact CG-CE 4.3Å; V47-M85 HydrophobicContact CG1-CE 3.42Å; V47-M85 VanDerWaalsContact CG1-CE 3.42Å; V47-M85 HydrophobicContact CG1-SD 4.11Å; L79-M85 HydrophobicContact CB-CE 4.4Å; L79-M85 HydrophobicContact CB-SD 4.02Å; Y83-M85 PolarHBondContact O-N 3.36Å; M85-H89 VanDerWaalsContact O-CB 3.29Å; M85-H89 WeakPolarHBondContact O-CB 3.31Å; M85-H89 PolarHBondContact O-N 2.97Å |
| 86 | Q | 92.5 | Very high | 90.6 | Very high | 111 Ų | 111 | 77.7 Ų | 77.7 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.9 | -50.4 | 179.5 | -176.7 | 64.1 | 32.7 | 0 | 0 | 110 | D84 L88 H89 E90 | D84-Q86 VanDerWaalsContact C-N 3.27Å; D84-Q86 PolarHBondContact O-N 3.38Å; D84-Q86 PolarHBondContact OD1-N 3.36Å; Q86-L88 VanDerWaalsContact C-N 3.28Å; Q86-L88 PolarHBondContact O-N 3.42Å; Q86-H89 WeakPolarHBondContact O-CB 3.38Å; Q86-H89 PolarHBondContact O-N 3.44Å; Q86-H89 VanDerWaalsContact O-N 3.13Å; Q86-E90 PolarHBondContact NE2-OE1 3.47Å; Q86-E90 PolarHBondContact O-N 3.39Å |
| 87 | A | 93.3 | Very high | 89.9 | Confident | 48 Ų | 48 | 81 Ų | 81 | 40% | 0.397 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D84 E90 S91 | D84-A87 HydrophobicContact CB-CB 4.09Å; D84-A87 VanDerWaalsContact CG-CB 3.5Å; D84-A87 PolarHBondContact OD1-N 2.81Å; A87-E90 PolarHBondContact O-N 3.12Å; A87-S91 VanDerWaalsContact O-CB 3.31Å; A87-S91 WeakPolarHBondContact O-CB 2.88Å; A87-S91 PolarHBondContact O-N 3.06Å; A87-S91 PolarHBondContact O-OG 3.21Å |
| 88 | L | 93 | Very high | 89.3 | Confident | 71 Ų | 71 | 81.1 Ų | 81.1 | 37% | 0.372 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 175.6 | -75 | 172.3 | 0 | 0 | 0 | 112.3 | V47 Y83 D84 Q86 S91 E92 | V47-L88 HydrophobicContact CG1-CB 4.06Å; V47-L88 HydrophobicContact CG2-CB 4.18Å; Y83-L88 HydrophobicContact CG-CD1 4.39Å; D84-L88 WeakPolarHBondContact O-CB 3.34Å; D84-L88 VanDerWaalsContact O-CG 3.3Å; D84-L88 WeakPolarHBondContact O-CG 3.34Å; D84-L88 PolarHBondContact O-N 3.08Å; D84-L88 VanDerWaalsContact O-N 3.08Å; Q86-L88 VanDerWaalsContact C-N 3.28Å; Q86-L88 PolarHBondContact O-N 3.42Å; L88-S91 WeakPolarHBondContact CA-OG 3.3Å; L88-S91 PolarHBondContact O-N 3.39Å; L88-S91 PolarHBondContact O-OG 3.19Å; L88-E92 PolarHBondContact O-N 3.07Å |
| 89 | H | 90.6 | Very high | 88.9 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 30% | 0.301 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 178.1 | -177 | 37.6 | 0 | 0 | 0 | 112.9 | V47 G48 M85 Q86 | V47-H89 HydrophobicContact CB-CB 4.25Å; V47-H89 HydrophobicContact CG1-CB 4.44Å; G48-H89 WeakPolarHBondContact CA-ND1 3.02Å; G48-H89 PolarHBondContact N-ND1 3.29Å; G48-H89 VanDerWaalsContact N-ND1 3.12Å; G48-H89 PolarHBondContact O-CE1 2.81Å; M85-H89 VanDerWaalsContact O-CB 3.29Å; M85-H89 WeakPolarHBondContact O-CB 3.31Å; M85-H89 PolarHBondContact O-N 2.97Å; Q86-H89 WeakPolarHBondContact O-CB 3.38Å; Q86-H89 PolarHBondContact O-N 3.44Å; Q86-H89 VanDerWaalsContact O-N 3.13Å |
| 90 | E | 88.6 | Confident | 88.5 | Confident | 141 Ų | 141 | 94.3 Ų | 94.3 | 66% | 0.659 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.2 | -30.6 | 178.1 | -69.2 | 177.5 | -170.2 | 0 | 0 | 112.7 | Q86 A87 E92 | Q86-E90 PolarHBondContact NE2-OE1 3.47Å; Q86-E90 PolarHBondContact O-N 3.39Å; A87-E90 PolarHBondContact O-N 3.12Å; E90-E92 PolarHBondContact O-N 3.29Å |
| 91 | S | 87.7 | Confident | 88.2 | Confident | 82 Ų | 82 | 100.1 Ų | 100.1 | 57% | 0.573 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.4 | -15.3 | 178.6 | 75.6 | 0 | 0 | 0 | 0 | 113.9 | A87 L88 I93 | A87-S91 VanDerWaalsContact O-CB 3.31Å; A87-S91 WeakPolarHBondContact O-CB 2.88Å; A87-S91 PolarHBondContact O-N 3.06Å; A87-S91 PolarHBondContact O-OG 3.21Å; L88-S91 WeakPolarHBondContact CA-OG 3.3Å; L88-S91 PolarHBondContact O-N 3.39Å; L88-S91 PolarHBondContact O-OG 3.19Å; S91-I93 PolarHBondContact O-N 3.46Å |
| 92 | E | 88.1 | Confident | 88.1 | Confident | 42 Ų | 42 | 100.4 Ų | 100.4 | 20% | 0.196 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -73 | 122.1 | -175.7 | -176 | 159.9 | -161.9 | 0 | 0 | 111.6 | K45 V47 G48 L88 E90 L94 | K45-E92 WeakPolarHBondContact CD-OE1 2.97Å; K45-E92 IonicContact NZ-OE1 2.81Å; K45-E92 PolarHBondContact NZ-OE1 3.29Å; V47-E92 VanDerWaalsContact C-OE2 3.25Å; V47-E92 VanDerWaalsContact O-OE2 3.06Å; G48-E92 WeakPolarHBondContact CA-OE2 3.5Å; G48-E92 PolarHBondContact N-OE2 3.35Å; L88-E92 PolarHBondContact O-N 3.07Å; E90-E92 PolarHBondContact O-N 3.29Å; E92-L94 PolarHBondContact O-N 3.42Å |
| 93 | I | 81.6 | Confident | 88 | Confident | 142 Ų | 142 | 105.9 Ų | 105.9 | 73% | 0.728 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -67 | 129.4 | 173.7 | 58.4 | 169.7 | 0 | 0 | 0 | 110.5 | S91 | S91-I93 PolarHBondContact O-N 3.46Š|
| 94 | L | 77.8 | Confident | 87.9 | Confident | 62 Ų | 62 | 105.4 Ų | 105.4 | 33% | 0.325 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 129.6 | 174 | -66.5 | 170.5 | 0 | 0 | 0 | 109 | V49 E92 F96 N98 | V49-L94 HydrophobicContact CB-CD2 4.29Å; V49-L94 HydrophobicContact CG1-CD2 3.31Å; V49-L94 HydrophobicContact CG2-CD2 3.98Å; E92-L94 PolarHBondContact O-N 3.42Å; L94-F96 HydrophobicContact CD2-CE1 4.48Å; L94-F96 HydrophobicContact CD2-CZ 4.15Å; L94-F96 PolarHBondContact O-N 3.18Å; L94-N98 HydrophobicContact CB-CB 4.33Å; L94-N98 HydrophobicContact CD1-CB 3.23Å; L94-N98 VanDerWaalsContact CD1-CG 3.41Å; L94-N98 WeakPolarHBondContact CD1-ND2 3.13Å; L94-N98 HydrophobicContact CG-CB 4.39Å |
| 95 | P | 78.5 | Confident | 87.7 | Confident | 106 Ų | 106 | 103.8 Ų | 103.8 | 69% | 0.688 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -72.8 | -6.7 | -178.6 | 29.1 | -33.6 | 0 | 0 | 0 | 112.6 | ||
| 96 | F | 80.9 | Confident | 87.7 | Confident | 107 Ų | 107 | 105.1 Ų | 105.1 | 47% | 0.469 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -122.8 | 156.4 | 176.8 | 54.5 | -94.4 | 0 | 0 | 0 | 110.3 | V49 L94 N98 | V49-F96 HydrophobicContact CG1-CZ 4.41Å; V49-F96 HydrophobicContact CG2-CE1 4.5Å; L94-F96 HydrophobicContact CD2-CE1 4.48Å; L94-F96 HydrophobicContact CD2-CZ 4.15Å; L94-F96 PolarHBondContact O-N 3.18Å; F96-N98 HydrophobicContact CD2-CB 4.47Å; F96-N98 HydrophobicContact CE2-CB 4.24Å; F96-N98 PolarHBondContact O-N 3.43Å; F96-N98 VanDerWaalsContact O-N 3.09Å |
| 97 | P | 82.1 | Confident | 87.7 | Confident | 124 Ų | 124 | 104.5 Ų | 104.5 | 81% | 0.805 | 57% | 0.566 | S | S | * | * | trans | -62.2 | 114.6 | 177.5 | -15.9 | 28.8 | 0 | 0 | 0 | 110.4 | ||||
| 98 | N | 82.7 | Confident | 87.5 | Confident | 113 Ų | 113 | 108.7 Ų | 108.7 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | trans | -115.6 | 66.7 | 175.9 | -171.3 | 48.1 | 0 | 0 | 0 | 110.3 | L94 F96 | L94-N98 HydrophobicContact CB-CB 4.33Å; L94-N98 HydrophobicContact CD1-CB 3.23Å; L94-N98 VanDerWaalsContact CD1-CG 3.41Å; L94-N98 WeakPolarHBondContact CD1-ND2 3.13Å; L94-N98 HydrophobicContact CG-CB 4.39Å; F96-N98 HydrophobicContact CD2-CB 4.47Å; F96-N98 HydrophobicContact CE2-CB 4.24Å; F96-N98 PolarHBondContact O-N 3.43Å; F96-N98 VanDerWaalsContact O-N 3.09Å | ||
| 99 | T | 86.8 | Confident | 87.4 | Confident | 96 Ų | 96 | 108.8 Ų | 108.8 | 59% | 0.589 | 58% | 0.578 | S | S | * | * | trans | -80.5 | 133.3 | 172.7 | 43.2 | 0 | 0 | 0 | 0 | 109.5 | K101 | T99-K101 PolarHBondContact O-N 3.09Å; T99-K101 WeakPolarHBondContact OG1-CE 3.43Å | ||
| 100 | E | 86.8 | Confident | 87.5 | Confident | 200 Ų | 200 | 108 Ų | 108 | 94% | 0.935 | 58% | 0.575 | S | S | * | * | trans | -63.5 | 130.9 | 173.8 | -167.7 | 179.7 | 176.2 | 0 | 0 | 109.7 | ||||
| 101 | K | 89 | Confident | 87.5 | Confident | 167 Ų | 167 | 107 Ų | 107 | 73% | 0.726 | 57% | 0.57 | S | S | * | * | trans | -139.9 | 147.5 | 179.9 | -67.3 | -178.4 | -176.5 | 174.4 | 0 | 109.4 | T99 F103 | T99-K101 PolarHBondContact O-N 3.09Å; T99-K101 WeakPolarHBondContact OG1-CE 3.43Å; K101-F103 PolarHBondContact O-N 3.28Å | ||
| 102 | S | 92.5 | Very high | 87.5 | Confident | 112 Ų | 112 | 109.2 Ų | 109.2 | 78% | 0.783 | 57% | 0.572 | S | S | * | * | trans | -60.4 | 124.8 | 170.2 | 55 | 0 | 0 | 0 | 0 | 109.6 | S104 | S102-S104 PolarHBondContact O-N 3.26Š| ||
| 103 | F | 91.7 | Very high | 87.4 | Confident | 185 Ų | 185 | 112.7 Ų | 112.7 | 81% | 0.811 | 60% | 0.596 | S | S | * | * | trans | -65.5 | 121.2 | 174.7 | 179.2 | -96.5 | 0 | 0 | 0 | 109.8 | K101 L105 | K101-F103 PolarHBondContact O-N 3.28Å; F103-L105 HydrophobicContact CE1-CB 4.43Å; F103-L105 HydrophobicContact CE1-CD1 4.18Å; F103-L105 HydrophobicContact CZ-CD1 3.77Å | ||
| 104 | S | 92.8 | Very high | 87.4 | Confident | 96 Ų | 96 | 114.1 Ų | 114.1 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | trans | -126 | 125.1 | 168.3 | 57.7 | 0 | 0 | 0 | 0 | 108 | S102 | S102-S104 PolarHBondContact O-N 3.26Š| ||
| 105 | L | 91.5 | Very high | 87.3 | Confident | 72 Ų | 72 | 114 Ų | 114 | 38% | 0.377 | 61% | 0.611 | S | S | . | * | trans | -67.6 | 136.6 | 174.3 | -158.6 | 76.6 | 0 | 0 | 0 | 108.8 | F103 E107 I109 I110 | F103-L105 HydrophobicContact CE1-CB 4.43Å; F103-L105 HydrophobicContact CE1-CD1 4.18Å; F103-L105 HydrophobicContact CZ-CD1 3.77Å; L105-E107 PolarHBondContact O-N 3.19Å; L105-I109 HydrophobicContact CD1-CD1 4.28Å; L105-I109 HydrophobicContact CD1-CG2 4.47Å; L105-I109 HydrophobicContact CD2-CB 3.81Å; L105-I109 HydrophobicContact CD2-CG2 3.62Å; L105-I109 HydrophobicContact CG-CB 4.01Å; L105-I109 HydrophobicContact CG-CD1 4.35Å; L105-I109 HydrophobicContact CG-CG2 4.16Å; L105-I110 HydrophobicContact CB-CD1 4.18Å; L105-I110 HydrophobicContact CB-CG1 4.02Å; L105-I110 HydrophobicContact CD2-CG1 3.74Å; L105-I110 HydrophobicContact CG-CG1 4.28Å | ||
| 106 | P | 93.4 | Very high | 86.5 | Confident | 65 Ų | 65 | 112.1 Ų | 112.1 | 42% | 0.422 | 61% | 0.61 | S | S | . | * | trans | -52.8 | 138.4 | 170.5 | -25 | 32.7 | 0 | 0 | 0 | 111.3 | E108 I109 I110 | P106-E108 WeakPolarHBondContact CB-OE2 3.46Å; P106-E108 PolarHBondContact O-N 3.28Å; P106-I109 HydrophobicContact CB-CD1 4.43Å; P106-I109 HydrophobicContact CB-CG1 4.34Å; P106-I109 HydrophobicContact CG-CD1 4.15Å; P106-I109 PolarHBondContact O-N 3.09Å; P106-I109 VanDerWaalsContact O-N 3.09Å; P106-I110 PolarHBondContact O-N 3.48Å | ||
| 107 | E | 91.7 | Very high | 85.5 | Confident | 99 Ų | 99 | 114.6 Ų | 114.6 | 46% | 0.463 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.2 | -28.2 | -174.5 | -174 | 62.3 | -154.4 | 0 | 0 | 111.4 | L105 I109 I110 Q111 | L105-E107 PolarHBondContact O-N 3.19Å; E107-I109 PolarHBondContact O-N 3.24Å; E107-I110 PolarHBondContact O-N 3.45Å; E107-Q111 HydrophobicContact CG-CG 4.34Å; E107-Q111 WeakPolarHBondContact O-CB 3.2Å; E107-Q111 WeakPolarHBondContact O-CG 3.31Å; E107-Q111 PolarHBondContact O-N 3.14Å |
| 108 | E | 90.7 | Very high | 84.1 | Confident | 136 Ų | 136 | 117 Ų | 117 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59 | -45.3 | 175.9 | -59 | 73.3 | -157.1 | 0 | 0 | 111.3 | P106 Q111 E112 | P106-E108 WeakPolarHBondContact CB-OE2 3.46Å; P106-E108 PolarHBondContact O-N 3.28Å; E108-Q111 PolarHBondContact O-N 3.47Å; E108-E112 PolarHBondContact O-N 2.77Å |
| 109 | I | 90.5 | Very high | 82.6 | Confident | 73 Ų | 73 | 114.8 Ų | 114.8 | 37% | 0.374 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.1 | -38.3 | 178.8 | -52.4 | -179.7 | 0 | 0 | 0 | 110.2 | L105 P106 E107 Q111 E112 V113 | L105-I109 HydrophobicContact CD1-CD1 4.28Å; L105-I109 HydrophobicContact CD1-CG2 4.47Å; L105-I109 HydrophobicContact CD2-CB 3.81Å; L105-I109 HydrophobicContact CD2-CG2 3.62Å; L105-I109 HydrophobicContact CG-CB 4.01Å; L105-I109 HydrophobicContact CG-CD1 4.35Å; L105-I109 HydrophobicContact CG-CG2 4.16Å; P106-I109 HydrophobicContact CB-CD1 4.43Å; P106-I109 HydrophobicContact CB-CG1 4.34Å; P106-I109 HydrophobicContact CG-CD1 4.15Å; P106-I109 PolarHBondContact O-N 3.09Å; P106-I109 VanDerWaalsContact O-N 3.09Å; E107-I109 PolarHBondContact O-N 3.24Å; I109-Q111 VanDerWaalsContact C-N 3.32Å; I109-Q111 PolarHBondContact O-N 3.44Å; I109-E112 PolarHBondContact O-N 3.47Å; I109-V113 WeakPolarHBondContact O-CG2 3.34Å; I109-V113 PolarHBondContact O-N 2.94Å |
| 110 | I | 91.9 | Very high | 80.4 | Confident | 47 Ų | 47 | 113.8 Ų | 113.8 | 24% | 0.241 | 63% | 0.627 | C | S | . | * | H | α-helix | trans | -61.2 | -43.8 | 176.3 | -62.2 | 176.1 | 0 | 0 | 0 | 110.3 | L105 P106 E107 K114 | L105-I110 HydrophobicContact CB-CD1 4.18Å; L105-I110 HydrophobicContact CB-CG1 4.02Å; L105-I110 HydrophobicContact CD2-CG1 3.74Å; L105-I110 HydrophobicContact CG-CG1 4.28Å; P106-I110 PolarHBondContact O-N 3.48Å; E107-I110 PolarHBondContact O-N 3.45Å; I110-K114 HydrophobicContact CG2-CD 3.92Å; I110-K114 HydrophobicContact CG2-CG 4.43Å; I110-K114 VanDerWaalsContact O-CB 3.31Å; I110-K114 WeakPolarHBondContact O-CB 3.32Å; I110-K114 WeakPolarHBondContact O-CG 3.45Å; I110-K114 PolarHBondContact O-N 3.21Å |
| 111 | Q | 89.4 | Confident | 78.6 | Confident | 120 Ų | 120 | 113.4 Ų | 113.4 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.6 | -37.2 | -179.7 | -74.2 | 179.6 | 16.3 | 0 | 0 | 112.8 | E107 E108 I109 G115 | E107-Q111 HydrophobicContact CG-CG 4.34Å; E107-Q111 WeakPolarHBondContact O-CB 3.2Å; E107-Q111 WeakPolarHBondContact O-CG 3.31Å; E107-Q111 PolarHBondContact O-N 3.14Å; E108-Q111 PolarHBondContact O-N 3.47Å; I109-Q111 VanDerWaalsContact C-N 3.32Å; I109-Q111 PolarHBondContact O-N 3.44Å; Q111-G115 WeakPolarHBondContact O-CA 3.45Å; Q111-G115 PolarHBondContact O-N 3.16Å |
| 112 | E | 87.2 | Confident | 76.5 | Confident | 129 Ų | 129 | 112.7 Ų | 112.7 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -59.7 | -47.7 | 174.9 | -172.4 | -177.7 | 166.3 | 0 | 0 | 111.5 | E108 I109 G116 | E108-E112 PolarHBondContact O-N 2.77Å; I109-E112 PolarHBondContact O-N 3.47Å; E112-G116 PolarHBondContact O-N 3.45Å |
| 113 | V | 85.2 | Confident | 74.1 | Confident | 115 Ų | 115 | 115.2 Ų | 115.2 | 70% | 0.697 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.3 | -44.8 | 179.7 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | I109 G115 G116 | I109-V113 WeakPolarHBondContact O-CG2 3.34Å; I109-V113 PolarHBondContact O-N 2.94Å; V113-G115 VanDerWaalsContact C-N 3.31Å; V113-G115 PolarHBondContact O-N 3.45Å; V113-G116 PolarHBondContact O-N 3.44Å |
| 114 | K | 82.8 | Confident | 71.9 | Confident | 172 Ų | 172 | 112.9 Ų | 112.9 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68 | -31 | 177.6 | -80.6 | -177.5 | 173.2 | 172.4 | 0 | 112.9 | I110 G116 | I110-K114 HydrophobicContact CG2-CD 3.92Å; I110-K114 HydrophobicContact CG2-CG 4.43Å; I110-K114 VanDerWaalsContact O-CB 3.31Å; I110-K114 WeakPolarHBondContact O-CB 3.32Å; I110-K114 WeakPolarHBondContact O-CG 3.45Å; I110-K114 PolarHBondContact O-N 3.21Å; K114-G116 VanDerWaalsContact C-N 3.26Å; K114-G116 PolarHBondContact O-N 3.3Å |
| 115 | G | 76.1 | Confident | 69.6 | Low | 61 Ų | 61 | 116.5 Ų | 116.5 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -8.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q111 V113 K117 | Q111-G115 WeakPolarHBondContact O-CA 3.45Å; Q111-G115 PolarHBondContact O-N 3.16Å; V113-G115 VanDerWaalsContact C-N 3.31Å; V113-G115 PolarHBondContact O-N 3.45Å; G115-K117 PolarHBondContact O-N 3.02Å; G115-K117 VanDerWaalsContact O-N 3.16Å |
| 116 | G | 60.5 | Low | 67.2 | Low | 65 Ų | 65 | 121.6 Ų | 121.6 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.2 | 19.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E112 V113 K114 L118 | E112-G116 PolarHBondContact O-N 3.45Å; V113-G116 PolarHBondContact O-N 3.44Å; K114-G116 VanDerWaalsContact C-N 3.26Å; K114-G116 PolarHBondContact O-N 3.3Å; G116-L118 PolarHBondContact O-N 3.41Å; G116-L118 VanDerWaalsContact O-N 3.14Å |
| 117 | K | 60.2 | Low | 64.8 | Low | 160 Ų | 160 | 127.7 Ų | 127.7 | 70% | 0.696 | 68% | 0.679 | S | S | * | * | trans | -90.3 | 76.1 | -178.7 | -159.6 | 167.9 | 170.7 | -171.4 | 0 | 109.5 | G115 G119 | G115-K117 PolarHBondContact O-N 3.02Å; G115-K117 VanDerWaalsContact O-N 3.16Å; K117-G119 PolarHBondContact O-N 2.88Å | ||
| 118 | L | 53.2 | Low | 62.4 | Low | 173 Ų | 173 | 130.5 Ų | 130.5 | 91% | 0.906 | 69% | 0.69 | S | S | * | * | trans | -56.9 | 124.3 | 157.3 | -145.3 | 85.4 | 0 | 0 | 0 | 106.1 | G116 S120 | G116-L118 PolarHBondContact O-N 3.41Å; G116-L118 VanDerWaalsContact O-N 3.14Å; L118-S120 PolarHBondContact O-N 3.39Å | ||
| 119 | G | 50.2 | Low | 60.4 | Low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | -41.4 | 131.1 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115 | K117 | K117-G119 PolarHBondContact O-N 2.88Š| ||
| 120 | S | 41.6 | Very low | 58.5 | Low | 74 Ų | 74 | 139 Ų | 139 | 52% | 0.517 | 72% | 0.72 | S | S | . | * | trans | -77.2 | 127.7 | 154.7 | -167.3 | 0 | 0 | 0 | 0 | 106.6 | L118 E122 | L118-S120 PolarHBondContact O-N 3.39Å; S120-E122 PolarHBondContact O-N 2.82Å; S120-E122 PolarHBondContact OG-OE2 3.29Å | ||
| 121 | E | 48.3 | Very low | 56.3 | Low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 30.6 | 179.9 | -62.3 | 178.2 | 101.6 | 0 | 0 | 114 | ||
| 122 | E | 44.2 | Very low | 54.4 | Low | 152 Ų | 152 | 149.2 Ų | 149.2 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -4.5 | -166.1 | -78.2 | -174.8 | 103.9 | 0 | 0 | 116.1 | S120 T124 | S120-E122 PolarHBondContact O-N 2.82Å; S120-E122 PolarHBondContact OG-OE2 3.29Å; E122-T124 VanDerWaalsContact C-N 3.28Å; E122-T124 PolarHBondContact O-N 3.48Å |
| 123 | D | 42.5 | Very low | 52.2 | Low | 166 Ų | 166 | 151.4 Ų | 151.4 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 10.7 | -178.6 | -134.8 | -96.5 | 0 | 0 | 0 | 114.4 | ||
| 124 | T | 45.1 | Very low | 50.8 | Low | 136 Ų | 136 | 151.1 Ų | 151.1 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 7.1 | 179.1 | -31.6 | 0 | 0 | 0 | 0 | 114 | E122 | E122-T124 VanDerWaalsContact C-N 3.28Å; E122-T124 PolarHBondContact O-N 3.48Å |
| 125 | K | 45.4 | Very low | 48.9 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -119.7 | -12.1 | -170.7 | -151.9 | 175.6 | 176.6 | -173.5 | 0 | 116.8 | ||
| 126 | E | 41.3 | Very low | 47.2 | Very low | 178 Ų | 178 | 150.9 Ų | 150.9 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -85.9 | -12.6 | -176.6 | -75.5 | -92.7 | 130 | 0 | 0 | 114.1 | ||
| 127 | E | 43.1 | Very low | 46.5 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -17.9 | 174.9 | -79.5 | -123.6 | 120.1 | 0 | 0 | 114 | R129 | E127-R129 PolarHBondContact O-N 3.47Š|
| 128 | F | 40.7 | Very low | 45.9 | Very low | 158 Ų | 158 | 154.1 Ų | 154.1 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -4.8 | -173.7 | -166.6 | -102.3 | 0 | 0 | 0 | 114.6 | ||
| 129 | R | 49.9 | Very low | 45.7 | Very low | 226 Ų | 226 | 153 Ų | 153 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -106.3 | -14.7 | -172.2 | -93.5 | -170.6 | 176.2 | -135.3 | 0.2 | 116 | E127 | E127-R129 PolarHBondContact O-N 3.47Š|
| 130 | M | 49.1 | Very low | 45.4 | Very low | 163 Ų | 163 | 158 Ų | 158 | 80% | 0.803 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -92.9 | 114.1 | 176.3 | -154.6 | 129.3 | 72 | 0 | 0 | 109.3 | ||
| 131 | E | 45.9 | Very low | 45.6 | Very low | 173 Ų | 173 | 157.9 Ų | 157.9 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | 87 | 43.6 | 162.9 | -43.4 | -149.1 | 109.7 | 0 | 0 | 118.1 | E133 | E131-E133 PolarHBondContact O-N 2.98Š| ||
| 132 | R | 48.8 | Very low | 45.2 | Very low | 208 Ų | 208 | 161.8 Ų | 161.8 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -82.8 | 90.8 | 146 | -173.3 | -173.6 | -96.8 | 153.4 | -9.5 | 108.4 | ||||
| 133 | E | 42.8 | Very low | 45.2 | Very low | 174 Ų | 174 | 162.3 Ų | 162.3 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 145 | 162.5 | -79.8 | -156.5 | 106.6 | 0 | 0 | 111 | E131 | E131-E133 PolarHBondContact O-N 2.98Š|
| 134 | P | 54.8 | Low | 45.4 | Very low | 110 Ų | 110 | 162.1 Ų | 162.1 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80 | 160.4 | -166.7 | 31.4 | -35.1 | 0 | 0 | 0 | 114.7 | ||
| 135 | P | 44 | Very low | 45.4 | Very low | 118 Ų | 118 | 163.6 Ų | 163.6 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 133.9 | -169.1 | 32.7 | -33.7 | 0 | 0 | 0 | 112.8 | ||
| 136 | A | 40.1 | Very low | 45.4 | Very low | 109 Ų | 109 | 163.1 Ų | 163.1 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -91.2 | 102.6 | 160 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 137 | T | 46.1 | Very low | 45.6 | Very low | 125 Ų | 125 | 162.1 Ų | 162.1 | 77% | 0.767 | 82% | 0.819 | S | S | * | * | trans | -81.9 | 127.7 | 166.8 | 48.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 138 | H | 46.4 | Very low | 45.8 | Very low | 168 Ų | 168 | 160.1 Ų | 160.1 | 78% | 0.778 | 81% | 0.813 | S | S | * | * | 174.1 | 121.6 | 116.7 | 95.3 | -76.3 | 0 | 0 | 0 | 106.8 | |||||
| 139 | E | 48.8 | Very low | 46.2 | Very low | 149 Ų | 149 | 160.2 Ų | 160.2 | 70% | 0.696 | 82% | 0.822 | S | S | * | * | 87.3 | 117.3 | 72 | -167.9 | -179.1 | 92 | 0 | 0 | 112.7 | |||||
| 140 | E | 45.2 | Very low | 45.9 | Very low | 175 Ų | 175 | 155.2 Ų | 155.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | 61.5 | 140.4 | 155.7 | -66.6 | -179.6 | 123.1 | 0 | 0 | 118.5 | ||||
| 141 | G | 44.8 | Very low | 45.6 | Very low | 70 Ų | 70 | 154.5 Ų | 154.5 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | cis | 120.3 | 83.6 | 29.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 142 | Q | 39.5 | Very low | 45.6 | Very low | 275 Ų | 275 | 152.8 Ų | 152.8 | 100% | 1.285 | 82% | 0.822 | S | S | * | * | trans | -174 | 0 | 149.6 | -111 | 174.7 | -20.2 | 0 | 0 | 111.6 |
Retrieved 142 of 142 residues in 189.2 ms
(Link to these results)